data_5HCC # _entry.id 5HCC # _audit_conform.dict_name mmcif_pdbx.dic _audit_conform.dict_version 5.279 _audit_conform.dict_location http://mmcif.pdb.org/dictionaries/ascii/mmcif_pdbx.dic # loop_ _database_2.database_id _database_2.database_code PDB 5HCC WWPDB D_1000216794 # _pdbx_database_status.status_code REL _pdbx_database_status.status_code_sf REL _pdbx_database_status.status_code_mr ? _pdbx_database_status.entry_id 5HCC _pdbx_database_status.recvd_initial_deposition_date 2016-01-04 _pdbx_database_status.SG_entry N _pdbx_database_status.deposit_site RCSB _pdbx_database_status.process_site PDBE _pdbx_database_status.status_code_cs ? _pdbx_database_status.methods_development_category ? _pdbx_database_status.pdb_format_compatible Y # loop_ _audit_author.name _audit_author.pdbx_ordinal 'Jore, M.M.' 1 'Johnson, S.' 2 'Lea, S.M.' 3 # _citation.abstract ? _citation.abstract_id_CAS ? _citation.book_id_ISBN ? _citation.book_publisher ? _citation.book_publisher_city ? _citation.book_title ? _citation.coordinate_linkage ? _citation.country US _citation.database_id_Medline ? _citation.details ? _citation.id primary _citation.journal_abbrev Nat.Struct.Mol.Biol. _citation.journal_id_ASTM ? _citation.journal_id_CSD ? _citation.journal_id_ISSN 1545-9985 _citation.journal_full ? _citation.journal_issue ? _citation.journal_volume 23 _citation.language ? _citation.page_first 378 _citation.page_last 386 _citation.title 'Structural basis for therapeutic inhibition of complement C5.' _citation.year 2016 _citation.database_id_CSD ? _citation.pdbx_database_id_DOI 10.1038/nsmb.3196 _citation.pdbx_database_id_PubMed 27018802 _citation.unpublished_flag ? # loop_ _citation_author.citation_id _citation_author.name _citation_author.ordinal primary 'Jore, M.M.' 1 primary 'Johnson, S.' 2 primary 'Sheppard, D.' 3 primary 'Barber, N.M.' 4 primary 'Li, Y.I.' 5 primary 'Nunn, M.A.' 6 primary 'Elmlund, H.' 7 primary 'Lea, S.M.' 8 # _cell.angle_alpha 90.00 _cell.angle_alpha_esd ? _cell.angle_beta 90.00 _cell.angle_beta_esd ? _cell.angle_gamma 90.00 _cell.angle_gamma_esd ? _cell.entry_id 5HCC _cell.details ? _cell.formula_units_Z ? _cell.length_a 104.867 _cell.length_a_esd ? _cell.length_b 140.284 _cell.length_b_esd ? _cell.length_c 211.293 _cell.length_c_esd ? _cell.volume ? _cell.volume_esd ? _cell.Z_PDB 4 _cell.reciprocal_angle_alpha ? _cell.reciprocal_angle_beta ? _cell.reciprocal_angle_gamma ? _cell.reciprocal_angle_alpha_esd ? _cell.reciprocal_angle_beta_esd ? _cell.reciprocal_angle_gamma_esd ? _cell.reciprocal_length_a ? _cell.reciprocal_length_b ? _cell.reciprocal_length_c ? _cell.reciprocal_length_a_esd ? _cell.reciprocal_length_b_esd ? _cell.reciprocal_length_c_esd ? _cell.pdbx_unique_axis ? # _symmetry.entry_id 5HCC _symmetry.cell_setting ? _symmetry.Int_Tables_number 19 _symmetry.space_group_name_Hall ? _symmetry.space_group_name_H-M 'P 21 21 21' _symmetry.pdbx_full_space_group_name_H-M ? # loop_ _entity.id _entity.type _entity.src_method _entity.pdbx_description _entity.formula_weight _entity.pdbx_number_of_molecules _entity.pdbx_ec _entity.pdbx_mutation _entity.pdbx_fragment _entity.details 1 polymer nat 'Complement C5' 73518.648 1 ? ? 'UNP Residues 19-674' 'Chains A and B are the product of a single gene that is processed into two chains that remain covalently linked via a disulphide.' 2 polymer nat 'Complement C5' 112533.906 1 ? ? 'UNP Residues 679-1676' 'Chains A and B are the product of a single gene that is processed into two chains that remain covalently linked via a disulphide.' 3 polymer man 'Complement inhibitor' 18647.588 1 ? 'N78Q, N102Q' ? 'N-terminal residues correspond to Histidine-tag from the vector.' 4 polymer man 'Dermacentor andersoni RaCI3' 8673.502 1 ? ? ? 'First 3 residues are remnants of tag from vector. Mature RaCI3 sequence begins SGES.' 5 non-polymer syn 1,2-ETHANEDIOL 62.068 7 ? ? ? ? 6 non-polymer man N-ACETYL-D-GLUCOSAMINE 221.208 2 ? ? ? ? 7 non-polymer syn CYSTEINE 121.158 1 ? ? ? ? 8 non-polymer syn '1,4-DIETHYLENE DIOXIDE' 88.105 1 ? ? ? ? 9 water nat water 18.015 175 ? ? ? ? # loop_ _entity_name_com.entity_id _entity_name_com.name 1 'C3 and PZP-like alpha-2-macroglobulin domain-containing protein 4' 2 'C3 and PZP-like alpha-2-macroglobulin domain-containing protein 4' # loop_ _entity_poly.entity_id _entity_poly.type _entity_poly.nstd_linkage _entity_poly.nstd_monomer _entity_poly.pdbx_seq_one_letter_code _entity_poly.pdbx_seq_one_letter_code_can _entity_poly.pdbx_strand_id _entity_poly.pdbx_target_identifier 1 'polypeptide(L)' no no ;QEQTYVISAPKIFRVGASENIVIQVYGYTEAFDATISIKSYPDKKFSYSSGHVHLSSENKFQNSAILTIQPKQLPGGQNP VSYVYLEVVSKHFSKSKRMPITYDNGFLFIHTDKPVYTPDQSVKVRVYSLNDDLKPAKRETVLTFIDPEGSEVDMVEEID HIGIISFPDFKIPSNPRYGMWTIKAKYKEDFSTTGTAYFEVKEYVLPHFSVSIEPEYNFIGYKNFKNFEITIKARYFYNK VVTEADVYITFGIREDLKDDQKEMMQTAMQNTMLINGIAQVTFDSETAVKELSYYSLEDLNNKYLYIAVTVIESTGGFSE EAEIPGIKYVLSPYKLNLVATPLFLKPGIPYPIKVQVKDSLDQLVGGVPVTLNAQTIDVNQETSDLDPSKSVTRVDDGVA SFVLNLPSGVTVLEFNVKTDAPDLPEENQAREGYRAIAYSSLSQSYLYIDWTDNHKALLVGEHLNIIVTPKSPYIDKITH YNYLILSKGKIIHFGTREKFSDASYQSINIPVTQNMVPSSRLLVYYIVTGEQTAELVSDSVWLNIEEKCGNQLQVHLSPD ADAYSPGQTVSLNMATGMDSWVALAAVDSAVYGVQRGAKKPLERVFQFLEKSDLGCGAGGGLNNANVFHLAGLTFLTNAN ADDSQENDEPCKEILR ; ;QEQTYVISAPKIFRVGASENIVIQVYGYTEAFDATISIKSYPDKKFSYSSGHVHLSSENKFQNSAILTIQPKQLPGGQNP VSYVYLEVVSKHFSKSKRMPITYDNGFLFIHTDKPVYTPDQSVKVRVYSLNDDLKPAKRETVLTFIDPEGSEVDMVEEID HIGIISFPDFKIPSNPRYGMWTIKAKYKEDFSTTGTAYFEVKEYVLPHFSVSIEPEYNFIGYKNFKNFEITIKARYFYNK VVTEADVYITFGIREDLKDDQKEMMQTAMQNTMLINGIAQVTFDSETAVKELSYYSLEDLNNKYLYIAVTVIESTGGFSE EAEIPGIKYVLSPYKLNLVATPLFLKPGIPYPIKVQVKDSLDQLVGGVPVTLNAQTIDVNQETSDLDPSKSVTRVDDGVA SFVLNLPSGVTVLEFNVKTDAPDLPEENQAREGYRAIAYSSLSQSYLYIDWTDNHKALLVGEHLNIIVTPKSPYIDKITH YNYLILSKGKIIHFGTREKFSDASYQSINIPVTQNMVPSSRLLVYYIVTGEQTAELVSDSVWLNIEEKCGNQLQVHLSPD ADAYSPGQTVSLNMATGMDSWVALAAVDSAVYGVQRGAKKPLERVFQFLEKSDLGCGAGGGLNNANVFHLAGLTFLTNAN ADDSQENDEPCKEILR ; B ? 2 'polypeptide(L)' no no ;LQKKIEEIAAKYKHSVVKKCCYDGACVNNDETCEQRAARISLGPRCIKAFTECCVVASQLRANISHKDMQLGRLHMKTLL PVSKPEIRSYFPESWLWEVHLVPRRKQLQFALPDSLTTWEIQGVGISNTGICVADTVKAKVFKDVFLEMNIPYSVVRGEQ IQLKGTVYNYRTSGMQFCVKMSAVEGICTSESPVIDHQGTKSSKCVRQKVEGSSSHLVTFTVLPLEIGLHNINFSLETWF GKEILVKTLRVVPEGVKRESYSGVTLDPRGIYGTISRRKEFPYRIPLDLVPKTEIKRILSVKGLLVGEILSAVLSQEGIN ILTHLPKGSAEAELMSVVPVFYVFHYLETGNHWNIFHSDPLIEKQKLKKKLKEGMLSIMSYRNADYSYSVWKGGSASTWL TAFALRVLGQVNKYVEQNQNSICNSLLWLVENYQLDNGSFKENSQYQPIKLQGTLPVEARENSLYLTAFTVIGIRKAFDI CPLVKIDTALIKADNFLLENTLPAQSTFTLAISAYALSLGDKTHPQFRSIVSALKREALVKGNPPIYRFWKDNLQHKDSS VPNTGTARMVETTAYALLTSLNLKDINYVNPVIKWLSEEQRYGGGFYSTQDTINAIEGLTEYSLLVKQLRLSMDIDVSYK HKGALHNYKMTDKNFLGRPVEVLLNDDLIVSTGFGSGLATVHVTTVVHKTSTSEEVCSFYLKIDTQDIEASHYRGYGNSD YKRIVACASYKPSREESSSGSSHAVMDISLPTGISANEEDLKALVEGVDQLFTDYQIKDGHVILQLNSIPSSDFLCVRFR IFELFEVGFLSPATFTVYEYHRPDKQCTMFYSTSNIKIQKVCEGAACKCVEADCGQMQEELDLTISAETRKQTACKPEIA YAYKVSITSITVENVFVKYKATLLDIYKTGEAVAEKDSEITFIKKVTCTNAELVKGRQYLIMGKEALQIKYNFSFRYIYP LDSLTWIEYWPRDTTCSSCQAFLANLDEFAEDIFLNGC ; ;LQKKIEEIAAKYKHSVVKKCCYDGACVNNDETCEQRAARISLGPRCIKAFTECCVVASQLRANISHKDMQLGRLHMKTLL PVSKPEIRSYFPESWLWEVHLVPRRKQLQFALPDSLTTWEIQGVGISNTGICVADTVKAKVFKDVFLEMNIPYSVVRGEQ IQLKGTVYNYRTSGMQFCVKMSAVEGICTSESPVIDHQGTKSSKCVRQKVEGSSSHLVTFTVLPLEIGLHNINFSLETWF GKEILVKTLRVVPEGVKRESYSGVTLDPRGIYGTISRRKEFPYRIPLDLVPKTEIKRILSVKGLLVGEILSAVLSQEGIN ILTHLPKGSAEAELMSVVPVFYVFHYLETGNHWNIFHSDPLIEKQKLKKKLKEGMLSIMSYRNADYSYSVWKGGSASTWL TAFALRVLGQVNKYVEQNQNSICNSLLWLVENYQLDNGSFKENSQYQPIKLQGTLPVEARENSLYLTAFTVIGIRKAFDI CPLVKIDTALIKADNFLLENTLPAQSTFTLAISAYALSLGDKTHPQFRSIVSALKREALVKGNPPIYRFWKDNLQHKDSS VPNTGTARMVETTAYALLTSLNLKDINYVNPVIKWLSEEQRYGGGFYSTQDTINAIEGLTEYSLLVKQLRLSMDIDVSYK HKGALHNYKMTDKNFLGRPVEVLLNDDLIVSTGFGSGLATVHVTTVVHKTSTSEEVCSFYLKIDTQDIEASHYRGYGNSD YKRIVACASYKPSREESSSGSSHAVMDISLPTGISANEEDLKALVEGVDQLFTDYQIKDGHVILQLNSIPSSDFLCVRFR IFELFEVGFLSPATFTVYEYHRPDKQCTMFYSTSNIKIQKVCEGAACKCVEADCGQMQEELDLTISAETRKQTACKPEIA YAYKVSITSITVENVFVKYKATLLDIYKTGEAVAEKDSEITFIKKVTCTNAELVKGRQYLIMGKEALQIKYNFSFRYIYP LDSLTWIEYWPRDTTCSSCQAFLANLDEFAEDIFLNGC ; A ? 3 'polypeptide(L)' no no ;MASHHHHHHHHHHSGDSESDCTGSEPVDAFQAFSEGKEAYVLVRSTDPKARDCLKGEPAGEKQDNTLPVMMTFKQGTDWA STDWTFTLDGAKVTATLGQLTQNREVVYDSQSHHCHVDKVEKEVPDYEMWMLDAGGLEVEVECCRQKLEELASGRNQMYP HLKDC ; ;MASHHHHHHHHHHSGDSESDCTGSEPVDAFQAFSEGKEAYVLVRSTDPKARDCLKGEPAGEKQDNTLPVMMTFKQGTDWA STDWTFTLDGAKVTATLGQLTQNREVVYDSQSHHCHVDKVEKEVPDYEMWMLDAGGLEVEVECCRQKLEELASGRNQMYP HLKDC ; C ? 4 'polypeptide(L)' no no ;GPMSGESQSIQRKGQCEEVICHRKLNHLGERVTSGCPTGCLCVIREPDNVDNANGTCYALMSSTTTTTTTPDGTTTSEEE E ; ;GPMSGESQSIQRKGQCEEVICHRKLNHLGERVTSGCPTGCLCVIREPDNVDNANGTCYALMSSTTTTTTTPDGTTTSEEE E ; D ? # loop_ _entity_poly_seq.entity_id _entity_poly_seq.num _entity_poly_seq.mon_id _entity_poly_seq.hetero 1 1 GLN n 1 2 GLU n 1 3 GLN n 1 4 THR n 1 5 TYR n 1 6 VAL n 1 7 ILE n 1 8 SER n 1 9 ALA n 1 10 PRO n 1 11 LYS n 1 12 ILE n 1 13 PHE n 1 14 ARG n 1 15 VAL n 1 16 GLY n 1 17 ALA n 1 18 SER n 1 19 GLU n 1 20 ASN n 1 21 ILE n 1 22 VAL n 1 23 ILE n 1 24 GLN n 1 25 VAL n 1 26 TYR n 1 27 GLY n 1 28 TYR n 1 29 THR n 1 30 GLU n 1 31 ALA n 1 32 PHE n 1 33 ASP n 1 34 ALA n 1 35 THR n 1 36 ILE n 1 37 SER n 1 38 ILE n 1 39 LYS n 1 40 SER n 1 41 TYR n 1 42 PRO n 1 43 ASP n 1 44 LYS n 1 45 LYS n 1 46 PHE n 1 47 SER n 1 48 TYR n 1 49 SER n 1 50 SER n 1 51 GLY n 1 52 HIS n 1 53 VAL n 1 54 HIS n 1 55 LEU n 1 56 SER n 1 57 SER n 1 58 GLU n 1 59 ASN n 1 60 LYS n 1 61 PHE n 1 62 GLN n 1 63 ASN n 1 64 SER n 1 65 ALA n 1 66 ILE n 1 67 LEU n 1 68 THR n 1 69 ILE n 1 70 GLN n 1 71 PRO n 1 72 LYS n 1 73 GLN n 1 74 LEU n 1 75 PRO n 1 76 GLY n 1 77 GLY n 1 78 GLN n 1 79 ASN n 1 80 PRO n 1 81 VAL n 1 82 SER n 1 83 TYR n 1 84 VAL n 1 85 TYR n 1 86 LEU n 1 87 GLU n 1 88 VAL n 1 89 VAL n 1 90 SER n 1 91 LYS n 1 92 HIS n 1 93 PHE n 1 94 SER n 1 95 LYS n 1 96 SER n 1 97 LYS n 1 98 ARG n 1 99 MET n 1 100 PRO n 1 101 ILE n 1 102 THR n 1 103 TYR n 1 104 ASP n 1 105 ASN n 1 106 GLY n 1 107 PHE n 1 108 LEU n 1 109 PHE n 1 110 ILE n 1 111 HIS n 1 112 THR n 1 113 ASP n 1 114 LYS n 1 115 PRO n 1 116 VAL n 1 117 TYR n 1 118 THR n 1 119 PRO n 1 120 ASP n 1 121 GLN n 1 122 SER n 1 123 VAL n 1 124 LYS n 1 125 VAL n 1 126 ARG n 1 127 VAL n 1 128 TYR n 1 129 SER n 1 130 LEU n 1 131 ASN n 1 132 ASP n 1 133 ASP n 1 134 LEU n 1 135 LYS n 1 136 PRO n 1 137 ALA n 1 138 LYS n 1 139 ARG n 1 140 GLU n 1 141 THR n 1 142 VAL n 1 143 LEU n 1 144 THR n 1 145 PHE n 1 146 ILE n 1 147 ASP n 1 148 PRO n 1 149 GLU n 1 150 GLY n 1 151 SER n 1 152 GLU n 1 153 VAL n 1 154 ASP n 1 155 MET n 1 156 VAL n 1 157 GLU n 1 158 GLU n 1 159 ILE n 1 160 ASP n 1 161 HIS n 1 162 ILE n 1 163 GLY n 1 164 ILE n 1 165 ILE n 1 166 SER n 1 167 PHE n 1 168 PRO n 1 169 ASP n 1 170 PHE n 1 171 LYS n 1 172 ILE n 1 173 PRO n 1 174 SER n 1 175 ASN n 1 176 PRO n 1 177 ARG n 1 178 TYR n 1 179 GLY n 1 180 MET n 1 181 TRP n 1 182 THR n 1 183 ILE n 1 184 LYS n 1 185 ALA n 1 186 LYS n 1 187 TYR n 1 188 LYS n 1 189 GLU n 1 190 ASP n 1 191 PHE n 1 192 SER n 1 193 THR n 1 194 THR n 1 195 GLY n 1 196 THR n 1 197 ALA n 1 198 TYR n 1 199 PHE n 1 200 GLU n 1 201 VAL n 1 202 LYS n 1 203 GLU n 1 204 TYR n 1 205 VAL n 1 206 LEU n 1 207 PRO n 1 208 HIS n 1 209 PHE n 1 210 SER n 1 211 VAL n 1 212 SER n 1 213 ILE n 1 214 GLU n 1 215 PRO n 1 216 GLU n 1 217 TYR n 1 218 ASN n 1 219 PHE n 1 220 ILE n 1 221 GLY n 1 222 TYR n 1 223 LYS n 1 224 ASN n 1 225 PHE n 1 226 LYS n 1 227 ASN n 1 228 PHE n 1 229 GLU n 1 230 ILE n 1 231 THR n 1 232 ILE n 1 233 LYS n 1 234 ALA n 1 235 ARG n 1 236 TYR n 1 237 PHE n 1 238 TYR n 1 239 ASN n 1 240 LYS n 1 241 VAL n 1 242 VAL n 1 243 THR n 1 244 GLU n 1 245 ALA n 1 246 ASP n 1 247 VAL n 1 248 TYR n 1 249 ILE n 1 250 THR n 1 251 PHE n 1 252 GLY n 1 253 ILE n 1 254 ARG n 1 255 GLU n 1 256 ASP n 1 257 LEU n 1 258 LYS n 1 259 ASP n 1 260 ASP n 1 261 GLN n 1 262 LYS n 1 263 GLU n 1 264 MET n 1 265 MET n 1 266 GLN n 1 267 THR n 1 268 ALA n 1 269 MET n 1 270 GLN n 1 271 ASN n 1 272 THR n 1 273 MET n 1 274 LEU n 1 275 ILE n 1 276 ASN n 1 277 GLY n 1 278 ILE n 1 279 ALA n 1 280 GLN n 1 281 VAL n 1 282 THR n 1 283 PHE n 1 284 ASP n 1 285 SER n 1 286 GLU n 1 287 THR n 1 288 ALA n 1 289 VAL n 1 290 LYS n 1 291 GLU n 1 292 LEU n 1 293 SER n 1 294 TYR n 1 295 TYR n 1 296 SER n 1 297 LEU n 1 298 GLU n 1 299 ASP n 1 300 LEU n 1 301 ASN n 1 302 ASN n 1 303 LYS n 1 304 TYR n 1 305 LEU n 1 306 TYR n 1 307 ILE n 1 308 ALA n 1 309 VAL n 1 310 THR n 1 311 VAL n 1 312 ILE n 1 313 GLU n 1 314 SER n 1 315 THR n 1 316 GLY n 1 317 GLY n 1 318 PHE n 1 319 SER n 1 320 GLU n 1 321 GLU n 1 322 ALA n 1 323 GLU n 1 324 ILE n 1 325 PRO n 1 326 GLY n 1 327 ILE n 1 328 LYS n 1 329 TYR n 1 330 VAL n 1 331 LEU n 1 332 SER n 1 333 PRO n 1 334 TYR n 1 335 LYS n 1 336 LEU n 1 337 ASN n 1 338 LEU n 1 339 VAL n 1 340 ALA n 1 341 THR n 1 342 PRO n 1 343 LEU n 1 344 PHE n 1 345 LEU n 1 346 LYS n 1 347 PRO n 1 348 GLY n 1 349 ILE n 1 350 PRO n 1 351 TYR n 1 352 PRO n 1 353 ILE n 1 354 LYS n 1 355 VAL n 1 356 GLN n 1 357 VAL n 1 358 LYS n 1 359 ASP n 1 360 SER n 1 361 LEU n 1 362 ASP n 1 363 GLN n 1 364 LEU n 1 365 VAL n 1 366 GLY n 1 367 GLY n 1 368 VAL n 1 369 PRO n 1 370 VAL n 1 371 THR n 1 372 LEU n 1 373 ASN n 1 374 ALA n 1 375 GLN n 1 376 THR n 1 377 ILE n 1 378 ASP n 1 379 VAL n 1 380 ASN n 1 381 GLN n 1 382 GLU n 1 383 THR n 1 384 SER n 1 385 ASP n 1 386 LEU n 1 387 ASP n 1 388 PRO n 1 389 SER n 1 390 LYS n 1 391 SER n 1 392 VAL n 1 393 THR n 1 394 ARG n 1 395 VAL n 1 396 ASP n 1 397 ASP n 1 398 GLY n 1 399 VAL n 1 400 ALA n 1 401 SER n 1 402 PHE n 1 403 VAL n 1 404 LEU n 1 405 ASN n 1 406 LEU n 1 407 PRO n 1 408 SER n 1 409 GLY n 1 410 VAL n 1 411 THR n 1 412 VAL n 1 413 LEU n 1 414 GLU n 1 415 PHE n 1 416 ASN n 1 417 VAL n 1 418 LYS n 1 419 THR n 1 420 ASP n 1 421 ALA n 1 422 PRO n 1 423 ASP n 1 424 LEU n 1 425 PRO n 1 426 GLU n 1 427 GLU n 1 428 ASN n 1 429 GLN n 1 430 ALA n 1 431 ARG n 1 432 GLU n 1 433 GLY n 1 434 TYR n 1 435 ARG n 1 436 ALA n 1 437 ILE n 1 438 ALA n 1 439 TYR n 1 440 SER n 1 441 SER n 1 442 LEU n 1 443 SER n 1 444 GLN n 1 445 SER n 1 446 TYR n 1 447 LEU n 1 448 TYR n 1 449 ILE n 1 450 ASP n 1 451 TRP n 1 452 THR n 1 453 ASP n 1 454 ASN n 1 455 HIS n 1 456 LYS n 1 457 ALA n 1 458 LEU n 1 459 LEU n 1 460 VAL n 1 461 GLY n 1 462 GLU n 1 463 HIS n 1 464 LEU n 1 465 ASN n 1 466 ILE n 1 467 ILE n 1 468 VAL n 1 469 THR n 1 470 PRO n 1 471 LYS n 1 472 SER n 1 473 PRO n 1 474 TYR n 1 475 ILE n 1 476 ASP n 1 477 LYS n 1 478 ILE n 1 479 THR n 1 480 HIS n 1 481 TYR n 1 482 ASN n 1 483 TYR n 1 484 LEU n 1 485 ILE n 1 486 LEU n 1 487 SER n 1 488 LYS n 1 489 GLY n 1 490 LYS n 1 491 ILE n 1 492 ILE n 1 493 HIS n 1 494 PHE n 1 495 GLY n 1 496 THR n 1 497 ARG n 1 498 GLU n 1 499 LYS n 1 500 PHE n 1 501 SER n 1 502 ASP n 1 503 ALA n 1 504 SER n 1 505 TYR n 1 506 GLN n 1 507 SER n 1 508 ILE n 1 509 ASN n 1 510 ILE n 1 511 PRO n 1 512 VAL n 1 513 THR n 1 514 GLN n 1 515 ASN n 1 516 MET n 1 517 VAL n 1 518 PRO n 1 519 SER n 1 520 SER n 1 521 ARG n 1 522 LEU n 1 523 LEU n 1 524 VAL n 1 525 TYR n 1 526 TYR n 1 527 ILE n 1 528 VAL n 1 529 THR n 1 530 GLY n 1 531 GLU n 1 532 GLN n 1 533 THR n 1 534 ALA n 1 535 GLU n 1 536 LEU n 1 537 VAL n 1 538 SER n 1 539 ASP n 1 540 SER n 1 541 VAL n 1 542 TRP n 1 543 LEU n 1 544 ASN n 1 545 ILE n 1 546 GLU n 1 547 GLU n 1 548 LYS n 1 549 CYS n 1 550 GLY n 1 551 ASN n 1 552 GLN n 1 553 LEU n 1 554 GLN n 1 555 VAL n 1 556 HIS n 1 557 LEU n 1 558 SER n 1 559 PRO n 1 560 ASP n 1 561 ALA n 1 562 ASP n 1 563 ALA n 1 564 TYR n 1 565 SER n 1 566 PRO n 1 567 GLY n 1 568 GLN n 1 569 THR n 1 570 VAL n 1 571 SER n 1 572 LEU n 1 573 ASN n 1 574 MET n 1 575 ALA n 1 576 THR n 1 577 GLY n 1 578 MET n 1 579 ASP n 1 580 SER n 1 581 TRP n 1 582 VAL n 1 583 ALA n 1 584 LEU n 1 585 ALA n 1 586 ALA n 1 587 VAL n 1 588 ASP n 1 589 SER n 1 590 ALA n 1 591 VAL n 1 592 TYR n 1 593 GLY n 1 594 VAL n 1 595 GLN n 1 596 ARG n 1 597 GLY n 1 598 ALA n 1 599 LYS n 1 600 LYS n 1 601 PRO n 1 602 LEU n 1 603 GLU n 1 604 ARG n 1 605 VAL n 1 606 PHE n 1 607 GLN n 1 608 PHE n 1 609 LEU n 1 610 GLU n 1 611 LYS n 1 612 SER n 1 613 ASP n 1 614 LEU n 1 615 GLY n 1 616 CYS n 1 617 GLY n 1 618 ALA n 1 619 GLY n 1 620 GLY n 1 621 GLY n 1 622 LEU n 1 623 ASN n 1 624 ASN n 1 625 ALA n 1 626 ASN n 1 627 VAL n 1 628 PHE n 1 629 HIS n 1 630 LEU n 1 631 ALA n 1 632 GLY n 1 633 LEU n 1 634 THR n 1 635 PHE n 1 636 LEU n 1 637 THR n 1 638 ASN n 1 639 ALA n 1 640 ASN n 1 641 ALA n 1 642 ASP n 1 643 ASP n 1 644 SER n 1 645 GLN n 1 646 GLU n 1 647 ASN n 1 648 ASP n 1 649 GLU n 1 650 PRO n 1 651 CYS n 1 652 LYS n 1 653 GLU n 1 654 ILE n 1 655 LEU n 1 656 ARG n 2 1 LEU n 2 2 GLN n 2 3 LYS n 2 4 LYS n 2 5 ILE n 2 6 GLU n 2 7 GLU n 2 8 ILE n 2 9 ALA n 2 10 ALA n 2 11 LYS n 2 12 TYR n 2 13 LYS n 2 14 HIS n 2 15 SER n 2 16 VAL n 2 17 VAL n 2 18 LYS n 2 19 LYS n 2 20 CYS n 2 21 CYS n 2 22 TYR n 2 23 ASP n 2 24 GLY n 2 25 ALA n 2 26 CYS n 2 27 VAL n 2 28 ASN n 2 29 ASN n 2 30 ASP n 2 31 GLU n 2 32 THR n 2 33 CYS n 2 34 GLU n 2 35 GLN n 2 36 ARG n 2 37 ALA n 2 38 ALA n 2 39 ARG n 2 40 ILE n 2 41 SER n 2 42 LEU n 2 43 GLY n 2 44 PRO n 2 45 ARG n 2 46 CYS n 2 47 ILE n 2 48 LYS n 2 49 ALA n 2 50 PHE n 2 51 THR n 2 52 GLU n 2 53 CYS n 2 54 CYS n 2 55 VAL n 2 56 VAL n 2 57 ALA n 2 58 SER n 2 59 GLN n 2 60 LEU n 2 61 ARG n 2 62 ALA n 2 63 ASN n 2 64 ILE n 2 65 SER n 2 66 HIS n 2 67 LYS n 2 68 ASP n 2 69 MET n 2 70 GLN n 2 71 LEU n 2 72 GLY n 2 73 ARG n 2 74 LEU n 2 75 HIS n 2 76 MET n 2 77 LYS n 2 78 THR n 2 79 LEU n 2 80 LEU n 2 81 PRO n 2 82 VAL n 2 83 SER n 2 84 LYS n 2 85 PRO n 2 86 GLU n 2 87 ILE n 2 88 ARG n 2 89 SER n 2 90 TYR n 2 91 PHE n 2 92 PRO n 2 93 GLU n 2 94 SER n 2 95 TRP n 2 96 LEU n 2 97 TRP n 2 98 GLU n 2 99 VAL n 2 100 HIS n 2 101 LEU n 2 102 VAL n 2 103 PRO n 2 104 ARG n 2 105 ARG n 2 106 LYS n 2 107 GLN n 2 108 LEU n 2 109 GLN n 2 110 PHE n 2 111 ALA n 2 112 LEU n 2 113 PRO n 2 114 ASP n 2 115 SER n 2 116 LEU n 2 117 THR n 2 118 THR n 2 119 TRP n 2 120 GLU n 2 121 ILE n 2 122 GLN n 2 123 GLY n 2 124 VAL n 2 125 GLY n 2 126 ILE n 2 127 SER n 2 128 ASN n 2 129 THR n 2 130 GLY n 2 131 ILE n 2 132 CYS n 2 133 VAL n 2 134 ALA n 2 135 ASP n 2 136 THR n 2 137 VAL n 2 138 LYS n 2 139 ALA n 2 140 LYS n 2 141 VAL n 2 142 PHE n 2 143 LYS n 2 144 ASP n 2 145 VAL n 2 146 PHE n 2 147 LEU n 2 148 GLU n 2 149 MET n 2 150 ASN n 2 151 ILE n 2 152 PRO n 2 153 TYR n 2 154 SER n 2 155 VAL n 2 156 VAL n 2 157 ARG n 2 158 GLY n 2 159 GLU n 2 160 GLN n 2 161 ILE n 2 162 GLN n 2 163 LEU n 2 164 LYS n 2 165 GLY n 2 166 THR n 2 167 VAL n 2 168 TYR n 2 169 ASN n 2 170 TYR n 2 171 ARG n 2 172 THR n 2 173 SER n 2 174 GLY n 2 175 MET n 2 176 GLN n 2 177 PHE n 2 178 CYS n 2 179 VAL n 2 180 LYS n 2 181 MET n 2 182 SER n 2 183 ALA n 2 184 VAL n 2 185 GLU n 2 186 GLY n 2 187 ILE n 2 188 CYS n 2 189 THR n 2 190 SER n 2 191 GLU n 2 192 SER n 2 193 PRO n 2 194 VAL n 2 195 ILE n 2 196 ASP n 2 197 HIS n 2 198 GLN n 2 199 GLY n 2 200 THR n 2 201 LYS n 2 202 SER n 2 203 SER n 2 204 LYS n 2 205 CYS n 2 206 VAL n 2 207 ARG n 2 208 GLN n 2 209 LYS n 2 210 VAL n 2 211 GLU n 2 212 GLY n 2 213 SER n 2 214 SER n 2 215 SER n 2 216 HIS n 2 217 LEU n 2 218 VAL n 2 219 THR n 2 220 PHE n 2 221 THR n 2 222 VAL n 2 223 LEU n 2 224 PRO n 2 225 LEU n 2 226 GLU n 2 227 ILE n 2 228 GLY n 2 229 LEU n 2 230 HIS n 2 231 ASN n 2 232 ILE n 2 233 ASN n 2 234 PHE n 2 235 SER n 2 236 LEU n 2 237 GLU n 2 238 THR n 2 239 TRP n 2 240 PHE n 2 241 GLY n 2 242 LYS n 2 243 GLU n 2 244 ILE n 2 245 LEU n 2 246 VAL n 2 247 LYS n 2 248 THR n 2 249 LEU n 2 250 ARG n 2 251 VAL n 2 252 VAL n 2 253 PRO n 2 254 GLU n 2 255 GLY n 2 256 VAL n 2 257 LYS n 2 258 ARG n 2 259 GLU n 2 260 SER n 2 261 TYR n 2 262 SER n 2 263 GLY n 2 264 VAL n 2 265 THR n 2 266 LEU n 2 267 ASP n 2 268 PRO n 2 269 ARG n 2 270 GLY n 2 271 ILE n 2 272 TYR n 2 273 GLY n 2 274 THR n 2 275 ILE n 2 276 SER n 2 277 ARG n 2 278 ARG n 2 279 LYS n 2 280 GLU n 2 281 PHE n 2 282 PRO n 2 283 TYR n 2 284 ARG n 2 285 ILE n 2 286 PRO n 2 287 LEU n 2 288 ASP n 2 289 LEU n 2 290 VAL n 2 291 PRO n 2 292 LYS n 2 293 THR n 2 294 GLU n 2 295 ILE n 2 296 LYS n 2 297 ARG n 2 298 ILE n 2 299 LEU n 2 300 SER n 2 301 VAL n 2 302 LYS n 2 303 GLY n 2 304 LEU n 2 305 LEU n 2 306 VAL n 2 307 GLY n 2 308 GLU n 2 309 ILE n 2 310 LEU n 2 311 SER n 2 312 ALA n 2 313 VAL n 2 314 LEU n 2 315 SER n 2 316 GLN n 2 317 GLU n 2 318 GLY n 2 319 ILE n 2 320 ASN n 2 321 ILE n 2 322 LEU n 2 323 THR n 2 324 HIS n 2 325 LEU n 2 326 PRO n 2 327 LYS n 2 328 GLY n 2 329 SER n 2 330 ALA n 2 331 GLU n 2 332 ALA n 2 333 GLU n 2 334 LEU n 2 335 MET n 2 336 SER n 2 337 VAL n 2 338 VAL n 2 339 PRO n 2 340 VAL n 2 341 PHE n 2 342 TYR n 2 343 VAL n 2 344 PHE n 2 345 HIS n 2 346 TYR n 2 347 LEU n 2 348 GLU n 2 349 THR n 2 350 GLY n 2 351 ASN n 2 352 HIS n 2 353 TRP n 2 354 ASN n 2 355 ILE n 2 356 PHE n 2 357 HIS n 2 358 SER n 2 359 ASP n 2 360 PRO n 2 361 LEU n 2 362 ILE n 2 363 GLU n 2 364 LYS n 2 365 GLN n 2 366 LYS n 2 367 LEU n 2 368 LYS n 2 369 LYS n 2 370 LYS n 2 371 LEU n 2 372 LYS n 2 373 GLU n 2 374 GLY n 2 375 MET n 2 376 LEU n 2 377 SER n 2 378 ILE n 2 379 MET n 2 380 SER n 2 381 TYR n 2 382 ARG n 2 383 ASN n 2 384 ALA n 2 385 ASP n 2 386 TYR n 2 387 SER n 2 388 TYR n 2 389 SER n 2 390 VAL n 2 391 TRP n 2 392 LYS n 2 393 GLY n 2 394 GLY n 2 395 SER n 2 396 ALA n 2 397 SER n 2 398 THR n 2 399 TRP n 2 400 LEU n 2 401 THR n 2 402 ALA n 2 403 PHE n 2 404 ALA n 2 405 LEU n 2 406 ARG n 2 407 VAL n 2 408 LEU n 2 409 GLY n 2 410 GLN n 2 411 VAL n 2 412 ASN n 2 413 LYS n 2 414 TYR n 2 415 VAL n 2 416 GLU n 2 417 GLN n 2 418 ASN n 2 419 GLN n 2 420 ASN n 2 421 SER n 2 422 ILE n 2 423 CYS n 2 424 ASN n 2 425 SER n 2 426 LEU n 2 427 LEU n 2 428 TRP n 2 429 LEU n 2 430 VAL n 2 431 GLU n 2 432 ASN n 2 433 TYR n 2 434 GLN n 2 435 LEU n 2 436 ASP n 2 437 ASN n 2 438 GLY n 2 439 SER n 2 440 PHE n 2 441 LYS n 2 442 GLU n 2 443 ASN n 2 444 SER n 2 445 GLN n 2 446 TYR n 2 447 GLN n 2 448 PRO n 2 449 ILE n 2 450 LYS n 2 451 LEU n 2 452 GLN n 2 453 GLY n 2 454 THR n 2 455 LEU n 2 456 PRO n 2 457 VAL n 2 458 GLU n 2 459 ALA n 2 460 ARG n 2 461 GLU n 2 462 ASN n 2 463 SER n 2 464 LEU n 2 465 TYR n 2 466 LEU n 2 467 THR n 2 468 ALA n 2 469 PHE n 2 470 THR n 2 471 VAL n 2 472 ILE n 2 473 GLY n 2 474 ILE n 2 475 ARG n 2 476 LYS n 2 477 ALA n 2 478 PHE n 2 479 ASP n 2 480 ILE n 2 481 CYS n 2 482 PRO n 2 483 LEU n 2 484 VAL n 2 485 LYS n 2 486 ILE n 2 487 ASP n 2 488 THR n 2 489 ALA n 2 490 LEU n 2 491 ILE n 2 492 LYS n 2 493 ALA n 2 494 ASP n 2 495 ASN n 2 496 PHE n 2 497 LEU n 2 498 LEU n 2 499 GLU n 2 500 ASN n 2 501 THR n 2 502 LEU n 2 503 PRO n 2 504 ALA n 2 505 GLN n 2 506 SER n 2 507 THR n 2 508 PHE n 2 509 THR n 2 510 LEU n 2 511 ALA n 2 512 ILE n 2 513 SER n 2 514 ALA n 2 515 TYR n 2 516 ALA n 2 517 LEU n 2 518 SER n 2 519 LEU n 2 520 GLY n 2 521 ASP n 2 522 LYS n 2 523 THR n 2 524 HIS n 2 525 PRO n 2 526 GLN n 2 527 PHE n 2 528 ARG n 2 529 SER n 2 530 ILE n 2 531 VAL n 2 532 SER n 2 533 ALA n 2 534 LEU n 2 535 LYS n 2 536 ARG n 2 537 GLU n 2 538 ALA n 2 539 LEU n 2 540 VAL n 2 541 LYS n 2 542 GLY n 2 543 ASN n 2 544 PRO n 2 545 PRO n 2 546 ILE n 2 547 TYR n 2 548 ARG n 2 549 PHE n 2 550 TRP n 2 551 LYS n 2 552 ASP n 2 553 ASN n 2 554 LEU n 2 555 GLN n 2 556 HIS n 2 557 LYS n 2 558 ASP n 2 559 SER n 2 560 SER n 2 561 VAL n 2 562 PRO n 2 563 ASN n 2 564 THR n 2 565 GLY n 2 566 THR n 2 567 ALA n 2 568 ARG n 2 569 MET n 2 570 VAL n 2 571 GLU n 2 572 THR n 2 573 THR n 2 574 ALA n 2 575 TYR n 2 576 ALA n 2 577 LEU n 2 578 LEU n 2 579 THR n 2 580 SER n 2 581 LEU n 2 582 ASN n 2 583 LEU n 2 584 LYS n 2 585 ASP n 2 586 ILE n 2 587 ASN n 2 588 TYR n 2 589 VAL n 2 590 ASN n 2 591 PRO n 2 592 VAL n 2 593 ILE n 2 594 LYS n 2 595 TRP n 2 596 LEU n 2 597 SER n 2 598 GLU n 2 599 GLU n 2 600 GLN n 2 601 ARG n 2 602 TYR n 2 603 GLY n 2 604 GLY n 2 605 GLY n 2 606 PHE n 2 607 TYR n 2 608 SER n 2 609 THR n 2 610 GLN n 2 611 ASP n 2 612 THR n 2 613 ILE n 2 614 ASN n 2 615 ALA n 2 616 ILE n 2 617 GLU n 2 618 GLY n 2 619 LEU n 2 620 THR n 2 621 GLU n 2 622 TYR n 2 623 SER n 2 624 LEU n 2 625 LEU n 2 626 VAL n 2 627 LYS n 2 628 GLN n 2 629 LEU n 2 630 ARG n 2 631 LEU n 2 632 SER n 2 633 MET n 2 634 ASP n 2 635 ILE n 2 636 ASP n 2 637 VAL n 2 638 SER n 2 639 TYR n 2 640 LYS n 2 641 HIS n 2 642 LYS n 2 643 GLY n 2 644 ALA n 2 645 LEU n 2 646 HIS n 2 647 ASN n 2 648 TYR n 2 649 LYS n 2 650 MET n 2 651 THR n 2 652 ASP n 2 653 LYS n 2 654 ASN n 2 655 PHE n 2 656 LEU n 2 657 GLY n 2 658 ARG n 2 659 PRO n 2 660 VAL n 2 661 GLU n 2 662 VAL n 2 663 LEU n 2 664 LEU n 2 665 ASN n 2 666 ASP n 2 667 ASP n 2 668 LEU n 2 669 ILE n 2 670 VAL n 2 671 SER n 2 672 THR n 2 673 GLY n 2 674 PHE n 2 675 GLY n 2 676 SER n 2 677 GLY n 2 678 LEU n 2 679 ALA n 2 680 THR n 2 681 VAL n 2 682 HIS n 2 683 VAL n 2 684 THR n 2 685 THR n 2 686 VAL n 2 687 VAL n 2 688 HIS n 2 689 LYS n 2 690 THR n 2 691 SER n 2 692 THR n 2 693 SER n 2 694 GLU n 2 695 GLU n 2 696 VAL n 2 697 CYS n 2 698 SER n 2 699 PHE n 2 700 TYR n 2 701 LEU n 2 702 LYS n 2 703 ILE n 2 704 ASP n 2 705 THR n 2 706 GLN n 2 707 ASP n 2 708 ILE n 2 709 GLU n 2 710 ALA n 2 711 SER n 2 712 HIS n 2 713 TYR n 2 714 ARG n 2 715 GLY n 2 716 TYR n 2 717 GLY n 2 718 ASN n 2 719 SER n 2 720 ASP n 2 721 TYR n 2 722 LYS n 2 723 ARG n 2 724 ILE n 2 725 VAL n 2 726 ALA n 2 727 CYS n 2 728 ALA n 2 729 SER n 2 730 TYR n 2 731 LYS n 2 732 PRO n 2 733 SER n 2 734 ARG n 2 735 GLU n 2 736 GLU n 2 737 SER n 2 738 SER n 2 739 SER n 2 740 GLY n 2 741 SER n 2 742 SER n 2 743 HIS n 2 744 ALA n 2 745 VAL n 2 746 MET n 2 747 ASP n 2 748 ILE n 2 749 SER n 2 750 LEU n 2 751 PRO n 2 752 THR n 2 753 GLY n 2 754 ILE n 2 755 SER n 2 756 ALA n 2 757 ASN n 2 758 GLU n 2 759 GLU n 2 760 ASP n 2 761 LEU n 2 762 LYS n 2 763 ALA n 2 764 LEU n 2 765 VAL n 2 766 GLU n 2 767 GLY n 2 768 VAL n 2 769 ASP n 2 770 GLN n 2 771 LEU n 2 772 PHE n 2 773 THR n 2 774 ASP n 2 775 TYR n 2 776 GLN n 2 777 ILE n 2 778 LYS n 2 779 ASP n 2 780 GLY n 2 781 HIS n 2 782 VAL n 2 783 ILE n 2 784 LEU n 2 785 GLN n 2 786 LEU n 2 787 ASN n 2 788 SER n 2 789 ILE n 2 790 PRO n 2 791 SER n 2 792 SER n 2 793 ASP n 2 794 PHE n 2 795 LEU n 2 796 CYS n 2 797 VAL n 2 798 ARG n 2 799 PHE n 2 800 ARG n 2 801 ILE n 2 802 PHE n 2 803 GLU n 2 804 LEU n 2 805 PHE n 2 806 GLU n 2 807 VAL n 2 808 GLY n 2 809 PHE n 2 810 LEU n 2 811 SER n 2 812 PRO n 2 813 ALA n 2 814 THR n 2 815 PHE n 2 816 THR n 2 817 VAL n 2 818 TYR n 2 819 GLU n 2 820 TYR n 2 821 HIS n 2 822 ARG n 2 823 PRO n 2 824 ASP n 2 825 LYS n 2 826 GLN n 2 827 CYS n 2 828 THR n 2 829 MET n 2 830 PHE n 2 831 TYR n 2 832 SER n 2 833 THR n 2 834 SER n 2 835 ASN n 2 836 ILE n 2 837 LYS n 2 838 ILE n 2 839 GLN n 2 840 LYS n 2 841 VAL n 2 842 CYS n 2 843 GLU n 2 844 GLY n 2 845 ALA n 2 846 ALA n 2 847 CYS n 2 848 LYS n 2 849 CYS n 2 850 VAL n 2 851 GLU n 2 852 ALA n 2 853 ASP n 2 854 CYS n 2 855 GLY n 2 856 GLN n 2 857 MET n 2 858 GLN n 2 859 GLU n 2 860 GLU n 2 861 LEU n 2 862 ASP n 2 863 LEU n 2 864 THR n 2 865 ILE n 2 866 SER n 2 867 ALA n 2 868 GLU n 2 869 THR n 2 870 ARG n 2 871 LYS n 2 872 GLN n 2 873 THR n 2 874 ALA n 2 875 CYS n 2 876 LYS n 2 877 PRO n 2 878 GLU n 2 879 ILE n 2 880 ALA n 2 881 TYR n 2 882 ALA n 2 883 TYR n 2 884 LYS n 2 885 VAL n 2 886 SER n 2 887 ILE n 2 888 THR n 2 889 SER n 2 890 ILE n 2 891 THR n 2 892 VAL n 2 893 GLU n 2 894 ASN n 2 895 VAL n 2 896 PHE n 2 897 VAL n 2 898 LYS n 2 899 TYR n 2 900 LYS n 2 901 ALA n 2 902 THR n 2 903 LEU n 2 904 LEU n 2 905 ASP n 2 906 ILE n 2 907 TYR n 2 908 LYS n 2 909 THR n 2 910 GLY n 2 911 GLU n 2 912 ALA n 2 913 VAL n 2 914 ALA n 2 915 GLU n 2 916 LYS n 2 917 ASP n 2 918 SER n 2 919 GLU n 2 920 ILE n 2 921 THR n 2 922 PHE n 2 923 ILE n 2 924 LYS n 2 925 LYS n 2 926 VAL n 2 927 THR n 2 928 CYS n 2 929 THR n 2 930 ASN n 2 931 ALA n 2 932 GLU n 2 933 LEU n 2 934 VAL n 2 935 LYS n 2 936 GLY n 2 937 ARG n 2 938 GLN n 2 939 TYR n 2 940 LEU n 2 941 ILE n 2 942 MET n 2 943 GLY n 2 944 LYS n 2 945 GLU n 2 946 ALA n 2 947 LEU n 2 948 GLN n 2 949 ILE n 2 950 LYS n 2 951 TYR n 2 952 ASN n 2 953 PHE n 2 954 SER n 2 955 PHE n 2 956 ARG n 2 957 TYR n 2 958 ILE n 2 959 TYR n 2 960 PRO n 2 961 LEU n 2 962 ASP n 2 963 SER n 2 964 LEU n 2 965 THR n 2 966 TRP n 2 967 ILE n 2 968 GLU n 2 969 TYR n 2 970 TRP n 2 971 PRO n 2 972 ARG n 2 973 ASP n 2 974 THR n 2 975 THR n 2 976 CYS n 2 977 SER n 2 978 SER n 2 979 CYS n 2 980 GLN n 2 981 ALA n 2 982 PHE n 2 983 LEU n 2 984 ALA n 2 985 ASN n 2 986 LEU n 2 987 ASP n 2 988 GLU n 2 989 PHE n 2 990 ALA n 2 991 GLU n 2 992 ASP n 2 993 ILE n 2 994 PHE n 2 995 LEU n 2 996 ASN n 2 997 GLY n 2 998 CYS n 3 1 MET n 3 2 ALA n 3 3 SER n 3 4 HIS n 3 5 HIS n 3 6 HIS n 3 7 HIS n 3 8 HIS n 3 9 HIS n 3 10 HIS n 3 11 HIS n 3 12 HIS n 3 13 HIS n 3 14 SER n 3 15 GLY n 3 16 ASP n 3 17 SER n 3 18 GLU n 3 19 SER n 3 20 ASP n 3 21 CYS n 3 22 THR n 3 23 GLY n 3 24 SER n 3 25 GLU n 3 26 PRO n 3 27 VAL n 3 28 ASP n 3 29 ALA n 3 30 PHE n 3 31 GLN n 3 32 ALA n 3 33 PHE n 3 34 SER n 3 35 GLU n 3 36 GLY n 3 37 LYS n 3 38 GLU n 3 39 ALA n 3 40 TYR n 3 41 VAL n 3 42 LEU n 3 43 VAL n 3 44 ARG n 3 45 SER n 3 46 THR n 3 47 ASP n 3 48 PRO n 3 49 LYS n 3 50 ALA n 3 51 ARG n 3 52 ASP n 3 53 CYS n 3 54 LEU n 3 55 LYS n 3 56 GLY n 3 57 GLU n 3 58 PRO n 3 59 ALA n 3 60 GLY n 3 61 GLU n 3 62 LYS n 3 63 GLN n 3 64 ASP n 3 65 ASN n 3 66 THR n 3 67 LEU n 3 68 PRO n 3 69 VAL n 3 70 MET n 3 71 MET n 3 72 THR n 3 73 PHE n 3 74 LYS n 3 75 GLN n 3 76 GLY n 3 77 THR n 3 78 ASP n 3 79 TRP n 3 80 ALA n 3 81 SER n 3 82 THR n 3 83 ASP n 3 84 TRP n 3 85 THR n 3 86 PHE n 3 87 THR n 3 88 LEU n 3 89 ASP n 3 90 GLY n 3 91 ALA n 3 92 LYS n 3 93 VAL n 3 94 THR n 3 95 ALA n 3 96 THR n 3 97 LEU n 3 98 GLY n 3 99 GLN n 3 100 LEU n 3 101 THR n 3 102 GLN n 3 103 ASN n 3 104 ARG n 3 105 GLU n 3 106 VAL n 3 107 VAL n 3 108 TYR n 3 109 ASP n 3 110 SER n 3 111 GLN n 3 112 SER n 3 113 HIS n 3 114 HIS n 3 115 CYS n 3 116 HIS n 3 117 VAL n 3 118 ASP n 3 119 LYS n 3 120 VAL n 3 121 GLU n 3 122 LYS n 3 123 GLU n 3 124 VAL n 3 125 PRO n 3 126 ASP n 3 127 TYR n 3 128 GLU n 3 129 MET n 3 130 TRP n 3 131 MET n 3 132 LEU n 3 133 ASP n 3 134 ALA n 3 135 GLY n 3 136 GLY n 3 137 LEU n 3 138 GLU n 3 139 VAL n 3 140 GLU n 3 141 VAL n 3 142 GLU n 3 143 CYS n 3 144 CYS n 3 145 ARG n 3 146 GLN n 3 147 LYS n 3 148 LEU n 3 149 GLU n 3 150 GLU n 3 151 LEU n 3 152 ALA n 3 153 SER n 3 154 GLY n 3 155 ARG n 3 156 ASN n 3 157 GLN n 3 158 MET n 3 159 TYR n 3 160 PRO n 3 161 HIS n 3 162 LEU n 3 163 LYS n 3 164 ASP n 3 165 CYS n 4 1 GLY n 4 2 PRO n 4 3 MET n 4 4 SER n 4 5 GLY n 4 6 GLU n 4 7 SER n 4 8 GLN n 4 9 SER n 4 10 ILE n 4 11 GLN n 4 12 ARG n 4 13 LYS n 4 14 GLY n 4 15 GLN n 4 16 CYS n 4 17 GLU n 4 18 GLU n 4 19 VAL n 4 20 ILE n 4 21 CYS n 4 22 HIS n 4 23 ARG n 4 24 LYS n 4 25 LEU n 4 26 ASN n 4 27 HIS n 4 28 LEU n 4 29 GLY n 4 30 GLU n 4 31 ARG n 4 32 VAL n 4 33 THR n 4 34 SER n 4 35 GLY n 4 36 CYS n 4 37 PRO n 4 38 THR n 4 39 GLY n 4 40 CYS n 4 41 LEU n 4 42 CYS n 4 43 VAL n 4 44 ILE n 4 45 ARG n 4 46 GLU n 4 47 PRO n 4 48 ASP n 4 49 ASN n 4 50 VAL n 4 51 ASP n 4 52 ASN n 4 53 ALA n 4 54 ASN n 4 55 GLY n 4 56 THR n 4 57 CYS n 4 58 TYR n 4 59 ALA n 4 60 LEU n 4 61 MET n 4 62 SER n 4 63 SER n 4 64 THR n 4 65 THR n 4 66 THR n 4 67 THR n 4 68 THR n 4 69 THR n 4 70 THR n 4 71 PRO n 4 72 ASP n 4 73 GLY n 4 74 THR n 4 75 THR n 4 76 THR n 4 77 SER n 4 78 GLU n 4 79 GLU n 4 80 GLU n 4 81 GLU n # loop_ _entity_src_gen.entity_id _entity_src_gen.pdbx_src_id _entity_src_gen.pdbx_alt_source_flag _entity_src_gen.pdbx_seq_type _entity_src_gen.pdbx_beg_seq_num _entity_src_gen.pdbx_end_seq_num _entity_src_gen.gene_src_common_name _entity_src_gen.gene_src_genus _entity_src_gen.pdbx_gene_src_gene _entity_src_gen.gene_src_species _entity_src_gen.gene_src_strain _entity_src_gen.gene_src_tissue _entity_src_gen.gene_src_tissue_fraction _entity_src_gen.gene_src_details _entity_src_gen.pdbx_gene_src_fragment _entity_src_gen.pdbx_gene_src_scientific_name _entity_src_gen.pdbx_gene_src_ncbi_taxonomy_id _entity_src_gen.pdbx_gene_src_variant _entity_src_gen.pdbx_gene_src_cell_line _entity_src_gen.pdbx_gene_src_atcc _entity_src_gen.pdbx_gene_src_organ _entity_src_gen.pdbx_gene_src_organelle _entity_src_gen.pdbx_gene_src_cell _entity_src_gen.pdbx_gene_src_cellular_location _entity_src_gen.host_org_common_name _entity_src_gen.pdbx_host_org_scientific_name _entity_src_gen.pdbx_host_org_ncbi_taxonomy_id _entity_src_gen.host_org_genus _entity_src_gen.pdbx_host_org_gene _entity_src_gen.pdbx_host_org_organ _entity_src_gen.host_org_species _entity_src_gen.pdbx_host_org_tissue _entity_src_gen.pdbx_host_org_tissue_fraction _entity_src_gen.pdbx_host_org_strain _entity_src_gen.pdbx_host_org_variant _entity_src_gen.pdbx_host_org_cell_line _entity_src_gen.pdbx_host_org_atcc _entity_src_gen.pdbx_host_org_culture_collection _entity_src_gen.pdbx_host_org_cell _entity_src_gen.pdbx_host_org_organelle _entity_src_gen.pdbx_host_org_cellular_location _entity_src_gen.pdbx_host_org_vector_type _entity_src_gen.pdbx_host_org_vector _entity_src_gen.host_org_details _entity_src_gen.expression_system_id _entity_src_gen.plasmid_name _entity_src_gen.plasmid_details _entity_src_gen.pdbx_description 3 1 sample 'Biological sequence' 1 165 'Soft tick' ? CI ? ? ? ? ? ? 'Ornithodoros moubata' 6938 ? ? ? ? ? ? ? ? 'Kluyveromyces lactis' 28985 ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? 4 1 sample 'Biological sequence' 1 81 ? ? ? ? ? ? ? ? ? 'Dermacentor andersoni' 34620 ? ? ? ? ? ? ? ? 'Escherichia coli K-12' 83333 ? ? ? ? ? ? ? 'Shuffle T7' ? ? ? ? ? ? Plasmid ? ? ? pETM14 ? ? # loop_ _entity_src_nat.entity_id _entity_src_nat.pdbx_src_id _entity_src_nat.pdbx_alt_source_flag _entity_src_nat.pdbx_beg_seq_num _entity_src_nat.pdbx_end_seq_num _entity_src_nat.common_name _entity_src_nat.pdbx_organism_scientific _entity_src_nat.pdbx_ncbi_taxonomy_id _entity_src_nat.genus _entity_src_nat.species _entity_src_nat.strain _entity_src_nat.tissue _entity_src_nat.tissue_fraction _entity_src_nat.pdbx_secretion _entity_src_nat.pdbx_fragment _entity_src_nat.pdbx_variant _entity_src_nat.pdbx_cell_line _entity_src_nat.pdbx_atcc _entity_src_nat.pdbx_cellular_location _entity_src_nat.pdbx_organ _entity_src_nat.pdbx_organelle _entity_src_nat.pdbx_cell _entity_src_nat.pdbx_plasmid_name _entity_src_nat.pdbx_plasmid_details _entity_src_nat.details 1 1 sample 1 1658 Human 'Homo sapiens' 9606 ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? 2 1 sample 1 998 Human 'Homo sapiens' 9606 ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? # loop_ _struct_ref.id _struct_ref.db_name _struct_ref.db_code _struct_ref.pdbx_db_accession _struct_ref.pdbx_db_isoform _struct_ref.entity_id _struct_ref.pdbx_seq_one_letter_code _struct_ref.pdbx_align_begin 1 UNP CO5_HUMAN P01031 ? 1 ;QEQTYVISAPKIFRVGASENIVIQVYGYTEAFDATISIKSYPDKKFSYSSGHVHLSSENKFQNSAILTIQPKQLPGGQNP VSYVYLEVVSKHFSKSKRMPITYDNGFLFIHTDKPVYTPDQSVKVRVYSLNDDLKPAKRETVLTFIDPEGSEVDMVEEID HIGIISFPDFKIPSNPRYGMWTIKAKYKEDFSTTGTAYFEVKEYVLPHFSVSIEPEYNFIGYKNFKNFEITIKARYFYNK VVTEADVYITFGIREDLKDDQKEMMQTAMQNTMLINGIAQVTFDSETAVKELSYYSLEDLNNKYLYIAVTVIESTGGFSE EAEIPGIKYVLSPYKLNLVATPLFLKPGIPYPIKVQVKDSLDQLVGGVPVTLNAQTIDVNQETSDLDPSKSVTRVDDGVA SFVLNLPSGVTVLEFNVKTDAPDLPEENQAREGYRAIAYSSLSQSYLYIDWTDNHKALLVGEHLNIIVTPKSPYIDKITH YNYLILSKGKIIHFGTREKFSDASYQSINIPVTQNMVPSSRLLVYYIVTGEQTAELVSDSVWLNIEEKCGNQLQVHLSPD ADAYSPGQTVSLNMATGMDSWVALAAVDSAVYGVQRGAKKPLERVFQFLEKSDLGCGAGGGLNNANVFHLAGLTFLTNAN ADDSQENDEPCKEILR ; 19 2 UNP CO5_HUMAN P01031 ? 2 ;LQKKIEEIAAKYKHSVVKKCCYDGACVNNDETCEQRAARISLGPRCIKAFTECCVVASQLRANISHKDMQLGRLHMKTLL PVSKPEIRSYFPESWLWEVHLVPRRKQLQFALPDSLTTWEIQGVGISNTGICVADTVKAKVFKDVFLEMNIPYSVVRGEQ IQLKGTVYNYRTSGMQFCVKMSAVEGICTSESPVIDHQGTKSSKCVRQKVEGSSSHLVTFTVLPLEIGLHNINFSLETWF GKEILVKTLRVVPEGVKRESYSGVTLDPRGIYGTISRRKEFPYRIPLDLVPKTEIKRILSVKGLLVGEILSAVLSQEGIN ILTHLPKGSAEAELMSVVPVFYVFHYLETGNHWNIFHSDPLIEKQKLKKKLKEGMLSIMSYRNADYSYSVWKGGSASTWL TAFALRVLGQVNKYVEQNQNSICNSLLWLVENYQLDNGSFKENSQYQPIKLQGTLPVEARENSLYLTAFTVIGIRKAFDI CPLVKIDTALIKADNFLLENTLPAQSTFTLAISAYALSLGDKTHPQFRSIVSALKREALVKGNPPIYRFWKDNLQHKDSS VPNTGTARMVETTAYALLTSLNLKDINYVNPVIKWLSEEQRYGGGFYSTQDTINAIEGLTEYSLLVKQLRLSMDIDVSYK HKGALHNYKMTDKNFLGRPVEVLLNDDLIVSTGFGSGLATVHVTTVVHKTSTSEEVCSFYLKIDTQDIEASHYRGYGNSD YKRIVACASYKPSREESSSGSSHAVMDISLPTGISANEEDLKALVEGVDQLFTDYQIKDGHVILQLNSIPSSDFLCVRFR IFELFEVGFLSPATFTVYEYHRPDKQCTMFYSTSNIKIQKVCEGAACKCVEADCGQMQEELDLTISAETRKQTACKPEIA YAYKVSITSITVENVFVKYKATLLDIYKTGEAVAEKDSEITFIKKVTCTNAELVKGRQYLIMGKEALQIKYNFSFRYIYP LDSLTWIEYWPRDTTCSSCQAFLANLDEFAEDIFLNGC ; 679 3 UNP Q5YD59_ORNMO Q5YD59 ? 3 ;DSESDCTGSEPVDAFQAFSEGKEAYVLVRSTDPKARDCLKGEPAGEKQDNTLPVMMTFKNGTDWASTDWTFTLDGAKVTA TLGNLTQNREVVYDSQSHHCHVDKVEKEVPDYEMWMLDAGGLEVEVECCRQKLEELASGRNQMYPHLKDC ; 19 4 PDB 5HCC 5HCC ? 4 ? 1 # loop_ _struct_ref_seq.align_id _struct_ref_seq.ref_id _struct_ref_seq.pdbx_PDB_id_code _struct_ref_seq.pdbx_strand_id _struct_ref_seq.seq_align_beg _struct_ref_seq.pdbx_seq_align_beg_ins_code _struct_ref_seq.seq_align_end _struct_ref_seq.pdbx_seq_align_end_ins_code _struct_ref_seq.pdbx_db_accession _struct_ref_seq.db_align_beg _struct_ref_seq.pdbx_db_align_beg_ins_code _struct_ref_seq.db_align_end _struct_ref_seq.pdbx_db_align_end_ins_code _struct_ref_seq.pdbx_auth_seq_align_beg _struct_ref_seq.pdbx_auth_seq_align_end 1 1 5HCC B 1 ? 656 ? P01031 19 ? 674 ? 19 674 2 2 5HCC A 1 ? 998 ? P01031 679 ? 1676 ? 679 1676 3 3 5HCC C 16 ? 165 ? Q5YD59 19 ? 168 ? 19 168 4 4 5HCC D 1 ? 81 ? 5HCC -1 ? 79 ? -1 79 # loop_ _struct_ref_seq_dif.align_id _struct_ref_seq_dif.pdbx_pdb_id_code _struct_ref_seq_dif.mon_id _struct_ref_seq_dif.pdbx_pdb_strand_id _struct_ref_seq_dif.seq_num _struct_ref_seq_dif.pdbx_pdb_ins_code _struct_ref_seq_dif.pdbx_seq_db_name _struct_ref_seq_dif.pdbx_seq_db_accession_code _struct_ref_seq_dif.db_mon_id _struct_ref_seq_dif.pdbx_seq_db_seq_num _struct_ref_seq_dif.details _struct_ref_seq_dif.pdbx_auth_seq_num _struct_ref_seq_dif.pdbx_ordinal 3 5HCC MET C 1 ? UNP Q5YD59 ? ? 'initiating methionine' 4 1 3 5HCC ALA C 2 ? UNP Q5YD59 ? ? 'expression tag' 5 2 3 5HCC SER C 3 ? UNP Q5YD59 ? ? 'expression tag' 6 3 3 5HCC HIS C 4 ? UNP Q5YD59 ? ? 'expression tag' 7 4 3 5HCC HIS C 5 ? UNP Q5YD59 ? ? 'expression tag' 8 5 3 5HCC HIS C 6 ? UNP Q5YD59 ? ? 'expression tag' 9 6 3 5HCC HIS C 7 ? UNP Q5YD59 ? ? 'expression tag' 10 7 3 5HCC HIS C 8 ? UNP Q5YD59 ? ? 'expression tag' 11 8 3 5HCC HIS C 9 ? UNP Q5YD59 ? ? 'expression tag' 12 9 3 5HCC HIS C 10 ? UNP Q5YD59 ? ? 'expression tag' 13 10 3 5HCC HIS C 11 ? UNP Q5YD59 ? ? 'expression tag' 14 11 3 5HCC HIS C 12 ? UNP Q5YD59 ? ? 'expression tag' 15 12 3 5HCC HIS C 13 ? UNP Q5YD59 ? ? 'expression tag' 16 13 3 5HCC SER C 14 ? UNP Q5YD59 ? ? 'expression tag' 17 14 3 5HCC GLY C 15 ? UNP Q5YD59 ? ? 'expression tag' 18 15 3 5HCC GLN C 75 ? UNP Q5YD59 ASN 78 'engineered mutation' 78 16 3 5HCC GLN C 99 ? UNP Q5YD59 ASN 102 'engineered mutation' 102 17 # loop_ _chem_comp.id _chem_comp.type _chem_comp.mon_nstd_flag _chem_comp.name _chem_comp.pdbx_synonyms _chem_comp.formula _chem_comp.formula_weight ALA 'L-peptide linking' y ALANINE ? 'C3 H7 N O2' 89.093 ARG 'L-peptide linking' y ARGININE ? 'C6 H15 N4 O2 1' 175.209 ASN 'L-peptide linking' y ASPARAGINE ? 'C4 H8 N2 O3' 132.118 ASP 'L-peptide linking' y 'ASPARTIC ACID' ? 'C4 H7 N O4' 133.103 CYS 'L-peptide linking' y CYSTEINE ? 'C3 H7 N O2 S' 121.158 DIO non-polymer . '1,4-DIETHYLENE DIOXIDE' ? 'C4 H8 O2' 88.105 EDO non-polymer . 1,2-ETHANEDIOL 'ETHYLENE GLYCOL' 'C2 H6 O2' 62.068 GLN 'L-peptide linking' y GLUTAMINE ? 'C5 H10 N2 O3' 146.144 GLU 'L-peptide linking' y 'GLUTAMIC ACID' ? 'C5 H9 N O4' 147.129 GLY 'peptide linking' y GLYCINE ? 'C2 H5 N O2' 75.067 HIS 'L-peptide linking' y HISTIDINE ? 'C6 H10 N3 O2 1' 156.162 HOH non-polymer . WATER ? 'H2 O' 18.015 ILE 'L-peptide linking' y ISOLEUCINE ? 'C6 H13 N O2' 131.173 LEU 'L-peptide linking' y LEUCINE ? 'C6 H13 N O2' 131.173 LYS 'L-peptide linking' y LYSINE ? 'C6 H15 N2 O2 1' 147.195 MET 'L-peptide linking' y METHIONINE ? 'C5 H11 N O2 S' 149.211 NAG D-saccharide . N-ACETYL-D-GLUCOSAMINE ? 'C8 H15 N O6' 221.208 PHE 'L-peptide linking' y PHENYLALANINE ? 'C9 H11 N O2' 165.189 PRO 'L-peptide linking' y PROLINE ? 'C5 H9 N O2' 115.130 SER 'L-peptide linking' y SERINE ? 'C3 H7 N O3' 105.093 THR 'L-peptide linking' y THREONINE ? 'C4 H9 N O3' 119.119 TRP 'L-peptide linking' y TRYPTOPHAN ? 'C11 H12 N2 O2' 204.225 TYR 'L-peptide linking' y TYROSINE ? 'C9 H11 N O3' 181.189 VAL 'L-peptide linking' y VALINE ? 'C5 H11 N O2' 117.146 # _exptl.absorpt_coefficient_mu ? _exptl.absorpt_correction_T_max ? _exptl.absorpt_correction_T_min ? _exptl.absorpt_correction_type ? _exptl.absorpt_process_details ? _exptl.entry_id 5HCC _exptl.crystals_number ? _exptl.details ? _exptl.method 'X-RAY DIFFRACTION' _exptl.method_details ? # _exptl_crystal.colour ? _exptl_crystal.density_diffrn ? _exptl_crystal.density_Matthews 3.7 _exptl_crystal.density_method ? _exptl_crystal.density_percent_sol 66 _exptl_crystal.description ? _exptl_crystal.F_000 ? _exptl_crystal.id 1 _exptl_crystal.preparation ? _exptl_crystal.size_max ? _exptl_crystal.size_mid ? _exptl_crystal.size_min ? _exptl_crystal.size_rad ? _exptl_crystal.colour_lustre ? _exptl_crystal.colour_modifier ? _exptl_crystal.colour_primary ? _exptl_crystal.density_meas ? _exptl_crystal.density_meas_esd ? _exptl_crystal.density_meas_gt ? _exptl_crystal.density_meas_lt ? _exptl_crystal.density_meas_temp ? _exptl_crystal.density_meas_temp_esd ? _exptl_crystal.density_meas_temp_gt ? _exptl_crystal.density_meas_temp_lt ? _exptl_crystal.pdbx_crystal_image_url ? _exptl_crystal.pdbx_crystal_image_format ? _exptl_crystal.pdbx_mosaicity ? _exptl_crystal.pdbx_mosaicity_esd ? # _exptl_crystal_grow.apparatus ? _exptl_crystal_grow.atmosphere ? _exptl_crystal_grow.crystal_id 1 _exptl_crystal_grow.details ? _exptl_crystal_grow.method 'VAPOR DIFFUSION, SITTING DROP' _exptl_crystal_grow.method_ref ? _exptl_crystal_grow.pH 9.0 _exptl_crystal_grow.pressure ? _exptl_crystal_grow.pressure_esd ? _exptl_crystal_grow.seeding ? _exptl_crystal_grow.seeding_ref ? _exptl_crystal_grow.temp 294 _exptl_crystal_grow.temp_details ? _exptl_crystal_grow.temp_esd ? _exptl_crystal_grow.time ? _exptl_crystal_grow.pdbx_details '10% PEG 20K, 2% v/v 1,4 Dioxane, 0.1 M Bicine pH 9.0' _exptl_crystal_grow.pdbx_pH_range ? # _diffrn.ambient_environment ? _diffrn.ambient_temp 100 _diffrn.ambient_temp_details ? _diffrn.ambient_temp_esd ? _diffrn.crystal_id 1 _diffrn.crystal_support ? _diffrn.crystal_treatment ? _diffrn.details ? _diffrn.id 1 _diffrn.ambient_pressure ? _diffrn.ambient_pressure_esd ? _diffrn.ambient_pressure_gt ? _diffrn.ambient_pressure_lt ? _diffrn.ambient_temp_gt ? _diffrn.ambient_temp_lt ? # _diffrn_detector.details ? _diffrn_detector.detector PIXEL _diffrn_detector.diffrn_id 1 _diffrn_detector.type 'DECTRIS PILATUS 6M-F' _diffrn_detector.area_resol_mean ? _diffrn_detector.dtime ? _diffrn_detector.pdbx_frames_total ? _diffrn_detector.pdbx_collection_time_total ? _diffrn_detector.pdbx_collection_date 2015-05-15 # _diffrn_radiation.collimation ? _diffrn_radiation.diffrn_id 1 _diffrn_radiation.filter_edge ? _diffrn_radiation.inhomogeneity ? _diffrn_radiation.monochromator ? _diffrn_radiation.polarisn_norm ? _diffrn_radiation.polarisn_ratio ? _diffrn_radiation.probe ? _diffrn_radiation.type ? _diffrn_radiation.xray_symbol ? _diffrn_radiation.wavelength_id 1 _diffrn_radiation.pdbx_monochromatic_or_laue_m_l M _diffrn_radiation.pdbx_wavelength_list ? _diffrn_radiation.pdbx_wavelength ? _diffrn_radiation.pdbx_diffrn_protocol 'SINGLE WAVELENGTH' _diffrn_radiation.pdbx_analyzer ? _diffrn_radiation.pdbx_scattering_type x-ray # _diffrn_radiation_wavelength.id 1 _diffrn_radiation_wavelength.wavelength 0.97935 _diffrn_radiation_wavelength.wt 1.0 # _diffrn_source.current ? _diffrn_source.details ? _diffrn_source.diffrn_id 1 _diffrn_source.power ? _diffrn_source.size ? _diffrn_source.source SYNCHROTRON _diffrn_source.target ? _diffrn_source.type 'DIAMOND BEAMLINE I02' _diffrn_source.voltage ? _diffrn_source.take-off_angle ? _diffrn_source.pdbx_wavelength_list 0.97935 _diffrn_source.pdbx_wavelength ? _diffrn_source.pdbx_synchrotron_beamline I02 _diffrn_source.pdbx_synchrotron_site Diamond # _reflns.B_iso_Wilson_estimate 52.13 _reflns.entry_id 5HCC _reflns.data_reduction_details ? _reflns.data_reduction_method ? _reflns.d_resolution_high 2.59 _reflns.d_resolution_low 66.6 _reflns.details ? _reflns.limit_h_max ? _reflns.limit_h_min ? _reflns.limit_k_max ? _reflns.limit_k_min ? _reflns.limit_l_max ? _reflns.limit_l_min ? _reflns.number_all ? _reflns.number_obs 97166 _reflns.observed_criterion ? _reflns.observed_criterion_F_max ? _reflns.observed_criterion_F_min ? _reflns.observed_criterion_I_max ? _reflns.observed_criterion_I_min ? _reflns.observed_criterion_sigma_F ? _reflns.observed_criterion_sigma_I ? _reflns.percent_possible_obs 99 _reflns.R_free_details ? _reflns.Rmerge_F_all ? _reflns.Rmerge_F_obs ? _reflns.Friedel_coverage ? _reflns.number_gt ? _reflns.threshold_expression ? _reflns.pdbx_redundancy 3.8 _reflns.pdbx_Rmerge_I_obs 0.07919 _reflns.pdbx_Rmerge_I_all ? _reflns.pdbx_Rsym_value 0.09195 _reflns.pdbx_netI_over_av_sigmaI ? _reflns.pdbx_netI_over_sigmaI 9.30 _reflns.pdbx_res_netI_over_av_sigmaI_2 ? _reflns.pdbx_res_netI_over_sigmaI_2 ? _reflns.pdbx_chi_squared ? _reflns.pdbx_scaling_rejects ? _reflns.pdbx_d_res_high_opt ? _reflns.pdbx_d_res_low_opt ? _reflns.pdbx_d_res_opt_method ? _reflns.phase_calculation_details ? _reflns.pdbx_Rrim_I_all ? _reflns.pdbx_Rpim_I_all ? _reflns.pdbx_d_opt ? _reflns.pdbx_number_measured_all ? _reflns.pdbx_diffrn_id 1 _reflns.pdbx_ordinal 1 _reflns.pdbx_CC_half ? _reflns.pdbx_R_split ? # _reflns_shell.d_res_high 2.59 _reflns_shell.d_res_low 2.68 _reflns_shell.meanI_over_sigI_all ? _reflns_shell.meanI_over_sigI_obs 1.44 _reflns_shell.number_measured_all ? _reflns_shell.number_measured_obs ? _reflns_shell.number_possible ? _reflns_shell.number_unique_all ? _reflns_shell.number_unique_obs ? _reflns_shell.percent_possible_all 100 _reflns_shell.percent_possible_obs ? _reflns_shell.Rmerge_F_all ? _reflns_shell.Rmerge_F_obs ? _reflns_shell.Rmerge_I_all ? _reflns_shell.Rmerge_I_obs 0.7866 _reflns_shell.meanI_over_sigI_gt ? _reflns_shell.meanI_over_uI_all ? _reflns_shell.meanI_over_uI_gt ? _reflns_shell.number_measured_gt ? _reflns_shell.number_unique_gt ? _reflns_shell.percent_possible_gt ? _reflns_shell.Rmerge_F_gt ? _reflns_shell.Rmerge_I_gt ? _reflns_shell.pdbx_redundancy 3.7 _reflns_shell.pdbx_Rsym_value ? _reflns_shell.pdbx_chi_squared ? _reflns_shell.pdbx_netI_over_sigmaI_all ? _reflns_shell.pdbx_netI_over_sigmaI_obs ? _reflns_shell.pdbx_Rrim_I_all ? _reflns_shell.pdbx_Rpim_I_all ? _reflns_shell.pdbx_rejects ? _reflns_shell.pdbx_ordinal 1 _reflns_shell.pdbx_diffrn_id 1 _reflns_shell.pdbx_CC_half ? _reflns_shell.pdbx_R_split ? # _refine.aniso_B[1][1] ? _refine.aniso_B[1][2] ? _refine.aniso_B[1][3] ? _refine.aniso_B[2][2] ? _refine.aniso_B[2][3] ? _refine.aniso_B[3][3] ? _refine.B_iso_max ? _refine.B_iso_mean 73.37 _refine.B_iso_min ? _refine.correlation_coeff_Fo_to_Fc ? _refine.correlation_coeff_Fo_to_Fc_free ? _refine.details ? _refine.diff_density_max ? _refine.diff_density_max_esd ? _refine.diff_density_min ? _refine.diff_density_min_esd ? _refine.diff_density_rms ? _refine.diff_density_rms_esd ? _refine.entry_id 5HCC _refine.pdbx_refine_id 'X-RAY DIFFRACTION' _refine.ls_abs_structure_details ? _refine.ls_abs_structure_Flack ? _refine.ls_abs_structure_Flack_esd ? _refine.ls_abs_structure_Rogers ? _refine.ls_abs_structure_Rogers_esd ? _refine.ls_d_res_high 2.590 _refine.ls_d_res_low 66.570 _refine.ls_extinction_coef ? _refine.ls_extinction_coef_esd ? _refine.ls_extinction_expression ? _refine.ls_extinction_method ? _refine.ls_goodness_of_fit_all ? _refine.ls_goodness_of_fit_all_esd ? _refine.ls_goodness_of_fit_obs ? _refine.ls_goodness_of_fit_obs_esd ? _refine.ls_hydrogen_treatment ? _refine.ls_matrix_type ? _refine.ls_number_constraints ? _refine.ls_number_parameters ? _refine.ls_number_reflns_all ? _refine.ls_number_reflns_obs 96742 _refine.ls_number_reflns_R_free 4808 _refine.ls_number_reflns_R_work ? _refine.ls_number_restraints ? _refine.ls_percent_reflns_obs 99.21 _refine.ls_percent_reflns_R_free 4.97 _refine.ls_R_factor_all ? _refine.ls_R_factor_obs 0.2323 _refine.ls_R_factor_R_free 0.2665 _refine.ls_R_factor_R_free_error ? _refine.ls_R_factor_R_free_error_details ? _refine.ls_R_factor_R_work 0.2305 _refine.ls_R_Fsqd_factor_obs ? _refine.ls_R_I_factor_obs ? _refine.ls_redundancy_reflns_all ? _refine.ls_redundancy_reflns_obs ? _refine.ls_restrained_S_all ? _refine.ls_restrained_S_obs ? _refine.ls_shift_over_esd_max ? _refine.ls_shift_over_esd_mean ? _refine.ls_structure_factor_coef ? _refine.ls_weighting_details ? _refine.ls_weighting_scheme ? _refine.ls_wR_factor_all ? _refine.ls_wR_factor_obs ? _refine.ls_wR_factor_R_free ? _refine.ls_wR_factor_R_work ? _refine.occupancy_max ? _refine.occupancy_min ? _refine.solvent_model_details 'FLAT BULK SOLVENT MODEL' _refine.solvent_model_param_bsol ? _refine.solvent_model_param_ksol ? _refine.ls_R_factor_gt ? _refine.ls_goodness_of_fit_gt ? _refine.ls_goodness_of_fit_ref ? _refine.ls_shift_over_su_max ? _refine.ls_shift_over_su_max_lt ? _refine.ls_shift_over_su_mean ? _refine.ls_shift_over_su_mean_lt ? _refine.pdbx_ls_sigma_I ? _refine.pdbx_ls_sigma_F 1.33 _refine.pdbx_ls_sigma_Fsqd ? _refine.pdbx_data_cutoff_high_absF ? _refine.pdbx_data_cutoff_high_rms_absF ? _refine.pdbx_data_cutoff_low_absF ? _refine.pdbx_isotropic_thermal_model ? _refine.pdbx_ls_cross_valid_method THROUGHOUT _refine.pdbx_method_to_determine_struct 'MOLECULAR REPLACEMENT' _refine.pdbx_starting_model '3CU7, 2CM9' _refine.pdbx_stereochemistry_target_values ML _refine.pdbx_R_Free_selection_details Random _refine.pdbx_stereochem_target_val_spec_case ? _refine.pdbx_overall_ESU_R ? _refine.pdbx_overall_ESU_R_Free ? _refine.pdbx_solvent_vdw_probe_radii 1.11 _refine.pdbx_solvent_ion_probe_radii ? _refine.pdbx_solvent_shrinkage_radii 0.90 _refine.pdbx_real_space_R ? _refine.pdbx_density_correlation ? _refine.pdbx_pd_number_of_powder_patterns ? _refine.pdbx_pd_number_of_points ? _refine.pdbx_pd_meas_number_of_points ? _refine.pdbx_pd_proc_ls_prof_R_factor ? _refine.pdbx_pd_proc_ls_prof_wR_factor ? _refine.pdbx_pd_Marquardt_correlation_coeff ? _refine.pdbx_pd_Fsqrd_R_factor ? _refine.pdbx_pd_ls_matrix_band_width ? _refine.pdbx_overall_phase_error 31.65 _refine.pdbx_overall_SU_R_free_Cruickshank_DPI ? _refine.pdbx_overall_SU_R_free_Blow_DPI ? _refine.pdbx_overall_SU_R_Blow_DPI ? _refine.pdbx_TLS_residual_ADP_flag ? _refine.pdbx_diffrn_id 1 _refine.overall_SU_B ? _refine.overall_SU_ML 0.46 _refine.overall_SU_R_Cruickshank_DPI ? _refine.overall_SU_R_free ? _refine.overall_FOM_free_R_set ? _refine.overall_FOM_work_R_set ? _refine.pdbx_average_fsc_overall ? _refine.pdbx_average_fsc_work ? _refine.pdbx_average_fsc_free ? # _refine_hist.pdbx_refine_id 'X-RAY DIFFRACTION' _refine_hist.cycle_id LAST _refine_hist.pdbx_number_atoms_protein 14432 _refine_hist.pdbx_number_atoms_nucleic_acid 0 _refine_hist.pdbx_number_atoms_ligand 40 _refine_hist.number_atoms_solvent 175 _refine_hist.number_atoms_total 14647 _refine_hist.d_res_high 2.590 _refine_hist.d_res_low 66.570 # loop_ _refine_ls_restr.pdbx_refine_id _refine_ls_restr.criterion _refine_ls_restr.dev_ideal _refine_ls_restr.dev_ideal_target _refine_ls_restr.number _refine_ls_restr.rejects _refine_ls_restr.type _refine_ls_restr.weight _refine_ls_restr.pdbx_restraint_function 'X-RAY DIFFRACTION' ? 0.003 ? 14789 ? f_bond_d ? ? 'X-RAY DIFFRACTION' ? 0.606 ? 20055 ? f_angle_d ? ? 'X-RAY DIFFRACTION' ? 11.863 ? 8957 ? f_dihedral_angle_d ? ? 'X-RAY DIFFRACTION' ? 0.044 ? 2277 ? f_chiral_restr ? ? 'X-RAY DIFFRACTION' ? 0.004 ? 2550 ? f_plane_restr ? ? # loop_ _refine_ls_shell.pdbx_refine_id _refine_ls_shell.d_res_high _refine_ls_shell.d_res_low _refine_ls_shell.number_reflns_all _refine_ls_shell.number_reflns_obs _refine_ls_shell.number_reflns_R_free _refine_ls_shell.number_reflns_R_work _refine_ls_shell.percent_reflns_obs _refine_ls_shell.percent_reflns_R_free _refine_ls_shell.R_factor_all _refine_ls_shell.R_factor_obs _refine_ls_shell.R_factor_R_free _refine_ls_shell.R_factor_R_free_error _refine_ls_shell.R_factor_R_work _refine_ls_shell.redundancy_reflns_all _refine_ls_shell.redundancy_reflns_obs _refine_ls_shell.wR_factor_all _refine_ls_shell.wR_factor_obs _refine_ls_shell.wR_factor_R_free _refine_ls_shell.wR_factor_R_work _refine_ls_shell.pdbx_total_number_of_bins_used _refine_ls_shell.pdbx_phase_error _refine_ls_shell.pdbx_fsc_work _refine_ls_shell.pdbx_fsc_free 'X-RAY DIFFRACTION' 2.5900 2.6194 . . 156 2981 98.00 . . . 0.4333 . 0.3991 . . . . . . . . . . 'X-RAY DIFFRACTION' 2.6194 2.6503 . . 146 2999 98.00 . . . 0.4505 . 0.3941 . . . . . . . . . . 'X-RAY DIFFRACTION' 2.6503 2.6826 . . 158 2979 98.00 . . . 0.4238 . 0.3861 . . . . . . . . . . 'X-RAY DIFFRACTION' 2.6826 2.7165 . . 149 2959 98.00 . . . 0.4798 . 0.3965 . . . . . . . . . . 'X-RAY DIFFRACTION' 2.7165 2.7523 . . 160 3041 99.00 . . . 0.3915 . 0.4038 . . . . . . . . . . 'X-RAY DIFFRACTION' 2.7523 2.7900 . . 161 2990 99.00 . . . 0.3934 . 0.3680 . . . . . . . . . . 'X-RAY DIFFRACTION' 2.7900 2.8298 . . 166 3061 99.00 . . . 0.3524 . 0.3570 . . . . . . . . . . 'X-RAY DIFFRACTION' 2.8298 2.8721 . . 140 3033 99.00 . . . 0.3959 . 0.3435 . . . . . . . . . . 'X-RAY DIFFRACTION' 2.8721 2.9170 . . 166 3032 99.00 . . . 0.3685 . 0.3427 . . . . . . . . . . 'X-RAY DIFFRACTION' 2.9170 2.9648 . . 172 3003 99.00 . . . 0.3871 . 0.3182 . . . . . . . . . . 'X-RAY DIFFRACTION' 2.9648 3.0159 . . 129 3080 99.00 . . . 0.3240 . 0.3251 . . . . . . . . . . 'X-RAY DIFFRACTION' 3.0159 3.0708 . . 184 3022 99.00 . . . 0.3526 . 0.3065 . . . . . . . . . . 'X-RAY DIFFRACTION' 3.0708 3.1298 . . 145 3057 100.00 . . . 0.3423 . 0.2965 . . . . . . . . . . 'X-RAY DIFFRACTION' 3.1298 3.1937 . . 165 3072 100.00 . . . 0.3053 . 0.2810 . . . . . . . . . . 'X-RAY DIFFRACTION' 3.1937 3.2631 . . 164 3048 100.00 . . . 0.2819 . 0.2841 . . . . . . . . . . 'X-RAY DIFFRACTION' 3.2631 3.3390 . . 169 3050 100.00 . . . 0.3596 . 0.2855 . . . . . . . . . . 'X-RAY DIFFRACTION' 3.3390 3.4225 . . 148 3094 100.00 . . . 0.2884 . 0.2824 . . . . . . . . . . 'X-RAY DIFFRACTION' 3.4225 3.5151 . . 174 3043 99.00 . . . 0.3358 . 0.2531 . . . . . . . . . . 'X-RAY DIFFRACTION' 3.5151 3.6185 . . 143 3075 100.00 . . . 0.2435 . 0.2369 . . . . . . . . . . 'X-RAY DIFFRACTION' 3.6185 3.7353 . . 179 3070 100.00 . . . 0.2929 . 0.2337 . . . . . . . . . . 'X-RAY DIFFRACTION' 3.7353 3.8688 . . 177 3067 100.00 . . . 0.2805 . 0.2245 . . . . . . . . . . 'X-RAY DIFFRACTION' 3.8688 4.0237 . . 163 3089 100.00 . . . 0.2600 . 0.2120 . . . . . . . . . . 'X-RAY DIFFRACTION' 4.0237 4.2068 . . 153 3095 100.00 . . . 0.2566 . 0.1937 . . . . . . . . . . 'X-RAY DIFFRACTION' 4.2068 4.4285 . . 150 3084 100.00 . . . 0.1942 . 0.1720 . . . . . . . . . . 'X-RAY DIFFRACTION' 4.4285 4.7059 . . 169 3111 100.00 . . . 0.1729 . 0.1551 . . . . . . . . . . 'X-RAY DIFFRACTION' 4.7059 5.0691 . . 150 3111 99.00 . . . 0.1919 . 0.1520 . . . . . . . . . . 'X-RAY DIFFRACTION' 5.0691 5.5790 . . 162 3109 99.00 . . . 0.2025 . 0.1615 . . . . . . . . . . 'X-RAY DIFFRACTION' 5.5790 6.3858 . . 158 3154 100.00 . . . 0.2194 . 0.1963 . . . . . . . . . . 'X-RAY DIFFRACTION' 6.3858 8.0432 . . 166 3171 100.00 . . . 0.2110 . 0.1859 . . . . . . . . . . 'X-RAY DIFFRACTION' 8.0432 66.5918 . . 186 3254 98.00 . . . 0.1852 . 0.1615 . . . . . . . . . . # _struct.entry_id 5HCC _struct.title 'Ternary complex of human Complement C5 with Ornithodoros moubata OmCI and Dermacentor andersoni RaCI3.' _struct.pdbx_descriptor 'Complement C5, Complement inhibitor, Dermacentor andersoni RaCI3' _struct.pdbx_model_details ? _struct.pdbx_formula_weight ? _struct.pdbx_formula_weight_method ? _struct.pdbx_model_type_details ? _struct.pdbx_CASP_flag ? # _struct_keywords.entry_id 5HCC _struct_keywords.text 'Complement, Inflammation, Inhibitor, Tick, immune system' _struct_keywords.pdbx_keywords 'IMMUNE SYSTEM' # loop_ _struct_asym.id _struct_asym.pdbx_blank_PDB_chainid_flag _struct_asym.pdbx_modified _struct_asym.entity_id _struct_asym.details A N N 1 ? B N N 2 ? C N N 3 ? D N N 4 ? E N N 5 ? F N N 5 ? G N N 6 ? H N N 6 ? I N N 5 ? J N N 5 ? K N N 5 ? L N N 7 ? M N N 8 ? N N N 5 ? O N N 5 ? P N N 9 ? Q N N 9 ? R N N 9 ? S N N 9 ? # loop_ _struct_conf.conf_type_id _struct_conf.id _struct_conf.pdbx_PDB_helix_id _struct_conf.beg_label_comp_id _struct_conf.beg_label_asym_id _struct_conf.beg_label_seq_id _struct_conf.pdbx_beg_PDB_ins_code _struct_conf.end_label_comp_id _struct_conf.end_label_asym_id _struct_conf.end_label_seq_id _struct_conf.pdbx_end_PDB_ins_code _struct_conf.beg_auth_comp_id _struct_conf.beg_auth_asym_id _struct_conf.beg_auth_seq_id _struct_conf.end_auth_comp_id _struct_conf.end_auth_asym_id _struct_conf.end_auth_seq_id _struct_conf.pdbx_PDB_helix_class _struct_conf.details _struct_conf.pdbx_PDB_helix_length HELX_P HELX_P1 AA1 GLN A 70 ? LEU A 74 ? GLN B 88 LEU B 92 5 ? 5 HELX_P HELX_P2 AA2 ASP A 284 ? LYS A 290 ? ASP B 302 LYS B 308 1 ? 7 HELX_P HELX_P3 AA3 TYR A 474 ? ILE A 478 ? TYR B 492 ILE B 496 5 ? 5 HELX_P HELX_P4 AA4 THR A 513 ? VAL A 517 ? THR B 531 VAL B 535 5 ? 5 HELX_P HELX_P5 AA5 ALA A 590 ? GLY A 593 ? ALA B 608 GLY B 611 5 ? 4 HELX_P HELX_P6 AA6 ARG A 604 ? GLU A 610 ? ARG B 622 GLU B 628 1 ? 7 HELX_P HELX_P7 AA7 ASN A 623 ? ALA A 631 ? ASN B 641 ALA B 649 1 ? 9 HELX_P HELX_P8 AA8 GLN B 2 ? TYR B 12 ? GLN A 680 TYR A 690 1 ? 11 HELX_P HELX_P9 AA9 LYS B 18 ? ALA B 25 ? LYS A 696 ALA A 703 1 ? 8 HELX_P HELX_P10 AB1 THR B 32 ? ALA B 38 ? THR A 710 ALA A 716 1 ? 7 HELX_P HELX_P11 AB2 GLY B 43 ? ARG B 61 ? GLY A 721 ARG A 739 1 ? 19 HELX_P HELX_P12 AB3 SER B 65 ? LEU B 80 ? SER A 743 LEU A 758 1 ? 16 HELX_P HELX_P13 AB4 VAL B 306 ? SER B 315 ? VAL A 984 SER A 993 1 ? 10 HELX_P HELX_P14 AB5 SER B 329 ? SER B 336 ? SER A 1007 SER A 1014 1 ? 8 HELX_P HELX_P15 AB6 VAL B 337 ? GLY B 350 ? VAL A 1015 GLY A 1028 1 ? 14 HELX_P HELX_P16 AB7 HIS B 352 ? PHE B 356 ? HIS A 1030 PHE A 1034 5 ? 5 HELX_P HELX_P17 AB8 ASP B 359 ? SER B 377 ? ASP A 1037 SER A 1055 1 ? 19 HELX_P HELX_P18 AB9 ILE B 378 ? ARG B 382 ? ILE A 1056 ARG A 1060 5 ? 5 HELX_P HELX_P19 AC1 SER B 397 ? ASN B 412 ? SER A 1075 ASN A 1090 1 ? 16 HELX_P HELX_P20 AC2 ASN B 418 ? TYR B 433 ? ASN A 1096 TYR A 1111 1 ? 16 HELX_P HELX_P21 AC3 THR B 454 ? ALA B 477 ? THR A 1132 ALA A 1155 1 ? 24 HELX_P HELX_P22 AC4 PHE B 478 ? CYS B 481 ? PHE A 1156 CYS A 1159 5 ? 4 HELX_P HELX_P23 AC5 LEU B 483 ? THR B 501 ? LEU A 1161 THR A 1179 1 ? 19 HELX_P HELX_P24 AC6 SER B 506 ? LEU B 519 ? SER A 1184 LEU A 1197 1 ? 14 HELX_P HELX_P25 AC7 HIS B 524 ? GLU B 537 ? HIS A 1202 GLU A 1215 1 ? 14 HELX_P HELX_P26 AC8 THR B 566 ? LEU B 583 ? THR A 1244 LEU A 1261 1 ? 18 HELX_P HELX_P27 AC9 ASP B 585 ? GLN B 600 ? ASP A 1263 GLN A 1278 1 ? 16 HELX_P HELX_P28 AD1 SER B 608 ? VAL B 626 ? SER A 1286 VAL A 1304 1 ? 19 HELX_P HELX_P29 AD2 ASN B 757 ? GLU B 766 ? ASN A 1435 GLU A 1444 1 ? 10 HELX_P HELX_P30 AD3 GLU B 868 ? THR B 873 ? GLU A 1546 THR A 1551 1 ? 6 HELX_P HELX_P31 AD4 SER B 978 ? LEU B 995 ? SER A 1656 LEU A 1673 1 ? 18 HELX_P HELX_P32 AD5 ASP C 28 ? PHE C 33 ? ASP C 31 PHE C 36 1 ? 6 HELX_P HELX_P33 AD6 SER C 34 ? LYS C 37 ? SER C 37 LYS C 40 5 ? 4 HELX_P HELX_P34 AD7 GLU C 138 ? SER C 153 ? GLU C 141 SER C 156 1 ? 16 HELX_P HELX_P35 AD8 TYR C 159 ? LYS C 163 ? TYR C 162 LYS C 166 5 ? 5 # _struct_conf_type.id HELX_P _struct_conf_type.criteria ? _struct_conf_type.reference ? # loop_ _struct_conn.id _struct_conn.conn_type_id _struct_conn.pdbx_leaving_atom_flag _struct_conn.pdbx_PDB_id _struct_conn.ptnr1_label_asym_id _struct_conn.ptnr1_label_comp_id _struct_conn.ptnr1_label_seq_id _struct_conn.ptnr1_label_atom_id _struct_conn.pdbx_ptnr1_label_alt_id _struct_conn.pdbx_ptnr1_PDB_ins_code _struct_conn.pdbx_ptnr1_standard_comp_id _struct_conn.ptnr1_symmetry _struct_conn.ptnr2_label_asym_id _struct_conn.ptnr2_label_comp_id _struct_conn.ptnr2_label_seq_id _struct_conn.ptnr2_label_atom_id _struct_conn.pdbx_ptnr2_label_alt_id _struct_conn.pdbx_ptnr2_PDB_ins_code _struct_conn.ptnr1_auth_asym_id _struct_conn.ptnr1_auth_comp_id _struct_conn.ptnr1_auth_seq_id _struct_conn.ptnr2_auth_asym_id _struct_conn.ptnr2_auth_comp_id _struct_conn.ptnr2_auth_seq_id _struct_conn.ptnr2_symmetry _struct_conn.pdbx_ptnr3_label_atom_id _struct_conn.pdbx_ptnr3_label_seq_id _struct_conn.pdbx_ptnr3_label_comp_id _struct_conn.pdbx_ptnr3_label_asym_id _struct_conn.pdbx_ptnr3_label_alt_id _struct_conn.pdbx_ptnr3_PDB_ins_code _struct_conn.details _struct_conn.pdbx_dist_value _struct_conn.pdbx_value_order disulf1 disulf ? ? A CYS 549 SG ? ? ? 1_555 B CYS 132 SG ? ? B CYS 567 A CYS 810 1_555 ? ? ? ? ? ? ? 2.051 ? disulf2 disulf ? ? A CYS 616 SG ? ? ? 1_555 A CYS 651 SG ? ? B CYS 634 B CYS 669 1_555 ? ? ? ? ? ? ? 2.039 ? disulf3 disulf ? ? B CYS 20 SG ? ? ? 1_555 B CYS 46 SG ? ? A CYS 698 A CYS 724 1_555 ? ? ? ? ? ? ? 2.038 ? disulf4 disulf ? ? B CYS 21 SG ? ? ? 1_555 B CYS 53 SG ? ? A CYS 699 A CYS 731 1_555 ? ? ? ? ? ? ? 2.034 ? disulf5 disulf ? ? B CYS 26 SG ? ? ? 1_555 L CYS . SG ? ? A CYS 704 A CYS 2006 1_555 ? ? ? ? ? ? ? 2.029 ? disulf6 disulf ? ? B CYS 33 SG ? ? ? 1_555 B CYS 54 SG ? ? A CYS 711 A CYS 732 1_555 ? ? ? ? ? ? ? 2.037 ? disulf7 disulf ? ? B CYS 178 SG ? ? ? 1_555 B CYS 205 SG ? ? A CYS 856 A CYS 883 1_555 ? ? ? ? ? ? ? 2.042 ? disulf8 disulf ? ? B CYS 188 SG ? ? ? 1_555 B CYS 849 SG ? ? A CYS 866 A CYS 1527 1_555 ? ? ? ? ? ? ? 2.038 ? disulf9 disulf ? ? B CYS 423 SG ? ? ? 1_555 B CYS 481 SG ? ? A CYS 1101 A CYS 1159 1_555 ? ? ? ? ? ? ? 2.031 ? disulf10 disulf ? ? B CYS 697 SG ? ? ? 1_555 B CYS 827 SG ? ? A CYS 1375 A CYS 1505 1_555 ? ? ? ? ? ? ? 2.059 ? disulf11 disulf ? ? B CYS 727 SG ? ? ? 1_555 B CYS 796 SG ? ? A CYS 1405 A CYS 1474 1_555 ? ? ? ? ? ? ? 2.040 ? disulf12 disulf ? ? B CYS 842 SG ? ? ? 1_555 B CYS 847 SG ? ? A CYS 1520 A CYS 1525 1_555 ? ? ? ? ? ? ? 2.027 ? disulf13 disulf ? ? B CYS 854 SG ? ? ? 1_555 B CYS 928 SG ? ? A CYS 1532 A CYS 1606 1_555 ? ? ? ? ? ? ? 2.031 ? disulf14 disulf ? ? B CYS 875 SG ? ? ? 1_555 B CYS 998 SG ? ? A CYS 1553 A CYS 1676 1_555 ? ? ? ? ? ? ? 2.031 ? disulf15 disulf ? ? B CYS 976 SG ? ? ? 1_555 B CYS 979 SG ? ? A CYS 1654 A CYS 1657 1_555 ? ? ? ? ? ? ? 2.007 ? disulf16 disulf ? ? C CYS 21 SG ? ? ? 1_555 C CYS 143 SG ? ? C CYS 24 C CYS 146 1_555 ? ? ? ? ? ? ? 2.035 ? disulf17 disulf ? ? C CYS 53 SG ? ? ? 1_555 C CYS 165 SG ? ? C CYS 56 C CYS 168 1_555 ? ? ? ? ? ? ? 2.034 ? disulf18 disulf ? ? C CYS 115 SG ? ? ? 1_555 C CYS 144 SG ? ? C CYS 118 C CYS 147 1_555 ? ? ? ? ? ? ? 2.053 ? disulf19 disulf ? ? D CYS 16 SG ? ? ? 1_555 D CYS 40 SG ? ? D CYS 14 D CYS 38 1_555 ? ? ? ? ? ? ? 2.023 ? disulf20 disulf ? ? D CYS 21 SG ? ? ? 1_555 D CYS 42 SG ? ? D CYS 19 D CYS 40 1_555 ? ? ? ? ? ? ? 2.034 ? disulf21 disulf ? ? D CYS 36 SG ? ? ? 1_555 D CYS 57 SG ? ? D CYS 34 D CYS 55 1_555 ? ? ? ? ? ? ? 2.035 ? covale1 covale one ? B ASN 233 ND2 ? ? ? 1_555 G NAG . C1 ? ? A ASN 911 A NAG 2001 1_555 ? ? ? ? ? ? ? 1.434 ? covale2 covale both ? G NAG . O4 ? ? ? 1_555 H NAG . C1 ? ? A NAG 2001 A NAG 2002 1_555 ? ? ? ? ? ? ? 1.446 ? # loop_ _struct_conn_type.id _struct_conn_type.criteria _struct_conn_type.reference disulf ? ? covale ? ? # loop_ _struct_mon_prot_cis.pdbx_id _struct_mon_prot_cis.label_comp_id _struct_mon_prot_cis.label_seq_id _struct_mon_prot_cis.label_asym_id _struct_mon_prot_cis.label_alt_id _struct_mon_prot_cis.pdbx_PDB_ins_code _struct_mon_prot_cis.auth_comp_id _struct_mon_prot_cis.auth_seq_id _struct_mon_prot_cis.auth_asym_id _struct_mon_prot_cis.pdbx_label_comp_id_2 _struct_mon_prot_cis.pdbx_label_seq_id_2 _struct_mon_prot_cis.pdbx_label_asym_id_2 _struct_mon_prot_cis.pdbx_PDB_ins_code_2 _struct_mon_prot_cis.pdbx_auth_comp_id_2 _struct_mon_prot_cis.pdbx_auth_seq_id_2 _struct_mon_prot_cis.pdbx_auth_asym_id_2 _struct_mon_prot_cis.pdbx_PDB_model_num _struct_mon_prot_cis.pdbx_omega_angle 1 TYR 41 A . ? TYR 59 B PRO 42 A ? PRO 60 B 1 -1.03 2 HIS 455 A . ? HIS 473 B LYS 456 A ? LYS 474 B 1 2.68 3 VAL 517 A . ? VAL 535 B PRO 518 A ? PRO 536 B 1 -2.00 4 SER 558 A . ? SER 576 B PRO 559 A ? PRO 577 B 1 1.97 5 GLY 318 B . ? GLY 996 A ILE 319 B ? ILE 997 A 1 -4.89 6 LEU 502 B . ? LEU 1180 A PRO 503 B ? PRO 1181 A 1 0.95 7 ASN 543 B . ? ASN 1221 A PRO 544 B ? PRO 1222 A 1 1.56 8 LYS 837 B . ? LYS 1515 A ILE 838 B ? ILE 1516 A 1 13.18 9 GLU 25 C . ? GLU 28 C PRO 26 C ? PRO 29 C 1 0.69 # loop_ _struct_sheet.id _struct_sheet.type _struct_sheet.number_strands _struct_sheet.details AA1 ? 4 ? AA2 ? 5 ? AA3 ? 3 ? AA4 ? 5 ? AA5 ? 2 ? AA6 ? 2 ? AA7 ? 3 ? AA8 ? 3 ? AA9 ? 5 ? AB1 ? 5 ? AB2 ? 3 ? AB3 ? 5 ? AB4 ? 5 ? AB5 ? 3 ? AB6 ? 4 ? AB7 ? 3 ? AB8 ? 4 ? AB9 ? 4 ? AC1 ? 4 ? AC2 ? 3 ? AC3 ? 5 ? AC4 ? 4 ? AC5 ? 4 ? AC6 ? 3 ? AC7 ? 4 ? AC8 ? 5 ? AC9 ? 7 ? AD1 ? 9 ? AD2 ? 4 ? # loop_ _struct_sheet_order.sheet_id _struct_sheet_order.range_id_1 _struct_sheet_order.range_id_2 _struct_sheet_order.offset _struct_sheet_order.sense AA1 1 2 ? anti-parallel AA1 2 3 ? anti-parallel AA1 3 4 ? anti-parallel AA2 1 2 ? parallel AA2 2 3 ? anti-parallel AA2 3 4 ? anti-parallel AA2 4 5 ? anti-parallel AA3 1 2 ? anti-parallel AA3 2 3 ? anti-parallel AA4 1 2 ? parallel AA4 2 3 ? anti-parallel AA4 3 4 ? anti-parallel AA4 4 5 ? anti-parallel AA5 1 2 ? anti-parallel AA6 1 2 ? parallel AA7 1 2 ? anti-parallel AA7 2 3 ? anti-parallel AA8 1 2 ? anti-parallel AA8 2 3 ? anti-parallel AA9 1 2 ? parallel AA9 2 3 ? anti-parallel AA9 3 4 ? anti-parallel AA9 4 5 ? anti-parallel AB1 1 2 ? parallel AB1 2 3 ? anti-parallel AB1 3 4 ? anti-parallel AB1 4 5 ? anti-parallel AB2 1 2 ? anti-parallel AB2 2 3 ? anti-parallel AB3 1 2 ? parallel AB3 2 3 ? anti-parallel AB3 3 4 ? anti-parallel AB3 4 5 ? anti-parallel AB4 1 2 ? parallel AB4 2 3 ? anti-parallel AB4 3 4 ? anti-parallel AB4 4 5 ? anti-parallel AB5 1 2 ? anti-parallel AB5 2 3 ? anti-parallel AB6 1 2 ? anti-parallel AB6 2 3 ? anti-parallel AB6 3 4 ? anti-parallel AB7 1 2 ? anti-parallel AB7 2 3 ? anti-parallel AB8 1 2 ? anti-parallel AB8 2 3 ? anti-parallel AB8 3 4 ? anti-parallel AB9 1 2 ? anti-parallel AB9 2 3 ? anti-parallel AB9 3 4 ? anti-parallel AC1 1 2 ? anti-parallel AC1 2 3 ? anti-parallel AC1 3 4 ? anti-parallel AC2 1 2 ? anti-parallel AC2 2 3 ? anti-parallel AC3 1 2 ? parallel AC3 2 3 ? anti-parallel AC3 3 4 ? anti-parallel AC3 4 5 ? anti-parallel AC4 1 2 ? anti-parallel AC4 2 3 ? anti-parallel AC4 3 4 ? anti-parallel AC5 1 2 ? anti-parallel AC5 2 3 ? anti-parallel AC5 3 4 ? anti-parallel AC6 1 2 ? anti-parallel AC6 2 3 ? anti-parallel AC7 1 2 ? anti-parallel AC7 2 3 ? anti-parallel AC7 3 4 ? anti-parallel AC8 1 2 ? anti-parallel AC8 2 3 ? anti-parallel AC8 3 4 ? anti-parallel AC8 4 5 ? anti-parallel AC9 1 2 ? anti-parallel AC9 2 3 ? parallel AC9 3 4 ? anti-parallel AC9 4 5 ? anti-parallel AC9 5 6 ? anti-parallel AC9 6 7 ? anti-parallel AD1 1 2 ? anti-parallel AD1 2 3 ? anti-parallel AD1 3 4 ? anti-parallel AD1 4 5 ? anti-parallel AD1 5 6 ? anti-parallel AD1 6 7 ? anti-parallel AD1 7 8 ? anti-parallel AD1 8 9 ? anti-parallel AD2 1 2 ? anti-parallel AD2 2 3 ? anti-parallel AD2 3 4 ? anti-parallel # loop_ _struct_sheet_range.sheet_id _struct_sheet_range.id _struct_sheet_range.beg_label_comp_id _struct_sheet_range.beg_label_asym_id _struct_sheet_range.beg_label_seq_id _struct_sheet_range.pdbx_beg_PDB_ins_code _struct_sheet_range.end_label_comp_id _struct_sheet_range.end_label_asym_id _struct_sheet_range.end_label_seq_id _struct_sheet_range.pdbx_end_PDB_ins_code _struct_sheet_range.beg_auth_comp_id _struct_sheet_range.beg_auth_asym_id _struct_sheet_range.beg_auth_seq_id _struct_sheet_range.end_auth_comp_id _struct_sheet_range.end_auth_asym_id _struct_sheet_range.end_auth_seq_id AA1 1 GLN A 62 ? THR A 68 ? GLN B 80 THR B 86 AA1 2 SER A 18 ? TYR A 26 ? SER B 36 TYR B 44 AA1 3 THR A 4 ? PRO A 10 ? THR B 22 PRO B 28 AA1 4 LEU A 633 ? THR A 637 ? LEU B 651 THR B 655 AA2 1 PHE A 13 ? ARG A 14 ? PHE B 31 ARG B 32 AA2 2 SER A 94 ? THR A 102 ? SER B 112 THR B 120 AA2 3 TYR A 83 ? SER A 90 ? TYR B 101 SER B 108 AA2 4 PHE A 32 ? SER A 40 ? PHE B 50 SER B 58 AA2 5 SER A 47 ? LEU A 55 ? SER B 65 LEU B 73 AA3 1 PHE A 107 ? THR A 112 ? PHE B 125 THR B 130 AA3 2 VAL A 125 ? LEU A 130 ? VAL B 143 LEU B 148 AA3 3 ILE A 164 ? SER A 166 ? ILE B 182 SER B 184 AA4 1 VAL A 116 ? TYR A 117 ? VAL B 134 TYR B 135 AA4 2 THR A 194 ? VAL A 201 ? THR B 212 VAL B 219 AA4 3 GLY A 179 ? TYR A 187 ? GLY B 197 TYR B 205 AA4 4 THR A 141 ? ILE A 146 ? THR B 159 ILE B 164 AA4 5 GLU A 152 ? GLU A 158 ? GLU B 170 GLU B 176 AA5 1 SER A 122 ? VAL A 123 ? SER B 140 VAL B 141 AA5 2 PHE A 170 ? LYS A 171 ? PHE B 188 LYS B 189 AA6 1 GLU A 203 ? TYR A 204 ? GLU B 221 TYR B 222 AA6 2 GLU B 86 ? ILE B 87 ? GLU A 764 ILE A 765 AA7 1 PHE A 209 ? PRO A 215 ? PHE B 227 PRO B 233 AA7 2 PHE A 228 ? TYR A 236 ? PHE B 246 TYR B 254 AA7 3 LYS A 240 ? VAL A 241 ? LYS B 258 VAL B 259 AA8 1 PHE A 209 ? PRO A 215 ? PHE B 227 PRO B 233 AA8 2 PHE A 228 ? TYR A 236 ? PHE B 246 TYR B 254 AA8 3 ILE A 278 ? PHE A 283 ? ILE B 296 PHE B 301 AA9 1 PHE A 219 ? ILE A 220 ? PHE B 237 ILE B 238 AA9 2 SER A 319 ? TYR A 329 ? SER B 337 TYR B 347 AA9 3 TYR A 304 ? GLU A 313 ? TYR B 322 GLU B 331 AA9 4 GLU A 244 ? ARG A 254 ? GLU B 262 ARG B 272 AA9 5 GLU A 263 ? MET A 265 ? GLU B 281 MET B 283 AB1 1 PHE A 219 ? ILE A 220 ? PHE B 237 ILE B 238 AB1 2 SER A 319 ? TYR A 329 ? SER B 337 TYR B 347 AB1 3 TYR A 304 ? GLU A 313 ? TYR B 322 GLU B 331 AB1 4 GLU A 244 ? ARG A 254 ? GLU B 262 ARG B 272 AB1 5 ASN A 271 ? ILE A 275 ? ASN B 289 ILE B 293 AB2 1 LYS A 335 ? LEU A 338 ? LYS B 353 LEU B 356 AB2 2 TYR A 351 ? LYS A 358 ? TYR B 369 LYS B 376 AB2 3 VAL A 399 ? LEU A 404 ? VAL B 417 LEU B 422 AB3 1 PHE A 344 ? LEU A 345 ? PHE B 362 LEU B 363 AB3 2 ARG A 431 ? ALA A 438 ? ARG B 449 ALA B 456 AB3 3 VAL A 410 ? THR A 419 ? VAL B 428 THR B 437 AB3 4 PRO A 369 ? ASP A 378 ? PRO B 387 ASP B 396 AB3 5 THR A 383 ? ASP A 385 ? THR B 401 ASP B 403 AB4 1 PHE A 344 ? LEU A 345 ? PHE B 362 LEU B 363 AB4 2 ARG A 431 ? ALA A 438 ? ARG B 449 ALA B 456 AB4 3 VAL A 410 ? THR A 419 ? VAL B 428 THR B 437 AB4 4 PRO A 369 ? ASP A 378 ? PRO B 387 ASP B 396 AB4 5 SER A 389 ? VAL A 392 ? SER B 407 VAL B 410 AB5 1 TYR A 446 ? ASP A 450 ? TYR B 464 ASP B 468 AB5 2 HIS A 463 ? LYS A 471 ? HIS B 481 LYS B 489 AB5 3 GLN A 506 ? PRO A 511 ? GLN B 524 PRO B 529 AB6 1 LYS A 490 ? GLU A 498 ? LYS B 508 GLU B 516 AB6 2 HIS A 480 ? SER A 487 ? HIS B 498 SER B 505 AB6 3 SER A 519 ? VAL A 528 ? SER B 537 VAL B 546 AB6 4 GLU A 535 ? ASN A 544 ? GLU B 553 ASN B 562 AB7 1 LEU A 553 ? SER A 558 ? LEU B 571 SER B 576 AB7 2 THR A 569 ? THR A 576 ? THR B 587 THR B 594 AB7 3 ARG B 105 ? ALA B 111 ? ARG A 783 ALA A 789 AB8 1 VAL B 99 ? VAL B 102 ? VAL A 777 VAL A 780 AB8 2 SER A 580 ? ASP A 588 ? SER B 598 ASP B 606 AB8 3 THR B 117 ? SER B 127 ? THR A 795 SER A 805 AB8 4 GLY B 130 ? VAL B 133 ? GLY A 808 VAL A 811 AB9 1 VAL B 99 ? VAL B 102 ? VAL A 777 VAL A 780 AB9 2 SER A 580 ? ASP A 588 ? SER B 598 ASP B 606 AB9 3 THR B 117 ? SER B 127 ? THR A 795 SER A 805 AB9 4 VAL B 137 ? VAL B 141 ? VAL A 815 VAL A 819 AC1 1 VAL B 145 ? ASN B 150 ? VAL A 823 ASN A 828 AC1 2 GLN B 160 ? ASN B 169 ? GLN A 838 ASN A 847 AC1 3 SER B 214 ? PRO B 224 ? SER A 892 PRO A 902 AC1 4 ILE B 187 ? THR B 189 ? ILE A 865 THR A 867 AC2 1 VAL B 145 ? ASN B 150 ? VAL A 823 ASN A 828 AC2 2 GLN B 160 ? ASN B 169 ? GLN A 838 ASN A 847 AC2 3 VAL B 807 ? GLY B 808 ? VAL A 1485 GLY A 1486 AC3 1 VAL B 155 ? VAL B 156 ? VAL A 833 VAL A 834 AC3 2 GLY B 241 ? VAL B 252 ? GLY A 919 VAL A 930 AC3 3 GLY B 228 ? THR B 238 ? GLY A 906 THR A 916 AC3 4 MET B 175 ? MET B 181 ? MET A 853 MET A 859 AC3 5 GLN B 208 ? VAL B 210 ? GLN A 886 VAL A 888 AC4 1 VAL B 256 ? LEU B 266 ? VAL A 934 LEU A 944 AC4 2 ALA B 679 ? LYS B 689 ? ALA A 1357 LYS A 1367 AC4 3 LYS B 296 ? LYS B 302 ? LYS A 974 LYS A 980 AC4 4 VAL B 660 ? GLU B 661 ? VAL A 1338 GLU A 1339 AC5 1 ARG B 278 ? PHE B 281 ? ARG A 956 PHE A 959 AC5 2 LEU B 668 ? THR B 672 ? LEU A 1346 THR A 1350 AC5 3 SER B 632 ? TYR B 639 ? SER A 1310 TYR A 1317 AC5 4 HIS B 646 ? THR B 651 ? HIS A 1324 THR A 1329 AC6 1 TYR B 547 ? PHE B 549 ? TYR A 1225 PHE A 1227 AC6 2 LEU B 539 ? LYS B 541 ? LEU A 1217 LYS A 1219 AC6 3 GLY C 136 ? LEU C 137 ? GLY C 139 LEU C 140 AC7 1 PHE B 699 ? GLN B 706 ? PHE A 1377 GLN A 1384 AC7 2 ARG B 723 ? TYR B 730 ? ARG A 1401 TYR A 1408 AC7 3 LEU B 795 ? GLU B 803 ? LEU A 1473 GLU A 1481 AC7 4 ILE B 754 ? ALA B 756 ? ILE A 1432 ALA A 1434 AC8 1 ASP B 774 ? LYS B 778 ? ASP A 1452 LYS A 1456 AC8 2 HIS B 781 ? LEU B 786 ? HIS A 1459 LEU A 1464 AC8 3 ALA B 744 ? SER B 749 ? ALA A 1422 SER A 1427 AC8 4 ALA B 813 ? GLU B 819 ? ALA A 1491 GLU A 1497 AC8 5 ARG B 822 ? TYR B 831 ? ARG A 1500 TYR A 1509 AC9 1 LEU B 947 ? TYR B 951 ? LEU A 1625 TYR A 1629 AC9 2 SER B 954 ? PRO B 960 ? SER A 1632 PRO A 1638 AC9 3 GLU B 919 ? LYS B 925 ? GLU A 1597 LYS A 1603 AC9 4 PHE B 896 ? THR B 909 ? PHE A 1574 THR A 1587 AC9 5 TYR B 881 ? GLU B 893 ? TYR A 1559 GLU A 1571 AC9 6 GLN B 938 ? GLY B 943 ? GLN A 1616 GLY A 1621 AC9 7 TRP B 966 ? TYR B 969 ? TRP A 1644 TYR A 1647 AD1 1 TYR C 40 ? SER C 45 ? TYR C 43 SER C 48 AD1 2 ASP C 52 ? PRO C 58 ? ASP C 55 PRO C 61 AD1 3 THR C 66 ? GLN C 75 ? THR C 69 GLN C 78 AD1 4 ASP C 78 ? ASP C 89 ? ASP C 81 ASP C 92 AD1 5 LYS C 92 ? LEU C 97 ? LYS C 95 LEU C 100 AD1 6 LEU C 100 ? ASP C 109 ? LEU C 103 ASP C 112 AD1 7 CYS C 115 ? VAL C 120 ? CYS C 118 VAL C 123 AD1 8 ASP C 126 ? LEU C 132 ? ASP C 129 LEU C 135 AD1 9 TYR C 40 ? SER C 45 ? TYR C 43 SER C 48 AD2 1 ARG D 31 ? SER D 34 ? ARG D 29 SER D 32 AD2 2 ILE D 20 ? LEU D 25 ? ILE D 18 LEU D 23 AD2 3 ALA D 53 ? ALA D 59 ? ALA D 51 ALA D 57 AD2 4 CYS D 40 ? VAL D 43 ? CYS D 38 VAL D 41 # loop_ _pdbx_struct_sheet_hbond.sheet_id _pdbx_struct_sheet_hbond.range_id_1 _pdbx_struct_sheet_hbond.range_id_2 _pdbx_struct_sheet_hbond.range_1_label_atom_id _pdbx_struct_sheet_hbond.range_1_label_comp_id _pdbx_struct_sheet_hbond.range_1_label_asym_id _pdbx_struct_sheet_hbond.range_1_label_seq_id _pdbx_struct_sheet_hbond.range_1_PDB_ins_code _pdbx_struct_sheet_hbond.range_1_auth_atom_id _pdbx_struct_sheet_hbond.range_1_auth_comp_id _pdbx_struct_sheet_hbond.range_1_auth_asym_id _pdbx_struct_sheet_hbond.range_1_auth_seq_id _pdbx_struct_sheet_hbond.range_2_label_atom_id _pdbx_struct_sheet_hbond.range_2_label_comp_id _pdbx_struct_sheet_hbond.range_2_label_asym_id _pdbx_struct_sheet_hbond.range_2_label_seq_id _pdbx_struct_sheet_hbond.range_2_PDB_ins_code _pdbx_struct_sheet_hbond.range_2_auth_atom_id _pdbx_struct_sheet_hbond.range_2_auth_comp_id _pdbx_struct_sheet_hbond.range_2_auth_asym_id _pdbx_struct_sheet_hbond.range_2_auth_seq_id AA1 1 2 O ASN A 63 ? O ASN B 81 N ILE A 23 ? N ILE B 41 AA1 2 3 O TYR A 26 ? O TYR B 44 N THR A 4 ? N THR B 22 AA1 3 4 N ALA A 9 ? N ALA B 27 O THR A 634 ? O THR B 652 AA2 1 2 N PHE A 13 ? N PHE B 31 O PRO A 100 ? O PRO B 118 AA2 2 3 O MET A 99 ? O MET B 117 N VAL A 84 ? N VAL B 102 AA2 3 4 O VAL A 89 ? O VAL B 107 N THR A 35 ? N THR B 53 AA2 4 5 N ILE A 38 ? N ILE B 56 O SER A 49 ? O SER B 67 AA3 1 2 N HIS A 111 ? N HIS B 129 O ARG A 126 ? O ARG B 144 AA3 2 3 N VAL A 127 ? N VAL B 145 O ILE A 165 ? O ILE B 183 AA4 1 2 N TYR A 117 ? N TYR B 135 O GLU A 200 ? O GLU B 218 AA4 2 3 O PHE A 199 ? O PHE B 217 N TRP A 181 ? N TRP B 199 AA4 3 4 O THR A 182 ? O THR B 200 N ILE A 146 ? N ILE B 164 AA4 4 5 N LEU A 143 ? N LEU B 161 O VAL A 156 ? O VAL B 174 AA5 1 2 N VAL A 123 ? N VAL B 141 O PHE A 170 ? O PHE B 188 AA6 1 2 N GLU A 203 ? N GLU B 221 O ILE B 87 ? O ILE A 765 AA7 1 2 N SER A 212 ? N SER B 230 O LYS A 233 ? O LYS B 251 AA7 2 3 N TYR A 236 ? N TYR B 254 O LYS A 240 ? O LYS B 258 AA8 1 2 N SER A 212 ? N SER B 230 O LYS A 233 ? O LYS B 251 AA8 2 3 N ILE A 230 ? N ILE B 248 O VAL A 281 ? O VAL B 299 AA9 1 2 N ILE A 220 ? N ILE B 238 O LYS A 328 ? O LYS B 346 AA9 2 3 O ALA A 322 ? O ALA B 340 N VAL A 309 ? N VAL B 327 AA9 3 4 O TYR A 304 ? O TYR B 322 N ARG A 254 ? N ARG B 272 AA9 4 5 N ILE A 253 ? N ILE B 271 O GLU A 263 ? O GLU B 281 AB1 1 2 N ILE A 220 ? N ILE B 238 O LYS A 328 ? O LYS B 346 AB1 2 3 O ALA A 322 ? O ALA B 340 N VAL A 309 ? N VAL B 327 AB1 3 4 O TYR A 304 ? O TYR B 322 N ARG A 254 ? N ARG B 272 AB1 4 5 N VAL A 247 ? N VAL B 265 O THR A 272 ? O THR B 290 AB2 1 2 N LYS A 335 ? N LYS B 353 O LYS A 358 ? O LYS B 376 AB2 2 3 N TYR A 351 ? N TYR B 369 O LEU A 404 ? O LEU B 422 AB3 1 2 N LEU A 345 ? N LEU B 363 O ILE A 437 ? O ILE B 455 AB3 2 3 O GLU A 432 ? O GLU B 450 N VAL A 417 ? N VAL B 435 AB3 3 4 O THR A 411 ? O THR B 429 N ILE A 377 ? N ILE B 395 AB3 4 5 N THR A 376 ? N THR B 394 O SER A 384 ? O SER B 402 AB4 1 2 N LEU A 345 ? N LEU B 363 O ILE A 437 ? O ILE B 455 AB4 2 3 O GLU A 432 ? O GLU B 450 N VAL A 417 ? N VAL B 435 AB4 3 4 O THR A 411 ? O THR B 429 N ILE A 377 ? N ILE B 395 AB4 4 5 N VAL A 370 ? N VAL B 388 O SER A 391 ? O SER B 409 AB5 1 2 N TYR A 448 ? N TYR B 466 O THR A 469 ? O THR B 487 AB5 2 3 N ILE A 466 ? N ILE B 484 O ILE A 508 ? O ILE B 526 AB6 1 2 O LYS A 490 ? O LYS B 508 N SER A 487 ? N SER B 505 AB6 2 3 N LEU A 486 ? N LEU B 504 O ARG A 521 ? O ARG B 539 AB6 3 4 N TYR A 526 ? N TYR B 544 O VAL A 537 ? O VAL B 555 AB7 1 2 N SER A 558 ? N SER B 576 O SER A 571 ? O SER B 589 AB7 2 3 N LEU A 572 ? N LEU B 590 O LEU B 108 ? O LEU A 786 AB8 1 2 O VAL B 102 ? O VAL A 780 N SER A 580 ? N SER B 598 AB8 2 3 N ALA A 583 ? N ALA B 601 O VAL B 124 ? O VAL A 802 AB8 3 4 N GLY B 125 ? N GLY A 803 O CYS B 132 ? O CYS A 810 AB9 1 2 O VAL B 102 ? O VAL A 780 N SER A 580 ? N SER B 598 AB9 2 3 N ALA A 583 ? N ALA B 601 O VAL B 124 ? O VAL A 802 AB9 3 4 N ILE B 121 ? N ILE A 799 O VAL B 137 ? O VAL A 815 AC1 1 2 N PHE B 146 ? N PHE A 824 O TYR B 168 ? O TYR A 846 AC1 2 3 N LEU B 163 ? N LEU A 841 O PHE B 220 ? O PHE A 898 AC1 3 4 O LEU B 223 ? O LEU A 901 N CYS B 188 ? N CYS A 866 AC2 1 2 N PHE B 146 ? N PHE A 824 O TYR B 168 ? O TYR A 846 AC2 2 3 N GLN B 160 ? N GLN A 838 O GLY B 808 ? O GLY A 1486 AC3 1 2 N VAL B 155 ? N VAL A 833 O VAL B 252 ? O VAL A 930 AC3 2 3 O LEU B 249 ? O LEU A 927 N HIS B 230 ? N HIS A 908 AC3 3 4 O SER B 235 ? O SER A 913 N LYS B 180 ? N LYS A 858 AC3 4 5 N PHE B 177 ? N PHE A 855 O GLN B 208 ? O GLN A 886 AC4 1 2 N SER B 260 ? N SER A 938 O THR B 685 ? O THR A 1363 AC4 2 3 O HIS B 682 ? O HIS A 1360 N SER B 300 ? N SER A 978 AC4 3 4 N LEU B 299 ? N LEU A 977 O VAL B 660 ? O VAL A 1338 AC5 1 2 N LYS B 279 ? N LYS A 957 O VAL B 670 ? O VAL A 1348 AC5 2 3 O SER B 671 ? O SER A 1349 N ASP B 636 ? N ASP A 1314 AC5 3 4 N VAL B 637 ? N VAL A 1315 O HIS B 646 ? O HIS A 1324 AC6 1 2 O PHE B 549 ? O PHE A 1227 N LEU B 539 ? N LEU A 1217 AC6 2 3 N VAL B 540 ? N VAL A 1218 O GLY C 136 ? O GLY C 139 AC7 1 2 N LYS B 702 ? N LYS A 1380 O CYS B 727 ? O CYS A 1405 AC7 2 3 N ILE B 724 ? N ILE A 1402 O PHE B 799 ? O PHE A 1477 AC7 3 4 O PHE B 802 ? O PHE A 1480 N SER B 755 ? N SER A 1433 AC8 1 2 N GLN B 776 ? N GLN A 1454 O ILE B 783 ? O ILE A 1461 AC8 2 3 O LEU B 784 ? O LEU A 1462 N MET B 746 ? N MET A 1424 AC8 3 4 N ASP B 747 ? N ASP A 1425 O THR B 816 ? O THR A 1494 AC8 4 5 N ALA B 813 ? N ALA A 1491 O TYR B 831 ? O TYR A 1509 AC9 1 2 N TYR B 951 ? N TYR A 1629 O SER B 954 ? O SER A 1632 AC9 2 3 O TYR B 959 ? O TYR A 1637 N THR B 921 ? N THR A 1599 AC9 3 4 O ILE B 920 ? O ILE A 1598 N ALA B 901 ? N ALA A 1579 AC9 4 5 O LYS B 900 ? O LYS A 1578 N THR B 888 ? N THR A 1566 AC9 5 6 N VAL B 885 ? N VAL A 1563 O TYR B 939 ? O TYR A 1617 AC9 6 7 N LEU B 940 ? N LEU A 1618 O GLU B 968 ? O GLU A 1646 AD1 1 2 N TYR C 40 ? N TYR C 43 O GLY C 56 ? O GLY C 59 AD1 2 3 N LYS C 55 ? N LYS C 58 O THR C 72 ? O THR C 75 AD1 3 4 N PHE C 73 ? N PHE C 76 O ALA C 80 ? O ALA C 83 AD1 4 5 N ASP C 89 ? N ASP C 92 O LYS C 92 ? O LYS C 95 AD1 5 6 N VAL C 93 ? N VAL C 96 O ARG C 104 ? O ARG C 107 AD1 6 7 N TYR C 108 ? N TYR C 111 O VAL C 117 ? O VAL C 120 AD1 7 8 N HIS C 116 ? N HIS C 119 O TRP C 130 ? O TRP C 133 AD1 8 9 O MET C 131 ? O MET C 134 N VAL C 41 ? N VAL C 44 AD2 1 2 O SER D 34 ? O SER D 32 N HIS D 22 ? N HIS D 20 AD2 2 3 N ARG D 23 ? N ARG D 21 O ALA D 53 ? O ALA D 51 AD2 3 4 O THR D 56 ? O THR D 54 N VAL D 43 ? N VAL D 41 # loop_ _struct_site.id _struct_site.pdbx_evidence_code _struct_site.pdbx_auth_asym_id _struct_site.pdbx_auth_comp_id _struct_site.pdbx_auth_seq_id _struct_site.pdbx_auth_ins_code _struct_site.pdbx_num_residues _struct_site.details AC1 Software B EDO 701 ? 5 'binding site for residue EDO B 701' AC2 Software B EDO 702 ? 4 'binding site for residue EDO B 702' AC3 Software A EDO 2003 ? 7 'binding site for residue EDO A 2003' AC4 Software A EDO 2004 ? 4 'binding site for residue EDO A 2004' AC5 Software A EDO 2005 ? 5 'binding site for residue EDO A 2005' AC6 Software A CYS 2006 ? 2 'binding site for residue CYS A 2006' AC7 Software A DIO 2007 ? 7 'binding site for residue DIO A 2007' AC8 Software C EDO 201 ? 3 'binding site for residue EDO C 201' AC9 Software D EDO 101 ? 3 'binding site for residue EDO D 101' AD1 Software A ASN 911 ? 5 'binding site for Poly-Saccharide residues NAG D 2001 through NAG D 2002 bound to ASN D 911' # loop_ _struct_site_gen.id _struct_site_gen.site_id _struct_site_gen.pdbx_num_res _struct_site_gen.label_comp_id _struct_site_gen.label_asym_id _struct_site_gen.label_seq_id _struct_site_gen.pdbx_auth_ins_code _struct_site_gen.auth_comp_id _struct_site_gen.auth_asym_id _struct_site_gen.auth_seq_id _struct_site_gen.label_atom_id _struct_site_gen.label_alt_id _struct_site_gen.symmetry _struct_site_gen.details 1 AC1 5 LEU A 108 ? LEU B 126 . ? 1_555 ? 2 AC1 5 PHE A 109 ? PHE B 127 . ? 1_555 ? 3 AC1 5 THR A 196 ? THR B 214 . ? 1_555 ? 4 AC1 5 PHE A 608 ? PHE B 626 . ? 1_555 ? 5 AC1 5 HOH P . ? HOH B 802 . ? 1_555 ? 6 AC2 4 THR A 112 ? THR B 130 . ? 1_555 ? 7 AC2 4 LYS A 114 ? LYS B 132 . ? 1_555 ? 8 AC2 4 PRO A 115 ? PRO B 133 . ? 1_555 ? 9 AC2 4 LEU A 602 ? LEU B 620 . ? 1_555 ? 10 AC3 7 MET B 379 ? MET A 1057 . ? 1_555 ? 11 AC3 7 ARG B 382 ? ARG A 1060 . ? 1_555 ? 12 AC3 7 GLN B 417 ? GLN A 1095 . ? 1_555 ? 13 AC3 7 ASN B 418 ? ASN A 1096 . ? 1_555 ? 14 AC3 7 SER B 421 ? SER A 1099 . ? 1_555 ? 15 AC3 7 EDO K . ? EDO A 2005 . ? 1_555 ? 16 AC3 7 HOH Q . ? HOH A 2129 . ? 1_555 ? 17 AC4 4 GLN B 452 ? GLN A 1130 . ? 1_555 ? 18 AC4 4 SER B 506 ? SER A 1184 . ? 1_555 ? 19 AC4 4 ASP B 552 ? ASP A 1230 . ? 1_555 ? 20 AC4 4 ARG B 568 ? ARG A 1246 . ? 1_555 ? 21 AC5 5 LYS B 372 ? LYS A 1050 . ? 1_555 ? 22 AC5 5 MET B 375 ? MET A 1053 . ? 1_555 ? 23 AC5 5 LEU B 408 ? LEU A 1086 . ? 1_555 ? 24 AC5 5 GLN B 417 ? GLN A 1095 . ? 1_555 ? 25 AC5 5 EDO I . ? EDO A 2003 . ? 1_555 ? 26 AC6 2 TYR B 22 ? TYR A 700 . ? 1_555 ? 27 AC6 2 CYS B 26 ? CYS A 704 . ? 1_555 ? 28 AC7 7 PHE B 341 ? PHE A 1019 . ? 1_555 ? 29 AC7 7 HIS B 345 ? HIS A 1023 . ? 1_555 ? 30 AC7 7 GLN B 410 ? GLN A 1088 . ? 1_555 ? 31 AC7 7 LYS B 476 ? LYS A 1154 . ? 1_555 ? 32 AC7 7 GLU B 617 ? GLU A 1295 . ? 1_555 ? 33 AC7 7 GLU B 621 ? GLU A 1299 . ? 1_555 ? 34 AC7 7 HOH Q . ? HOH A 2130 . ? 1_555 ? 35 AC8 3 ASP C 133 ? ASP C 136 . ? 1_555 ? 36 AC8 3 HOH R . ? HOH C 301 . ? 1_555 ? 37 AC8 3 LYS B 541 ? LYS A 1219 . ? 1_555 ? 38 AC9 3 ARG D 23 ? ARG D 21 . ? 1_555 ? 39 AC9 3 CYS D 42 ? CYS D 40 . ? 1_555 ? 40 AC9 3 ASN B 420 ? ASN A 1098 . ? 1_555 ? 41 AD1 5 ASN A 380 ? ASN B 398 . ? 4_545 ? 42 AD1 5 GLU A 382 ? GLU B 400 . ? 4_545 ? 43 AD1 5 SER B 182 ? SER A 860 . ? 1_555 ? 44 AD1 5 ASN B 231 ? ASN A 909 . ? 1_555 ? 45 AD1 5 ASN B 233 ? ASN A 911 . ? 1_555 ? # _atom_sites.entry_id 5HCC _atom_sites.fract_transf_matrix[1][1] 0.009536 _atom_sites.fract_transf_matrix[1][2] 0.000000 _atom_sites.fract_transf_matrix[1][3] 0.000000 _atom_sites.fract_transf_matrix[2][1] 0.000000 _atom_sites.fract_transf_matrix[2][2] 0.007128 _atom_sites.fract_transf_matrix[2][3] 0.000000 _atom_sites.fract_transf_matrix[3][1] 0.000000 _atom_sites.fract_transf_matrix[3][2] 0.000000 _atom_sites.fract_transf_matrix[3][3] 0.004733 _atom_sites.fract_transf_vector[1] 0.00000 _atom_sites.fract_transf_vector[2] 0.00000 _atom_sites.fract_transf_vector[3] 0.00000 # loop_ _atom_type.symbol C N O S # loop_ _atom_site.group_PDB _atom_site.id _atom_site.type_symbol _atom_site.label_atom_id _atom_site.label_alt_id _atom_site.label_comp_id _atom_site.label_asym_id _atom_site.label_entity_id _atom_site.label_seq_id _atom_site.pdbx_PDB_ins_code _atom_site.Cartn_x _atom_site.Cartn_y _atom_site.Cartn_z _atom_site.occupancy _atom_site.B_iso_or_equiv _atom_site.pdbx_formal_charge _atom_site.auth_seq_id _atom_site.auth_comp_id _atom_site.auth_asym_id _atom_site.auth_atom_id _atom_site.pdbx_PDB_model_num ATOM 1 N N . GLU A 1 2 ? -11.796 0.463 -37.802 1.00 105.40 ? 20 GLU B N 1 ATOM 2 C CA . GLU A 1 2 ? -12.246 -0.222 -36.595 1.00 102.46 ? 20 GLU B CA 1 ATOM 3 C C . GLU A 1 2 ? -11.232 -0.059 -35.466 1.00 91.84 ? 20 GLU B C 1 ATOM 4 O O . GLU A 1 2 ? -10.068 -0.428 -35.608 1.00 90.72 ? 20 GLU B O 1 ATOM 5 C CB . GLU A 1 2 ? -12.483 -1.706 -36.882 1.00 110.99 ? 20 GLU B CB 1 ATOM 6 C CG . GLU A 1 2 ? -13.107 -2.491 -35.733 1.00 117.43 ? 20 GLU B CG 1 ATOM 7 C CD . GLU A 1 2 ? -14.603 -2.266 -35.613 1.00 122.96 ? 20 GLU B CD 1 ATOM 8 O OE1 . GLU A 1 2 ? -15.008 -1.188 -35.129 1.00 125.78 ? 20 GLU B OE1 1 ATOM 9 O OE2 . GLU A 1 2 ? -15.374 -3.166 -36.011 1.00 124.78 ? 20 GLU B OE2 1 ATOM 10 N N . GLN A 1 3 ? -11.683 0.496 -34.344 1.00 86.18 ? 21 GLN B N 1 ATOM 11 C CA . GLN A 1 3 ? -10.842 0.727 -33.178 1.00 85.75 ? 21 GLN B CA 1 ATOM 12 C C . GLN A 1 3 ? -11.449 0.027 -31.970 1.00 83.03 ? 21 GLN B C 1 ATOM 13 O O . GLN A 1 3 ? -12.664 0.076 -31.761 1.00 85.29 ? 21 GLN B O 1 ATOM 14 C CB . GLN A 1 3 ? -10.688 2.224 -32.901 1.00 90.32 ? 21 GLN B CB 1 ATOM 15 C CG . GLN A 1 3 ? -9.989 2.987 -34.015 1.00 96.71 ? 21 GLN B CG 1 ATOM 16 C CD . GLN A 1 3 ? -10.000 4.486 -33.792 1.00 100.13 ? 21 GLN B CD 1 ATOM 17 O OE1 . GLN A 1 3 ? -10.866 5.015 -33.095 1.00 99.63 ? 21 GLN B OE1 1 ATOM 18 N NE2 . GLN A 1 3 ? -9.034 5.180 -34.383 1.00 103.87 ? 21 GLN B NE2 1 ATOM 19 N N . THR A 1 4 ? -10.602 -0.625 -31.175 1.00 77.99 ? 22 THR B N 1 ATOM 20 C CA . THR A 1 4 ? -11.056 -1.471 -30.080 1.00 72.65 ? 22 THR B CA 1 ATOM 21 C C . THR A 1 4 ? -10.306 -1.132 -28.798 1.00 70.09 ? 22 THR B C 1 ATOM 22 O O . THR A 1 4 ? -9.214 -0.560 -28.825 1.00 71.67 ? 22 THR B O 1 ATOM 23 C CB . THR A 1 4 ? -10.852 -2.953 -30.406 1.00 71.92 ? 22 THR B CB 1 ATOM 24 O OG1 . THR A 1 4 ? -9.447 -3.234 -30.453 1.00 76.73 ? 22 THR B OG1 1 ATOM 25 C CG2 . THR A 1 4 ? -11.470 -3.296 -31.753 1.00 64.70 ? 22 THR B CG2 1 ATOM 26 N N . TYR A 1 5 ? -10.904 -1.503 -27.665 1.00 64.47 ? 23 TYR B N 1 ATOM 27 C CA . TYR A 1 5 ? -10.267 -1.354 -26.361 1.00 60.60 ? 23 TYR B CA 1 ATOM 28 C C . TYR A 1 5 ? -10.615 -2.559 -25.499 1.00 60.82 ? 23 TYR B C 1 ATOM 29 O O . TYR A 1 5 ? -11.740 -3.060 -25.553 1.00 56.49 ? 23 TYR B O 1 ATOM 30 C CB . TYR A 1 5 ? -10.693 -0.053 -25.655 1.00 53.12 ? 23 TYR B CB 1 ATOM 31 C CG . TYR A 1 5 ? -12.189 0.097 -25.444 1.00 52.25 ? 23 TYR B CG 1 ATOM 32 C CD1 . TYR A 1 5 ? -12.821 -0.459 -24.335 1.00 60.92 ? 23 TYR B CD1 1 ATOM 33 C CD2 . TYR A 1 5 ? -12.966 0.808 -26.346 1.00 61.00 ? 23 TYR B CD2 1 ATOM 34 C CE1 . TYR A 1 5 ? -14.193 -0.320 -24.142 1.00 59.23 ? 23 TYR B CE1 1 ATOM 35 C CE2 . TYR A 1 5 ? -14.332 0.956 -26.161 1.00 60.60 ? 23 TYR B CE2 1 ATOM 36 C CZ . TYR A 1 5 ? -14.942 0.391 -25.062 1.00 60.21 ? 23 TYR B CZ 1 ATOM 37 O OH . TYR A 1 5 ? -16.302 0.545 -24.895 1.00 58.63 ? 23 TYR B OH 1 ATOM 38 N N . VAL A 1 6 ? -9.650 -3.018 -24.704 1.00 62.93 ? 24 VAL B N 1 ATOM 39 C CA . VAL A 1 6 ? -9.813 -4.183 -23.839 1.00 59.93 ? 24 VAL B CA 1 ATOM 40 C C . VAL A 1 6 ? -9.344 -3.814 -22.437 1.00 55.16 ? 24 VAL B C 1 ATOM 41 O O . VAL A 1 6 ? -8.168 -3.489 -22.239 1.00 57.82 ? 24 VAL B O 1 ATOM 42 C CB . VAL A 1 6 ? -9.033 -5.405 -24.354 1.00 54.87 ? 24 VAL B CB 1 ATOM 43 C CG1 . VAL A 1 6 ? -9.264 -6.595 -23.436 1.00 48.92 ? 24 VAL B CG1 1 ATOM 44 C CG2 . VAL A 1 6 ? -9.434 -5.738 -25.779 1.00 52.25 ? 24 VAL B CG2 1 ATOM 45 N N . ILE A 1 7 ? -10.255 -3.875 -21.469 1.00 53.42 ? 25 ILE B N 1 ATOM 46 C CA . ILE A 1 7 ? -9.953 -3.617 -20.065 1.00 50.34 ? 25 ILE B CA 1 ATOM 47 C C . ILE A 1 7 ? -10.012 -4.946 -19.328 1.00 50.82 ? 25 ILE B C 1 ATOM 48 O O . ILE A 1 7 ? -11.061 -5.599 -19.297 1.00 52.10 ? 25 ILE B O 1 ATOM 49 C CB . ILE A 1 7 ? -10.933 -2.609 -19.446 1.00 49.26 ? 25 ILE B CB 1 ATOM 50 C CG1 . ILE A 1 7 ? -11.117 -1.394 -20.360 1.00 50.77 ? 25 ILE B CG1 1 ATOM 51 C CG2 . ILE A 1 7 ? -10.455 -2.186 -18.059 1.00 53.44 ? 25 ILE B CG2 1 ATOM 52 C CD1 . ILE A 1 7 ? -9.892 -0.536 -20.491 1.00 49.39 ? 25 ILE B CD1 1 ATOM 53 N N . SER A 1 8 ? -8.896 -5.350 -18.735 1.00 52.59 ? 26 SER B N 1 ATOM 54 C CA . SER A 1 8 ? -8.809 -6.608 -18.009 1.00 44.66 ? 26 SER B CA 1 ATOM 55 C C . SER A 1 8 ? -8.643 -6.329 -16.523 1.00 48.90 ? 26 SER B C 1 ATOM 56 O O . SER A 1 8 ? -7.738 -5.588 -16.121 1.00 50.32 ? 26 SER B O 1 ATOM 57 C CB . SER A 1 8 ? -7.649 -7.459 -18.524 1.00 45.36 ? 26 SER B CB 1 ATOM 58 O OG . SER A 1 8 ? -7.851 -7.794 -19.882 1.00 48.48 ? 26 SER B OG 1 ATOM 59 N N . ALA A 1 9 ? -9.518 -6.920 -15.721 1.00 50.16 ? 27 ALA B N 1 ATOM 60 C CA . ALA A 1 9 ? -9.505 -6.806 -14.272 1.00 46.46 ? 27 ALA B CA 1 ATOM 61 C C . ALA A 1 9 ? -9.793 -8.179 -13.691 1.00 45.48 ? 27 ALA B C 1 ATOM 62 O O . ALA A 1 9 ? -10.292 -9.062 -14.399 1.00 44.67 ? 27 ALA B O 1 ATOM 63 C CB . ALA A 1 9 ? -10.548 -5.794 -13.778 1.00 44.77 ? 27 ALA B CB 1 ATOM 64 N N . PRO A 1 10 ? -9.477 -8.401 -12.415 1.00 44.48 ? 28 PRO B N 1 ATOM 65 C CA . PRO A 1 10 ? -9.892 -9.655 -11.775 1.00 39.21 ? 28 PRO B CA 1 ATOM 66 C C . PRO A 1 10 ? -11.404 -9.812 -11.826 1.00 38.64 ? 28 PRO B C 1 ATOM 67 O O . PRO A 1 10 ? -12.149 -8.831 -11.887 1.00 38.82 ? 28 PRO B O 1 ATOM 68 C CB . PRO A 1 10 ? -9.384 -9.507 -10.335 1.00 38.78 ? 28 PRO B CB 1 ATOM 69 C CG . PRO A 1 10 ? -9.088 -8.047 -10.165 1.00 43.33 ? 28 PRO B CG 1 ATOM 70 C CD . PRO A 1 10 ? -8.649 -7.583 -11.516 1.00 45.65 ? 28 PRO B CD 1 ATOM 71 N N . LYS A 1 11 ? -11.856 -11.071 -11.821 1.00 38.11 ? 29 LYS B N 1 ATOM 72 C CA . LYS A 1 11 ? -13.289 -11.344 -11.867 1.00 37.73 ? 29 LYS B CA 1 ATOM 73 C C . LYS A 1 11 ? -14.026 -10.622 -10.746 1.00 46.65 ? 29 LYS B C 1 ATOM 74 O O . LYS A 1 11 ? -15.150 -10.144 -10.938 1.00 45.83 ? 29 LYS B O 1 ATOM 75 C CB . LYS A 1 11 ? -13.541 -12.849 -11.780 1.00 40.84 ? 29 LYS B CB 1 ATOM 76 C CG . LYS A 1 11 ? -14.999 -13.254 -11.945 1.00 44.52 ? 29 LYS B CG 1 ATOM 77 C CD . LYS A 1 11 ? -15.411 -13.266 -13.408 1.00 57.00 ? 29 LYS B CD 1 ATOM 78 C CE . LYS A 1 11 ? -16.917 -13.422 -13.569 1.00 66.98 ? 29 LYS B CE 1 ATOM 79 N NZ . LYS A 1 11 ? -17.651 -12.248 -13.022 1.00 75.17 ? 29 LYS B NZ 1 ATOM 80 N N . ILE A 1 12 ? -13.391 -10.512 -9.580 1.00 36.98 ? 30 ILE B N 1 ATOM 81 C CA . ILE A 1 12 ? -13.969 -9.928 -8.377 1.00 45.19 ? 30 ILE B CA 1 ATOM 82 C C . ILE A 1 12 ? -12.958 -8.952 -7.794 1.00 44.56 ? 30 ILE B C 1 ATOM 83 O O . ILE A 1 12 ? -11.747 -9.186 -7.872 1.00 46.02 ? 30 ILE B O 1 ATOM 84 C CB . ILE A 1 12 ? -14.330 -11.025 -7.347 1.00 45.49 ? 30 ILE B CB 1 ATOM 85 C CG1 . ILE A 1 12 ? -15.472 -11.876 -7.877 1.00 50.74 ? 30 ILE B CG1 1 ATOM 86 C CG2 . ILE A 1 12 ? -14.734 -10.439 -6.015 1.00 49.50 ? 30 ILE B CG2 1 ATOM 87 C CD1 . ILE A 1 12 ? -16.668 -11.063 -8.281 1.00 51.55 ? 30 ILE B CD1 1 ATOM 88 N N . PHE A 1 13 ? -13.449 -7.853 -7.224 1.00 43.11 ? 31 PHE B N 1 ATOM 89 C CA . PHE A 1 13 ? -12.599 -6.923 -6.493 1.00 43.16 ? 31 PHE B CA 1 ATOM 90 C C . PHE A 1 13 ? -12.506 -7.340 -5.032 1.00 43.66 ? 31 PHE B C 1 ATOM 91 O O . PHE A 1 13 ? -13.495 -7.761 -4.425 1.00 46.59 ? 31 PHE B O 1 ATOM 92 C CB . PHE A 1 13 ? -13.133 -5.495 -6.592 1.00 44.28 ? 31 PHE B CB 1 ATOM 93 C CG . PHE A 1 13 ? -12.806 -4.818 -7.887 1.00 45.99 ? 31 PHE B CG 1 ATOM 94 C CD1 . PHE A 1 13 ? -11.646 -5.134 -8.575 1.00 45.84 ? 31 PHE B CD1 1 ATOM 95 C CD2 . PHE A 1 13 ? -13.659 -3.866 -8.419 1.00 43.44 ? 31 PHE B CD2 1 ATOM 96 C CE1 . PHE A 1 13 ? -11.346 -4.514 -9.768 1.00 42.85 ? 31 PHE B CE1 1 ATOM 97 C CE2 . PHE A 1 13 ? -13.365 -3.245 -9.610 1.00 43.83 ? 31 PHE B CE2 1 ATOM 98 C CZ . PHE A 1 13 ? -12.207 -3.566 -10.288 1.00 42.71 ? 31 PHE B CZ 1 ATOM 99 N N . ARG A 1 14 ? -11.309 -7.216 -4.474 1.00 42.75 ? 32 ARG B N 1 ATOM 100 C CA . ARG A 1 14 ? -11.022 -7.650 -3.114 1.00 44.80 ? 32 ARG B CA 1 ATOM 101 C C . ARG A 1 14 ? -10.719 -6.426 -2.264 1.00 43.46 ? 32 ARG B C 1 ATOM 102 O O . ARG A 1 14 ? -9.753 -5.706 -2.535 1.00 46.57 ? 32 ARG B O 1 ATOM 103 C CB . ARG A 1 14 ? -9.848 -8.628 -3.095 1.00 42.99 ? 32 ARG B CB 1 ATOM 104 C CG . ARG A 1 14 ? -9.688 -9.377 -1.799 1.00 42.65 ? 32 ARG B CG 1 ATOM 105 C CD . ARG A 1 14 ? -8.511 -10.337 -1.868 1.00 45.47 ? 32 ARG B CD 1 ATOM 106 N NE . ARG A 1 14 ? -8.676 -11.376 -2.882 1.00 42.26 ? 32 ARG B NE 1 ATOM 107 C CZ . ARG A 1 14 ? -9.326 -12.521 -2.689 1.00 44.98 ? 32 ARG B CZ 1 ATOM 108 N NH1 . ARG A 1 14 ? -9.893 -12.780 -1.520 1.00 43.28 ? 32 ARG B NH1 1 ATOM 109 N NH2 . ARG A 1 14 ? -9.415 -13.409 -3.672 1.00 52.70 ? 32 ARG B NH2 1 ATOM 110 N N . VAL A 1 15 ? -11.550 -6.194 -1.245 1.00 37.46 ? 33 VAL B N 1 ATOM 111 C CA . VAL A 1 15 ? -11.393 -5.024 -0.390 1.00 38.27 ? 33 VAL B CA 1 ATOM 112 C C . VAL A 1 15 ? -9.989 -4.986 0.189 1.00 41.23 ? 33 VAL B C 1 ATOM 113 O O . VAL A 1 15 ? -9.496 -5.976 0.742 1.00 37.90 ? 33 VAL B O 1 ATOM 114 C CB . VAL A 1 15 ? -12.451 -5.036 0.722 1.00 41.26 ? 33 VAL B CB 1 ATOM 115 C CG1 . VAL A 1 15 ? -12.168 -3.939 1.740 1.00 42.18 ? 33 VAL B CG1 1 ATOM 116 C CG2 . VAL A 1 15 ? -13.841 -4.883 0.126 1.00 40.95 ? 33 VAL B CG2 1 ATOM 117 N N . GLY A 1 16 ? -9.335 -3.836 0.057 1.00 39.65 ? 34 GLY B N 1 ATOM 118 C CA . GLY A 1 16 ? -8.015 -3.651 0.609 1.00 41.85 ? 34 GLY B CA 1 ATOM 119 C C . GLY A 1 16 ? -6.885 -4.157 -0.252 1.00 43.94 ? 34 GLY B C 1 ATOM 120 O O . GLY A 1 16 ? -5.720 -3.861 0.046 1.00 46.85 ? 34 GLY B O 1 ATOM 121 N N . ALA A 1 17 ? -7.181 -4.898 -1.312 1.00 44.52 ? 35 ALA B N 1 ATOM 122 C CA . ALA A 1 17 ? -6.156 -5.429 -2.193 1.00 46.49 ? 35 ALA B CA 1 ATOM 123 C C . ALA A 1 17 ? -5.771 -4.413 -3.261 1.00 54.64 ? 35 ALA B C 1 ATOM 124 O O . ALA A 1 17 ? -6.595 -3.624 -3.732 1.00 51.34 ? 35 ALA B O 1 ATOM 125 C CB . ALA A 1 17 ? -6.631 -6.717 -2.861 1.00 38.94 ? 35 ALA B CB 1 ATOM 126 N N . SER A 1 18 ? -4.497 -4.448 -3.640 1.00 60.23 ? 36 SER B N 1 ATOM 127 C CA . SER A 1 18 ? -3.992 -3.663 -4.761 1.00 62.88 ? 36 SER B CA 1 ATOM 128 C C . SER A 1 18 ? -4.345 -4.408 -6.042 1.00 61.70 ? 36 SER B C 1 ATOM 129 O O . SER A 1 18 ? -3.643 -5.334 -6.456 1.00 65.03 ? 36 SER B O 1 ATOM 130 C CB . SER A 1 18 ? -2.490 -3.442 -4.625 1.00 70.94 ? 36 SER B CB 1 ATOM 131 O OG . SER A 1 18 ? -1.812 -4.665 -4.390 1.00 79.29 ? 36 SER B OG 1 ATOM 132 N N . GLU A 1 19 ? -5.452 -4.015 -6.664 1.00 60.21 ? 37 GLU B N 1 ATOM 133 C CA . GLU A 1 19 ? -5.954 -4.675 -7.860 1.00 54.40 ? 37 GLU B CA 1 ATOM 134 C C . GLU A 1 19 ? -5.372 -3.996 -9.094 1.00 53.05 ? 37 GLU B C 1 ATOM 135 O O . GLU A 1 19 ? -5.548 -2.788 -9.290 1.00 57.05 ? 37 GLU B O 1 ATOM 136 C CB . GLU A 1 19 ? -7.481 -4.640 -7.887 1.00 52.81 ? 37 GLU B CB 1 ATOM 137 C CG . GLU A 1 19 ? -8.147 -5.192 -6.627 1.00 58.34 ? 37 GLU B CG 1 ATOM 138 C CD . GLU A 1 19 ? -8.165 -6.715 -6.564 1.00 67.30 ? 37 GLU B CD 1 ATOM 139 O OE1 . GLU A 1 19 ? -7.139 -7.355 -6.886 1.00 75.01 ? 37 GLU B OE1 1 ATOM 140 O OE2 . GLU A 1 19 ? -9.217 -7.278 -6.193 1.00 65.56 ? 37 GLU B OE2 1 ATOM 141 N N . ASN A 1 20 ? -4.679 -4.770 -9.922 1.00 49.35 ? 38 ASN B N 1 ATOM 142 C CA . ASN A 1 20 ? -4.053 -4.248 -11.126 1.00 52.68 ? 38 ASN B CA 1 ATOM 143 C C . ASN A 1 20 ? -5.023 -4.341 -12.301 1.00 50.72 ? 38 ASN B C 1 ATOM 144 O O . ASN A 1 20 ? -5.552 -5.416 -12.595 1.00 50.03 ? 38 ASN B O 1 ATOM 145 C CB . ASN A 1 20 ? -2.764 -5.010 -11.428 1.00 51.00 ? 38 ASN B CB 1 ATOM 146 C CG . ASN A 1 20 ? -1.949 -4.359 -12.518 1.00 55.72 ? 38 ASN B CG 1 ATOM 147 O OD1 . ASN A 1 20 ? -1.346 -5.039 -13.346 1.00 62.48 ? 38 ASN B OD1 1 ATOM 148 N ND2 . ASN A 1 20 ? -1.935 -3.031 -12.534 1.00 53.00 ? 38 ASN B ND2 1 ATOM 149 N N . ILE A 1 21 ? -5.253 -3.211 -12.963 1.00 45.93 ? 39 ILE B N 1 ATOM 150 C CA . ILE A 1 21 ? -6.203 -3.097 -14.063 1.00 52.79 ? 39 ILE B CA 1 ATOM 151 C C . ILE A 1 21 ? -5.411 -2.797 -15.327 1.00 56.28 ? 39 ILE B C 1 ATOM 152 O O . ILE A 1 21 ? -4.663 -1.814 -15.382 1.00 60.20 ? 39 ILE B O 1 ATOM 153 C CB . ILE A 1 21 ? -7.253 -2.003 -13.801 1.00 52.98 ? 39 ILE B CB 1 ATOM 154 C CG1 . ILE A 1 21 ? -7.750 -2.060 -12.359 1.00 51.68 ? 39 ILE B CG1 1 ATOM 155 C CG2 . ILE A 1 21 ? -8.422 -2.141 -14.762 1.00 55.77 ? 39 ILE B CG2 1 ATOM 156 C CD1 . ILE A 1 21 ? -8.483 -3.319 -12.024 1.00 51.19 ? 39 ILE B CD1 1 ATOM 157 N N . VAL A 1 22 ? -5.579 -3.636 -16.344 1.00 55.59 ? 40 VAL B N 1 ATOM 158 C CA . VAL A 1 22 ? -4.843 -3.521 -17.600 1.00 55.93 ? 40 VAL B CA 1 ATOM 159 C C . VAL A 1 22 ? -5.755 -2.907 -18.651 1.00 57.07 ? 40 VAL B C 1 ATOM 160 O O . VAL A 1 22 ? -6.947 -3.232 -18.720 1.00 57.85 ? 40 VAL B O 1 ATOM 161 C CB . VAL A 1 22 ? -4.319 -4.896 -18.055 1.00 51.30 ? 40 VAL B CB 1 ATOM 162 C CG1 . VAL A 1 22 ? -3.597 -4.788 -19.384 1.00 51.91 ? 40 VAL B CG1 1 ATOM 163 C CG2 . VAL A 1 22 ? -3.410 -5.490 -16.992 1.00 48.79 ? 40 VAL B CG2 1 ATOM 164 N N . ILE A 1 23 ? -5.203 -2.009 -19.464 1.00 57.22 ? 41 ILE B N 1 ATOM 165 C CA . ILE A 1 23 ? -5.912 -1.441 -20.605 1.00 59.01 ? 41 ILE B CA 1 ATOM 166 C C . ILE A 1 23 ? -5.057 -1.643 -21.848 1.00 59.14 ? 41 ILE B C 1 ATOM 167 O O . ILE A 1 23 ? -3.866 -1.312 -21.847 1.00 54.40 ? 41 ILE B O 1 ATOM 168 C CB . ILE A 1 23 ? -6.244 0.050 -20.400 1.00 57.88 ? 41 ILE B CB 1 ATOM 169 C CG1 . ILE A 1 23 ? -6.766 0.664 -21.700 1.00 61.03 ? 41 ILE B CG1 1 ATOM 170 C CG2 . ILE A 1 23 ? -5.031 0.811 -19.887 1.00 58.92 ? 41 ILE B CG2 1 ATOM 171 C CD1 . ILE A 1 23 ? -7.342 2.048 -21.528 1.00 64.75 ? 41 ILE B CD1 1 ATOM 172 N N . GLN A 1 24 ? -5.662 -2.205 -22.896 1.00 62.58 ? 42 GLN B N 1 ATOM 173 C CA . GLN A 1 24 ? -4.979 -2.470 -24.161 1.00 63.53 ? 42 GLN B CA 1 ATOM 174 C C . GLN A 1 24 ? -5.893 -2.016 -25.289 1.00 65.42 ? 42 GLN B C 1 ATOM 175 O O . GLN A 1 24 ? -6.931 -2.638 -25.527 1.00 66.14 ? 42 GLN B O 1 ATOM 176 C CB . GLN A 1 24 ? -4.644 -3.954 -24.311 1.00 54.14 ? 42 GLN B CB 1 ATOM 177 C CG . GLN A 1 24 ? -3.787 -4.516 -23.197 1.00 53.65 ? 42 GLN B CG 1 ATOM 178 C CD . GLN A 1 24 ? -3.659 -6.020 -23.269 1.00 55.82 ? 42 GLN B CD 1 ATOM 179 O OE1 . GLN A 1 24 ? -4.528 -6.700 -23.811 1.00 59.52 ? 42 GLN B OE1 1 ATOM 180 N NE2 . GLN A 1 24 ? -2.570 -6.550 -22.725 1.00 54.85 ? 42 GLN B NE2 1 ATOM 181 N N . VAL A 1 25 ? -5.515 -0.952 -25.991 1.00 64.80 ? 43 VAL B N 1 ATOM 182 C CA . VAL A 1 25 ? -6.320 -0.434 -27.087 1.00 67.22 ? 43 VAL B CA 1 ATOM 183 C C . VAL A 1 25 ? -5.620 -0.725 -28.412 1.00 71.60 ? 43 VAL B C 1 ATOM 184 O O . VAL A 1 25 ? -4.401 -0.920 -28.471 1.00 72.05 ? 43 VAL B O 1 ATOM 185 C CB . VAL A 1 25 ? -6.616 1.074 -26.922 1.00 66.40 ? 43 VAL B CB 1 ATOM 186 C CG1 . VAL A 1 25 ? -7.370 1.321 -25.621 1.00 59.90 ? 43 VAL B CG1 1 ATOM 187 C CG2 . VAL A 1 25 ? -5.331 1.879 -26.966 1.00 69.04 ? 43 VAL B CG2 1 ATOM 188 N N . TYR A 1 26 ? -6.413 -0.761 -29.489 1.00 72.09 ? 44 TYR B N 1 ATOM 189 C CA . TYR A 1 26 ? -5.958 -1.177 -30.812 1.00 68.47 ? 44 TYR B CA 1 ATOM 190 C C . TYR A 1 26 ? -6.634 -0.341 -31.889 1.00 71.10 ? 44 TYR B C 1 ATOM 191 O O . TYR A 1 26 ? -7.824 -0.025 -31.791 1.00 71.22 ? 44 TYR B O 1 ATOM 192 C CB . TYR A 1 26 ? -6.258 -2.662 -31.072 1.00 65.33 ? 44 TYR B CB 1 ATOM 193 C CG . TYR A 1 26 ? -5.787 -3.581 -29.973 1.00 63.34 ? 44 TYR B CG 1 ATOM 194 C CD1 . TYR A 1 26 ? -4.561 -4.227 -30.056 1.00 63.96 ? 44 TYR B CD1 1 ATOM 195 C CD2 . TYR A 1 26 ? -6.564 -3.797 -28.843 1.00 62.97 ? 44 TYR B CD2 1 ATOM 196 C CE1 . TYR A 1 26 ? -4.124 -5.067 -29.043 1.00 63.90 ? 44 TYR B CE1 1 ATOM 197 C CE2 . TYR A 1 26 ? -6.137 -4.631 -27.827 1.00 63.06 ? 44 TYR B CE2 1 ATOM 198 C CZ . TYR A 1 26 ? -4.918 -5.265 -27.929 1.00 62.27 ? 44 TYR B CZ 1 ATOM 199 O OH . TYR A 1 26 ? -4.497 -6.097 -26.911 1.00 55.82 ? 44 TYR B OH 1 ATOM 200 N N . GLY A 1 27 ? -5.876 -0.011 -32.933 1.00 73.89 ? 45 GLY B N 1 ATOM 201 C CA . GLY A 1 27 ? -6.358 0.799 -34.025 1.00 72.80 ? 45 GLY B CA 1 ATOM 202 C C . GLY A 1 27 ? -6.050 2.276 -33.896 1.00 77.08 ? 45 GLY B C 1 ATOM 203 O O . GLY A 1 27 ? -6.202 3.012 -34.875 1.00 86.71 ? 45 GLY B O 1 ATOM 204 N N . TYR A 1 28 ? -5.614 2.722 -32.721 1.00 78.22 ? 46 TYR B N 1 ATOM 205 C CA . TYR A 1 28 ? -5.321 4.127 -32.474 1.00 82.05 ? 46 TYR B CA 1 ATOM 206 C C . TYR A 1 28 ? -3.862 4.418 -32.801 1.00 90.12 ? 46 TYR B C 1 ATOM 207 O O . TYR A 1 28 ? -2.967 3.671 -32.390 1.00 91.86 ? 46 TYR B O 1 ATOM 208 C CB . TYR A 1 28 ? -5.623 4.492 -31.018 1.00 78.10 ? 46 TYR B CB 1 ATOM 209 C CG . TYR A 1 28 ? -7.049 4.193 -30.619 1.00 73.81 ? 46 TYR B CG 1 ATOM 210 C CD1 . TYR A 1 28 ? -8.042 5.157 -30.741 1.00 73.94 ? 46 TYR B CD1 1 ATOM 211 C CD2 . TYR A 1 28 ? -7.408 2.939 -30.140 1.00 67.11 ? 46 TYR B CD2 1 ATOM 212 C CE1 . TYR A 1 28 ? -9.349 4.883 -30.389 1.00 69.36 ? 46 TYR B CE1 1 ATOM 213 C CE2 . TYR A 1 28 ? -8.713 2.657 -29.789 1.00 63.87 ? 46 TYR B CE2 1 ATOM 214 C CZ . TYR A 1 28 ? -9.679 3.634 -29.914 1.00 65.55 ? 46 TYR B CZ 1 ATOM 215 O OH . TYR A 1 28 ? -10.984 3.366 -29.567 1.00 66.77 ? 46 TYR B OH 1 ATOM 216 N N . THR A 1 29 ? -3.628 5.501 -33.543 1.00 94.40 ? 47 THR B N 1 ATOM 217 C CA . THR A 1 29 ? -2.279 5.927 -33.882 1.00 97.56 ? 47 THR B CA 1 ATOM 218 C C . THR A 1 29 ? -1.825 7.167 -33.128 1.00 101.41 ? 47 THR B C 1 ATOM 219 O O . THR A 1 29 ? -0.617 7.358 -32.958 1.00 103.66 ? 47 THR B O 1 ATOM 220 C CB . THR A 1 29 ? -2.168 6.197 -35.390 1.00 97.08 ? 47 THR B CB 1 ATOM 221 O OG1 . THR A 1 29 ? -3.225 7.074 -35.795 1.00 97.63 ? 47 THR B OG1 1 ATOM 222 C CG2 . THR A 1 29 ? -2.259 4.894 -36.172 1.00 94.79 ? 47 THR B CG2 1 ATOM 223 N N . GLU A 1 30 ? -2.755 8.005 -32.676 1.00 102.96 ? 48 GLU B N 1 ATOM 224 C CA . GLU A 1 30 ? -2.437 9.193 -31.898 1.00 107.12 ? 48 GLU B CA 1 ATOM 225 C C . GLU A 1 30 ? -2.564 8.893 -30.410 1.00 101.41 ? 48 GLU B C 1 ATOM 226 O O . GLU A 1 30 ? -3.506 8.222 -29.979 1.00 95.49 ? 48 GLU B O 1 ATOM 227 C CB . GLU A 1 30 ? -3.356 10.356 -32.275 1.00 115.31 ? 48 GLU B CB 1 ATOM 228 C CG . GLU A 1 30 ? -3.089 11.630 -31.487 1.00 123.76 ? 48 GLU B CG 1 ATOM 229 C CD . GLU A 1 30 ? -4.089 12.723 -31.791 1.00 128.49 ? 48 GLU B CD 1 ATOM 230 O OE1 . GLU A 1 30 ? -4.858 12.572 -32.764 1.00 128.70 ? 48 GLU B OE1 1 ATOM 231 O OE2 . GLU A 1 30 ? -4.107 13.732 -31.053 1.00 130.40 ? 48 GLU B OE2 1 ATOM 232 N N . ALA A 1 31 ? -1.613 9.402 -29.630 1.00 102.28 ? 49 ALA B N 1 ATOM 233 C CA . ALA A 1 31 ? -1.598 9.156 -28.196 1.00 97.62 ? 49 ALA B CA 1 ATOM 234 C C . ALA A 1 31 ? -2.775 9.841 -27.509 1.00 96.75 ? 49 ALA B C 1 ATOM 235 O O . ALA A 1 31 ? -3.282 10.869 -27.968 1.00 96.96 ? 49 ALA B O 1 ATOM 236 C CB . ALA A 1 31 ? -0.287 9.645 -27.584 1.00 95.60 ? 49 ALA B CB 1 ATOM 237 N N . PHE A 1 32 ? -3.205 9.255 -26.393 1.00 95.09 ? 50 PHE B N 1 ATOM 238 C CA . PHE A 1 32 ? -4.276 9.827 -25.588 1.00 96.13 ? 50 PHE B CA 1 ATOM 239 C C . PHE A 1 32 ? -4.214 9.218 -24.194 1.00 94.75 ? 50 PHE B C 1 ATOM 240 O O . PHE A 1 32 ? -3.596 8.172 -23.979 1.00 92.83 ? 50 PHE B O 1 ATOM 241 C CB . PHE A 1 32 ? -5.655 9.599 -26.227 1.00 96.88 ? 50 PHE B CB 1 ATOM 242 C CG . PHE A 1 32 ? -6.092 8.158 -26.249 1.00 99.51 ? 50 PHE B CG 1 ATOM 243 C CD1 . PHE A 1 32 ? -5.610 7.285 -27.213 1.00 100.03 ? 50 PHE B CD1 1 ATOM 244 C CD2 . PHE A 1 32 ? -6.999 7.681 -25.315 1.00 101.05 ? 50 PHE B CD2 1 ATOM 245 C CE1 . PHE A 1 32 ? -6.016 5.959 -27.236 1.00 98.21 ? 50 PHE B CE1 1 ATOM 246 C CE2 . PHE A 1 32 ? -7.409 6.357 -25.333 1.00 98.53 ? 50 PHE B CE2 1 ATOM 247 C CZ . PHE A 1 32 ? -6.917 5.496 -26.296 1.00 97.25 ? 50 PHE B CZ 1 ATOM 248 N N . ASP A 1 33 ? -4.861 9.893 -23.249 1.00 96.78 ? 51 ASP B N 1 ATOM 249 C CA . ASP A 1 33 ? -4.897 9.458 -21.861 1.00 92.75 ? 51 ASP B CA 1 ATOM 250 C C . ASP A 1 33 ? -6.256 8.854 -21.527 1.00 91.24 ? 51 ASP B C 1 ATOM 251 O O . ASP A 1 33 ? -7.275 9.195 -22.134 1.00 94.23 ? 51 ASP B O 1 ATOM 252 C CB . ASP A 1 33 ? -4.597 10.624 -20.915 1.00 90.75 ? 51 ASP B CB 1 ATOM 253 C CG . ASP A 1 33 ? -3.194 11.174 -21.093 1.00 93.11 ? 51 ASP B CG 1 ATOM 254 O OD1 . ASP A 1 33 ? -2.256 10.627 -20.477 1.00 93.02 ? 51 ASP B OD1 1 ATOM 255 O OD2 . ASP A 1 33 ? -3.030 12.152 -21.851 1.00 98.08 ? 51 ASP B OD2 1 ATOM 256 N N . ALA A 1 34 ? -6.258 7.943 -20.552 1.00 81.08 ? 52 ALA B N 1 ATOM 257 C CA . ALA A 1 34 ? -7.472 7.281 -20.097 1.00 74.06 ? 52 ALA B CA 1 ATOM 258 C C . ALA A 1 34 ? -7.463 7.186 -18.578 1.00 71.17 ? 52 ALA B C 1 ATOM 259 O O . ALA A 1 34 ? -6.425 6.902 -17.970 1.00 67.79 ? 52 ALA B O 1 ATOM 260 C CB . ALA A 1 34 ? -7.613 5.880 -20.704 1.00 71.16 ? 52 ALA B CB 1 ATOM 261 N N . THR A 1 35 ? -8.622 7.421 -17.971 1.00 67.03 ? 53 THR B N 1 ATOM 262 C CA . THR A 1 35 ? -8.782 7.352 -16.524 1.00 67.94 ? 53 THR B CA 1 ATOM 263 C C . THR A 1 35 ? -9.531 6.076 -16.163 1.00 62.72 ? 53 THR B C 1 ATOM 264 O O . THR A 1 35 ? -10.671 5.871 -16.605 1.00 63.80 ? 53 THR B O 1 ATOM 265 C CB . THR A 1 35 ? -9.521 8.577 -15.981 1.00 67.40 ? 53 THR B CB 1 ATOM 266 O OG1 . THR A 1 35 ? -8.749 9.757 -16.235 1.00 67.85 ? 53 THR B OG1 1 ATOM 267 C CG2 . THR A 1 35 ? -9.743 8.434 -14.481 1.00 58.42 ? 53 THR B CG2 1 ATOM 268 N N . ILE A 1 36 ? -8.880 5.222 -15.376 1.00 57.35 ? 54 ILE B N 1 ATOM 269 C CA . ILE A 1 36 ? -9.495 4.025 -14.814 1.00 57.91 ? 54 ILE B CA 1 ATOM 270 C C . ILE A 1 36 ? -9.918 4.347 -13.389 1.00 57.61 ? 54 ILE B C 1 ATOM 271 O O . ILE A 1 36 ? -9.193 5.019 -12.651 1.00 56.05 ? 54 ILE B O 1 ATOM 272 C CB . ILE A 1 36 ? -8.527 2.828 -14.855 1.00 57.53 ? 54 ILE B CB 1 ATOM 273 C CG1 . ILE A 1 36 ? -7.948 2.662 -16.262 1.00 57.56 ? 54 ILE B CG1 1 ATOM 274 C CG2 . ILE A 1 36 ? -9.238 1.556 -14.426 1.00 54.42 ? 54 ILE B CG2 1 ATOM 275 C CD1 . ILE A 1 36 ? -6.914 1.560 -16.376 1.00 55.31 ? 54 ILE B CD1 1 ATOM 276 N N . SER A 1 37 ? -11.095 3.879 -12.995 1.00 55.80 ? 55 SER B N 1 ATOM 277 C CA . SER A 1 37 ? -11.670 4.342 -11.745 1.00 56.88 ? 55 SER B CA 1 ATOM 278 C C . SER A 1 37 ? -12.543 3.251 -11.140 1.00 54.35 ? 55 SER B C 1 ATOM 279 O O . SER A 1 37 ? -13.216 2.511 -11.861 1.00 52.25 ? 55 SER B O 1 ATOM 280 C CB . SER A 1 37 ? -12.474 5.627 -11.980 1.00 61.62 ? 55 SER B CB 1 ATOM 281 O OG . SER A 1 37 ? -12.951 6.173 -10.768 1.00 71.06 ? 55 SER B OG 1 ATOM 282 N N . ILE A 1 38 ? -12.498 3.137 -9.818 1.00 52.89 ? 56 ILE B N 1 ATOM 283 C CA . ILE A 1 38 ? -13.443 2.331 -9.056 1.00 49.94 ? 56 ILE B CA 1 ATOM 284 C C . ILE A 1 38 ? -14.277 3.304 -8.236 1.00 52.92 ? 56 ILE B C 1 ATOM 285 O O . ILE A 1 38 ? -13.750 3.990 -7.344 1.00 57.78 ? 56 ILE B O 1 ATOM 286 C CB . ILE A 1 38 ? -12.743 1.296 -8.166 1.00 46.28 ? 56 ILE B CB 1 ATOM 287 C CG1 . ILE A 1 38 ? -11.838 0.401 -9.009 1.00 44.07 ? 56 ILE B CG1 1 ATOM 288 C CG2 . ILE A 1 38 ? -13.770 0.442 -7.446 1.00 43.38 ? 56 ILE B CG2 1 ATOM 289 C CD1 . ILE A 1 38 ? -11.239 -0.746 -8.242 1.00 42.99 ? 56 ILE B CD1 1 ATOM 290 N N . LYS A 1 39 ? -15.570 3.378 -8.561 1.00 49.87 ? 57 LYS B N 1 ATOM 291 C CA . LYS A 1 39 ? -16.519 4.325 -7.984 1.00 52.79 ? 57 LYS B CA 1 ATOM 292 C C . LYS A 1 39 ? -17.666 3.577 -7.309 1.00 52.28 ? 57 LYS B C 1 ATOM 293 O O . LYS A 1 39 ? -17.752 2.350 -7.353 1.00 54.60 ? 57 LYS B O 1 ATOM 294 C CB . LYS A 1 39 ? -17.059 5.278 -9.053 1.00 52.31 ? 57 LYS B CB 1 ATOM 295 C CG . LYS A 1 39 ? -16.035 6.251 -9.597 1.00 55.36 ? 57 LYS B CG 1 ATOM 296 C CD . LYS A 1 39 ? -16.685 7.283 -10.500 1.00 58.04 ? 57 LYS B CD 1 ATOM 297 C CE . LYS A 1 39 ? -15.676 8.306 -10.991 1.00 57.56 ? 57 LYS B CE 1 ATOM 298 N NZ . LYS A 1 39 ? -16.326 9.304 -11.881 1.00 62.70 ? 57 LYS B NZ 1 ATOM 299 N N . SER A 1 40 ? -18.564 4.341 -6.689 1.00 47.51 ? 58 SER B N 1 ATOM 300 C CA . SER A 1 40 ? -19.679 3.764 -5.953 1.00 47.06 ? 58 SER B CA 1 ATOM 301 C C . SER A 1 40 ? -20.814 3.365 -6.889 1.00 55.74 ? 58 SER B C 1 ATOM 302 O O . SER A 1 40 ? -21.089 4.029 -7.894 1.00 59.90 ? 58 SER B O 1 ATOM 303 C CB . SER A 1 40 ? -20.197 4.746 -4.903 1.00 50.26 ? 58 SER B CB 1 ATOM 304 O OG . SER A 1 40 ? -20.598 5.966 -5.498 1.00 55.74 ? 58 SER B OG 1 ATOM 305 N N . TYR A 1 41 ? -21.482 2.269 -6.538 1.00 50.87 ? 59 TYR B N 1 ATOM 306 C CA . TYR A 1 41 ? -22.582 1.738 -7.331 1.00 50.36 ? 59 TYR B CA 1 ATOM 307 C C . TYR A 1 41 ? -23.929 2.035 -6.677 1.00 52.94 ? 59 TYR B C 1 ATOM 308 O O . TYR A 1 41 ? -24.096 1.813 -5.482 1.00 54.35 ? 59 TYR B O 1 ATOM 309 C CB . TYR A 1 41 ? -22.414 0.229 -7.521 1.00 47.05 ? 59 TYR B CB 1 ATOM 310 C CG . TYR A 1 41 ? -23.571 -0.427 -8.236 1.00 48.47 ? 59 TYR B CG 1 ATOM 311 C CD1 . TYR A 1 41 ? -24.603 -1.031 -7.526 1.00 44.30 ? 59 TYR B CD1 1 ATOM 312 C CD2 . TYR A 1 41 ? -23.632 -0.441 -9.623 1.00 49.98 ? 59 TYR B CD2 1 ATOM 313 C CE1 . TYR A 1 41 ? -25.661 -1.627 -8.181 1.00 49.44 ? 59 TYR B CE1 1 ATOM 314 C CE2 . TYR A 1 41 ? -24.685 -1.032 -10.285 1.00 50.97 ? 59 TYR B CE2 1 ATOM 315 C CZ . TYR A 1 41 ? -25.696 -1.622 -9.563 1.00 53.55 ? 59 TYR B CZ 1 ATOM 316 O OH . TYR A 1 41 ? -26.739 -2.211 -10.235 1.00 56.59 ? 59 TYR B OH 1 ATOM 317 N N . PRO A 1 42 ? -24.904 2.519 -7.464 1.00 53.96 ? 60 PRO B N 1 ATOM 318 C CA . PRO A 1 42 ? -24.776 2.806 -8.895 1.00 57.14 ? 60 PRO B CA 1 ATOM 319 C C . PRO A 1 42 ? -24.621 4.291 -9.229 1.00 58.89 ? 60 PRO B C 1 ATOM 320 O O . PRO A 1 42 ? -24.560 4.644 -10.405 1.00 62.39 ? 60 PRO B O 1 ATOM 321 C CB . PRO A 1 42 ? -26.095 2.279 -9.452 1.00 54.76 ? 60 PRO B CB 1 ATOM 322 C CG . PRO A 1 42 ? -27.078 2.603 -8.361 1.00 54.61 ? 60 PRO B CG 1 ATOM 323 C CD . PRO A 1 42 ? -26.318 2.514 -7.044 1.00 49.87 ? 60 PRO B CD 1 ATOM 324 N N . ASP A 1 43 ? -24.553 5.144 -8.207 1.00 58.50 ? 61 ASP B N 1 ATOM 325 C CA . ASP A 1 43 ? -24.628 6.584 -8.423 1.00 61.64 ? 61 ASP B CA 1 ATOM 326 C C . ASP A 1 43 ? -23.324 7.196 -8.914 1.00 60.48 ? 61 ASP B C 1 ATOM 327 O O . ASP A 1 43 ? -23.361 8.261 -9.538 1.00 63.56 ? 61 ASP B O 1 ATOM 328 C CB . ASP A 1 43 ? -25.056 7.278 -7.133 1.00 67.35 ? 61 ASP B CB 1 ATOM 329 C CG . ASP A 1 43 ? -24.313 6.757 -5.934 1.00 71.06 ? 61 ASP B CG 1 ATOM 330 O OD1 . ASP A 1 43 ? -23.186 7.230 -5.685 1.00 72.17 ? 61 ASP B OD1 1 ATOM 331 O OD2 . ASP A 1 43 ? -24.850 5.859 -5.253 1.00 75.04 ? 61 ASP B OD2 1 ATOM 332 N N . LYS A 1 44 ? -22.184 6.563 -8.637 1.00 60.95 ? 62 LYS B N 1 ATOM 333 C CA . LYS A 1 44 ? -20.864 7.081 -8.998 1.00 61.98 ? 62 LYS B CA 1 ATOM 334 C C . LYS A 1 44 ? -20.551 8.414 -8.322 1.00 66.50 ? 62 LYS B C 1 ATOM 335 O O . LYS A 1 44 ? -19.692 9.163 -8.796 1.00 67.12 ? 62 LYS B O 1 ATOM 336 C CB . LYS A 1 44 ? -20.706 7.221 -10.518 1.00 54.71 ? 62 LYS B CB 1 ATOM 337 C CG . LYS A 1 44 ? -20.793 5.917 -11.285 1.00 52.68 ? 62 LYS B CG 1 ATOM 338 C CD . LYS A 1 44 ? -20.550 6.148 -12.766 1.00 56.78 ? 62 LYS B CD 1 ATOM 339 C CE . LYS A 1 44 ? -20.551 4.843 -13.537 1.00 56.64 ? 62 LYS B CE 1 ATOM 340 N NZ . LYS A 1 44 ? -20.239 5.052 -14.978 1.00 54.66 ? 62 LYS B NZ 1 ATOM 341 N N . LYS A 1 45 ? -21.233 8.732 -7.218 1.00 68.88 ? 63 LYS B N 1 ATOM 342 C CA . LYS A 1 45 ? -20.944 9.971 -6.500 1.00 72.64 ? 63 LYS B CA 1 ATOM 343 C C . LYS A 1 45 ? -19.569 9.922 -5.842 1.00 72.49 ? 63 LYS B C 1 ATOM 344 O O . LYS A 1 45 ? -18.835 10.918 -5.852 1.00 71.94 ? 63 LYS B O 1 ATOM 345 C CB . LYS A 1 45 ? -22.025 10.240 -5.450 1.00 74.90 ? 63 LYS B CB 1 ATOM 346 C CG . LYS A 1 45 ? -23.382 10.627 -6.012 1.00 77.33 ? 63 LYS B CG 1 ATOM 347 C CD . LYS A 1 45 ? -23.424 12.100 -6.389 1.00 85.86 ? 63 LYS B CD 1 ATOM 348 C CE . LYS A 1 45 ? -23.191 12.995 -5.176 1.00 89.88 ? 63 LYS B CE 1 ATOM 349 N NZ . LYS A 1 45 ? -23.284 14.446 -5.516 1.00 89.50 ? 63 LYS B NZ 1 ATOM 350 N N . PHE A 1 46 ? -19.208 8.776 -5.266 1.00 67.55 ? 64 PHE B N 1 ATOM 351 C CA . PHE A 1 46 ? -17.936 8.596 -4.580 1.00 61.95 ? 64 PHE B CA 1 ATOM 352 C C . PHE A 1 46 ? -16.970 7.803 -5.451 1.00 57.15 ? 64 PHE B C 1 ATOM 353 O O . PHE A 1 46 ? -17.351 6.810 -6.077 1.00 55.09 ? 64 PHE B O 1 ATOM 354 C CB . PHE A 1 46 ? -18.138 7.877 -3.240 1.00 59.21 ? 64 PHE B CB 1 ATOM 355 C CG . PHE A 1 46 ? -16.889 7.784 -2.404 1.00 56.83 ? 64 PHE B CG 1 ATOM 356 C CD1 . PHE A 1 46 ? -16.053 6.682 -2.498 1.00 56.00 ? 64 PHE B CD1 1 ATOM 357 C CD2 . PHE A 1 46 ? -16.558 8.795 -1.515 1.00 58.26 ? 64 PHE B CD2 1 ATOM 358 C CE1 . PHE A 1 46 ? -14.907 6.595 -1.726 1.00 59.22 ? 64 PHE B CE1 1 ATOM 359 C CE2 . PHE A 1 46 ? -15.415 8.711 -0.742 1.00 59.31 ? 64 PHE B CE2 1 ATOM 360 C CZ . PHE A 1 46 ? -14.588 7.609 -0.848 1.00 59.28 ? 64 PHE B CZ 1 ATOM 361 N N . SER A 1 47 ? -15.715 8.241 -5.472 1.00 54.23 ? 65 SER B N 1 ATOM 362 C CA . SER A 1 47 ? -14.647 7.576 -6.214 1.00 57.79 ? 65 SER B CA 1 ATOM 363 C C . SER A 1 47 ? -13.745 6.857 -5.216 1.00 58.10 ? 65 SER B C 1 ATOM 364 O O . SER A 1 47 ? -12.952 7.494 -4.518 1.00 59.68 ? 65 SER B O 1 ATOM 365 C CB . SER A 1 47 ? -13.862 8.585 -7.043 1.00 66.53 ? 65 SER B CB 1 ATOM 366 O OG . SER A 1 47 ? -12.773 7.964 -7.702 1.00 72.90 ? 65 SER B OG 1 ATOM 367 N N . TYR A 1 48 ? -13.867 5.528 -5.153 1.00 57.30 ? 66 TYR B N 1 ATOM 368 C CA . TYR A 1 48 ? -13.027 4.749 -4.245 1.00 52.62 ? 66 TYR B CA 1 ATOM 369 C C . TYR A 1 48 ? -11.555 4.874 -4.612 1.00 52.76 ? 66 TYR B C 1 ATOM 370 O O . TYR A 1 48 ? -10.696 4.945 -3.727 1.00 55.79 ? 66 TYR B O 1 ATOM 371 C CB . TYR A 1 48 ? -13.449 3.280 -4.244 1.00 50.18 ? 66 TYR B CB 1 ATOM 372 C CG . TYR A 1 48 ? -14.804 3.013 -3.635 1.00 47.50 ? 66 TYR B CG 1 ATOM 373 C CD1 . TYR A 1 48 ? -14.980 2.999 -2.257 1.00 47.52 ? 66 TYR B CD1 1 ATOM 374 C CD2 . TYR A 1 48 ? -15.905 2.758 -4.438 1.00 45.39 ? 66 TYR B CD2 1 ATOM 375 C CE1 . TYR A 1 48 ? -16.224 2.748 -1.698 1.00 49.50 ? 66 TYR B CE1 1 ATOM 376 C CE2 . TYR A 1 48 ? -17.146 2.505 -3.892 1.00 48.22 ? 66 TYR B CE2 1 ATOM 377 C CZ . TYR A 1 48 ? -17.304 2.500 -2.527 1.00 50.55 ? 66 TYR B CZ 1 ATOM 378 O OH . TYR A 1 48 ? -18.549 2.246 -2.002 1.00 54.85 ? 66 TYR B OH 1 ATOM 379 N N . SER A 1 49 ? -11.242 4.884 -5.908 1.00 54.23 ? 67 SER B N 1 ATOM 380 C CA . SER A 1 49 ? -9.889 5.204 -6.363 1.00 54.68 ? 67 SER B CA 1 ATOM 381 C C . SER A 1 49 ? -9.924 5.412 -7.871 1.00 58.32 ? 67 SER B C 1 ATOM 382 O O . SER A 1 49 ? -10.928 5.133 -8.528 1.00 56.49 ? 67 SER B O 1 ATOM 383 C CB . SER A 1 49 ? -8.872 4.122 -5.981 1.00 50.50 ? 67 SER B CB 1 ATOM 384 O OG . SER A 1 49 ? -9.314 2.837 -6.358 1.00 54.46 ? 67 SER B OG 1 ATOM 385 N N . SER A 1 50 ? -8.815 5.917 -8.410 1.00 63.36 ? 68 SER B N 1 ATOM 386 C CA . SER A 1 50 ? -8.698 6.191 -9.839 1.00 66.38 ? 68 SER B CA 1 ATOM 387 C C . SER A 1 50 ? -7.232 6.425 -10.181 1.00 66.95 ? 68 SER B C 1 ATOM 388 O O . SER A 1 50 ? -6.429 6.815 -9.330 1.00 68.13 ? 68 SER B O 1 ATOM 389 C CB . SER A 1 50 ? -9.548 7.397 -10.261 1.00 71.04 ? 68 SER B CB 1 ATOM 390 O OG . SER A 1 50 ? -9.058 8.600 -9.698 1.00 77.95 ? 68 SER B OG 1 ATOM 391 N N . GLY A 1 51 ? -6.899 6.179 -11.438 1.00 70.18 ? 69 GLY B N 1 ATOM 392 C CA . GLY A 1 51 ? -5.550 6.394 -11.930 1.00 75.66 ? 69 GLY B CA 1 ATOM 393 C C . GLY A 1 51 ? -5.582 6.791 -13.387 1.00 80.71 ? 69 GLY B C 1 ATOM 394 O O . GLY A 1 51 ? -6.478 6.391 -14.142 1.00 79.28 ? 69 GLY B O 1 ATOM 395 N N . HIS A 1 52 ? -4.602 7.598 -13.782 1.00 85.11 ? 70 HIS B N 1 ATOM 396 C CA . HIS A 1 52 ? -4.449 8.040 -15.161 1.00 85.22 ? 70 HIS B CA 1 ATOM 397 C C . HIS A 1 52 ? -3.376 7.202 -15.840 1.00 78.66 ? 70 HIS B C 1 ATOM 398 O O . HIS A 1 52 ? -2.299 6.986 -15.273 1.00 77.09 ? 70 HIS B O 1 ATOM 399 C CB . HIS A 1 52 ? -4.078 9.522 -15.230 1.00 96.30 ? 70 HIS B CB 1 ATOM 400 C CG . HIS A 1 52 ? -5.205 10.449 -14.894 1.00 106.26 ? 70 HIS B CG 1 ATOM 401 N ND1 . HIS A 1 52 ? -5.773 10.508 -13.639 1.00 110.15 ? 70 HIS B ND1 1 ATOM 402 C CD2 . HIS A 1 52 ? -5.861 11.363 -15.647 1.00 111.19 ? 70 HIS B CD2 1 ATOM 403 C CE1 . HIS A 1 52 ? -6.735 11.414 -13.635 1.00 111.80 ? 70 HIS B CE1 1 ATOM 404 N NE2 . HIS A 1 52 ? -6.809 11.947 -14.842 1.00 113.46 ? 70 HIS B NE2 1 ATOM 405 N N . VAL A 1 53 ? -3.674 6.732 -17.048 1.00 77.85 ? 71 VAL B N 1 ATOM 406 C CA . VAL A 1 53 ? -2.736 5.951 -17.844 1.00 78.63 ? 71 VAL B CA 1 ATOM 407 C C . VAL A 1 53 ? -2.602 6.601 -19.212 1.00 84.19 ? 71 VAL B C 1 ATOM 408 O O . VAL A 1 53 ? -3.597 7.023 -19.814 1.00 86.94 ? 71 VAL B O 1 ATOM 409 C CB . VAL A 1 53 ? -3.178 4.478 -17.978 1.00 73.08 ? 71 VAL B CB 1 ATOM 410 C CG1 . VAL A 1 53 ? -3.079 3.767 -16.636 1.00 69.03 ? 71 VAL B CG1 1 ATOM 411 C CG2 . VAL A 1 53 ? -4.593 4.385 -18.527 1.00 71.60 ? 71 VAL B CG2 1 ATOM 412 N N . HIS A 1 54 ? -1.368 6.695 -19.695 1.00 85.59 ? 72 HIS B N 1 ATOM 413 C CA . HIS A 1 54 ? -1.085 7.268 -21.001 1.00 89.59 ? 72 HIS B CA 1 ATOM 414 C C . HIS A 1 54 ? -0.904 6.153 -22.022 1.00 90.57 ? 72 HIS B C 1 ATOM 415 O O . HIS A 1 54 ? -0.259 5.138 -21.742 1.00 92.11 ? 72 HIS B O 1 ATOM 416 C CB . HIS A 1 54 ? 0.164 8.150 -20.957 1.00 92.39 ? 72 HIS B CB 1 ATOM 417 C CG . HIS A 1 54 ? 0.440 8.862 -22.243 1.00 99.45 ? 72 HIS B CG 1 ATOM 418 N ND1 . HIS A 1 54 ? -0.501 9.647 -22.874 1.00 102.49 ? 72 HIS B ND1 1 ATOM 419 C CD2 . HIS A 1 54 ? 1.547 8.902 -23.022 1.00 103.67 ? 72 HIS B CD2 1 ATOM 420 C CE1 . HIS A 1 54 ? 0.015 10.143 -23.985 1.00 104.78 ? 72 HIS B CE1 1 ATOM 421 N NE2 . HIS A 1 54 ? 1.257 9.706 -24.098 1.00 106.52 ? 72 HIS B NE2 1 ATOM 422 N N . LEU A 1 55 ? -1.487 6.343 -23.201 1.00 91.23 ? 73 LEU B N 1 ATOM 423 C CA . LEU A 1 55 ? -1.431 5.364 -24.278 1.00 91.14 ? 73 LEU B CA 1 ATOM 424 C C . LEU A 1 55 ? -0.819 6.032 -25.498 1.00 96.32 ? 73 LEU B C 1 ATOM 425 O O . LEU A 1 55 ? -1.353 7.030 -25.995 1.00 98.72 ? 73 LEU B O 1 ATOM 426 C CB . LEU A 1 55 ? -2.825 4.819 -24.592 1.00 86.87 ? 73 LEU B CB 1 ATOM 427 C CG . LEU A 1 55 ? -3.534 4.112 -23.432 1.00 78.29 ? 73 LEU B CG 1 ATOM 428 C CD1 . LEU A 1 55 ? -4.983 3.818 -23.789 1.00 73.40 ? 73 LEU B CD1 1 ATOM 429 C CD2 . LEU A 1 55 ? -2.800 2.833 -23.049 1.00 59.86 ? 73 LEU B CD2 1 ATOM 430 N N . SER A 1 56 ? 0.300 5.485 -25.973 1.00 98.70 ? 74 SER B N 1 ATOM 431 C CA . SER A 1 56 ? 1.038 6.072 -27.083 1.00 106.04 ? 74 SER B CA 1 ATOM 432 C C . SER A 1 56 ? 1.772 4.968 -27.837 1.00 104.43 ? 74 SER B C 1 ATOM 433 O O . SER A 1 56 ? 1.732 3.794 -27.459 1.00 102.45 ? 74 SER B O 1 ATOM 434 C CB . SER A 1 56 ? 2.018 7.139 -26.587 1.00 114.01 ? 74 SER B CB 1 ATOM 435 O OG . SER A 1 56 ? 2.957 6.587 -25.680 1.00 117.61 ? 74 SER B OG 1 ATOM 436 N N . SER A 1 57 ? 2.447 5.362 -28.921 1.00 107.33 ? 75 SER B N 1 ATOM 437 C CA . SER A 1 57 ? 3.284 4.418 -29.655 1.00 105.04 ? 75 SER B CA 1 ATOM 438 C C . SER A 1 57 ? 4.474 3.978 -28.812 1.00 102.27 ? 75 SER B C 1 ATOM 439 O O . SER A 1 57 ? 4.867 2.805 -28.844 1.00 99.88 ? 75 SER B O 1 ATOM 440 C CB . SER A 1 57 ? 3.750 5.044 -30.971 1.00 103.50 ? 75 SER B CB 1 ATOM 441 O OG . SER A 1 57 ? 2.647 5.405 -31.789 1.00 98.49 ? 75 SER B OG 1 ATOM 442 N N . GLU A 1 58 ? 5.057 4.908 -28.051 1.00 103.40 ? 76 GLU B N 1 ATOM 443 C CA . GLU A 1 58 ? 6.058 4.548 -27.051 1.00 107.92 ? 76 GLU B CA 1 ATOM 444 C C . GLU A 1 58 ? 5.515 3.516 -26.072 1.00 105.18 ? 76 GLU B C 1 ATOM 445 O O . GLU A 1 58 ? 6.260 2.647 -25.601 1.00 103.05 ? 76 GLU B O 1 ATOM 446 C CB . GLU A 1 58 ? 6.513 5.805 -26.306 1.00 115.26 ? 76 GLU B CB 1 ATOM 447 C CG . GLU A 1 58 ? 7.371 5.555 -25.076 1.00 121.73 ? 76 GLU B CG 1 ATOM 448 C CD . GLU A 1 58 ? 8.834 5.350 -25.411 1.00 130.35 ? 76 GLU B CD 1 ATOM 449 O OE1 . GLU A 1 58 ? 9.204 5.496 -26.595 1.00 132.27 ? 76 GLU B OE1 1 ATOM 450 O OE2 . GLU A 1 58 ? 9.616 5.047 -24.484 1.00 133.88 ? 76 GLU B OE2 1 ATOM 451 N N . ASN A 1 59 ? 4.223 3.587 -25.770 1.00 105.62 ? 77 ASN B N 1 ATOM 452 C CA . ASN A 1 59 ? 3.568 2.686 -24.834 1.00 102.23 ? 77 ASN B CA 1 ATOM 453 C C . ASN A 1 59 ? 2.987 1.451 -25.506 1.00 97.05 ? 77 ASN B C 1 ATOM 454 O O . ASN A 1 59 ? 2.477 0.567 -24.807 1.00 89.53 ? 77 ASN B O 1 ATOM 455 C CB . ASN A 1 59 ? 2.453 3.430 -24.099 1.00 99.76 ? 77 ASN B CB 1 ATOM 456 C CG . ASN A 1 59 ? 2.297 2.968 -22.681 1.00 99.60 ? 77 ASN B CG 1 ATOM 457 O OD1 . ASN A 1 59 ? 3.181 2.311 -22.137 1.00 100.91 ? 77 ASN B OD1 1 ATOM 458 N ND2 . ASN A 1 59 ? 1.173 3.310 -22.065 1.00 101.97 ? 77 ASN B ND2 1 ATOM 459 N N . LYS A 1 60 ? 3.048 1.377 -26.837 1.00 97.84 ? 78 LYS B N 1 ATOM 460 C CA . LYS A 1 60 ? 2.355 0.355 -27.625 1.00 93.52 ? 78 LYS B CA 1 ATOM 461 C C . LYS A 1 60 ? 0.864 0.322 -27.313 1.00 87.47 ? 78 LYS B C 1 ATOM 462 O O . LYS A 1 60 ? 0.205 -0.704 -27.504 1.00 82.53 ? 78 LYS B O 1 ATOM 463 C CB . LYS A 1 60 ? 2.981 -1.031 -27.428 1.00 93.40 ? 78 LYS B CB 1 ATOM 464 C CG . LYS A 1 60 ? 4.394 -1.139 -27.980 1.00 99.55 ? 78 LYS B CG 1 ATOM 465 C CD . LYS A 1 60 ? 4.872 -2.582 -28.054 1.00 102.30 ? 78 LYS B CD 1 ATOM 466 C CE . LYS A 1 60 ? 6.218 -2.672 -28.763 1.00 107.90 ? 78 LYS B CE 1 ATOM 467 N NZ . LYS A 1 60 ? 6.653 -4.081 -28.979 1.00 109.51 ? 78 LYS B NZ 1 ATOM 468 N N . PHE A 1 61 ? 0.337 1.450 -26.830 1.00 88.57 ? 79 PHE B N 1 ATOM 469 C CA . PHE A 1 61 ? -1.080 1.602 -26.509 1.00 85.59 ? 79 PHE B CA 1 ATOM 470 C C . PHE A 1 61 ? -1.552 0.530 -25.531 1.00 83.34 ? 79 PHE B C 1 ATOM 471 O O . PHE A 1 61 ? -2.623 -0.058 -25.686 1.00 81.95 ? 79 PHE B O 1 ATOM 472 C CB . PHE A 1 61 ? -1.923 1.613 -27.780 1.00 84.55 ? 79 PHE B CB 1 ATOM 473 C CG . PHE A 1 61 ? -1.615 2.767 -28.682 1.00 88.79 ? 79 PHE B CG 1 ATOM 474 C CD1 . PHE A 1 61 ? -0.642 2.658 -29.663 1.00 91.39 ? 79 PHE B CD1 1 ATOM 475 C CD2 . PHE A 1 61 ? -2.280 3.970 -28.535 1.00 90.38 ? 79 PHE B CD2 1 ATOM 476 C CE1 . PHE A 1 61 ? -0.350 3.724 -30.490 1.00 95.27 ? 79 PHE B CE1 1 ATOM 477 C CE2 . PHE A 1 61 ? -1.994 5.040 -29.359 1.00 94.75 ? 79 PHE B CE2 1 ATOM 478 C CZ . PHE A 1 61 ? -1.026 4.917 -30.338 1.00 97.04 ? 79 PHE B CZ 1 ATOM 479 N N . GLN A 1 62 ? -0.736 0.280 -24.511 1.00 84.63 ? 80 GLN B N 1 ATOM 480 C CA . GLN A 1 62 ? -1.068 -0.625 -23.422 1.00 84.37 ? 80 GLN B CA 1 ATOM 481 C C . GLN A 1 62 ? -0.535 -0.039 -22.126 1.00 80.48 ? 80 GLN B C 1 ATOM 482 O O . GLN A 1 62 ? 0.596 0.453 -22.081 1.00 80.93 ? 80 GLN B O 1 ATOM 483 C CB . GLN A 1 62 ? -0.473 -2.017 -23.640 1.00 86.29 ? 80 GLN B CB 1 ATOM 484 C CG . GLN A 1 62 ? -1.070 -2.786 -24.795 1.00 86.24 ? 80 GLN B CG 1 ATOM 485 C CD . GLN A 1 62 ? -0.521 -4.189 -24.867 1.00 89.17 ? 80 GLN B CD 1 ATOM 486 O OE1 . GLN A 1 62 ? 0.623 -4.434 -24.490 1.00 91.53 ? 80 GLN B OE1 1 ATOM 487 N NE2 . GLN A 1 62 ? -1.337 -5.125 -25.337 1.00 89.66 ? 80 GLN B NE2 1 ATOM 488 N N . ASN A 1 63 ? -1.342 -0.094 -21.072 1.00 79.46 ? 81 ASN B N 1 ATOM 489 C CA . ASN A 1 63 ? -0.925 0.480 -19.803 1.00 79.49 ? 81 ASN B CA 1 ATOM 490 C C . ASN A 1 63 ? -1.632 -0.245 -18.667 1.00 77.63 ? 81 ASN B C 1 ATOM 491 O O . ASN A 1 63 ? -2.531 -1.061 -18.880 1.00 76.61 ? 81 ASN B O 1 ATOM 492 C CB . ASN A 1 63 ? -1.201 1.987 -19.758 1.00 80.03 ? 81 ASN B CB 1 ATOM 493 C CG . ASN A 1 63 ? -0.210 2.734 -18.889 1.00 79.37 ? 81 ASN B CG 1 ATOM 494 O OD1 . ASN A 1 63 ? 0.302 2.193 -17.908 1.00 78.19 ? 81 ASN B OD1 1 ATOM 495 N ND2 . ASN A 1 63 ? 0.070 3.983 -19.248 1.00 78.30 ? 81 ASN B ND2 1 ATOM 496 N N . SER A 1 64 ? -1.206 0.068 -17.447 1.00 77.99 ? 82 SER B N 1 ATOM 497 C CA . SER A 1 64 ? -1.704 -0.588 -16.250 1.00 68.73 ? 82 SER B CA 1 ATOM 498 C C . SER A 1 64 ? -1.907 0.456 -15.163 1.00 68.87 ? 82 SER B C 1 ATOM 499 O O . SER A 1 64 ? -1.200 1.466 -15.113 1.00 71.96 ? 82 SER B O 1 ATOM 500 C CB . SER A 1 64 ? -0.732 -1.680 -15.781 1.00 68.07 ? 82 SER B CB 1 ATOM 501 O OG . SER A 1 64 ? -1.113 -2.211 -14.527 1.00 71.88 ? 82 SER B OG 1 ATOM 502 N N . ALA A 1 65 ? -2.889 0.210 -14.298 1.00 66.61 ? 83 ALA B N 1 ATOM 503 C CA . ALA A 1 65 ? -3.187 1.105 -13.187 1.00 64.00 ? 83 ALA B CA 1 ATOM 504 C C . ALA A 1 65 ? -3.626 0.276 -11.992 1.00 63.73 ? 83 ALA B C 1 ATOM 505 O O . ALA A 1 65 ? -4.498 -0.585 -12.124 1.00 63.32 ? 83 ALA B O 1 ATOM 506 C CB . ALA A 1 65 ? -4.278 2.114 -13.555 1.00 65.55 ? 83 ALA B CB 1 ATOM 507 N N . ILE A 1 66 ? -3.039 0.549 -10.832 1.00 60.34 ? 84 ILE B N 1 ATOM 508 C CA . ILE A 1 66 ? -3.320 -0.200 -9.613 1.00 58.13 ? 84 ILE B CA 1 ATOM 509 C C . ILE A 1 66 ? -4.303 0.597 -8.766 1.00 56.23 ? 84 ILE B C 1 ATOM 510 O O . ILE A 1 66 ? -3.988 1.702 -8.311 1.00 58.11 ? 84 ILE B O 1 ATOM 511 C CB . ILE A 1 66 ? -2.031 -0.493 -8.833 1.00 56.78 ? 84 ILE B CB 1 ATOM 512 C CG1 . ILE A 1 66 ? -1.059 -1.277 -9.716 1.00 57.76 ? 84 ILE B CG1 1 ATOM 513 C CG2 . ILE A 1 66 ? -2.343 -1.244 -7.549 1.00 47.41 ? 84 ILE B CG2 1 ATOM 514 C CD1 . ILE A 1 66 ? 0.324 -1.408 -9.133 1.00 60.87 ? 84 ILE B CD1 1 ATOM 515 N N . LEU A 1 67 ? -5.488 0.035 -8.546 1.00 52.98 ? 85 LEU B N 1 ATOM 516 C CA . LEU A 1 67 ? -6.518 0.662 -7.732 1.00 51.13 ? 85 LEU B CA 1 ATOM 517 C C . LEU A 1 67 ? -6.709 -0.112 -6.431 1.00 52.82 ? 85 LEU B C 1 ATOM 518 O O . LEU A 1 67 ? -6.356 -1.288 -6.323 1.00 50.87 ? 85 LEU B O 1 ATOM 519 C CB . LEU A 1 67 ? -7.843 0.748 -8.497 1.00 50.31 ? 85 LEU B CB 1 ATOM 520 C CG . LEU A 1 67 ? -7.909 1.811 -9.599 1.00 54.56 ? 85 LEU B CG 1 ATOM 521 C CD1 . LEU A 1 67 ? -7.147 3.051 -9.170 1.00 59.49 ? 85 LEU B CD1 1 ATOM 522 C CD2 . LEU A 1 67 ? -7.384 1.293 -10.926 1.00 52.23 ? 85 LEU B CD2 1 ATOM 523 N N . THR A 1 68 ? -7.271 0.565 -5.433 1.00 52.36 ? 86 THR B N 1 ATOM 524 C CA . THR A 1 68 ? -7.456 -0.044 -4.119 1.00 50.87 ? 86 THR B CA 1 ATOM 525 C C . THR A 1 68 ? -8.748 0.467 -3.505 1.00 47.36 ? 86 THR B C 1 ATOM 526 O O . THR A 1 68 ? -8.929 1.679 -3.356 1.00 49.78 ? 86 THR B O 1 ATOM 527 C CB . THR A 1 68 ? -6.275 0.264 -3.194 1.00 54.85 ? 86 THR B CB 1 ATOM 528 O OG1 . THR A 1 68 ? -5.086 -0.358 -3.697 1.00 58.59 ? 86 THR B OG1 1 ATOM 529 C CG2 . THR A 1 68 ? -6.553 -0.255 -1.793 1.00 54.80 ? 86 THR B CG2 1 ATOM 530 N N . ILE A 1 69 ? -9.637 -0.452 -3.144 1.00 42.86 ? 87 ILE B N 1 ATOM 531 C CA . ILE A 1 69 ? -10.832 -0.118 -2.379 1.00 53.32 ? 87 ILE B CA 1 ATOM 532 C C . ILE A 1 69 ? -10.448 -0.139 -0.903 1.00 53.07 ? 87 ILE B C 1 ATOM 533 O O . ILE A 1 69 ? -10.254 -1.209 -0.320 1.00 41.79 ? 87 ILE B O 1 ATOM 534 C CB . ILE A 1 69 ? -11.979 -1.091 -2.668 1.00 51.18 ? 87 ILE B CB 1 ATOM 535 C CG1 . ILE A 1 69 ? -12.285 -1.125 -4.162 1.00 41.67 ? 87 ILE B CG1 1 ATOM 536 C CG2 . ILE A 1 69 ? -13.222 -0.703 -1.880 1.00 41.81 ? 87 ILE B CG2 1 ATOM 537 C CD1 . ILE A 1 69 ? -13.360 -2.107 -4.514 1.00 40.69 ? 87 ILE B CD1 1 ATOM 538 N N . GLN A 1 70 ? -10.332 1.041 -0.303 1.00 53.94 ? 88 GLN B N 1 ATOM 539 C CA . GLN A 1 70 ? -9.948 1.135 1.102 1.00 48.46 ? 88 GLN B CA 1 ATOM 540 C C . GLN A 1 70 ? -11.071 0.620 1.995 1.00 45.92 ? 88 GLN B C 1 ATOM 541 O O . GLN A 1 70 ? -12.222 1.041 1.839 1.00 47.22 ? 88 GLN B O 1 ATOM 542 C CB . GLN A 1 70 ? -9.617 2.578 1.469 1.00 54.23 ? 88 GLN B CB 1 ATOM 543 C CG . GLN A 1 70 ? -8.450 3.171 0.699 1.00 62.49 ? 88 GLN B CG 1 ATOM 544 C CD . GLN A 1 70 ? -7.114 2.596 1.125 1.00 71.11 ? 88 GLN B CD 1 ATOM 545 O OE1 . GLN A 1 70 ? -7.030 1.825 2.084 1.00 77.32 ? 88 GLN B OE1 1 ATOM 546 N NE2 . GLN A 1 70 ? -6.058 2.971 0.415 1.00 73.07 ? 88 GLN B NE2 1 ATOM 547 N N . PRO A 1 71 ? -10.778 -0.273 2.944 1.00 47.35 ? 89 PRO B N 1 ATOM 548 C CA . PRO A 1 71 ? -11.846 -0.778 3.827 1.00 47.01 ? 89 PRO B CA 1 ATOM 549 C C . PRO A 1 71 ? -12.539 0.314 4.621 1.00 50.48 ? 89 PRO B C 1 ATOM 550 O O . PRO A 1 71 ? -13.764 0.268 4.793 1.00 54.81 ? 89 PRO B O 1 ATOM 551 C CB . PRO A 1 71 ? -11.104 -1.754 4.750 1.00 41.56 ? 89 PRO B CB 1 ATOM 552 C CG . PRO A 1 71 ? -9.834 -2.074 4.044 1.00 45.05 ? 89 PRO B CG 1 ATOM 553 C CD . PRO A 1 71 ? -9.469 -0.863 3.255 1.00 48.26 ? 89 PRO B CD 1 ATOM 554 N N . LYS A 1 72 ? -11.786 1.300 5.112 1.00 50.20 ? 90 LYS B N 1 ATOM 555 C CA . LYS A 1 72 ? -12.391 2.381 5.879 1.00 55.45 ? 90 LYS B CA 1 ATOM 556 C C . LYS A 1 72 ? -13.374 3.202 5.052 1.00 60.05 ? 90 LYS B C 1 ATOM 557 O O . LYS A 1 72 ? -14.228 3.885 5.628 1.00 64.69 ? 90 LYS B O 1 ATOM 558 C CB . LYS A 1 72 ? -11.300 3.285 6.447 1.00 60.11 ? 90 LYS B CB 1 ATOM 559 C CG . LYS A 1 72 ? -10.283 2.552 7.307 1.00 63.28 ? 90 LYS B CG 1 ATOM 560 C CD . LYS A 1 72 ? -10.948 1.927 8.523 1.00 65.50 ? 90 LYS B CD 1 ATOM 561 C CE . LYS A 1 72 ? -9.929 1.306 9.468 1.00 67.61 ? 90 LYS B CE 1 ATOM 562 N NZ . LYS A 1 72 ? -10.584 0.670 10.650 1.00 67.75 ? 90 LYS B NZ 1 ATOM 563 N N . GLN A 1 73 ? -13.281 3.152 3.724 1.00 55.95 ? 91 GLN B N 1 ATOM 564 C CA . GLN A 1 73 ? -14.190 3.893 2.859 1.00 55.25 ? 91 GLN B CA 1 ATOM 565 C C . GLN A 1 73 ? -15.516 3.174 2.631 1.00 52.37 ? 91 GLN B C 1 ATOM 566 O O . GLN A 1 73 ? -16.339 3.654 1.848 1.00 53.03 ? 91 GLN B O 1 ATOM 567 C CB . GLN A 1 73 ? -13.519 4.180 1.515 1.00 57.24 ? 91 GLN B CB 1 ATOM 568 C CG . GLN A 1 73 ? -12.369 5.167 1.600 1.00 59.34 ? 91 GLN B CG 1 ATOM 569 C CD . GLN A 1 73 ? -11.641 5.323 0.283 1.00 63.76 ? 91 GLN B CD 1 ATOM 570 O OE1 . GLN A 1 73 ? -11.637 4.415 -0.552 1.00 58.40 ? 91 GLN B OE1 1 ATOM 571 N NE2 . GLN A 1 73 ? -11.020 6.478 0.087 1.00 70.42 ? 91 GLN B NE2 1 ATOM 572 N N . LEU A 1 74 ? -15.744 2.048 3.299 1.00 54.12 ? 92 LEU B N 1 ATOM 573 C CA . LEU A 1 74 ? -16.983 1.305 3.147 1.00 55.84 ? 92 LEU B CA 1 ATOM 574 C C . LEU A 1 74 ? -17.796 1.346 4.433 1.00 65.20 ? 92 LEU B C 1 ATOM 575 O O . LEU A 1 74 ? -17.233 1.197 5.524 1.00 71.11 ? 92 LEU B O 1 ATOM 576 C CB . LEU A 1 74 ? -16.698 -0.153 2.772 1.00 49.01 ? 92 LEU B CB 1 ATOM 577 C CG . LEU A 1 74 ? -16.036 -0.333 1.401 1.00 45.29 ? 92 LEU B CG 1 ATOM 578 C CD1 . LEU A 1 74 ? -15.483 -1.731 1.243 1.00 44.57 ? 92 LEU B CD1 1 ATOM 579 C CD2 . LEU A 1 74 ? -17.041 -0.047 0.314 1.00 42.78 ? 92 LEU B CD2 1 ATOM 580 N N . PRO A 1 75 ? -19.109 1.557 4.346 1.00 67.65 ? 93 PRO B N 1 ATOM 581 C CA . PRO A 1 75 ? -19.943 1.539 5.553 1.00 69.77 ? 93 PRO B CA 1 ATOM 582 C C . PRO A 1 75 ? -19.920 0.170 6.214 1.00 75.31 ? 93 PRO B C 1 ATOM 583 O O . PRO A 1 75 ? -19.501 -0.834 5.633 1.00 74.85 ? 93 PRO B O 1 ATOM 584 C CB . PRO A 1 75 ? -21.341 1.894 5.034 1.00 68.21 ? 93 PRO B CB 1 ATOM 585 C CG . PRO A 1 75 ? -21.301 1.576 3.574 1.00 68.59 ? 93 PRO B CG 1 ATOM 586 C CD . PRO A 1 75 ? -19.894 1.859 3.138 1.00 69.02 ? 93 PRO B CD 1 ATOM 587 N N . GLY A 1 76 ? -20.375 0.136 7.458 1.00 92.43 ? 94 GLY B N 1 ATOM 588 C CA . GLY A 1 76 ? -20.356 -1.084 8.236 1.00 102.16 ? 94 GLY B CA 1 ATOM 589 C C . GLY A 1 76 ? -21.711 -1.393 8.833 1.00 115.79 ? 94 GLY B C 1 ATOM 590 O O . GLY A 1 76 ? -22.481 -0.501 9.182 1.00 112.82 ? 94 GLY B O 1 ATOM 591 N N . GLY A 1 77 ? -21.997 -2.686 8.934 1.00 130.48 ? 95 GLY B N 1 ATOM 592 C CA . GLY A 1 77 ? -23.163 -3.135 9.664 1.00 136.82 ? 95 GLY B CA 1 ATOM 593 C C . GLY A 1 77 ? -24.377 -3.476 8.827 1.00 140.45 ? 95 GLY B C 1 ATOM 594 O O . GLY A 1 77 ? -24.450 -4.558 8.236 1.00 145.94 ? 95 GLY B O 1 ATOM 595 N N . GLN A 1 78 ? -25.334 -2.549 8.757 1.00 129.08 ? 96 GLN B N 1 ATOM 596 C CA . GLN A 1 78 ? -26.684 -2.907 8.333 1.00 122.41 ? 96 GLN B CA 1 ATOM 597 C C . GLN A 1 78 ? -26.811 -3.015 6.816 1.00 112.58 ? 96 GLN B C 1 ATOM 598 O O . GLN A 1 78 ? -27.307 -4.025 6.303 1.00 113.08 ? 96 GLN B O 1 ATOM 599 C CB . GLN A 1 78 ? -27.690 -1.898 8.889 1.00 127.28 ? 96 GLN B CB 1 ATOM 600 C CG . GLN A 1 78 ? -29.095 -2.460 9.000 1.00 130.05 ? 96 GLN B CG 1 ATOM 601 C CD . GLN A 1 78 ? -29.110 -3.847 9.619 1.00 130.90 ? 96 GLN B CD 1 ATOM 602 O OE1 . GLN A 1 78 ? -29.523 -4.818 8.984 1.00 131.15 ? 96 GLN B OE1 1 ATOM 603 N NE2 . GLN A 1 78 ? -28.656 -3.946 10.864 1.00 130.64 ? 96 GLN B NE2 1 ATOM 604 N N . ASN A 1 79 ? -26.385 -1.989 6.076 1.00 100.56 ? 97 ASN B N 1 ATOM 605 C CA . ASN A 1 79 ? -26.516 -1.956 4.619 1.00 87.17 ? 97 ASN B CA 1 ATOM 606 C C . ASN A 1 79 ? -25.132 -1.866 3.980 1.00 68.59 ? 97 ASN B C 1 ATOM 607 O O . ASN A 1 79 ? -24.759 -0.828 3.418 1.00 68.11 ? 97 ASN B O 1 ATOM 608 C CB . ASN A 1 79 ? -27.403 -0.795 4.173 1.00 94.26 ? 97 ASN B CB 1 ATOM 609 C CG . ASN A 1 79 ? -26.995 0.527 4.796 1.00 103.91 ? 97 ASN B CG 1 ATOM 610 O OD1 . ASN A 1 79 ? -26.309 1.336 4.171 1.00 106.02 ? 97 ASN B OD1 1 ATOM 611 N ND2 . ASN A 1 79 ? -27.415 0.753 6.036 1.00 108.72 ? 97 ASN B ND2 1 ATOM 612 N N . PRO A 1 80 ? -24.353 -2.941 4.033 1.00 53.91 ? 98 PRO B N 1 ATOM 613 C CA . PRO A 1 80 ? -22.976 -2.877 3.545 1.00 49.22 ? 98 PRO B CA 1 ATOM 614 C C . PRO A 1 80 ? -22.918 -2.914 2.027 1.00 48.02 ? 98 PRO B C 1 ATOM 615 O O . PRO A 1 80 ? -23.831 -3.379 1.345 1.00 42.69 ? 98 PRO B O 1 ATOM 616 C CB . PRO A 1 80 ? -22.329 -4.126 4.152 1.00 49.89 ? 98 PRO B CB 1 ATOM 617 C CG . PRO A 1 80 ? -23.453 -5.097 4.241 1.00 48.30 ? 98 PRO B CG 1 ATOM 618 C CD . PRO A 1 80 ? -24.696 -4.288 4.527 1.00 50.65 ? 98 PRO B CD 1 ATOM 619 N N . VAL A 1 81 ? -21.807 -2.403 1.505 1.00 49.07 ? 99 VAL B N 1 ATOM 620 C CA . VAL A 1 81 ? -21.619 -2.346 0.065 1.00 44.99 ? 99 VAL B CA 1 ATOM 621 C C . VAL A 1 81 ? -21.364 -3.748 -0.463 1.00 44.88 ? 99 VAL B C 1 ATOM 622 O O . VAL A 1 81 ? -20.568 -4.507 0.105 1.00 43.83 ? 99 VAL B O 1 ATOM 623 C CB . VAL A 1 81 ? -20.466 -1.397 -0.281 1.00 44.68 ? 99 VAL B CB 1 ATOM 624 C CG1 . VAL A 1 81 ? -20.160 -1.447 -1.770 1.00 42.07 ? 99 VAL B CG1 1 ATOM 625 C CG2 . VAL A 1 81 ? -20.811 0.011 0.160 1.00 43.96 ? 99 VAL B CG2 1 ATOM 626 N N . SER A 1 82 ? -22.050 -4.103 -1.550 1.00 45.57 ? 100 SER B N 1 ATOM 627 C CA . SER A 1 82 ? -21.809 -5.356 -2.249 1.00 41.28 ? 100 SER B CA 1 ATOM 628 C C . SER A 1 82 ? -21.189 -5.174 -3.623 1.00 40.25 ? 100 SER B C 1 ATOM 629 O O . SER A 1 82 ? -20.492 -6.074 -4.093 1.00 38.63 ? 100 SER B O 1 ATOM 630 C CB . SER A 1 82 ? -23.115 -6.143 -2.402 1.00 43.62 ? 100 SER B CB 1 ATOM 631 O OG . SER A 1 82 ? -23.631 -6.510 -1.138 1.00 53.00 ? 100 SER B OG 1 ATOM 632 N N . TYR A 1 83 ? -21.418 -4.033 -4.271 1.00 41.71 ? 101 TYR B N 1 ATOM 633 C CA . TYR A 1 83 ? -20.949 -3.798 -5.628 1.00 44.95 ? 101 TYR B CA 1 ATOM 634 C C . TYR A 1 83 ? -20.260 -2.445 -5.727 1.00 44.12 ? 101 TYR B C 1 ATOM 635 O O . TYR A 1 83 ? -20.547 -1.520 -4.962 1.00 45.21 ? 101 TYR B O 1 ATOM 636 C CB . TYR A 1 83 ? -22.101 -3.854 -6.639 1.00 44.78 ? 101 TYR B CB 1 ATOM 637 C CG . TYR A 1 83 ? -22.829 -5.178 -6.677 1.00 44.70 ? 101 TYR B CG 1 ATOM 638 C CD1 . TYR A 1 83 ? -22.305 -6.263 -7.373 1.00 41.07 ? 101 TYR B CD1 1 ATOM 639 C CD2 . TYR A 1 83 ? -24.046 -5.339 -6.028 1.00 43.77 ? 101 TYR B CD2 1 ATOM 640 C CE1 . TYR A 1 83 ? -22.972 -7.471 -7.413 1.00 42.61 ? 101 TYR B CE1 1 ATOM 641 C CE2 . TYR A 1 83 ? -24.719 -6.542 -6.063 1.00 44.80 ? 101 TYR B CE2 1 ATOM 642 C CZ . TYR A 1 83 ? -24.178 -7.604 -6.756 1.00 47.63 ? 101 TYR B CZ 1 ATOM 643 O OH . TYR A 1 83 ? -24.851 -8.802 -6.787 1.00 53.79 ? 101 TYR B OH 1 ATOM 644 N N . VAL A 1 84 ? -19.334 -2.349 -6.679 1.00 41.11 ? 102 VAL B N 1 ATOM 645 C CA . VAL A 1 84 ? -18.716 -1.092 -7.067 1.00 47.96 ? 102 VAL B CA 1 ATOM 646 C C . VAL A 1 84 ? -18.763 -1.006 -8.586 1.00 52.74 ? 102 VAL B C 1 ATOM 647 O O . VAL A 1 84 ? -19.087 -1.972 -9.272 1.00 57.45 ? 102 VAL B O 1 ATOM 648 C CB . VAL A 1 84 ? -17.269 -0.960 -6.558 1.00 41.91 ? 102 VAL B CB 1 ATOM 649 C CG1 . VAL A 1 84 ? -17.248 -0.914 -5.041 1.00 42.65 ? 102 VAL B CG1 1 ATOM 650 C CG2 . VAL A 1 84 ? -16.421 -2.107 -7.080 1.00 40.95 ? 102 VAL B CG2 1 ATOM 651 N N . TYR A 1 85 ? -18.446 0.172 -9.109 1.00 51.79 ? 103 TYR B N 1 ATOM 652 C CA . TYR A 1 85 ? -18.428 0.414 -10.546 1.00 49.36 ? 103 TYR B CA 1 ATOM 653 C C . TYR A 1 85 ? -16.982 0.493 -11.011 1.00 49.76 ? 103 TYR B C 1 ATOM 654 O O . TYR A 1 85 ? -16.198 1.283 -10.473 1.00 54.26 ? 103 TYR B O 1 ATOM 655 C CB . TYR A 1 85 ? -19.178 1.702 -10.902 1.00 51.20 ? 103 TYR B CB 1 ATOM 656 C CG . TYR A 1 85 ? -20.531 1.482 -11.553 1.00 52.30 ? 103 TYR B CG 1 ATOM 657 C CD1 . TYR A 1 85 ? -20.719 0.466 -12.481 1.00 50.61 ? 103 TYR B CD1 1 ATOM 658 C CD2 . TYR A 1 85 ? -21.624 2.286 -11.235 1.00 52.99 ? 103 TYR B CD2 1 ATOM 659 C CE1 . TYR A 1 85 ? -21.953 0.254 -13.077 1.00 47.15 ? 103 TYR B CE1 1 ATOM 660 C CE2 . TYR A 1 85 ? -22.866 2.081 -11.829 1.00 51.01 ? 103 TYR B CE2 1 ATOM 661 C CZ . TYR A 1 85 ? -23.022 1.060 -12.748 1.00 49.70 ? 103 TYR B CZ 1 ATOM 662 O OH . TYR A 1 85 ? -24.246 0.840 -13.343 1.00 46.43 ? 103 TYR B OH 1 ATOM 663 N N . LEU A 1 86 ? -16.630 -0.328 -11.997 1.00 47.53 ? 104 LEU B N 1 ATOM 664 C CA . LEU A 1 86 ? -15.379 -0.169 -12.729 1.00 47.77 ? 104 LEU B CA 1 ATOM 665 C C . LEU A 1 86 ? -15.648 0.699 -13.953 1.00 49.21 ? 104 LEU B C 1 ATOM 666 O O . LEU A 1 86 ? -16.527 0.384 -14.761 1.00 50.97 ? 104 LEU B O 1 ATOM 667 C CB . LEU A 1 86 ? -14.803 -1.525 -13.141 1.00 43.07 ? 104 LEU B CB 1 ATOM 668 C CG . LEU A 1 86 ? -13.571 -1.489 -14.059 1.00 43.70 ? 104 LEU B CG 1 ATOM 669 C CD1 . LEU A 1 86 ? -12.428 -0.728 -13.407 1.00 44.34 ? 104 LEU B CD1 1 ATOM 670 C CD2 . LEU A 1 86 ? -13.123 -2.890 -14.459 1.00 42.96 ? 104 LEU B CD2 1 ATOM 671 N N . GLU A 1 87 ? -14.895 1.783 -14.093 1.00 50.73 ? 105 GLU B N 1 ATOM 672 C CA . GLU A 1 87 ? -15.153 2.782 -15.120 1.00 53.88 ? 105 GLU B CA 1 ATOM 673 C C . GLU A 1 87 ? -13.865 3.139 -15.843 1.00 52.23 ? 105 GLU B C 1 ATOM 674 O O . GLU A 1 87 ? -12.826 3.341 -15.212 1.00 49.12 ? 105 GLU B O 1 ATOM 675 C CB . GLU A 1 87 ? -15.773 4.043 -14.505 1.00 59.29 ? 105 GLU B CB 1 ATOM 676 C CG . GLU A 1 87 ? -16.197 5.103 -15.504 1.00 67.45 ? 105 GLU B CG 1 ATOM 677 C CD . GLU A 1 87 ? -16.641 6.384 -14.822 1.00 73.17 ? 105 GLU B CD 1 ATOM 678 O OE1 . GLU A 1 87 ? -15.840 6.964 -14.056 1.00 70.63 ? 105 GLU B OE1 1 ATOM 679 O OE2 . GLU A 1 87 ? -17.796 6.804 -15.040 1.00 78.48 ? 105 GLU B OE2 1 ATOM 680 N N . VAL A 1 88 ? -13.938 3.208 -17.170 1.00 54.65 ? 106 VAL B N 1 ATOM 681 C CA . VAL A 1 88 ? -12.844 3.687 -18.005 1.00 56.84 ? 106 VAL B CA 1 ATOM 682 C C . VAL A 1 88 ? -13.376 4.833 -18.846 1.00 59.24 ? 106 VAL B C 1 ATOM 683 O O . VAL A 1 88 ? -14.405 4.691 -19.518 1.00 63.58 ? 106 VAL B O 1 ATOM 684 C CB . VAL A 1 88 ? -12.266 2.578 -18.902 1.00 49.90 ? 106 VAL B CB 1 ATOM 685 C CG1 . VAL A 1 88 ? -11.082 3.112 -19.693 1.00 51.38 ? 106 VAL B CG1 1 ATOM 686 C CG2 . VAL A 1 88 ? -11.847 1.393 -18.066 1.00 55.42 ? 106 VAL B CG2 1 ATOM 687 N N . VAL A 1 89 ? -12.689 5.970 -18.795 1.00 61.23 ? 107 VAL B N 1 ATOM 688 C CA . VAL A 1 89 ? -13.105 7.160 -19.526 1.00 65.63 ? 107 VAL B CA 1 ATOM 689 C C . VAL A 1 89 ? -11.916 7.683 -20.317 1.00 71.95 ? 107 VAL B C 1 ATOM 690 O O . VAL A 1 89 ? -10.788 7.707 -19.813 1.00 74.68 ? 107 VAL B O 1 ATOM 691 C CB . VAL A 1 89 ? -13.667 8.241 -18.576 1.00 65.84 ? 107 VAL B CB 1 ATOM 692 C CG1 . VAL A 1 89 ? -13.855 9.554 -19.304 1.00 74.20 ? 107 VAL B CG1 1 ATOM 693 C CG2 . VAL A 1 89 ? -14.993 7.789 -17.999 1.00 64.11 ? 107 VAL B CG2 1 ATOM 694 N N . SER A 1 90 ? -12.164 8.076 -21.566 1.00 73.96 ? 108 SER B N 1 ATOM 695 C CA . SER A 1 90 ? -11.146 8.676 -22.418 1.00 75.82 ? 108 SER B CA 1 ATOM 696 C C . SER A 1 90 ? -11.834 9.589 -23.425 1.00 76.26 ? 108 SER B C 1 ATOM 697 O O . SER A 1 90 ? -13.063 9.713 -23.444 1.00 74.47 ? 108 SER B O 1 ATOM 698 C CB . SER A 1 90 ? -10.305 7.607 -23.129 1.00 74.24 ? 108 SER B CB 1 ATOM 699 O OG . SER A 1 90 ? -11.074 6.897 -24.088 1.00 70.70 ? 108 SER B OG 1 ATOM 700 N N . LYS A 1 91 ? -11.024 10.234 -24.270 1.00 78.24 ? 109 LYS B N 1 ATOM 701 C CA . LYS A 1 91 ? -11.578 11.059 -25.340 1.00 80.89 ? 109 LYS B CA 1 ATOM 702 C C . LYS A 1 91 ? -12.497 10.254 -26.250 1.00 76.95 ? 109 LYS B C 1 ATOM 703 O O . LYS A 1 91 ? -13.459 10.800 -26.801 1.00 72.55 ? 109 LYS B O 1 ATOM 704 C CB . LYS A 1 91 ? -10.450 11.678 -26.166 1.00 87.96 ? 109 LYS B CB 1 ATOM 705 C CG . LYS A 1 91 ? -9.375 12.368 -25.349 1.00 96.96 ? 109 LYS B CG 1 ATOM 706 C CD . LYS A 1 91 ? -8.204 12.783 -26.230 1.00 101.84 ? 109 LYS B CD 1 ATOM 707 C CE . LYS A 1 91 ? -8.626 13.773 -27.311 1.00 101.45 ? 109 LYS B CE 1 ATOM 708 N NZ . LYS A 1 91 ? -9.003 15.103 -26.750 1.00 101.94 ? 109 LYS B NZ 1 ATOM 709 N N . HIS A 1 92 ? -12.228 8.958 -26.403 1.00 78.06 ? 110 HIS B N 1 ATOM 710 C CA . HIS A 1 92 ? -12.900 8.111 -27.378 1.00 78.02 ? 110 HIS B CA 1 ATOM 711 C C . HIS A 1 92 ? -14.064 7.317 -26.801 1.00 77.32 ? 110 HIS B C 1 ATOM 712 O O . HIS A 1 92 ? -15.078 7.136 -27.482 1.00 77.87 ? 110 HIS B O 1 ATOM 713 C CB . HIS A 1 92 ? -11.892 7.141 -28.004 1.00 80.94 ? 110 HIS B CB 1 ATOM 714 C CG . HIS A 1 92 ? -10.690 7.813 -28.595 1.00 85.77 ? 110 HIS B CG 1 ATOM 715 N ND1 . HIS A 1 92 ? -9.402 7.501 -28.215 1.00 87.51 ? 110 HIS B ND1 1 ATOM 716 C CD2 . HIS A 1 92 ? -10.580 8.773 -29.544 1.00 85.07 ? 110 HIS B CD2 1 ATOM 717 C CE1 . HIS A 1 92 ? -8.551 8.244 -28.901 1.00 88.56 ? 110 HIS B CE1 1 ATOM 718 N NE2 . HIS A 1 92 ? -9.240 9.024 -29.714 1.00 87.22 ? 110 HIS B NE2 1 ATOM 719 N N . PHE A 1 93 ? -13.951 6.836 -25.565 1.00 75.46 ? 111 PHE B N 1 ATOM 720 C CA . PHE A 1 93 ? -14.932 5.898 -25.039 1.00 71.11 ? 111 PHE B CA 1 ATOM 721 C C . PHE A 1 93 ? -15.095 6.093 -23.538 1.00 74.82 ? 111 PHE B C 1 ATOM 722 O O . PHE A 1 93 ? -14.234 6.666 -22.864 1.00 76.53 ? 111 PHE B O 1 ATOM 723 C CB . PHE A 1 93 ? -14.528 4.452 -25.345 1.00 60.79 ? 111 PHE B CB 1 ATOM 724 C CG . PHE A 1 93 ? -13.095 4.144 -25.015 1.00 59.29 ? 111 PHE B CG 1 ATOM 725 C CD1 . PHE A 1 93 ? -12.124 4.158 -26.004 1.00 59.69 ? 111 PHE B CD1 1 ATOM 726 C CD2 . PHE A 1 93 ? -12.715 3.851 -23.714 1.00 56.09 ? 111 PHE B CD2 1 ATOM 727 C CE1 . PHE A 1 93 ? -10.805 3.879 -25.705 1.00 63.52 ? 111 PHE B CE1 1 ATOM 728 C CE2 . PHE A 1 93 ? -11.398 3.573 -23.407 1.00 58.59 ? 111 PHE B CE2 1 ATOM 729 C CZ . PHE A 1 93 ? -10.441 3.587 -24.402 1.00 64.09 ? 111 PHE B CZ 1 ATOM 730 N N . SER A 1 94 ? -16.219 5.596 -23.025 1.00 72.95 ? 112 SER B N 1 ATOM 731 C CA . SER A 1 94 ? -16.490 5.593 -21.589 1.00 74.31 ? 112 SER B CA 1 ATOM 732 C C . SER A 1 94 ? -17.374 4.389 -21.297 1.00 72.35 ? 112 SER B C 1 ATOM 733 O O . SER A 1 94 ? -18.529 4.346 -21.734 1.00 70.22 ? 112 SER B O 1 ATOM 734 C CB . SER A 1 94 ? -17.159 6.893 -21.144 1.00 75.76 ? 112 SER B CB 1 ATOM 735 O OG . SER A 1 94 ? -18.458 7.020 -21.698 1.00 76.72 ? 112 SER B OG 1 ATOM 736 N N . LYS A 1 95 ? -16.834 3.414 -20.569 1.00 70.45 ? 113 LYS B N 1 ATOM 737 C CA . LYS A 1 95 ? -17.545 2.175 -20.289 1.00 68.46 ? 113 LYS B CA 1 ATOM 738 C C . LYS A 1 95 ? -17.379 1.816 -18.820 1.00 69.54 ? 113 LYS B C 1 ATOM 739 O O . LYS A 1 95 ? -16.293 1.972 -18.257 1.00 71.18 ? 113 LYS B O 1 ATOM 740 C CB . LYS A 1 95 ? -17.032 1.029 -21.176 1.00 66.57 ? 113 LYS B CB 1 ATOM 741 C CG . LYS A 1 95 ? -17.652 -0.331 -20.884 1.00 65.41 ? 113 LYS B CG 1 ATOM 742 C CD . LYS A 1 95 ? -19.098 -0.400 -21.343 1.00 67.12 ? 113 LYS B CD 1 ATOM 743 C CE . LYS A 1 95 ? -19.199 -0.400 -22.865 1.00 70.67 ? 113 LYS B CE 1 ATOM 744 N NZ . LYS A 1 95 ? -18.528 -1.579 -23.484 1.00 67.42 ? 113 LYS B NZ 1 ATOM 745 N N . SER A 1 96 ? -18.458 1.338 -18.206 1.00 68.67 ? 114 SER B N 1 ATOM 746 C CA . SER A 1 96 ? -18.452 0.937 -16.807 1.00 66.92 ? 114 SER B CA 1 ATOM 747 C C . SER A 1 96 ? -19.098 -0.436 -16.669 1.00 63.13 ? 114 SER B C 1 ATOM 748 O O . SER A 1 96 ? -19.747 -0.938 -17.591 1.00 61.76 ? 114 SER B O 1 ATOM 749 C CB . SER A 1 96 ? -19.173 1.970 -15.929 1.00 70.00 ? 114 SER B CB 1 ATOM 750 O OG . SER A 1 96 ? -20.515 2.149 -16.347 1.00 75.32 ? 114 SER B OG 1 ATOM 751 N N . LYS A 1 97 ? -18.913 -1.044 -15.496 1.00 54.93 ? 115 LYS B N 1 ATOM 752 C CA . LYS A 1 97 ? -19.410 -2.387 -15.231 1.00 49.12 ? 115 LYS B CA 1 ATOM 753 C C . LYS A 1 97 ? -19.566 -2.578 -13.727 1.00 47.32 ? 115 LYS B C 1 ATOM 754 O O . LYS A 1 97 ? -18.782 -2.051 -12.934 1.00 42.53 ? 115 LYS B O 1 ATOM 755 C CB . LYS A 1 97 ? -18.468 -3.451 -15.804 1.00 43.11 ? 115 LYS B CB 1 ATOM 756 C CG . LYS A 1 97 ? -19.007 -4.870 -15.759 1.00 42.22 ? 115 LYS B CG 1 ATOM 757 C CD . LYS A 1 97 ? -17.904 -5.884 -16.010 1.00 48.62 ? 115 LYS B CD 1 ATOM 758 C CE . LYS A 1 97 ? -18.455 -7.300 -16.084 1.00 58.97 ? 115 LYS B CE 1 ATOM 759 N NZ . LYS A 1 97 ? -19.286 -7.522 -17.304 1.00 67.86 ? 115 LYS B NZ 1 ATOM 760 N N . ARG A 1 98 ? -20.582 -3.346 -13.349 1.00 46.22 ? 116 ARG B N 1 ATOM 761 C CA . ARG A 1 98 ? -20.840 -3.649 -11.949 1.00 41.52 ? 116 ARG B CA 1 ATOM 762 C C . ARG A 1 98 ? -19.947 -4.801 -11.506 1.00 47.26 ? 116 ARG B C 1 ATOM 763 O O . ARG A 1 98 ? -19.999 -5.894 -12.078 1.00 48.39 ? 116 ARG B O 1 ATOM 764 C CB . ARG A 1 98 ? -22.311 -3.997 -11.749 1.00 41.69 ? 116 ARG B CB 1 ATOM 765 C CG . ARG A 1 98 ? -22.752 -4.030 -10.304 1.00 46.09 ? 116 ARG B CG 1 ATOM 766 C CD . ARG A 1 98 ? -24.161 -4.566 -10.202 1.00 47.84 ? 116 ARG B CD 1 ATOM 767 N NE . ARG A 1 98 ? -24.212 -6.002 -10.445 1.00 48.81 ? 116 ARG B NE 1 ATOM 768 C CZ . ARG A 1 98 ? -25.316 -6.730 -10.339 1.00 52.35 ? 116 ARG B CZ 1 ATOM 769 N NH1 . ARG A 1 98 ? -26.458 -6.150 -9.997 1.00 53.14 ? 116 ARG B NH1 1 ATOM 770 N NH2 . ARG A 1 98 ? -25.279 -8.035 -10.571 1.00 56.00 ? 116 ARG B NH2 1 ATOM 771 N N . MET A 1 99 ? -19.139 -4.557 -10.479 1.00 44.08 ? 117 MET B N 1 ATOM 772 C CA . MET A 1 99 ? -18.177 -5.505 -9.957 1.00 44.80 ? 117 MET B CA 1 ATOM 773 C C . MET A 1 99 ? -18.543 -5.887 -8.529 1.00 43.68 ? 117 MET B C 1 ATOM 774 O O . MET A 1 99 ? -18.703 -4.998 -7.681 1.00 43.97 ? 117 MET B O 1 ATOM 775 C CB . MET A 1 99 ? -16.768 -4.901 -9.976 1.00 52.01 ? 117 MET B CB 1 ATOM 776 C CG . MET A 1 99 ? -16.296 -4.478 -11.346 1.00 52.00 ? 117 MET B CG 1 ATOM 777 S SD . MET A 1 99 ? -15.762 -5.908 -12.285 1.00 56.24 ? 117 MET B SD 1 ATOM 778 C CE . MET A 1 99 ? -14.231 -6.323 -11.449 1.00 53.86 ? 117 MET B CE 1 ATOM 779 N N . PRO A 1 100 ? -18.681 -7.171 -8.217 1.00 43.11 ? 118 PRO B N 1 ATOM 780 C CA . PRO A 1 100 ? -18.866 -7.563 -6.817 1.00 42.27 ? 118 PRO B CA 1 ATOM 781 C C . PRO A 1 100 ? -17.568 -7.412 -6.039 1.00 37.33 ? 118 PRO B C 1 ATOM 782 O O . PRO A 1 100 ? -16.470 -7.492 -6.593 1.00 37.27 ? 118 PRO B O 1 ATOM 783 C CB . PRO A 1 100 ? -19.295 -9.033 -6.909 1.00 41.46 ? 118 PRO B CB 1 ATOM 784 C CG . PRO A 1 100 ? -19.674 -9.249 -8.362 1.00 43.03 ? 118 PRO B CG 1 ATOM 785 C CD . PRO A 1 100 ? -18.798 -8.319 -9.129 1.00 37.77 ? 118 PRO B CD 1 ATOM 786 N N . ILE A 1 101 ? -17.701 -7.173 -4.737 1.00 40.79 ? 119 ILE B N 1 ATOM 787 C CA . ILE A 1 101 ? -16.542 -7.092 -3.857 1.00 41.61 ? 119 ILE B CA 1 ATOM 788 C C . ILE A 1 101 ? -16.666 -8.154 -2.778 1.00 41.24 ? 119 ILE B C 1 ATOM 789 O O . ILE A 1 101 ? -17.769 -8.559 -2.398 1.00 41.19 ? 119 ILE B O 1 ATOM 790 C CB . ILE A 1 101 ? -16.374 -5.698 -3.215 1.00 38.09 ? 119 ILE B CB 1 ATOM 791 C CG1 . ILE A 1 101 ? -17.570 -5.373 -2.325 1.00 38.21 ? 119 ILE B CG1 1 ATOM 792 C CG2 . ILE A 1 101 ? -16.188 -4.629 -4.284 1.00 38.66 ? 119 ILE B CG2 1 ATOM 793 C CD1 . ILE A 1 101 ? -17.434 -4.057 -1.611 1.00 41.34 ? 119 ILE B CD1 1 ATOM 794 N N . THR A 1 102 ? -15.517 -8.612 -2.291 1.00 41.98 ? 120 THR B N 1 ATOM 795 C CA . THR A 1 102 ? -15.450 -9.490 -1.132 1.00 44.00 ? 120 THR B CA 1 ATOM 796 C C . THR A 1 102 ? -14.624 -8.836 -0.038 1.00 42.63 ? 120 THR B C 1 ATOM 797 O O . THR A 1 102 ? -13.675 -8.092 -0.308 1.00 36.03 ? 120 THR B O 1 ATOM 798 C CB . THR A 1 102 ? -14.836 -10.853 -1.466 1.00 44.86 ? 120 THR B CB 1 ATOM 799 O OG1 . THR A 1 102 ? -13.516 -10.669 -1.996 1.00 43.26 ? 120 THR B OG1 1 ATOM 800 C CG2 . THR A 1 102 ? -15.698 -11.576 -2.476 1.00 56.76 ? 120 THR B CG2 1 ATOM 801 N N . TYR A 1 103 ? -14.992 -9.126 1.205 1.00 42.46 ? 121 TYR B N 1 ATOM 802 C CA . TYR A 1 103 ? -14.255 -8.632 2.354 1.00 41.97 ? 121 TYR B CA 1 ATOM 803 C C . TYR A 1 103 ? -13.253 -9.654 2.874 1.00 42.72 ? 121 TYR B C 1 ATOM 804 O O . TYR A 1 103 ? -12.764 -9.520 3.999 1.00 54.70 ? 121 TYR B O 1 ATOM 805 C CB . TYR A 1 103 ? -15.231 -8.207 3.450 1.00 41.98 ? 121 TYR B CB 1 ATOM 806 C CG . TYR A 1 103 ? -16.127 -7.057 3.035 1.00 40.37 ? 121 TYR B CG 1 ATOM 807 C CD1 . TYR A 1 103 ? -17.311 -7.286 2.346 1.00 37.97 ? 121 TYR B CD1 1 ATOM 808 C CD2 . TYR A 1 103 ? -15.785 -5.744 3.328 1.00 37.92 ? 121 TYR B CD2 1 ATOM 809 C CE1 . TYR A 1 103 ? -18.132 -6.241 1.964 1.00 38.98 ? 121 TYR B CE1 1 ATOM 810 C CE2 . TYR A 1 103 ? -16.599 -4.692 2.953 1.00 44.92 ? 121 TYR B CE2 1 ATOM 811 C CZ . TYR A 1 103 ? -17.771 -4.946 2.271 1.00 44.80 ? 121 TYR B CZ 1 ATOM 812 O OH . TYR A 1 103 ? -18.586 -3.906 1.892 1.00 51.26 ? 121 TYR B OH 1 ATOM 813 N N . ASP A 1 104 ? -12.936 -10.666 2.074 1.00 35.79 ? 122 ASP B N 1 ATOM 814 C CA . ASP A 1 104 ? -11.953 -11.679 2.434 1.00 36.49 ? 122 ASP B CA 1 ATOM 815 C C . ASP A 1 104 ? -10.592 -11.226 1.914 1.00 37.38 ? 122 ASP B C 1 ATOM 816 O O . ASP A 1 104 ? -10.369 -11.179 0.701 1.00 37.17 ? 122 ASP B O 1 ATOM 817 C CB . ASP A 1 104 ? -12.353 -13.031 1.848 1.00 38.57 ? 122 ASP B CB 1 ATOM 818 C CG . ASP A 1 104 ? -11.528 -14.182 2.392 1.00 49.89 ? 122 ASP B CG 1 ATOM 819 O OD1 . ASP A 1 104 ? -10.382 -13.962 2.835 1.00 51.24 ? 122 ASP B OD1 1 ATOM 820 O OD2 . ASP A 1 104 ? -12.032 -15.325 2.366 1.00 59.92 ? 122 ASP B OD2 1 ATOM 821 N N . ASN A 1 105 ? -9.681 -10.899 2.827 1.00 34.80 ? 123 ASN B N 1 ATOM 822 C CA . ASN A 1 105 ? -8.357 -10.409 2.458 1.00 35.39 ? 123 ASN B CA 1 ATOM 823 C C . ASN A 1 105 ? -7.318 -11.033 3.378 1.00 35.34 ? 123 ASN B C 1 ATOM 824 O O . ASN A 1 105 ? -7.381 -10.854 4.597 1.00 35.36 ? 123 ASN B O 1 ATOM 825 C CB . ASN A 1 105 ? -8.304 -8.879 2.540 1.00 36.24 ? 123 ASN B CB 1 ATOM 826 C CG . ASN A 1 105 ? -6.982 -8.314 2.071 1.00 41.38 ? 123 ASN B CG 1 ATOM 827 O OD1 . ASN A 1 105 ? -5.919 -8.720 2.532 1.00 40.42 ? 123 ASN B OD1 1 ATOM 828 N ND2 . ASN A 1 105 ? -7.042 -7.374 1.136 1.00 47.86 ? 123 ASN B ND2 1 ATOM 829 N N . GLY A 1 106 ? -6.366 -11.755 2.800 1.00 35.40 ? 124 GLY B N 1 ATOM 830 C CA . GLY A 1 106 ? -5.258 -12.316 3.550 1.00 36.21 ? 124 GLY B CA 1 ATOM 831 C C . GLY A 1 106 ? -5.472 -13.762 3.955 1.00 36.18 ? 124 GLY B C 1 ATOM 832 O O . GLY A 1 106 ? -6.394 -14.454 3.512 1.00 34.72 ? 124 GLY B O 1 ATOM 833 N N . PHE A 1 107 ? -4.576 -14.220 4.829 1.00 36.29 ? 125 PHE B N 1 ATOM 834 C CA . PHE A 1 107 ? -4.552 -15.591 5.314 1.00 39.58 ? 125 PHE B CA 1 ATOM 835 C C . PHE A 1 107 ? -4.144 -15.598 6.781 1.00 43.78 ? 125 PHE B C 1 ATOM 836 O O . PHE A 1 107 ? -3.228 -14.872 7.190 1.00 43.50 ? 125 PHE B O 1 ATOM 837 C CB . PHE A 1 107 ? -3.589 -16.453 4.484 1.00 39.06 ? 125 PHE B CB 1 ATOM 838 C CG . PHE A 1 107 ? -3.854 -16.395 3.006 1.00 46.85 ? 125 PHE B CG 1 ATOM 839 C CD1 . PHE A 1 107 ? -4.818 -17.209 2.427 1.00 47.25 ? 125 PHE B CD1 1 ATOM 840 C CD2 . PHE A 1 107 ? -3.149 -15.515 2.195 1.00 46.93 ? 125 PHE B CD2 1 ATOM 841 C CE1 . PHE A 1 107 ? -5.068 -17.149 1.068 1.00 45.91 ? 125 PHE B CE1 1 ATOM 842 C CE2 . PHE A 1 107 ? -3.397 -15.452 0.837 1.00 44.20 ? 125 PHE B CE2 1 ATOM 843 C CZ . PHE A 1 107 ? -4.357 -16.271 0.272 1.00 44.85 ? 125 PHE B CZ 1 ATOM 844 N N . LEU A 1 108 ? -4.835 -16.420 7.568 1.00 42.13 ? 126 LEU B N 1 ATOM 845 C CA . LEU A 1 108 ? -4.599 -16.544 9.005 1.00 41.88 ? 126 LEU B CA 1 ATOM 846 C C . LEU A 1 108 ? -4.378 -18.019 9.324 1.00 40.88 ? 126 LEU B C 1 ATOM 847 O O . LEU A 1 108 ? -5.336 -18.795 9.387 1.00 38.81 ? 126 LEU B O 1 ATOM 848 C CB . LEU A 1 108 ? -5.768 -15.977 9.804 1.00 36.18 ? 126 LEU B CB 1 ATOM 849 C CG . LEU A 1 108 ? -5.906 -14.460 9.814 1.00 35.06 ? 126 LEU B CG 1 ATOM 850 C CD1 . LEU A 1 108 ? -7.310 -14.057 10.232 1.00 34.54 ? 126 LEU B CD1 1 ATOM 851 C CD2 . LEU A 1 108 ? -4.872 -13.871 10.755 1.00 39.87 ? 126 LEU B CD2 1 ATOM 852 N N . PHE A 1 109 ? -3.123 -18.400 9.532 1.00 34.39 ? 127 PHE B N 1 ATOM 853 C CA . PHE A 1 109 ? -2.762 -19.770 9.872 1.00 41.72 ? 127 PHE B CA 1 ATOM 854 C C . PHE A 1 109 ? -2.582 -19.889 11.381 1.00 38.22 ? 127 PHE B C 1 ATOM 855 O O . PHE A 1 109 ? -1.676 -19.271 11.952 1.00 35.00 ? 127 PHE B O 1 ATOM 856 C CB . PHE A 1 109 ? -1.486 -20.187 9.143 1.00 44.51 ? 127 PHE B CB 1 ATOM 857 C CG . PHE A 1 109 ? -1.559 -20.004 7.655 1.00 50.70 ? 127 PHE B CG 1 ATOM 858 C CD1 . PHE A 1 109 ? -2.236 -20.918 6.866 1.00 54.14 ? 127 PHE B CD1 1 ATOM 859 C CD2 . PHE A 1 109 ? -0.958 -18.915 7.044 1.00 50.87 ? 127 PHE B CD2 1 ATOM 860 C CE1 . PHE A 1 109 ? -2.313 -20.751 5.497 1.00 56.04 ? 127 PHE B CE1 1 ATOM 861 C CE2 . PHE A 1 109 ? -1.030 -18.745 5.678 1.00 52.99 ? 127 PHE B CE2 1 ATOM 862 C CZ . PHE A 1 109 ? -1.710 -19.663 4.903 1.00 54.31 ? 127 PHE B CZ 1 ATOM 863 N N . ILE A 1 110 ? -3.440 -20.683 12.019 1.00 34.59 ? 128 ILE B N 1 ATOM 864 C CA . ILE A 1 110 ? -3.352 -20.939 13.454 1.00 34.10 ? 128 ILE B CA 1 ATOM 865 C C . ILE A 1 110 ? -2.467 -22.157 13.682 1.00 34.43 ? 128 ILE B C 1 ATOM 866 O O . ILE A 1 110 ? -2.770 -23.254 13.202 1.00 34.59 ? 128 ILE B O 1 ATOM 867 C CB . ILE A 1 110 ? -4.739 -21.162 14.070 1.00 35.88 ? 128 ILE B CB 1 ATOM 868 C CG1 . ILE A 1 110 ? -5.680 -20.014 13.724 1.00 37.95 ? 128 ILE B CG1 1 ATOM 869 C CG2 . ILE A 1 110 ? -4.622 -21.315 15.574 1.00 37.88 ? 128 ILE B CG2 1 ATOM 870 C CD1 . ILE A 1 110 ? -7.104 -20.266 14.156 1.00 40.59 ? 128 ILE B CD1 1 ATOM 871 N N . HIS A 1 111 ? -1.392 -21.975 14.443 1.00 35.51 ? 129 HIS B N 1 ATOM 872 C CA . HIS A 1 111 ? -0.418 -23.025 14.720 1.00 38.75 ? 129 HIS B CA 1 ATOM 873 C C . HIS A 1 111 ? -0.404 -23.306 16.220 1.00 41.75 ? 129 HIS B C 1 ATOM 874 O O . HIS A 1 111 ? 0.015 -22.453 17.013 1.00 43.64 ? 129 HIS B O 1 ATOM 875 C CB . HIS A 1 111 ? 0.965 -22.606 14.222 1.00 39.89 ? 129 HIS B CB 1 ATOM 876 C CG . HIS A 1 111 ? 2.048 -23.597 14.518 1.00 41.15 ? 129 HIS B CG 1 ATOM 877 N ND1 . HIS A 1 111 ? 3.383 -23.252 14.537 1.00 45.62 ? 129 HIS B ND1 1 ATOM 878 C CD2 . HIS A 1 111 ? 1.997 -24.921 14.797 1.00 38.22 ? 129 HIS B CD2 1 ATOM 879 C CE1 . HIS A 1 111 ? 4.107 -24.319 14.822 1.00 44.68 ? 129 HIS B CE1 1 ATOM 880 N NE2 . HIS A 1 111 ? 3.291 -25.345 14.985 1.00 42.55 ? 129 HIS B NE2 1 ATOM 881 N N . THR A 1 112 ? -0.875 -24.492 16.606 1.00 42.49 ? 130 THR B N 1 ATOM 882 C CA . THR A 1 112 ? -0.732 -24.994 17.966 1.00 42.48 ? 130 THR B CA 1 ATOM 883 C C . THR A 1 112 ? 0.411 -26.000 18.010 1.00 46.41 ? 130 THR B C 1 ATOM 884 O O . THR A 1 112 ? 0.678 -26.697 17.028 1.00 51.32 ? 130 THR B O 1 ATOM 885 C CB . THR A 1 112 ? -2.017 -25.661 18.470 1.00 36.60 ? 130 THR B CB 1 ATOM 886 O OG1 . THR A 1 112 ? -2.276 -26.846 17.708 1.00 40.05 ? 130 THR B OG1 1 ATOM 887 C CG2 . THR A 1 112 ? -3.199 -24.721 18.352 1.00 34.81 ? 130 THR B CG2 1 ATOM 888 N N . ASP A 1 113 ? 1.079 -26.079 19.166 1.00 42.02 ? 131 ASP B N 1 ATOM 889 C CA . ASP A 1 113 ? 2.276 -26.910 19.262 1.00 42.65 ? 131 ASP B CA 1 ATOM 890 C C . ASP A 1 113 ? 1.955 -28.386 19.048 1.00 43.91 ? 131 ASP B C 1 ATOM 891 O O . ASP A 1 113 ? 2.702 -29.094 18.363 1.00 48.83 ? 131 ASP B O 1 ATOM 892 C CB . ASP A 1 113 ? 2.973 -26.682 20.609 1.00 51.92 ? 131 ASP B CB 1 ATOM 893 C CG . ASP A 1 113 ? 2.123 -27.097 21.803 1.00 54.31 ? 131 ASP B CG 1 ATOM 894 O OD1 . ASP A 1 113 ? 1.171 -26.366 22.153 1.00 50.70 ? 131 ASP B OD1 1 ATOM 895 O OD2 . ASP A 1 113 ? 2.430 -28.143 22.411 1.00 53.56 ? 131 ASP B OD2 1 ATOM 896 N N . LYS A 1 114 ? 0.852 -28.866 19.604 1.00 43.99 ? 132 LYS B N 1 ATOM 897 C CA . LYS A 1 114 ? 0.433 -30.251 19.468 1.00 37.59 ? 132 LYS B CA 1 ATOM 898 C C . LYS A 1 114 ? -1.012 -30.288 19.003 1.00 36.87 ? 132 LYS B C 1 ATOM 899 O O . LYS A 1 114 ? -1.742 -29.301 19.142 1.00 37.58 ? 132 LYS B O 1 ATOM 900 C CB . LYS A 1 114 ? 0.573 -31.020 20.794 1.00 43.25 ? 132 LYS B CB 1 ATOM 901 C CG . LYS A 1 114 ? 2.005 -31.155 21.312 1.00 44.22 ? 132 LYS B CG 1 ATOM 902 C CD . LYS A 1 114 ? 2.144 -32.272 22.356 1.00 52.05 ? 132 LYS B CD 1 ATOM 903 C CE . LYS A 1 114 ? 1.455 -31.956 23.685 1.00 53.72 ? 132 LYS B CE 1 ATOM 904 N NZ . LYS A 1 114 ? 2.333 -31.216 24.635 1.00 52.72 ? 132 LYS B NZ 1 ATOM 905 N N . PRO A 1 115 ? -1.447 -31.400 18.405 1.00 42.43 ? 133 PRO B N 1 ATOM 906 C CA . PRO A 1 115 ? -2.863 -31.553 18.056 1.00 39.38 ? 133 PRO B CA 1 ATOM 907 C C . PRO A 1 115 ? -3.695 -32.247 19.122 1.00 41.37 ? 133 PRO B C 1 ATOM 908 O O . PRO A 1 115 ? -4.930 -32.245 19.015 1.00 42.52 ? 133 PRO B O 1 ATOM 909 C CB . PRO A 1 115 ? -2.799 -32.408 16.785 1.00 36.91 ? 133 PRO B CB 1 ATOM 910 C CG . PRO A 1 115 ? -1.613 -33.286 17.020 1.00 39.83 ? 133 PRO B CG 1 ATOM 911 C CD . PRO A 1 115 ? -0.614 -32.448 17.787 1.00 42.86 ? 133 PRO B CD 1 ATOM 912 N N . VAL A 1 116 ? -3.061 -32.841 20.132 1.00 41.92 ? 134 VAL B N 1 ATOM 913 C CA . VAL A 1 116 ? -3.750 -33.574 21.188 1.00 46.32 ? 134 VAL B CA 1 ATOM 914 C C . VAL A 1 116 ? -3.174 -33.137 22.528 1.00 47.77 ? 134 VAL B C 1 ATOM 915 O O . VAL A 1 116 ? -1.951 -33.054 22.688 1.00 49.43 ? 134 VAL B O 1 ATOM 916 C CB . VAL A 1 116 ? -3.617 -35.099 21.003 1.00 48.61 ? 134 VAL B CB 1 ATOM 917 C CG1 . VAL A 1 116 ? -4.235 -35.842 22.173 1.00 50.48 ? 134 VAL B CG1 1 ATOM 918 C CG2 . VAL A 1 116 ? -4.281 -35.528 19.705 1.00 54.61 ? 134 VAL B CG2 1 ATOM 919 N N . TYR A 1 117 ? -4.049 -32.852 23.486 1.00 44.72 ? 135 TYR B N 1 ATOM 920 C CA . TYR A 1 117 ? -3.627 -32.414 24.806 1.00 45.28 ? 135 TYR B CA 1 ATOM 921 C C . TYR A 1 117 ? -4.338 -33.219 25.886 1.00 44.33 ? 135 TYR B C 1 ATOM 922 O O . TYR A 1 117 ? -5.449 -33.718 25.685 1.00 42.76 ? 135 TYR B O 1 ATOM 923 C CB . TYR A 1 117 ? -3.905 -30.925 25.010 1.00 43.34 ? 135 TYR B CB 1 ATOM 924 C CG . TYR A 1 117 ? -3.115 -30.009 24.104 1.00 42.76 ? 135 TYR B CG 1 ATOM 925 C CD1 . TYR A 1 117 ? -1.833 -29.601 24.449 1.00 37.54 ? 135 TYR B CD1 1 ATOM 926 C CD2 . TYR A 1 117 ? -3.658 -29.531 22.915 1.00 41.70 ? 135 TYR B CD2 1 ATOM 927 C CE1 . TYR A 1 117 ? -1.110 -28.753 23.637 1.00 41.75 ? 135 TYR B CE1 1 ATOM 928 C CE2 . TYR A 1 117 ? -2.938 -28.682 22.093 1.00 36.32 ? 135 TYR B CE2 1 ATOM 929 C CZ . TYR A 1 117 ? -1.666 -28.295 22.462 1.00 42.86 ? 135 TYR B CZ 1 ATOM 930 O OH . TYR A 1 117 ? -0.938 -27.451 21.655 1.00 45.03 ? 135 TYR B OH 1 ATOM 931 N N . THR A 1 118 ? -3.681 -33.338 27.034 1.00 44.63 ? 136 THR B N 1 ATOM 932 C CA . THR A 1 118 ? -4.227 -33.934 28.244 1.00 45.31 ? 136 THR B CA 1 ATOM 933 C C . THR A 1 118 ? -4.470 -32.858 29.298 1.00 50.06 ? 136 THR B C 1 ATOM 934 O O . THR A 1 118 ? -3.900 -31.764 29.219 1.00 52.50 ? 136 THR B O 1 ATOM 935 C CB . THR A 1 118 ? -3.275 -35.002 28.799 1.00 45.55 ? 136 THR B CB 1 ATOM 936 O OG1 . THR A 1 118 ? -1.925 -34.526 28.730 1.00 49.03 ? 136 THR B OG1 1 ATOM 937 C CG2 . THR A 1 118 ? -3.405 -36.287 28.002 1.00 41.17 ? 136 THR B CG2 1 ATOM 938 N N . PRO A 1 119 ? -5.323 -33.126 30.294 1.00 50.09 ? 137 PRO B N 1 ATOM 939 C CA . PRO A 1 119 ? -5.676 -32.079 31.261 1.00 49.84 ? 137 PRO B CA 1 ATOM 940 C C . PRO A 1 119 ? -4.456 -31.466 31.932 1.00 51.56 ? 137 PRO B C 1 ATOM 941 O O . PRO A 1 119 ? -3.404 -32.097 32.063 1.00 48.59 ? 137 PRO B O 1 ATOM 942 C CB . PRO A 1 119 ? -6.555 -32.819 32.274 1.00 47.28 ? 137 PRO B CB 1 ATOM 943 C CG . PRO A 1 119 ? -7.182 -33.904 31.480 1.00 46.88 ? 137 PRO B CG 1 ATOM 944 C CD . PRO A 1 119 ? -6.134 -34.342 30.493 1.00 47.63 ? 137 PRO B CD 1 ATOM 945 N N . ASP A 1 120 ? -4.614 -30.203 32.334 1.00 55.07 ? 138 ASP B N 1 ATOM 946 C CA . ASP A 1 120 ? -3.616 -29.361 32.987 1.00 62.92 ? 138 ASP B CA 1 ATOM 947 C C . ASP A 1 120 ? -2.479 -28.941 32.062 1.00 61.71 ? 138 ASP B C 1 ATOM 948 O O . ASP A 1 120 ? -1.601 -28.187 32.498 1.00 60.44 ? 138 ASP B O 1 ATOM 949 C CB . ASP A 1 120 ? -3.017 -30.017 34.240 1.00 70.77 ? 138 ASP B CB 1 ATOM 950 C CG . ASP A 1 120 ? -4.028 -30.168 35.351 1.00 77.91 ? 138 ASP B CG 1 ATOM 951 O OD1 . ASP A 1 120 ? -4.378 -29.143 35.973 1.00 79.51 ? 138 ASP B OD1 1 ATOM 952 O OD2 . ASP A 1 120 ? -4.469 -31.309 35.605 1.00 83.20 ? 138 ASP B OD2 1 ATOM 953 N N . GLN A 1 121 ? -2.460 -29.389 30.809 1.00 58.64 ? 139 GLN B N 1 ATOM 954 C CA . GLN A 1 121 ? -1.451 -28.912 29.876 1.00 53.53 ? 139 GLN B CA 1 ATOM 955 C C . GLN A 1 121 ? -1.804 -27.516 29.371 1.00 52.34 ? 139 GLN B C 1 ATOM 956 O O . GLN A 1 121 ? -2.934 -27.040 29.510 1.00 50.57 ? 139 GLN B O 1 ATOM 957 C CB . GLN A 1 121 ? -1.298 -29.876 28.701 1.00 50.38 ? 139 GLN B CB 1 ATOM 958 C CG . GLN A 1 121 ? -0.568 -31.155 29.058 1.00 53.43 ? 139 GLN B CG 1 ATOM 959 C CD . GLN A 1 121 ? -0.355 -32.066 27.868 1.00 58.63 ? 139 GLN B CD 1 ATOM 960 O OE1 . GLN A 1 121 ? -1.114 -32.031 26.902 1.00 61.09 ? 139 GLN B OE1 1 ATOM 961 N NE2 . GLN A 1 121 ? 0.685 -32.890 27.933 1.00 61.07 ? 139 GLN B NE2 1 ATOM 962 N N . SER A 1 122 ? -0.810 -26.851 28.793 1.00 55.75 ? 140 SER B N 1 ATOM 963 C CA . SER A 1 122 ? -0.979 -25.519 28.230 1.00 54.30 ? 140 SER B CA 1 ATOM 964 C C . SER A 1 122 ? -0.767 -25.588 26.725 1.00 51.83 ? 140 SER B C 1 ATOM 965 O O . SER A 1 122 ? 0.245 -26.123 26.255 1.00 45.19 ? 140 SER B O 1 ATOM 966 C CB . SER A 1 122 ? -0.016 -24.515 28.869 1.00 55.93 ? 140 SER B CB 1 ATOM 967 O OG . SER A 1 122 ? -0.368 -24.264 30.218 1.00 61.47 ? 140 SER B OG 1 ATOM 968 N N . VAL A 1 123 ? -1.728 -25.062 25.976 1.00 47.83 ? 141 VAL B N 1 ATOM 969 C CA . VAL A 1 123 ? -1.662 -25.051 24.522 1.00 43.89 ? 141 VAL B CA 1 ATOM 970 C C . VAL A 1 123 ? -0.872 -23.828 24.083 1.00 42.73 ? 141 VAL B C 1 ATOM 971 O O . VAL A 1 123 ? -1.291 -22.690 24.325 1.00 37.29 ? 141 VAL B O 1 ATOM 972 C CB . VAL A 1 123 ? -3.066 -25.047 23.904 1.00 43.79 ? 141 VAL B CB 1 ATOM 973 C CG1 . VAL A 1 123 ? -2.972 -24.977 22.393 1.00 41.98 ? 141 VAL B CG1 1 ATOM 974 C CG2 . VAL A 1 123 ? -3.838 -26.277 24.345 1.00 46.42 ? 141 VAL B CG2 1 ATOM 975 N N . LYS A 1 124 ? 0.276 -24.062 23.448 1.00 39.99 ? 142 LYS B N 1 ATOM 976 C CA . LYS A 1 124 ? 1.029 -22.995 22.801 1.00 49.93 ? 142 LYS B CA 1 ATOM 977 C C . LYS A 1 124 ? 0.437 -22.716 21.422 1.00 48.28 ? 142 LYS B C 1 ATOM 978 O O . LYS A 1 124 ? 0.267 -23.634 20.615 1.00 50.57 ? 142 LYS B O 1 ATOM 979 C CB . LYS A 1 124 ? 2.502 -23.384 22.685 1.00 53.35 ? 142 LYS B CB 1 ATOM 980 C CG . LYS A 1 124 ? 3.141 -23.766 24.012 1.00 53.99 ? 142 LYS B CG 1 ATOM 981 C CD . LYS A 1 124 ? 4.599 -24.156 23.841 1.00 56.15 ? 142 LYS B CD 1 ATOM 982 C CE . LYS A 1 124 ? 5.245 -24.455 25.183 1.00 60.61 ? 142 LYS B CE 1 ATOM 983 N NZ . LYS A 1 124 ? 5.136 -23.290 26.103 1.00 64.05 ? 142 LYS B NZ 1 ATOM 984 N N . VAL A 1 125 ? 0.116 -21.455 21.152 1.00 46.19 ? 143 VAL B N 1 ATOM 985 C CA . VAL A 1 125 ? -0.588 -21.092 19.926 1.00 47.37 ? 143 VAL B CA 1 ATOM 986 C C . VAL A 1 125 ? -0.045 -19.768 19.405 1.00 48.02 ? 143 VAL B C 1 ATOM 987 O O . VAL A 1 125 ? 0.078 -18.797 20.158 1.00 52.10 ? 143 VAL B O 1 ATOM 988 C CB . VAL A 1 125 ? -2.113 -21.011 20.149 1.00 46.55 ? 143 VAL B CB 1 ATOM 989 C CG1 . VAL A 1 125 ? -2.431 -20.253 21.424 1.00 45.49 ? 143 VAL B CG1 1 ATOM 990 C CG2 . VAL A 1 125 ? -2.796 -20.353 18.962 1.00 47.49 ? 143 VAL B CG2 1 ATOM 991 N N . ARG A 1 126 ? 0.291 -19.733 18.119 1.00 46.98 ? 144 ARG B N 1 ATOM 992 C CA . ARG A 1 126 ? 0.618 -18.483 17.451 1.00 45.91 ? 144 ARG B CA 1 ATOM 993 C C . ARG A 1 126 ? -0.079 -18.464 16.099 1.00 41.96 ? 144 ARG B C 1 ATOM 994 O O . ARG A 1 126 ? -0.554 -19.490 15.614 1.00 47.03 ? 144 ARG B O 1 ATOM 995 C CB . ARG A 1 126 ? 2.130 -18.297 17.286 1.00 46.59 ? 144 ARG B CB 1 ATOM 996 C CG . ARG A 1 126 ? 2.828 -19.421 16.556 1.00 45.73 ? 144 ARG B CG 1 ATOM 997 C CD . ARG A 1 126 ? 4.268 -19.041 16.275 1.00 46.54 ? 144 ARG B CD 1 ATOM 998 N NE . ARG A 1 126 ? 5.127 -20.208 16.122 1.00 50.60 ? 144 ARG B NE 1 ATOM 999 C CZ . ARG A 1 126 ? 6.030 -20.593 17.017 1.00 48.67 ? 144 ARG B CZ 1 ATOM 1000 N NH1 . ARG A 1 126 ? 6.202 -19.897 18.132 1.00 49.73 ? 144 ARG B NH1 1 ATOM 1001 N NH2 . ARG A 1 126 ? 6.770 -21.669 16.789 1.00 48.74 ? 144 ARG B NH2 1 ATOM 1002 N N . VAL A 1 127 ? -0.153 -17.283 15.497 1.00 38.39 ? 145 VAL B N 1 ATOM 1003 C CA . VAL A 1 127 ? -0.855 -17.104 14.233 1.00 40.28 ? 145 VAL B CA 1 ATOM 1004 C C . VAL A 1 127 ? 0.089 -16.463 13.227 1.00 41.89 ? 145 VAL B C 1 ATOM 1005 O O . VAL A 1 127 ? 0.724 -15.445 13.522 1.00 42.22 ? 145 VAL B O 1 ATOM 1006 C CB . VAL A 1 127 ? -2.127 -16.253 14.403 1.00 39.76 ? 145 VAL B CB 1 ATOM 1007 C CG1 . VAL A 1 127 ? -2.744 -15.943 13.052 1.00 36.18 ? 145 VAL B CG1 1 ATOM 1008 C CG2 . VAL A 1 127 ? -3.130 -16.977 15.290 1.00 41.06 ? 145 VAL B CG2 1 ATOM 1009 N N . TYR A 1 128 ? 0.195 -17.069 12.048 1.00 43.18 ? 146 TYR B N 1 ATOM 1010 C CA . TYR A 1 128 ? 0.878 -16.453 10.916 1.00 40.77 ? 146 TYR B CA 1 ATOM 1011 C C . TYR A 1 128 ? -0.159 -15.699 10.091 1.00 38.08 ? 146 TYR B C 1 ATOM 1012 O O . TYR A 1 128 ? -1.145 -16.292 9.638 1.00 35.97 ? 146 TYR B O 1 ATOM 1013 C CB . TYR A 1 128 ? 1.598 -17.507 10.078 1.00 39.16 ? 146 TYR B CB 1 ATOM 1014 C CG . TYR A 1 128 ? 2.477 -18.424 10.899 1.00 39.91 ? 146 TYR B CG 1 ATOM 1015 C CD1 . TYR A 1 128 ? 3.669 -17.969 11.445 1.00 39.76 ? 146 TYR B CD1 1 ATOM 1016 C CD2 . TYR A 1 128 ? 2.111 -19.743 11.130 1.00 39.69 ? 146 TYR B CD2 1 ATOM 1017 C CE1 . TYR A 1 128 ? 4.471 -18.799 12.196 1.00 41.82 ? 146 TYR B CE1 1 ATOM 1018 C CE2 . TYR A 1 128 ? 2.907 -20.582 11.878 1.00 37.90 ? 146 TYR B CE2 1 ATOM 1019 C CZ . TYR A 1 128 ? 4.085 -20.105 12.410 1.00 47.14 ? 146 TYR B CZ 1 ATOM 1020 O OH . TYR A 1 128 ? 4.879 -20.939 13.160 1.00 49.21 ? 146 TYR B OH 1 ATOM 1021 N N . SER A 1 129 ? 0.049 -14.394 9.916 1.00 37.42 ? 147 SER B N 1 ATOM 1022 C CA . SER A 1 129 ? -0.944 -13.508 9.320 1.00 44.81 ? 147 SER B CA 1 ATOM 1023 C C . SER A 1 129 ? -0.351 -12.812 8.101 1.00 45.77 ? 147 SER B C 1 ATOM 1024 O O . SER A 1 129 ? 0.580 -12.011 8.233 1.00 49.88 ? 147 SER B O 1 ATOM 1025 C CB . SER A 1 129 ? -1.426 -12.479 10.345 1.00 44.73 ? 147 SER B CB 1 ATOM 1026 O OG . SER A 1 129 ? -2.411 -11.622 9.792 1.00 54.33 ? 147 SER B OG 1 ATOM 1027 N N . LEU A 1 130 ? -0.897 -13.103 6.921 1.00 42.17 ? 148 LEU B N 1 ATOM 1028 C CA . LEU A 1 130 ? -0.476 -12.455 5.684 1.00 43.59 ? 148 LEU B CA 1 ATOM 1029 C C . LEU A 1 130 ? -1.643 -11.690 5.069 1.00 45.92 ? 148 LEU B C 1 ATOM 1030 O O . LEU A 1 130 ? -2.807 -12.046 5.263 1.00 42.80 ? 148 LEU B O 1 ATOM 1031 C CB . LEU A 1 130 ? 0.060 -13.470 4.659 1.00 42.04 ? 148 LEU B CB 1 ATOM 1032 C CG . LEU A 1 130 ? 1.355 -14.230 4.959 1.00 43.94 ? 148 LEU B CG 1 ATOM 1033 C CD1 . LEU A 1 130 ? 2.379 -13.312 5.593 1.00 41.63 ? 148 LEU B CD1 1 ATOM 1034 C CD2 . LEU A 1 130 ? 1.093 -15.433 5.843 1.00 50.07 ? 148 LEU B CD2 1 ATOM 1035 N N . ASN A 1 131 ? -1.329 -10.634 4.322 1.00 47.61 ? 149 ASN B N 1 ATOM 1036 C CA . ASN A 1 131 ? -2.356 -9.921 3.577 1.00 51.00 ? 149 ASN B CA 1 ATOM 1037 C C . ASN A 1 131 ? -2.557 -10.594 2.217 1.00 52.94 ? 149 ASN B C 1 ATOM 1038 O O . ASN A 1 131 ? -1.990 -11.653 1.935 1.00 54.62 ? 149 ASN B O 1 ATOM 1039 C CB . ASN A 1 131 ? -1.999 -8.439 3.450 1.00 47.90 ? 149 ASN B CB 1 ATOM 1040 C CG . ASN A 1 131 ? -0.672 -8.206 2.748 1.00 40.70 ? 149 ASN B CG 1 ATOM 1041 O OD1 . ASN A 1 131 ? -0.258 -8.983 1.890 1.00 40.67 ? 149 ASN B OD1 1 ATOM 1042 N ND2 . ASN A 1 131 ? 0.001 -7.123 3.114 1.00 41.93 ? 149 ASN B ND2 1 ATOM 1043 N N . ASP A 1 132 ? -3.364 -9.971 1.353 1.00 55.63 ? 150 ASP B N 1 ATOM 1044 C CA . ASP A 1 132 ? -3.684 -10.565 0.057 1.00 58.12 ? 150 ASP B CA 1 ATOM 1045 C C . ASP A 1 132 ? -2.449 -10.726 -0.820 1.00 54.61 ? 150 ASP B C 1 ATOM 1046 O O . ASP A 1 132 ? -2.393 -11.636 -1.656 1.00 56.27 ? 150 ASP B O 1 ATOM 1047 C CB . ASP A 1 132 ? -4.732 -9.712 -0.659 1.00 65.39 ? 150 ASP B CB 1 ATOM 1048 C CG . ASP A 1 132 ? -4.257 -8.292 -0.903 1.00 70.80 ? 150 ASP B CG 1 ATOM 1049 O OD1 . ASP A 1 132 ? -4.425 -7.443 -0.002 1.00 73.15 ? 150 ASP B OD1 1 ATOM 1050 O OD2 . ASP A 1 132 ? -3.716 -8.025 -1.997 1.00 71.16 ? 150 ASP B OD2 1 ATOM 1051 N N . ASP A 1 133 ? -1.454 -9.859 -0.649 1.00 53.79 ? 151 ASP B N 1 ATOM 1052 C CA . ASP A 1 133 ? -0.210 -9.926 -1.398 1.00 54.00 ? 151 ASP B CA 1 ATOM 1053 C C . ASP A 1 133 ? 0.828 -10.832 -0.732 1.00 52.46 ? 151 ASP B C 1 ATOM 1054 O O . ASP A 1 133 ? 2.016 -10.751 -1.068 1.00 51.33 ? 151 ASP B O 1 ATOM 1055 C CB . ASP A 1 133 ? 0.350 -8.514 -1.591 1.00 61.00 ? 151 ASP B CB 1 ATOM 1056 C CG . ASP A 1 133 ? 1.272 -8.407 -2.786 1.00 69.65 ? 151 ASP B CG 1 ATOM 1057 O OD1 . ASP A 1 133 ? 2.482 -8.170 -2.581 1.00 72.97 ? 151 ASP B OD1 1 ATOM 1058 O OD2 . ASP A 1 133 ? 0.788 -8.558 -3.928 1.00 72.11 ? 151 ASP B OD2 1 ATOM 1059 N N . LEU A 1 134 ? 0.406 -11.685 0.208 1.00 50.44 ? 152 LEU B N 1 ATOM 1060 C CA . LEU A 1 134 ? 1.294 -12.645 0.871 1.00 47.76 ? 152 LEU B CA 1 ATOM 1061 C C . LEU A 1 134 ? 2.452 -11.941 1.586 1.00 49.49 ? 152 LEU B C 1 ATOM 1062 O O . LEU A 1 134 ? 3.614 -12.337 1.482 1.00 55.32 ? 152 LEU B O 1 ATOM 1063 C CB . LEU A 1 134 ? 1.813 -13.692 -0.120 1.00 43.99 ? 152 LEU B CB 1 ATOM 1064 C CG . LEU A 1 134 ? 0.833 -14.781 -0.561 1.00 43.87 ? 152 LEU B CG 1 ATOM 1065 C CD1 . LEU A 1 134 ? 0.121 -15.353 0.646 1.00 38.58 ? 152 LEU B CD1 1 ATOM 1066 C CD2 . LEU A 1 134 ? -0.176 -14.274 -1.578 1.00 49.87 ? 152 LEU B CD2 1 ATOM 1067 N N . LYS A 1 135 ? 2.123 -10.890 2.322 1.00 46.76 ? 153 LYS B N 1 ATOM 1068 C CA . LYS A 1 135 ? 3.063 -10.131 3.130 1.00 51.31 ? 153 LYS B CA 1 ATOM 1069 C C . LYS A 1 135 ? 2.500 -9.961 4.532 1.00 51.21 ? 153 LYS B C 1 ATOM 1070 O O . LYS A 1 135 ? 1.282 -10.026 4.730 1.00 53.12 ? 153 LYS B O 1 ATOM 1071 C CB . LYS A 1 135 ? 3.343 -8.755 2.508 1.00 52.55 ? 153 LYS B CB 1 ATOM 1072 C CG . LYS A 1 135 ? 4.197 -8.811 1.266 1.00 51.94 ? 153 LYS B CG 1 ATOM 1073 C CD . LYS A 1 135 ? 4.532 -7.420 0.781 1.00 53.31 ? 153 LYS B CD 1 ATOM 1074 C CE . LYS A 1 135 ? 5.503 -7.490 -0.368 1.00 59.52 ? 153 LYS B CE 1 ATOM 1075 N NZ . LYS A 1 135 ? 4.978 -8.404 -1.417 1.00 65.99 ? 153 LYS B NZ 1 ATOM 1076 N N . PRO A 1 136 ? 3.369 -9.759 5.539 1.00 46.54 ? 154 PRO B N 1 ATOM 1077 C CA . PRO A 1 136 ? 2.881 -9.580 6.916 1.00 46.40 ? 154 PRO B CA 1 ATOM 1078 C C . PRO A 1 136 ? 1.734 -8.584 7.011 1.00 49.55 ? 154 PRO B C 1 ATOM 1079 O O . PRO A 1 136 ? 1.894 -7.407 6.674 1.00 53.55 ? 154 PRO B O 1 ATOM 1080 C CB . PRO A 1 136 ? 4.127 -9.082 7.661 1.00 46.79 ? 154 PRO B CB 1 ATOM 1081 C CG . PRO A 1 136 ? 5.267 -9.697 6.912 1.00 44.67 ? 154 PRO B CG 1 ATOM 1082 C CD . PRO A 1 136 ? 4.843 -9.762 5.467 1.00 47.58 ? 154 PRO B CD 1 ATOM 1083 N N . ALA A 1 137 ? 0.564 -9.057 7.454 1.00 45.55 ? 155 ALA B N 1 ATOM 1084 C CA . ALA A 1 137 ? -0.634 -8.220 7.430 1.00 44.82 ? 155 ALA B CA 1 ATOM 1085 C C . ALA A 1 137 ? -0.542 -7.072 8.429 1.00 46.95 ? 155 ALA B C 1 ATOM 1086 O O . ALA A 1 137 ? -1.035 -5.970 8.158 1.00 44.62 ? 155 ALA B O 1 ATOM 1087 C CB . ALA A 1 137 ? -1.874 -9.068 7.708 1.00 42.68 ? 155 ALA B CB 1 ATOM 1088 N N . LYS A 1 138 ? 0.069 -7.315 9.591 1.00 49.71 ? 156 LYS B N 1 ATOM 1089 C CA . LYS A 1 138 ? 0.195 -6.311 10.651 1.00 49.98 ? 156 LYS B CA 1 ATOM 1090 C C . LYS A 1 138 ? -1.166 -5.765 11.083 1.00 49.56 ? 156 LYS B C 1 ATOM 1091 O O . LYS A 1 138 ? -1.298 -4.581 11.405 1.00 51.68 ? 156 LYS B O 1 ATOM 1092 C CB . LYS A 1 138 ? 1.123 -5.169 10.230 1.00 48.13 ? 156 LYS B CB 1 ATOM 1093 C CG . LYS A 1 138 ? 2.547 -5.603 9.927 1.00 51.90 ? 156 LYS B CG 1 ATOM 1094 C CD . LYS A 1 138 ? 3.378 -4.437 9.420 1.00 62.20 ? 156 LYS B CD 1 ATOM 1095 C CE . LYS A 1 138 ? 4.781 -4.878 9.041 1.00 72.02 ? 156 LYS B CE 1 ATOM 1096 N NZ . LYS A 1 138 ? 5.599 -3.749 8.517 1.00 77.85 ? 156 LYS B NZ 1 ATOM 1097 N N . ARG A 1 139 ? -2.183 -6.625 11.080 1.00 43.82 ? 157 ARG B N 1 ATOM 1098 C CA . ARG A 1 139 ? -3.521 -6.295 11.550 1.00 40.70 ? 157 ARG B CA 1 ATOM 1099 C C . ARG A 1 139 ? -3.760 -6.980 12.887 1.00 47.54 ? 157 ARG B C 1 ATOM 1100 O O . ARG A 1 139 ? -3.333 -8.122 13.091 1.00 45.91 ? 157 ARG B O 1 ATOM 1101 C CB . ARG A 1 139 ? -4.586 -6.749 10.545 1.00 42.65 ? 157 ARG B CB 1 ATOM 1102 C CG . ARG A 1 139 ? -4.312 -6.338 9.108 1.00 42.26 ? 157 ARG B CG 1 ATOM 1103 C CD . ARG A 1 139 ? -5.154 -7.131 8.117 1.00 41.08 ? 157 ARG B CD 1 ATOM 1104 N NE . ARG A 1 139 ? -4.828 -6.763 6.741 1.00 46.47 ? 157 ARG B NE 1 ATOM 1105 C CZ . ARG A 1 139 ? -5.245 -7.424 5.665 1.00 47.92 ? 157 ARG B CZ 1 ATOM 1106 N NH1 . ARG A 1 139 ? -6.010 -8.500 5.794 1.00 42.88 ? 157 ARG B NH1 1 ATOM 1107 N NH2 . ARG A 1 139 ? -4.892 -7.010 4.457 1.00 38.75 ? 157 ARG B NH2 1 ATOM 1108 N N . GLU A 1 140 ? -4.442 -6.292 13.800 1.00 50.17 ? 158 GLU B N 1 ATOM 1109 C CA . GLU A 1 140 ? -4.729 -6.911 15.087 1.00 54.61 ? 158 GLU B CA 1 ATOM 1110 C C . GLU A 1 140 ? -5.723 -8.052 14.906 1.00 49.73 ? 158 GLU B C 1 ATOM 1111 O O . GLU A 1 140 ? -6.669 -7.967 14.119 1.00 50.76 ? 158 GLU B O 1 ATOM 1112 C CB . GLU A 1 140 ? -5.245 -5.885 16.098 1.00 58.92 ? 158 GLU B CB 1 ATOM 1113 C CG . GLU A 1 140 ? -6.462 -5.097 15.673 1.00 69.57 ? 158 GLU B CG 1 ATOM 1114 C CD . GLU A 1 140 ? -6.927 -4.137 16.754 1.00 74.93 ? 158 GLU B CD 1 ATOM 1115 O OE1 . GLU A 1 140 ? -6.481 -4.280 17.914 1.00 66.20 ? 158 GLU B OE1 1 ATOM 1116 O OE2 . GLU A 1 140 ? -7.738 -3.239 16.441 1.00 81.21 ? 158 GLU B OE2 1 ATOM 1117 N N . THR A 1 141 ? -5.488 -9.133 15.635 1.00 45.07 ? 159 THR B N 1 ATOM 1118 C CA . THR A 1 141 ? -6.136 -10.410 15.405 1.00 39.46 ? 159 THR B CA 1 ATOM 1119 C C . THR A 1 141 ? -6.827 -10.871 16.680 1.00 42.68 ? 159 THR B C 1 ATOM 1120 O O . THR A 1 141 ? -6.329 -10.642 17.789 1.00 40.70 ? 159 THR B O 1 ATOM 1121 C CB . THR A 1 141 ? -5.103 -11.435 14.944 1.00 41.09 ? 159 THR B CB 1 ATOM 1122 O OG1 . THR A 1 141 ? -4.420 -10.912 13.800 1.00 40.95 ? 159 THR B OG1 1 ATOM 1123 C CG2 . THR A 1 141 ? -5.760 -12.756 14.578 1.00 48.27 ? 159 THR B CG2 1 ATOM 1124 N N . VAL A 1 142 ? -7.980 -11.510 16.507 1.00 39.78 ? 160 VAL B N 1 ATOM 1125 C CA . VAL A 1 142 ? -8.804 -12.007 17.599 1.00 44.47 ? 160 VAL B CA 1 ATOM 1126 C C . VAL A 1 142 ? -8.836 -13.525 17.517 1.00 46.29 ? 160 VAL B C 1 ATOM 1127 O O . VAL A 1 142 ? -9.174 -14.089 16.467 1.00 46.31 ? 160 VAL B O 1 ATOM 1128 C CB . VAL A 1 142 ? -10.225 -11.421 17.537 1.00 37.43 ? 160 VAL B CB 1 ATOM 1129 C CG1 . VAL A 1 142 ? -11.073 -11.952 18.677 1.00 37.70 ? 160 VAL B CG1 1 ATOM 1130 C CG2 . VAL A 1 142 ? -10.169 -9.910 17.576 1.00 38.47 ? 160 VAL B CG2 1 ATOM 1131 N N . LEU A 1 143 ? -8.470 -14.178 18.618 1.00 45.02 ? 161 LEU B N 1 ATOM 1132 C CA . LEU A 1 143 ? -8.557 -15.623 18.771 1.00 38.13 ? 161 LEU B CA 1 ATOM 1133 C C . LEU A 1 143 ? -9.726 -15.963 19.682 1.00 40.36 ? 161 LEU B C 1 ATOM 1134 O O . LEU A 1 143 ? -9.900 -15.346 20.741 1.00 42.56 ? 161 LEU B O 1 ATOM 1135 C CB . LEU A 1 143 ? -7.274 -16.205 19.361 1.00 35.75 ? 161 LEU B CB 1 ATOM 1136 C CG . LEU A 1 143 ? -6.100 -16.503 18.441 1.00 47.53 ? 161 LEU B CG 1 ATOM 1137 C CD1 . LEU A 1 143 ? -5.118 -17.392 19.180 1.00 35.56 ? 161 LEU B CD1 1 ATOM 1138 C CD2 . LEU A 1 143 ? -6.576 -17.159 17.152 1.00 50.07 ? 161 LEU B CD2 1 ATOM 1139 N N . THR A 1 144 ? -10.507 -16.953 19.275 1.00 39.82 ? 162 THR B N 1 ATOM 1140 C CA . THR A 1 144 ? -11.634 -17.447 20.045 1.00 38.19 ? 162 THR B CA 1 ATOM 1141 C C . THR A 1 144 ? -11.447 -18.939 20.271 1.00 40.43 ? 162 THR B C 1 ATOM 1142 O O . THR A 1 144 ? -10.981 -19.655 19.378 1.00 40.43 ? 162 THR B O 1 ATOM 1143 C CB . THR A 1 144 ? -12.948 -17.173 19.316 1.00 37.49 ? 162 THR B CB 1 ATOM 1144 O OG1 . THR A 1 144 ? -13.047 -15.771 19.051 1.00 37.91 ? 162 THR B OG1 1 ATOM 1145 C CG2 . THR A 1 144 ? -14.136 -17.597 20.160 1.00 45.48 ? 162 THR B CG2 1 ATOM 1146 N N . PHE A 1 145 ? -11.791 -19.397 21.473 1.00 36.89 ? 163 PHE B N 1 ATOM 1147 C CA . PHE A 1 145 ? -11.709 -20.804 21.842 1.00 35.88 ? 163 PHE B CA 1 ATOM 1148 C C . PHE A 1 145 ? -13.115 -21.336 22.085 1.00 39.39 ? 163 PHE B C 1 ATOM 1149 O O . PHE A 1 145 ? -13.841 -20.812 22.936 1.00 39.71 ? 163 PHE B O 1 ATOM 1150 C CB . PHE A 1 145 ? -10.839 -20.991 23.085 1.00 41.23 ? 163 PHE B CB 1 ATOM 1151 C CG . PHE A 1 145 ? -9.364 -20.938 22.806 1.00 41.01 ? 163 PHE B CG 1 ATOM 1152 C CD1 . PHE A 1 145 ? -8.765 -19.763 22.390 1.00 35.90 ? 163 PHE B CD1 1 ATOM 1153 C CD2 . PHE A 1 145 ? -8.575 -22.064 22.969 1.00 41.70 ? 163 PHE B CD2 1 ATOM 1154 C CE1 . PHE A 1 145 ? -7.407 -19.715 22.134 1.00 35.77 ? 163 PHE B CE1 1 ATOM 1155 C CE2 . PHE A 1 145 ? -7.218 -22.021 22.714 1.00 41.44 ? 163 PHE B CE2 1 ATOM 1156 C CZ . PHE A 1 145 ? -6.634 -20.845 22.296 1.00 35.62 ? 163 PHE B CZ 1 ATOM 1157 N N . ILE A 1 146 ? -13.493 -22.373 21.339 1.00 40.80 ? 164 ILE B N 1 ATOM 1158 C CA . ILE A 1 146 ? -14.785 -23.037 21.484 1.00 39.58 ? 164 ILE B CA 1 ATOM 1159 C C . ILE A 1 146 ? -14.536 -24.470 21.937 1.00 42.53 ? 164 ILE B C 1 ATOM 1160 O O . ILE A 1 146 ? -13.750 -25.197 21.315 1.00 46.39 ? 164 ILE B O 1 ATOM 1161 C CB . ILE A 1 146 ? -15.600 -23.011 20.176 1.00 37.34 ? 164 ILE B CB 1 ATOM 1162 C CG1 . ILE A 1 146 ? -15.872 -21.573 19.732 1.00 37.61 ? 164 ILE B CG1 1 ATOM 1163 C CG2 . ILE A 1 146 ? -16.926 -23.736 20.355 1.00 39.25 ? 164 ILE B CG2 1 ATOM 1164 C CD1 . ILE A 1 146 ? -14.862 -21.039 18.753 1.00 37.85 ? 164 ILE B CD1 1 ATOM 1165 N N . ASP A 1 147 ? -15.203 -24.869 23.016 1.00 40.71 ? 165 ASP B N 1 ATOM 1166 C CA . ASP A 1 147 ? -15.023 -26.193 23.594 1.00 41.35 ? 165 ASP B CA 1 ATOM 1167 C C . ASP A 1 147 ? -15.902 -27.204 22.862 1.00 41.50 ? 165 ASP B C 1 ATOM 1168 O O . ASP A 1 147 ? -16.740 -26.834 22.037 1.00 38.10 ? 165 ASP B O 1 ATOM 1169 C CB . ASP A 1 147 ? -15.311 -26.143 25.098 1.00 40.77 ? 165 ASP B CB 1 ATOM 1170 C CG . ASP A 1 147 ? -16.717 -25.668 25.433 1.00 48.75 ? 165 ASP B CG 1 ATOM 1171 O OD1 . ASP A 1 147 ? -17.606 -25.656 24.554 1.00 54.02 ? 165 ASP B OD1 1 ATOM 1172 O OD2 . ASP A 1 147 ? -16.937 -25.310 26.608 1.00 51.87 ? 165 ASP B OD2 1 ATOM 1173 N N . PRO A 1 148 ? -15.720 -28.503 23.129 1.00 40.93 ? 166 PRO B N 1 ATOM 1174 C CA . PRO A 1 148 ? -16.531 -29.514 22.429 1.00 38.83 ? 166 PRO B CA 1 ATOM 1175 C C . PRO A 1 148 ? -18.029 -29.358 22.612 1.00 43.19 ? 166 PRO B C 1 ATOM 1176 O O . PRO A 1 148 ? -18.791 -29.990 21.873 1.00 47.36 ? 166 PRO B O 1 ATOM 1177 C CB . PRO A 1 148 ? -16.040 -30.833 23.037 1.00 39.30 ? 166 PRO B CB 1 ATOM 1178 C CG . PRO A 1 148 ? -14.646 -30.546 23.455 1.00 38.64 ? 166 PRO B CG 1 ATOM 1179 C CD . PRO A 1 148 ? -14.611 -29.116 23.882 1.00 43.37 ? 166 PRO B CD 1 ATOM 1180 N N . GLU A 1 149 ? -18.485 -28.552 23.563 1.00 45.69 ? 167 GLU B N 1 ATOM 1181 C CA . GLU A 1 149 ? -19.910 -28.362 23.787 1.00 41.57 ? 167 GLU B CA 1 ATOM 1182 C C . GLU A 1 149 ? -20.428 -27.086 23.146 1.00 41.35 ? 167 GLU B C 1 ATOM 1183 O O . GLU A 1 149 ? -21.589 -26.724 23.359 1.00 42.42 ? 167 GLU B O 1 ATOM 1184 C CB . GLU A 1 149 ? -20.211 -28.365 25.284 1.00 50.02 ? 167 GLU B CB 1 ATOM 1185 C CG . GLU A 1 149 ? -19.755 -29.633 25.983 1.00 50.77 ? 167 GLU B CG 1 ATOM 1186 C CD . GLU A 1 149 ? -20.338 -30.885 25.356 1.00 54.96 ? 167 GLU B CD 1 ATOM 1187 O OE1 . GLU A 1 149 ? -21.569 -30.934 25.147 1.00 60.34 ? 167 GLU B OE1 1 ATOM 1188 O OE2 . GLU A 1 149 ? -19.562 -31.821 25.068 1.00 51.75 ? 167 GLU B OE2 1 ATOM 1189 N N . GLY A 1 150 ? -19.598 -26.401 22.366 1.00 40.46 ? 168 GLY B N 1 ATOM 1190 C CA . GLY A 1 150 ? -20.027 -25.225 21.645 1.00 42.44 ? 168 GLY B CA 1 ATOM 1191 C C . GLY A 1 150 ? -19.971 -23.927 22.416 1.00 50.57 ? 168 GLY B C 1 ATOM 1192 O O . GLY A 1 150 ? -20.517 -22.925 21.939 1.00 58.32 ? 168 GLY B O 1 ATOM 1193 N N . SER A 1 151 ? -19.330 -23.904 23.583 1.00 44.07 ? 169 SER B N 1 ATOM 1194 C CA . SER A 1 151 ? -19.233 -22.692 24.384 1.00 44.26 ? 169 SER B CA 1 ATOM 1195 C C . SER A 1 151 ? -17.963 -21.925 24.032 1.00 43.91 ? 169 SER B C 1 ATOM 1196 O O . SER A 1 151 ? -16.872 -22.500 24.003 1.00 39.05 ? 169 SER B O 1 ATOM 1197 C CB . SER A 1 151 ? -19.250 -23.027 25.877 1.00 49.55 ? 169 SER B CB 1 ATOM 1198 O OG . SER A 1 151 ? -20.482 -23.610 26.267 1.00 54.59 ? 169 SER B OG 1 ATOM 1199 N N . GLU A 1 152 ? -18.112 -20.628 23.756 1.00 47.38 ? 170 GLU B N 1 ATOM 1200 C CA . GLU A 1 152 ? -16.966 -19.737 23.593 1.00 50.50 ? 170 GLU B CA 1 ATOM 1201 C C . GLU A 1 152 ? -16.426 -19.410 24.978 1.00 50.21 ? 170 GLU B C 1 ATOM 1202 O O . GLU A 1 152 ? -17.046 -18.652 25.732 1.00 56.30 ? 170 GLU B O 1 ATOM 1203 C CB . GLU A 1 152 ? -17.361 -18.467 22.844 1.00 59.62 ? 170 GLU B CB 1 ATOM 1204 C CG . GLU A 1 152 ? -17.837 -18.698 21.418 1.00 71.01 ? 170 GLU B CG 1 ATOM 1205 C CD . GLU A 1 152 ? -18.186 -17.406 20.698 1.00 77.57 ? 170 GLU B CD 1 ATOM 1206 O OE1 . GLU A 1 152 ? -17.932 -16.319 21.261 1.00 84.74 ? 170 GLU B OE1 1 ATOM 1207 O OE2 . GLU A 1 152 ? -18.715 -17.477 19.569 1.00 75.25 ? 170 GLU B OE2 1 ATOM 1208 N N . VAL A 1 153 ? -15.269 -19.979 25.316 1.00 44.66 ? 171 VAL B N 1 ATOM 1209 C CA . VAL A 1 153 ? -14.753 -19.904 26.680 1.00 46.74 ? 171 VAL B CA 1 ATOM 1210 C C . VAL A 1 153 ? -13.607 -18.916 26.838 1.00 39.96 ? 171 VAL B C 1 ATOM 1211 O O . VAL A 1 153 ? -13.260 -18.571 27.977 1.00 54.41 ? 171 VAL B O 1 ATOM 1212 C CB . VAL A 1 153 ? -14.314 -21.298 27.182 1.00 43.76 ? 171 VAL B CB 1 ATOM 1213 C CG1 . VAL A 1 153 ? -15.511 -22.238 27.229 1.00 45.66 ? 171 VAL B CG1 1 ATOM 1214 C CG2 . VAL A 1 153 ? -13.202 -21.867 26.307 1.00 38.71 ? 171 VAL B CG2 1 ATOM 1215 N N . ASP A 1 154 ? -13.010 -18.447 25.748 1.00 47.49 ? 172 ASP B N 1 ATOM 1216 C CA . ASP A 1 154 ? -11.949 -17.458 25.866 1.00 46.65 ? 172 ASP B CA 1 ATOM 1217 C C . ASP A 1 154 ? -11.812 -16.720 24.541 1.00 46.21 ? 172 ASP B C 1 ATOM 1218 O O . ASP A 1 154 ? -12.006 -17.304 23.471 1.00 45.62 ? 172 ASP B O 1 ATOM 1219 C CB . ASP A 1 154 ? -10.618 -18.109 26.267 1.00 45.70 ? 172 ASP B CB 1 ATOM 1220 C CG . ASP A 1 154 ? -9.570 -17.090 26.695 1.00 49.01 ? 172 ASP B CG 1 ATOM 1221 O OD1 . ASP A 1 154 ? -9.943 -15.931 26.967 1.00 50.86 ? 172 ASP B OD1 1 ATOM 1222 O OD2 . ASP A 1 154 ? -8.373 -17.450 26.767 1.00 51.44 ? 172 ASP B OD2 1 ATOM 1223 N N . MET A 1 155 ? -11.503 -15.430 24.630 1.00 45.57 ? 173 MET B N 1 ATOM 1224 C CA . MET A 1 155 ? -11.214 -14.597 23.476 1.00 45.77 ? 173 MET B CA 1 ATOM 1225 C C . MET A 1 155 ? -10.063 -13.679 23.834 1.00 47.71 ? 173 MET B C 1 ATOM 1226 O O . MET A 1 155 ? -10.026 -13.130 24.937 1.00 56.15 ? 173 MET B O 1 ATOM 1227 C CB . MET A 1 155 ? -12.426 -13.765 23.052 1.00 55.09 ? 173 MET B CB 1 ATOM 1228 C CG . MET A 1 155 ? -12.063 -12.584 22.177 1.00 66.99 ? 173 MET B CG 1 ATOM 1229 S SD . MET A 1 155 ? -13.502 -11.628 21.688 1.00 87.86 ? 173 MET B SD 1 ATOM 1230 C CE . MET A 1 155 ? -14.402 -12.819 20.690 1.00 89.60 ? 173 MET B CE 1 ATOM 1231 N N . VAL A 1 156 ? -9.122 -13.514 22.911 1.00 47.80 ? 174 VAL B N 1 ATOM 1232 C CA . VAL A 1 156 ? -7.969 -12.657 23.167 1.00 51.73 ? 174 VAL B CA 1 ATOM 1233 C C . VAL A 1 156 ? -7.513 -12.044 21.852 1.00 55.96 ? 174 VAL B C 1 ATOM 1234 O O . VAL A 1 156 ? -7.366 -12.746 20.848 1.00 64.55 ? 174 VAL B O 1 ATOM 1235 C CB . VAL A 1 156 ? -6.822 -13.432 23.849 1.00 56.92 ? 174 VAL B CB 1 ATOM 1236 C CG1 . VAL A 1 156 ? -6.564 -14.763 23.139 1.00 56.06 ? 174 VAL B CG1 1 ATOM 1237 C CG2 . VAL A 1 156 ? -5.555 -12.580 23.895 1.00 62.96 ? 174 VAL B CG2 1 ATOM 1238 N N . GLU A 1 157 ? -7.289 -10.735 21.856 1.00 50.26 ? 175 GLU B N 1 ATOM 1239 C CA . GLU A 1 157 ? -6.810 -10.025 20.683 1.00 45.47 ? 175 GLU B CA 1 ATOM 1240 C C . GLU A 1 157 ? -5.389 -9.525 20.901 1.00 42.47 ? 175 GLU B C 1 ATOM 1241 O O . GLU A 1 157 ? -4.983 -9.226 22.024 1.00 46.18 ? 175 GLU B O 1 ATOM 1242 C CB . GLU A 1 157 ? -7.727 -8.855 20.336 1.00 48.15 ? 175 GLU B CB 1 ATOM 1243 C CG . GLU A 1 157 ? -8.218 -8.072 21.524 1.00 49.86 ? 175 GLU B CG 1 ATOM 1244 C CD . GLU A 1 157 ? -9.077 -6.903 21.108 1.00 63.05 ? 175 GLU B CD 1 ATOM 1245 O OE1 . GLU A 1 157 ? -8.519 -5.912 20.593 1.00 70.40 ? 175 GLU B OE1 1 ATOM 1246 O OE2 . GLU A 1 157 ? -10.312 -6.987 21.268 1.00 66.58 ? 175 GLU B OE2 1 ATOM 1247 N N . GLU A 1 158 ? -4.634 -9.439 19.810 1.00 44.51 ? 176 GLU B N 1 ATOM 1248 C CA . GLU A 1 158 ? -3.241 -9.031 19.873 1.00 44.80 ? 176 GLU B CA 1 ATOM 1249 C C . GLU A 1 158 ? -2.893 -8.270 18.602 1.00 45.51 ? 176 GLU B C 1 ATOM 1250 O O . GLU A 1 158 ? -3.384 -8.598 17.520 1.00 50.00 ? 176 GLU B O 1 ATOM 1251 C CB . GLU A 1 158 ? -2.317 -10.244 20.044 1.00 52.00 ? 176 GLU B CB 1 ATOM 1252 C CG . GLU A 1 158 ? -0.982 -9.925 20.705 1.00 66.04 ? 176 GLU B CG 1 ATOM 1253 C CD . GLU A 1 158 ? -0.966 -10.235 22.195 1.00 78.20 ? 176 GLU B CD 1 ATOM 1254 O OE1 . GLU A 1 158 ? -1.797 -11.053 22.649 1.00 76.86 ? 176 GLU B OE1 1 ATOM 1255 O OE2 . GLU A 1 158 ? -0.115 -9.664 22.912 1.00 84.47 ? 176 GLU B OE2 1 ATOM 1256 N N . ILE A 1 159 ? -2.060 -7.244 18.736 1.00 44.64 ? 177 ILE B N 1 ATOM 1257 C CA . ILE A 1 159 ? -1.588 -6.527 17.563 1.00 45.81 ? 177 ILE B CA 1 ATOM 1258 C C . ILE A 1 159 ? -0.464 -7.319 16.904 1.00 50.34 ? 177 ILE B C 1 ATOM 1259 O O . ILE A 1 159 ? 0.207 -8.143 17.530 1.00 52.84 ? 177 ILE B O 1 ATOM 1260 C CB . ILE A 1 159 ? -1.139 -5.098 17.917 1.00 50.21 ? 177 ILE B CB 1 ATOM 1261 C CG1 . ILE A 1 159 ? 0.065 -5.127 18.858 1.00 52.77 ? 177 ILE B CG1 1 ATOM 1262 C CG2 . ILE A 1 159 ? -2.285 -4.319 18.550 1.00 45.50 ? 177 ILE B CG2 1 ATOM 1263 C CD1 . ILE A 1 159 ? 0.511 -3.754 19.313 1.00 52.00 ? 177 ILE B CD1 1 ATOM 1264 N N . ASP A 1 160 ? -0.271 -7.074 15.612 1.00 53.11 ? 178 ASP B N 1 ATOM 1265 C CA . ASP A 1 160 ? 0.700 -7.800 14.808 1.00 53.62 ? 178 ASP B CA 1 ATOM 1266 C C . ASP A 1 160 ? 1.767 -6.834 14.317 1.00 61.15 ? 178 ASP B C 1 ATOM 1267 O O . ASP A 1 160 ? 1.451 -5.825 13.678 1.00 67.85 ? 178 ASP B O 1 ATOM 1268 C CB . ASP A 1 160 ? 0.019 -8.494 13.625 1.00 49.46 ? 178 ASP B CB 1 ATOM 1269 C CG . ASP A 1 160 ? 1.004 -9.197 12.712 1.00 47.77 ? 178 ASP B CG 1 ATOM 1270 O OD1 . ASP A 1 160 ? 2.127 -9.502 13.165 1.00 50.89 ? 178 ASP B OD1 1 ATOM 1271 O OD2 . ASP A 1 160 ? 0.652 -9.451 11.541 1.00 43.24 ? 178 ASP B OD2 1 ATOM 1272 N N . HIS A 1 161 ? 3.026 -7.151 14.612 1.00 60.88 ? 179 HIS B N 1 ATOM 1273 C CA . HIS A 1 161 ? 4.156 -6.318 14.223 1.00 60.65 ? 179 HIS B CA 1 ATOM 1274 C C . HIS A 1 161 ? 4.934 -6.878 13.044 1.00 62.12 ? 179 HIS B C 1 ATOM 1275 O O . HIS A 1 161 ? 5.332 -6.121 12.155 1.00 68.10 ? 179 HIS B O 1 ATOM 1276 C CB . HIS A 1 161 ? 5.113 -6.140 15.403 1.00 62.08 ? 179 HIS B CB 1 ATOM 1277 C CG . HIS A 1 161 ? 4.478 -5.531 16.613 1.00 69.01 ? 179 HIS B CG 1 ATOM 1278 N ND1 . HIS A 1 161 ? 4.220 -4.181 16.718 1.00 73.87 ? 179 HIS B ND1 1 ATOM 1279 C CD2 . HIS A 1 161 ? 4.060 -6.085 17.775 1.00 69.15 ? 179 HIS B CD2 1 ATOM 1280 C CE1 . HIS A 1 161 ? 3.667 -3.931 17.891 1.00 72.20 ? 179 HIS B CE1 1 ATOM 1281 N NE2 . HIS A 1 161 ? 3.558 -5.069 18.552 1.00 69.89 ? 179 HIS B NE2 1 ATOM 1282 N N . ILE A 1 162 ? 5.162 -8.189 13.013 1.00 56.74 ? 180 ILE B N 1 ATOM 1283 C CA . ILE A 1 162 ? 6.075 -8.798 12.057 1.00 56.01 ? 180 ILE B CA 1 ATOM 1284 C C . ILE A 1 162 ? 5.399 -9.824 11.164 1.00 55.58 ? 180 ILE B C 1 ATOM 1285 O O . ILE A 1 162 ? 6.069 -10.424 10.319 1.00 57.15 ? 180 ILE B O 1 ATOM 1286 C CB . ILE A 1 162 ? 7.281 -9.437 12.774 1.00 54.80 ? 180 ILE B CB 1 ATOM 1287 C CG1 . ILE A 1 162 ? 6.814 -10.598 13.649 1.00 45.60 ? 180 ILE B CG1 1 ATOM 1288 C CG2 . ILE A 1 162 ? 8.009 -8.405 13.619 1.00 51.13 ? 180 ILE B CG2 1 ATOM 1289 C CD1 . ILE A 1 162 ? 7.943 -11.422 14.188 1.00 46.32 ? 180 ILE B CD1 1 ATOM 1290 N N . GLY A 1 163 ? 4.097 -10.042 11.313 1.00 52.45 ? 181 GLY B N 1 ATOM 1291 C CA . GLY A 1 163 ? 3.431 -11.121 10.625 1.00 47.66 ? 181 GLY B CA 1 ATOM 1292 C C . GLY A 1 163 ? 3.340 -12.401 11.422 1.00 50.53 ? 181 GLY B C 1 ATOM 1293 O O . GLY A 1 163 ? 2.629 -13.325 11.004 1.00 53.18 ? 181 GLY B O 1 ATOM 1294 N N . ILE A 1 164 ? 4.043 -12.488 12.548 1.00 50.76 ? 182 ILE B N 1 ATOM 1295 C CA . ILE A 1 164 ? 3.916 -13.590 13.496 1.00 47.22 ? 182 ILE B CA 1 ATOM 1296 C C . ILE A 1 164 ? 3.299 -13.027 14.768 1.00 45.75 ? 182 ILE B C 1 ATOM 1297 O O . ILE A 1 164 ? 3.837 -12.086 15.361 1.00 49.10 ? 182 ILE B O 1 ATOM 1298 C CB . ILE A 1 164 ? 5.272 -14.251 13.786 1.00 45.47 ? 182 ILE B CB 1 ATOM 1299 C CG1 . ILE A 1 164 ? 5.825 -14.898 12.520 1.00 49.06 ? 182 ILE B CG1 1 ATOM 1300 C CG2 . ILE A 1 164 ? 5.132 -15.298 14.868 1.00 42.87 ? 182 ILE B CG2 1 ATOM 1301 C CD1 . ILE A 1 164 ? 7.171 -15.534 12.720 1.00 53.71 ? 182 ILE B CD1 1 ATOM 1302 N N . ILE A 1 165 ? 2.175 -13.597 15.187 1.00 39.74 ? 183 ILE B N 1 ATOM 1303 C CA . ILE A 1 165 ? 1.423 -13.121 16.343 1.00 42.50 ? 183 ILE B CA 1 ATOM 1304 C C . ILE A 1 165 ? 1.508 -14.183 17.434 1.00 42.81 ? 183 ILE B C 1 ATOM 1305 O O . ILE A 1 165 ? 0.948 -15.277 17.295 1.00 42.66 ? 183 ILE B O 1 ATOM 1306 C CB . ILE A 1 165 ? -0.034 -12.813 15.982 1.00 43.84 ? 183 ILE B CB 1 ATOM 1307 C CG1 . ILE A 1 165 ? -0.088 -12.052 14.659 1.00 43.09 ? 183 ILE B CG1 1 ATOM 1308 C CG2 . ILE A 1 165 ? -0.704 -12.001 17.090 1.00 43.55 ? 183 ILE B CG2 1 ATOM 1309 C CD1 . ILE A 1 165 ? -1.475 -11.893 14.116 1.00 38.17 ? 183 ILE B CD1 1 ATOM 1310 N N . SER A 1 166 ? 2.194 -13.857 18.525 1.00 41.44 ? 184 SER B N 1 ATOM 1311 C CA . SER A 1 166 ? 2.322 -14.762 19.657 1.00 44.04 ? 184 SER B CA 1 ATOM 1312 C C . SER A 1 166 ? 1.230 -14.475 20.679 1.00 47.16 ? 184 SER B C 1 ATOM 1313 O O . SER A 1 166 ? 1.086 -13.339 21.144 1.00 49.21 ? 184 SER B O 1 ATOM 1314 C CB . SER A 1 166 ? 3.702 -14.626 20.297 1.00 41.47 ? 184 SER B CB 1 ATOM 1315 O OG . SER A 1 166 ? 4.701 -15.135 19.430 1.00 55.59 ? 184 SER B OG 1 ATOM 1316 N N . PHE A 1 167 ? 0.473 -15.504 21.032 1.00 43.08 ? 185 PHE B N 1 ATOM 1317 C CA . PHE A 1 167 ? -0.595 -15.388 22.006 1.00 41.92 ? 185 PHE B CA 1 ATOM 1318 C C . PHE A 1 167 ? -0.213 -16.076 23.312 1.00 47.99 ? 185 PHE B C 1 ATOM 1319 O O . PHE A 1 167 ? 0.623 -16.987 23.322 1.00 48.54 ? 185 PHE B O 1 ATOM 1320 C CB . PHE A 1 167 ? -1.891 -16.004 21.464 1.00 38.48 ? 185 PHE B CB 1 ATOM 1321 C CG . PHE A 1 167 ? -2.546 -15.185 20.389 1.00 37.68 ? 185 PHE B CG 1 ATOM 1322 C CD1 . PHE A 1 167 ? -3.518 -14.251 20.708 1.00 37.96 ? 185 PHE B CD1 1 ATOM 1323 C CD2 . PHE A 1 167 ? -2.183 -15.343 19.063 1.00 41.88 ? 185 PHE B CD2 1 ATOM 1324 C CE1 . PHE A 1 167 ? -4.121 -13.492 19.727 1.00 46.73 ? 185 PHE B CE1 1 ATOM 1325 C CE2 . PHE A 1 167 ? -2.783 -14.590 18.073 1.00 44.11 ? 185 PHE B CE2 1 ATOM 1326 C CZ . PHE A 1 167 ? -3.751 -13.661 18.404 1.00 49.37 ? 185 PHE B CZ 1 ATOM 1327 N N . PRO A 1 168 ? -0.795 -15.659 24.437 1.00 51.49 ? 186 PRO B N 1 ATOM 1328 C CA . PRO A 1 168 ? -0.540 -16.371 25.692 1.00 47.86 ? 186 PRO B CA 1 ATOM 1329 C C . PRO A 1 168 ? -1.063 -17.798 25.621 1.00 45.01 ? 186 PRO B C 1 ATOM 1330 O O . PRO A 1 168 ? -2.036 -18.094 24.922 1.00 42.80 ? 186 PRO B O 1 ATOM 1331 C CB . PRO A 1 168 ? -1.299 -15.539 26.735 1.00 49.03 ? 186 PRO B CB 1 ATOM 1332 C CG . PRO A 1 168 ? -2.344 -14.807 25.953 1.00 53.27 ? 186 PRO B CG 1 ATOM 1333 C CD . PRO A 1 168 ? -1.726 -14.530 24.613 1.00 54.29 ? 186 PRO B CD 1 ATOM 1334 N N . ASP A 1 169 ? -0.394 -18.690 26.351 1.00 41.95 ? 187 ASP B N 1 ATOM 1335 C CA . ASP A 1 169 ? -0.756 -20.101 26.326 1.00 40.48 ? 187 ASP B CA 1 ATOM 1336 C C . ASP A 1 169 ? -2.124 -20.320 26.955 1.00 41.34 ? 187 ASP B C 1 ATOM 1337 O O . ASP A 1 169 ? -2.490 -19.662 27.932 1.00 48.99 ? 187 ASP B O 1 ATOM 1338 C CB . ASP A 1 169 ? 0.293 -20.935 27.055 1.00 40.01 ? 187 ASP B CB 1 ATOM 1339 C CG . ASP A 1 169 ? 1.642 -20.882 26.382 1.00 53.75 ? 187 ASP B CG 1 ATOM 1340 O OD1 . ASP A 1 169 ? 1.690 -20.532 25.183 1.00 63.34 ? 187 ASP B OD1 1 ATOM 1341 O OD2 . ASP A 1 169 ? 2.653 -21.195 27.045 1.00 61.80 ? 187 ASP B OD2 1 ATOM 1342 N N . PHE A 1 170 ? -2.886 -21.245 26.377 1.00 38.22 ? 188 PHE B N 1 ATOM 1343 C CA . PHE A 1 170 ? -4.208 -21.585 26.884 1.00 38.10 ? 188 PHE B CA 1 ATOM 1344 C C . PHE A 1 170 ? -4.081 -22.782 27.816 1.00 45.32 ? 188 PHE B C 1 ATOM 1345 O O . PHE A 1 170 ? -3.681 -23.872 27.388 1.00 41.39 ? 188 PHE B O 1 ATOM 1346 C CB . PHE A 1 170 ? -5.182 -21.889 25.749 1.00 38.74 ? 188 PHE B CB 1 ATOM 1347 C CG . PHE A 1 170 ? -6.555 -22.282 26.223 1.00 39.52 ? 188 PHE B CG 1 ATOM 1348 C CD1 . PHE A 1 170 ? -7.484 -21.313 26.568 1.00 38.69 ? 188 PHE B CD1 1 ATOM 1349 C CD2 . PHE A 1 170 ? -6.913 -23.619 26.337 1.00 39.43 ? 188 PHE B CD2 1 ATOM 1350 C CE1 . PHE A 1 170 ? -8.746 -21.667 27.015 1.00 38.90 ? 188 PHE B CE1 1 ATOM 1351 C CE2 . PHE A 1 170 ? -8.176 -23.981 26.784 1.00 38.49 ? 188 PHE B CE2 1 ATOM 1352 C CZ . PHE A 1 170 ? -9.094 -23.002 27.124 1.00 39.26 ? 188 PHE B CZ 1 ATOM 1353 N N . LYS A 1 171 ? -4.415 -22.568 29.087 1.00 51.57 ? 189 LYS B N 1 ATOM 1354 C CA . LYS A 1 171 ? -4.310 -23.598 30.111 1.00 53.86 ? 189 LYS B CA 1 ATOM 1355 C C . LYS A 1 171 ? -5.542 -24.493 30.053 1.00 48.67 ? 189 LYS B C 1 ATOM 1356 O O . LYS A 1 171 ? -6.672 -24.012 30.187 1.00 50.63 ? 189 LYS B O 1 ATOM 1357 C CB . LYS A 1 171 ? -4.169 -22.951 31.488 1.00 61.88 ? 189 LYS B CB 1 ATOM 1358 C CG . LYS A 1 171 ? -4.049 -23.927 32.646 1.00 67.93 ? 189 LYS B CG 1 ATOM 1359 C CD . LYS A 1 171 ? -2.757 -24.719 32.567 1.00 74.94 ? 189 LYS B CD 1 ATOM 1360 C CE . LYS A 1 171 ? -2.462 -25.422 33.882 1.00 81.46 ? 189 LYS B CE 1 ATOM 1361 N NZ . LYS A 1 171 ? -2.254 -24.448 34.989 1.00 87.03 ? 189 LYS B NZ 1 ATOM 1362 N N . ILE A 1 172 ? -5.332 -25.784 29.843 1.00 45.02 ? 190 ILE B N 1 ATOM 1363 C CA . ILE A 1 172 ? -6.447 -26.731 29.860 1.00 45.67 ? 190 ILE B CA 1 ATOM 1364 C C . ILE A 1 172 ? -6.849 -26.981 31.309 1.00 47.74 ? 190 ILE B C 1 ATOM 1365 O O . ILE A 1 172 ? -5.976 -27.266 32.146 1.00 51.54 ? 190 ILE B O 1 ATOM 1366 C CB . ILE A 1 172 ? -6.063 -28.031 29.164 1.00 43.17 ? 190 ILE B CB 1 ATOM 1367 C CG1 . ILE A 1 172 ? -5.499 -27.749 27.767 1.00 43.32 ? 190 ILE B CG1 1 ATOM 1368 C CG2 . ILE A 1 172 ? -7.276 -28.944 29.060 1.00 38.87 ? 190 ILE B CG2 1 ATOM 1369 C CD1 . ILE A 1 172 ? -6.505 -27.157 26.827 1.00 42.72 ? 190 ILE B CD1 1 ATOM 1370 N N . PRO A 1 173 ? -8.134 -26.887 31.649 1.00 50.86 ? 191 PRO B N 1 ATOM 1371 C CA . PRO A 1 173 ? -8.537 -27.050 33.050 1.00 51.69 ? 191 PRO B CA 1 ATOM 1372 C C . PRO A 1 173 ? -8.165 -28.422 33.593 1.00 54.86 ? 191 PRO B C 1 ATOM 1373 O O . PRO A 1 173 ? -7.914 -29.377 32.852 1.00 50.77 ? 191 PRO B O 1 ATOM 1374 C CB . PRO A 1 173 ? -10.054 -26.854 33.011 1.00 51.97 ? 191 PRO B CB 1 ATOM 1375 C CG . PRO A 1 173 ? -10.301 -26.049 31.772 1.00 54.73 ? 191 PRO B CG 1 ATOM 1376 C CD . PRO A 1 173 ? -9.259 -26.487 30.786 1.00 53.43 ? 191 PRO B CD 1 ATOM 1377 N N . SER A 1 174 ? -8.123 -28.496 34.926 1.00 61.08 ? 192 SER B N 1 ATOM 1378 C CA . SER A 1 174 ? -7.770 -29.739 35.602 1.00 59.17 ? 192 SER B CA 1 ATOM 1379 C C . SER A 1 174 ? -8.763 -30.845 35.271 1.00 53.53 ? 192 SER B C 1 ATOM 1380 O O . SER A 1 174 ? -8.374 -32.004 35.085 1.00 52.97 ? 192 SER B O 1 ATOM 1381 C CB . SER A 1 174 ? -7.706 -29.500 37.110 1.00 68.01 ? 192 SER B CB 1 ATOM 1382 O OG . SER A 1 174 ? -7.303 -30.668 37.793 1.00 84.21 ? 192 SER B OG 1 ATOM 1383 N N . ASN A 1 175 ? -10.051 -30.505 35.197 1.00 50.34 ? 193 ASN B N 1 ATOM 1384 C CA . ASN A 1 175 ? -11.115 -31.411 34.771 1.00 50.25 ? 193 ASN B CA 1 ATOM 1385 C C . ASN A 1 175 ? -11.833 -30.745 33.601 1.00 45.98 ? 193 ASN B C 1 ATOM 1386 O O . ASN A 1 175 ? -12.876 -30.100 33.783 1.00 44.74 ? 193 ASN B O 1 ATOM 1387 C CB . ASN A 1 175 ? -12.071 -31.721 35.921 1.00 55.04 ? 193 ASN B CB 1 ATOM 1388 C CG . ASN A 1 175 ? -13.128 -32.739 35.545 1.00 58.56 ? 193 ASN B CG 1 ATOM 1389 O OD1 . ASN A 1 175 ? -13.092 -33.322 34.460 1.00 60.44 ? 193 ASN B OD1 1 ATOM 1390 N ND2 . ASN A 1 175 ? -14.073 -32.967 36.448 1.00 47.61 ? 193 ASN B ND2 1 ATOM 1391 N N . PRO A 1 176 ? -11.305 -30.876 32.387 1.00 46.46 ? 194 PRO B N 1 ATOM 1392 C CA . PRO A 1 176 ? -11.837 -30.099 31.260 1.00 45.82 ? 194 PRO B CA 1 ATOM 1393 C C . PRO A 1 176 ? -12.966 -30.795 30.521 1.00 46.65 ? 194 PRO B C 1 ATOM 1394 O O . PRO A 1 176 ? -13.312 -31.940 30.825 1.00 51.49 ? 194 PRO B O 1 ATOM 1395 C CB . PRO A 1 176 ? -10.611 -29.940 30.358 1.00 45.78 ? 194 PRO B CB 1 ATOM 1396 C CG . PRO A 1 176 ? -9.870 -31.232 30.561 1.00 48.49 ? 194 PRO B CG 1 ATOM 1397 C CD . PRO A 1 176 ? -10.112 -31.651 32.003 1.00 50.05 ? 194 PRO B CD 1 ATOM 1398 N N . ARG A 1 177 ? -13.550 -30.108 29.545 1.00 47.47 ? 195 ARG B N 1 ATOM 1399 C CA . ARG A 1 177 ? -14.475 -30.739 28.610 1.00 50.62 ? 195 ARG B CA 1 ATOM 1400 C C . ARG A 1 177 ? -13.660 -31.501 27.575 1.00 45.19 ? 195 ARG B C 1 ATOM 1401 O O . ARG A 1 177 ? -12.900 -30.897 26.811 1.00 43.15 ? 195 ARG B O 1 ATOM 1402 C CB . ARG A 1 177 ? -15.365 -29.693 27.947 1.00 41.21 ? 195 ARG B CB 1 ATOM 1403 C CG . ARG A 1 177 ? -16.466 -29.182 28.833 1.00 42.37 ? 195 ARG B CG 1 ATOM 1404 C CD . ARG A 1 177 ? -17.203 -28.045 28.177 1.00 42.21 ? 195 ARG B CD 1 ATOM 1405 N NE . ARG A 1 177 ? -18.499 -27.827 28.804 1.00 43.59 ? 195 ARG B NE 1 ATOM 1406 C CZ . ARG A 1 177 ? -19.329 -26.843 28.486 1.00 43.91 ? 195 ARG B CZ 1 ATOM 1407 N NH1 . ARG A 1 177 ? -18.996 -25.974 27.544 1.00 42.87 ? 195 ARG B NH1 1 ATOM 1408 N NH2 . ARG A 1 177 ? -20.491 -26.728 29.112 1.00 45.39 ? 195 ARG B NH2 1 ATOM 1409 N N . TYR A 1 178 ? -13.807 -32.824 27.551 1.00 44.60 ? 196 TYR B N 1 ATOM 1410 C CA . TYR A 1 178 ? -13.045 -33.653 26.624 1.00 45.75 ? 196 TYR B CA 1 ATOM 1411 C C . TYR A 1 178 ? -13.692 -33.661 25.243 1.00 45.61 ? 196 TYR B C 1 ATOM 1412 O O . TYR A 1 178 ? -14.914 -33.576 25.103 1.00 47.59 ? 196 TYR B O 1 ATOM 1413 C CB . TYR A 1 178 ? -12.929 -35.083 27.151 1.00 43.66 ? 196 TYR B CB 1 ATOM 1414 C CG . TYR A 1 178 ? -12.196 -35.203 28.464 1.00 44.40 ? 196 TYR B CG 1 ATOM 1415 C CD1 . TYR A 1 178 ? -10.836 -34.936 28.547 1.00 45.27 ? 196 TYR B CD1 1 ATOM 1416 C CD2 . TYR A 1 178 ? -12.860 -35.598 29.619 1.00 43.24 ? 196 TYR B CD2 1 ATOM 1417 C CE1 . TYR A 1 178 ? -10.162 -35.048 29.746 1.00 48.89 ? 196 TYR B CE1 1 ATOM 1418 C CE2 . TYR A 1 178 ? -12.194 -35.714 30.817 1.00 43.69 ? 196 TYR B CE2 1 ATOM 1419 C CZ . TYR A 1 178 ? -10.846 -35.439 30.876 1.00 47.95 ? 196 TYR B CZ 1 ATOM 1420 O OH . TYR A 1 178 ? -10.179 -35.555 32.071 1.00 51.36 ? 196 TYR B OH 1 ATOM 1421 N N . GLY A 1 179 ? -12.858 -33.767 24.214 1.00 39.59 ? 197 GLY B N 1 ATOM 1422 C CA . GLY A 1 179 ? -13.365 -33.755 22.855 1.00 39.25 ? 197 GLY B CA 1 ATOM 1423 C C . GLY A 1 179 ? -12.637 -32.808 21.925 1.00 38.15 ? 197 GLY B C 1 ATOM 1424 O O . GLY A 1 179 ? -11.464 -32.487 22.146 1.00 39.45 ? 197 GLY B O 1 ATOM 1425 N N . MET A 1 180 ? -13.325 -32.348 20.881 1.00 37.82 ? 198 MET B N 1 ATOM 1426 C CA . MET A 1 180 ? -12.704 -31.554 19.825 1.00 36.90 ? 198 MET B CA 1 ATOM 1427 C C . MET A 1 180 ? -12.897 -30.073 20.123 1.00 36.45 ? 198 MET B C 1 ATOM 1428 O O . MET A 1 180 ? -14.023 -29.570 20.102 1.00 39.70 ? 198 MET B O 1 ATOM 1429 C CB . MET A 1 180 ? -13.295 -31.911 18.462 1.00 40.52 ? 198 MET B CB 1 ATOM 1430 C CG . MET A 1 180 ? -12.607 -31.228 17.295 1.00 45.85 ? 198 MET B CG 1 ATOM 1431 S SD . MET A 1 180 ? -10.941 -31.875 17.049 1.00 58.94 ? 198 MET B SD 1 ATOM 1432 C CE . MET A 1 180 ? -11.307 -33.499 16.384 1.00 61.35 ? 198 MET B CE 1 ATOM 1433 N N . TRP A 1 181 ? -11.801 -29.376 20.390 1.00 35.97 ? 199 TRP B N 1 ATOM 1434 C CA . TRP A 1 181 ? -11.808 -27.935 20.582 1.00 42.32 ? 199 TRP B CA 1 ATOM 1435 C C . TRP A 1 181 ? -11.480 -27.233 19.267 1.00 40.93 ? 199 TRP B C 1 ATOM 1436 O O . TRP A 1 181 ? -10.685 -27.728 18.459 1.00 43.07 ? 199 TRP B O 1 ATOM 1437 C CB . TRP A 1 181 ? -10.798 -27.517 21.654 1.00 41.61 ? 199 TRP B CB 1 ATOM 1438 C CG . TRP A 1 181 ? -11.123 -27.971 23.053 1.00 42.12 ? 199 TRP B CG 1 ATOM 1439 C CD1 . TRP A 1 181 ? -11.232 -29.257 23.496 1.00 43.98 ? 199 TRP B CD1 1 ATOM 1440 C CD2 . TRP A 1 181 ? -11.344 -27.135 24.197 1.00 42.09 ? 199 TRP B CD2 1 ATOM 1441 N NE1 . TRP A 1 181 ? -11.524 -29.273 24.836 1.00 46.09 ? 199 TRP B NE1 1 ATOM 1442 C CE2 . TRP A 1 181 ? -11.597 -27.983 25.290 1.00 45.45 ? 199 TRP B CE2 1 ATOM 1443 C CE3 . TRP A 1 181 ? -11.358 -25.752 24.398 1.00 44.55 ? 199 TRP B CE3 1 ATOM 1444 C CZ2 . TRP A 1 181 ? -11.862 -27.494 26.567 1.00 47.21 ? 199 TRP B CZ2 1 ATOM 1445 C CZ3 . TRP A 1 181 ? -11.622 -25.268 25.665 1.00 43.17 ? 199 TRP B CZ3 1 ATOM 1446 C CH2 . TRP A 1 181 ? -11.870 -26.136 26.734 1.00 45.02 ? 199 TRP B CH2 1 ATOM 1447 N N . THR A 1 182 ? -12.092 -26.064 19.070 1.00 38.35 ? 200 THR B N 1 ATOM 1448 C CA . THR A 1 182 ? -11.885 -25.249 17.879 1.00 39.59 ? 200 THR B CA 1 ATOM 1449 C C . THR A 1 182 ? -11.299 -23.898 18.267 1.00 40.43 ? 200 THR B C 1 ATOM 1450 O O . THR A 1 182 ? -11.795 -23.246 19.192 1.00 44.75 ? 200 THR B O 1 ATOM 1451 C CB . THR A 1 182 ? -13.197 -25.034 17.110 1.00 41.40 ? 200 THR B CB 1 ATOM 1452 O OG1 . THR A 1 182 ? -13.818 -26.295 16.842 1.00 51.13 ? 200 THR B OG1 1 ATOM 1453 C CG2 . THR A 1 182 ? -12.928 -24.338 15.791 1.00 33.81 ? 200 THR B CG2 1 ATOM 1454 N N . ILE A 1 183 ? -10.256 -23.477 17.553 1.00 37.20 ? 201 ILE B N 1 ATOM 1455 C CA . ILE A 1 183 ? -9.701 -22.131 17.657 1.00 39.49 ? 201 ILE B CA 1 ATOM 1456 C C . ILE A 1 183 ? -10.048 -21.374 16.382 1.00 44.47 ? 201 ILE B C 1 ATOM 1457 O O . ILE A 1 183 ? -9.816 -21.875 15.274 1.00 48.05 ? 201 ILE B O 1 ATOM 1458 C CB . ILE A 1 183 ? -8.178 -22.159 17.871 1.00 39.78 ? 201 ILE B CB 1 ATOM 1459 C CG1 . ILE A 1 183 ? -7.823 -22.930 19.137 1.00 34.17 ? 201 ILE B CG1 1 ATOM 1460 C CG2 . ILE A 1 183 ? -7.632 -20.750 17.963 1.00 34.00 ? 201 ILE B CG2 1 ATOM 1461 C CD1 . ILE A 1 183 ? -6.342 -23.056 19.341 1.00 34.34 ? 201 ILE B CD1 1 ATOM 1462 N N . LYS A 1 184 ? -10.592 -20.167 16.536 1.00 45.79 ? 202 LYS B N 1 ATOM 1463 C CA . LYS A 1 184 ? -11.005 -19.332 15.412 1.00 43.26 ? 202 LYS B CA 1 ATOM 1464 C C . LYS A 1 184 ? -10.222 -18.027 15.434 1.00 44.10 ? 202 LYS B C 1 ATOM 1465 O O . LYS A 1 184 ? -10.299 -17.271 16.407 1.00 46.38 ? 202 LYS B O 1 ATOM 1466 C CB . LYS A 1 184 ? -12.506 -19.046 15.461 1.00 46.64 ? 202 LYS B CB 1 ATOM 1467 C CG . LYS A 1 184 ? -13.376 -20.285 15.452 1.00 58.30 ? 202 LYS B CG 1 ATOM 1468 C CD . LYS A 1 184 ? -14.485 -20.173 14.413 1.00 71.07 ? 202 LYS B CD 1 ATOM 1469 C CE . LYS A 1 184 ? -13.921 -20.025 12.999 1.00 79.17 ? 202 LYS B CE 1 ATOM 1470 N NZ . LYS A 1 184 ? -14.987 -19.979 11.951 1.00 82.18 ? 202 LYS B NZ 1 ATOM 1471 N N . ALA A 1 185 ? -9.476 -17.762 14.363 1.00 43.59 ? 203 ALA B N 1 ATOM 1472 C CA . ALA A 1 185 ? -8.769 -16.503 14.187 1.00 42.84 ? 203 ALA B CA 1 ATOM 1473 C C . ALA A 1 185 ? -9.568 -15.580 13.278 1.00 44.21 ? 203 ALA B C 1 ATOM 1474 O O . ALA A 1 185 ? -10.266 -16.024 12.364 1.00 48.02 ? 203 ALA B O 1 ATOM 1475 C CB . ALA A 1 185 ? -7.374 -16.721 13.598 1.00 40.86 ? 203 ALA B CB 1 ATOM 1476 N N . LYS A 1 186 ? -9.456 -14.283 13.534 1.00 42.47 ? 204 LYS B N 1 ATOM 1477 C CA . LYS A 1 186 ? -10.227 -13.316 12.768 1.00 39.20 ? 204 LYS B CA 1 ATOM 1478 C C . LYS A 1 186 ? -9.538 -11.965 12.874 1.00 38.58 ? 204 LYS B C 1 ATOM 1479 O O . LYS A 1 186 ? -8.714 -11.745 13.760 1.00 42.68 ? 204 LYS B O 1 ATOM 1480 C CB . LYS A 1 186 ? -11.668 -13.247 13.277 1.00 41.86 ? 204 LYS B CB 1 ATOM 1481 C CG . LYS A 1 186 ? -12.618 -12.594 12.327 1.00 54.46 ? 204 LYS B CG 1 ATOM 1482 C CD . LYS A 1 186 ? -13.865 -12.151 13.038 1.00 62.04 ? 204 LYS B CD 1 ATOM 1483 C CE . LYS A 1 186 ? -14.583 -11.120 12.203 1.00 69.12 ? 204 LYS B CE 1 ATOM 1484 N NZ . LYS A 1 186 ? -15.830 -10.666 12.854 1.00 75.10 ? 204 LYS B NZ 1 ATOM 1485 N N . TYR A 1 187 ? -9.861 -11.066 11.953 1.00 38.19 ? 205 TYR B N 1 ATOM 1486 C CA . TYR A 1 187 ? -9.372 -9.697 12.053 1.00 39.26 ? 205 TYR B CA 1 ATOM 1487 C C . TYR A 1 187 ? -10.388 -8.856 12.811 1.00 42.31 ? 205 TYR B C 1 ATOM 1488 O O . TYR A 1 187 ? -11.600 -9.039 12.665 1.00 46.78 ? 205 TYR B O 1 ATOM 1489 C CB . TYR A 1 187 ? -9.100 -9.097 10.673 1.00 41.08 ? 205 TYR B CB 1 ATOM 1490 C CG . TYR A 1 187 ? -7.896 -9.700 9.984 1.00 44.49 ? 205 TYR B CG 1 ATOM 1491 C CD1 . TYR A 1 187 ? -6.642 -9.650 10.577 1.00 44.80 ? 205 TYR B CD1 1 ATOM 1492 C CD2 . TYR A 1 187 ? -8.011 -10.319 8.744 1.00 43.96 ? 205 TYR B CD2 1 ATOM 1493 C CE1 . TYR A 1 187 ? -5.535 -10.203 9.959 1.00 46.25 ? 205 TYR B CE1 1 ATOM 1494 C CE2 . TYR A 1 187 ? -6.906 -10.875 8.117 1.00 40.94 ? 205 TYR B CE2 1 ATOM 1495 C CZ . TYR A 1 187 ? -5.672 -10.813 8.731 1.00 44.69 ? 205 TYR B CZ 1 ATOM 1496 O OH . TYR A 1 187 ? -4.564 -11.361 8.124 1.00 44.28 ? 205 TYR B OH 1 ATOM 1497 N N . LYS A 1 188 ? -9.885 -7.944 13.642 1.00 42.88 ? 206 LYS B N 1 ATOM 1498 C CA . LYS A 1 188 ? -10.788 -7.145 14.460 1.00 44.45 ? 206 LYS B CA 1 ATOM 1499 C C . LYS A 1 188 ? -11.528 -6.111 13.629 1.00 45.34 ? 206 LYS B C 1 ATOM 1500 O O . LYS A 1 188 ? -12.654 -5.735 13.973 1.00 49.33 ? 206 LYS B O 1 ATOM 1501 C CB . LYS A 1 188 ? -10.017 -6.462 15.589 1.00 45.18 ? 206 LYS B CB 1 ATOM 1502 C CG . LYS A 1 188 ? -10.903 -5.782 16.613 1.00 45.56 ? 206 LYS B CG 1 ATOM 1503 C CD . LYS A 1 188 ? -10.071 -5.224 17.748 1.00 52.76 ? 206 LYS B CD 1 ATOM 1504 C CE . LYS A 1 188 ? -10.938 -4.511 18.767 1.00 60.00 ? 206 LYS B CE 1 ATOM 1505 N NZ . LYS A 1 188 ? -10.128 -3.835 19.816 1.00 66.30 ? 206 LYS B NZ 1 ATOM 1506 N N . GLU A 1 189 ? -10.929 -5.658 12.532 1.00 49.74 ? 207 GLU B N 1 ATOM 1507 C CA . GLU A 1 189 ? -11.493 -4.589 11.726 1.00 54.88 ? 207 GLU B CA 1 ATOM 1508 C C . GLU A 1 189 ? -11.508 -4.978 10.254 1.00 53.16 ? 207 GLU B C 1 ATOM 1509 O O . GLU A 1 189 ? -10.775 -5.869 9.812 1.00 44.78 ? 207 GLU B O 1 ATOM 1510 C CB . GLU A 1 189 ? -10.697 -3.283 11.895 1.00 66.11 ? 207 GLU B CB 1 ATOM 1511 C CG . GLU A 1 189 ? -10.728 -2.678 13.291 1.00 78.20 ? 207 GLU B CG 1 ATOM 1512 C CD . GLU A 1 189 ? -12.063 -2.045 13.619 1.00 90.72 ? 207 GLU B CD 1 ATOM 1513 O OE1 . GLU A 1 189 ? -12.978 -2.772 14.061 1.00 95.60 ? 207 GLU B OE1 1 ATOM 1514 O OE2 . GLU A 1 189 ? -12.202 -0.819 13.421 1.00 96.05 ? 207 GLU B OE2 1 ATOM 1515 N N . ASP A 1 190 ? -12.395 -4.309 9.511 1.00 54.27 ? 208 ASP B N 1 ATOM 1516 C CA . ASP A 1 190 ? -12.270 -4.113 8.069 1.00 48.21 ? 208 ASP B CA 1 ATOM 1517 C C . ASP A 1 190 ? -12.572 -5.340 7.216 1.00 46.86 ? 208 ASP B C 1 ATOM 1518 O O . ASP A 1 190 ? -13.194 -5.213 6.157 1.00 48.27 ? 208 ASP B O 1 ATOM 1519 C CB . ASP A 1 190 ? -10.865 -3.604 7.736 1.00 46.57 ? 208 ASP B CB 1 ATOM 1520 C CG . ASP A 1 190 ? -10.560 -2.261 8.378 1.00 49.07 ? 208 ASP B CG 1 ATOM 1521 O OD1 . ASP A 1 190 ? -11.502 -1.463 8.578 1.00 48.77 ? 208 ASP B OD1 1 ATOM 1522 O OD2 . ASP A 1 190 ? -9.375 -2.005 8.680 1.00 52.16 ? 208 ASP B OD2 1 ATOM 1523 N N . PHE A 1 191 ? -12.137 -6.521 7.645 1.00 42.65 ? 209 PHE B N 1 ATOM 1524 C CA . PHE A 1 191 ? -12.149 -7.696 6.789 1.00 41.98 ? 209 PHE B CA 1 ATOM 1525 C C . PHE A 1 191 ? -12.942 -8.836 7.409 1.00 41.70 ? 209 PHE B C 1 ATOM 1526 O O . PHE A 1 191 ? -13.224 -8.856 8.608 1.00 45.23 ? 209 PHE B O 1 ATOM 1527 C CB . PHE A 1 191 ? -10.724 -8.158 6.488 1.00 40.48 ? 209 PHE B CB 1 ATOM 1528 C CG . PHE A 1 191 ? -9.871 -7.085 5.895 1.00 40.66 ? 209 PHE B CG 1 ATOM 1529 C CD1 . PHE A 1 191 ? -10.087 -6.655 4.595 1.00 39.83 ? 209 PHE B CD1 1 ATOM 1530 C CD2 . PHE A 1 191 ? -8.870 -6.487 6.638 1.00 38.84 ? 209 PHE B CD2 1 ATOM 1531 C CE1 . PHE A 1 191 ? -9.307 -5.657 4.041 1.00 40.52 ? 209 PHE B CE1 1 ATOM 1532 C CE2 . PHE A 1 191 ? -8.085 -5.487 6.093 1.00 38.82 ? 209 PHE B CE2 1 ATOM 1533 C CZ . PHE A 1 191 ? -8.302 -5.073 4.792 1.00 44.09 ? 209 PHE B CZ 1 ATOM 1534 N N . SER A 1 192 ? -13.299 -9.795 6.559 1.00 39.88 ? 210 SER B N 1 ATOM 1535 C CA . SER A 1 192 ? -14.042 -10.979 6.965 1.00 34.88 ? 210 SER B CA 1 ATOM 1536 C C . SER A 1 192 ? -13.178 -12.232 6.949 1.00 34.18 ? 210 SER B C 1 ATOM 1537 O O . SER A 1 192 ? -13.706 -13.339 7.091 1.00 36.16 ? 210 SER B O 1 ATOM 1538 C CB . SER A 1 192 ? -15.252 -11.175 6.055 1.00 36.35 ? 210 SER B CB 1 ATOM 1539 O OG . SER A 1 192 ? -14.821 -11.490 4.740 1.00 34.47 ? 210 SER B OG 1 ATOM 1540 N N . THR A 1 193 ? -11.869 -12.079 6.768 1.00 34.17 ? 211 THR B N 1 ATOM 1541 C CA . THR A 1 193 ? -10.952 -13.211 6.766 1.00 35.77 ? 211 THR B CA 1 ATOM 1542 C C . THR A 1 193 ? -11.042 -13.988 8.073 1.00 37.54 ? 211 THR B C 1 ATOM 1543 O O . THR A 1 193 ? -11.133 -13.402 9.154 1.00 44.68 ? 211 THR B O 1 ATOM 1544 C CB . THR A 1 193 ? -9.524 -12.709 6.563 1.00 35.97 ? 211 THR B CB 1 ATOM 1545 O OG1 . THR A 1 193 ? -9.538 -11.591 5.664 1.00 39.15 ? 211 THR B OG1 1 ATOM 1546 C CG2 . THR A 1 193 ? -8.641 -13.806 5.998 1.00 34.64 ? 211 THR B CG2 1 ATOM 1547 N N . THR A 1 194 ? -11.012 -15.319 7.972 1.00 36.71 ? 212 THR B N 1 ATOM 1548 C CA . THR A 1 194 ? -11.049 -16.191 9.140 1.00 39.85 ? 212 THR B CA 1 ATOM 1549 C C . THR A 1 194 ? -9.988 -17.278 9.024 1.00 42.43 ? 212 THR B C 1 ATOM 1550 O O . THR A 1 194 ? -9.617 -17.698 7.925 1.00 44.05 ? 212 THR B O 1 ATOM 1551 C CB . THR A 1 194 ? -12.426 -16.861 9.335 1.00 39.83 ? 212 THR B CB 1 ATOM 1552 O OG1 . THR A 1 194 ? -12.643 -17.832 8.304 1.00 46.85 ? 212 THR B OG1 1 ATOM 1553 C CG2 . THR A 1 194 ? -13.547 -15.836 9.298 1.00 40.46 ? 212 THR B CG2 1 ATOM 1554 N N . GLY A 1 195 ? -9.504 -17.723 10.179 1.00 40.99 ? 213 GLY B N 1 ATOM 1555 C CA . GLY A 1 195 ? -8.641 -18.882 10.281 1.00 35.84 ? 213 GLY B CA 1 ATOM 1556 C C . GLY A 1 195 ? -9.259 -19.871 11.246 1.00 38.19 ? 213 GLY B C 1 ATOM 1557 O O . GLY A 1 195 ? -10.052 -19.475 12.105 1.00 40.40 ? 213 GLY B O 1 ATOM 1558 N N . THR A 1 196 ? -8.931 -21.153 11.117 1.00 39.75 ? 214 THR B N 1 ATOM 1559 C CA . THR A 1 196 ? -9.524 -22.167 11.980 1.00 39.20 ? 214 THR B CA 1 ATOM 1560 C C . THR A 1 196 ? -8.521 -23.281 12.229 1.00 40.89 ? 214 THR B C 1 ATOM 1561 O O . THR A 1 196 ? -7.849 -23.739 11.301 1.00 46.56 ? 214 THR B O 1 ATOM 1562 C CB . THR A 1 196 ? -10.809 -22.737 11.368 1.00 37.91 ? 214 THR B CB 1 ATOM 1563 O OG1 . THR A 1 196 ? -11.779 -21.692 11.234 1.00 42.77 ? 214 THR B OG1 1 ATOM 1564 C CG2 . THR A 1 196 ? -11.384 -23.810 12.264 1.00 40.77 ? 214 THR B CG2 1 ATOM 1565 N N . ALA A 1 197 ? -8.418 -23.699 13.487 1.00 41.38 ? 215 ALA B N 1 ATOM 1566 C CA . ALA A 1 197 ? -7.609 -24.844 13.866 1.00 37.91 ? 215 ALA B CA 1 ATOM 1567 C C . ALA A 1 197 ? -8.402 -25.683 14.853 1.00 37.28 ? 215 ALA B C 1 ATOM 1568 O O . ALA A 1 197 ? -9.397 -25.231 15.426 1.00 36.77 ? 215 ALA B O 1 ATOM 1569 C CB . ALA A 1 197 ? -6.269 -24.420 14.474 1.00 39.73 ? 215 ALA B CB 1 ATOM 1570 N N . TYR A 1 198 ? -7.957 -26.919 15.038 1.00 36.77 ? 216 TYR B N 1 ATOM 1571 C CA . TYR A 1 198 ? -8.605 -27.847 15.948 1.00 36.00 ? 216 TYR B CA 1 ATOM 1572 C C . TYR A 1 198 ? -7.554 -28.480 16.842 1.00 35.76 ? 216 TYR B C 1 ATOM 1573 O O . TYR A 1 198 ? -6.396 -28.631 16.442 1.00 37.20 ? 216 TYR B O 1 ATOM 1574 C CB . TYR A 1 198 ? -9.377 -28.926 15.180 1.00 34.26 ? 216 TYR B CB 1 ATOM 1575 C CG . TYR A 1 198 ? -10.490 -28.368 14.316 1.00 34.02 ? 216 TYR B CG 1 ATOM 1576 C CD1 . TYR A 1 198 ? -10.275 -28.061 12.977 1.00 40.31 ? 216 TYR B CD1 1 ATOM 1577 C CD2 . TYR A 1 198 ? -11.753 -28.136 14.843 1.00 34.18 ? 216 TYR B CD2 1 ATOM 1578 C CE1 . TYR A 1 198 ? -11.297 -27.542 12.182 1.00 38.74 ? 216 TYR B CE1 1 ATOM 1579 C CE2 . TYR A 1 198 ? -12.780 -27.619 14.062 1.00 38.95 ? 216 TYR B CE2 1 ATOM 1580 C CZ . TYR A 1 198 ? -12.547 -27.323 12.729 1.00 41.16 ? 216 TYR B CZ 1 ATOM 1581 O OH . TYR A 1 198 ? -13.564 -26.809 11.948 1.00 42.79 ? 216 TYR B OH 1 ATOM 1582 N N . PHE A 1 199 ? -7.958 -28.822 18.068 1.00 35.86 ? 217 PHE B N 1 ATOM 1583 C CA . PHE A 1 199 ? -7.113 -29.635 18.936 1.00 36.16 ? 217 PHE B CA 1 ATOM 1584 C C . PHE A 1 199 ? -8.002 -30.416 19.886 1.00 40.50 ? 217 PHE B C 1 ATOM 1585 O O . PHE A 1 199 ? -8.994 -29.884 20.387 1.00 48.84 ? 217 PHE B O 1 ATOM 1586 C CB . PHE A 1 199 ? -6.090 -28.793 19.716 1.00 35.17 ? 217 PHE B CB 1 ATOM 1587 C CG . PHE A 1 199 ? -6.691 -27.892 20.770 1.00 37.11 ? 217 PHE B CG 1 ATOM 1588 C CD1 . PHE A 1 199 ? -6.795 -28.314 22.089 1.00 35.66 ? 217 PHE B CD1 1 ATOM 1589 C CD2 . PHE A 1 199 ? -7.118 -26.613 20.449 1.00 39.78 ? 217 PHE B CD2 1 ATOM 1590 C CE1 . PHE A 1 199 ? -7.334 -27.486 23.063 1.00 35.95 ? 217 PHE B CE1 1 ATOM 1591 C CE2 . PHE A 1 199 ? -7.658 -25.779 21.420 1.00 40.90 ? 217 PHE B CE2 1 ATOM 1592 C CZ . PHE A 1 199 ? -7.764 -26.219 22.730 1.00 41.66 ? 217 PHE B CZ 1 ATOM 1593 N N . GLU A 1 200 ? -7.647 -31.675 20.126 1.00 38.04 ? 218 GLU B N 1 ATOM 1594 C CA . GLU A 1 200 ? -8.444 -32.542 20.987 1.00 43.51 ? 218 GLU B CA 1 ATOM 1595 C C . GLU A 1 200 ? -7.911 -32.538 22.413 1.00 40.23 ? 218 GLU B C 1 ATOM 1596 O O . GLU A 1 200 ? -6.699 -32.491 22.640 1.00 39.84 ? 218 GLU B O 1 ATOM 1597 C CB . GLU A 1 200 ? -8.454 -33.976 20.459 1.00 48.36 ? 218 GLU B CB 1 ATOM 1598 C CG . GLU A 1 200 ? -8.927 -34.116 19.035 1.00 59.63 ? 218 GLU B CG 1 ATOM 1599 C CD . GLU A 1 200 ? -9.158 -35.558 18.650 1.00 69.79 ? 218 GLU B CD 1 ATOM 1600 O OE1 . GLU A 1 200 ? -10.114 -36.165 19.177 1.00 75.80 ? 218 GLU B OE1 1 ATOM 1601 O OE2 . GLU A 1 200 ? -8.376 -36.090 17.835 1.00 73.65 ? 218 GLU B OE2 1 ATOM 1602 N N . VAL A 1 201 ? -8.826 -32.606 23.375 1.00 37.64 ? 219 VAL B N 1 ATOM 1603 C CA . VAL A 1 201 ? -8.476 -32.822 24.774 1.00 41.73 ? 219 VAL B CA 1 ATOM 1604 C C . VAL A 1 201 ? -9.004 -34.198 25.160 1.00 40.70 ? 219 VAL B C 1 ATOM 1605 O O . VAL A 1 201 ? -10.221 -34.427 25.177 1.00 39.48 ? 219 VAL B O 1 ATOM 1606 C CB . VAL A 1 201 ? -9.029 -31.722 25.688 1.00 38.21 ? 219 VAL B CB 1 ATOM 1607 C CG1 . VAL A 1 201 ? -8.720 -32.046 27.142 1.00 38.94 ? 219 VAL B CG1 1 ATOM 1608 C CG2 . VAL A 1 201 ? -8.422 -30.380 25.315 1.00 37.50 ? 219 VAL B CG2 1 ATOM 1609 N N . LYS A 1 202 ? -8.093 -35.118 25.451 1.00 41.29 ? 220 LYS B N 1 ATOM 1610 C CA . LYS A 1 202 ? -8.438 -36.495 25.761 1.00 49.34 ? 220 LYS B CA 1 ATOM 1611 C C . LYS A 1 202 ? -7.997 -36.828 27.177 1.00 52.61 ? 220 LYS B C 1 ATOM 1612 O O . LYS A 1 202 ? -6.994 -36.305 27.674 1.00 51.82 ? 220 LYS B O 1 ATOM 1613 C CB . LYS A 1 202 ? -7.786 -37.474 24.775 1.00 54.99 ? 220 LYS B CB 1 ATOM 1614 C CG . LYS A 1 202 ? -8.281 -37.354 23.343 1.00 61.73 ? 220 LYS B CG 1 ATOM 1615 C CD . LYS A 1 202 ? -7.548 -38.334 22.434 1.00 70.71 ? 220 LYS B CD 1 ATOM 1616 C CE . LYS A 1 202 ? -8.041 -38.256 20.994 1.00 73.22 ? 220 LYS B CE 1 ATOM 1617 N NZ . LYS A 1 202 ? -9.483 -38.611 20.876 1.00 75.40 ? 220 LYS B NZ 1 ATOM 1618 N N . GLU A 1 203 ? -8.757 -37.711 27.818 1.00 54.10 ? 221 GLU B N 1 ATOM 1619 C CA . GLU A 1 203 ? -8.465 -38.133 29.181 1.00 52.98 ? 221 GLU B CA 1 ATOM 1620 C C . GLU A 1 203 ? -7.418 -39.239 29.172 1.00 50.75 ? 221 GLU B C 1 ATOM 1621 O O . GLU A 1 203 ? -7.551 -40.225 28.440 1.00 53.68 ? 221 GLU B O 1 ATOM 1622 C CB . GLU A 1 203 ? -9.746 -38.613 29.860 1.00 58.79 ? 221 GLU B CB 1 ATOM 1623 C CG . GLU A 1 203 ? -9.552 -39.200 31.240 1.00 63.98 ? 221 GLU B CG 1 ATOM 1624 C CD . GLU A 1 203 ? -10.857 -39.656 31.855 1.00 68.61 ? 221 GLU B CD 1 ATOM 1625 O OE1 . GLU A 1 203 ? -11.903 -39.551 31.177 1.00 64.50 ? 221 GLU B OE1 1 ATOM 1626 O OE2 . GLU A 1 203 ? -10.835 -40.119 33.015 1.00 76.69 ? 221 GLU B OE2 1 ATOM 1627 N N . TYR A 1 204 ? -6.376 -39.081 29.982 1.00 45.91 ? 222 TYR B N 1 ATOM 1628 C CA . TYR A 1 204 ? -5.344 -40.102 30.061 1.00 51.92 ? 222 TYR B CA 1 ATOM 1629 C C . TYR A 1 204 ? -5.843 -41.291 30.871 1.00 54.00 ? 222 TYR B C 1 ATOM 1630 O O . TYR A 1 204 ? -6.438 -41.120 31.938 1.00 54.16 ? 222 TYR B O 1 ATOM 1631 C CB . TYR A 1 204 ? -4.067 -39.545 30.685 1.00 55.27 ? 222 TYR B CB 1 ATOM 1632 C CG . TYR A 1 204 ? -2.945 -40.559 30.727 1.00 59.64 ? 222 TYR B CG 1 ATOM 1633 C CD1 . TYR A 1 204 ? -2.105 -40.740 29.636 1.00 63.75 ? 222 TYR B CD1 1 ATOM 1634 C CD2 . TYR A 1 204 ? -2.735 -41.347 31.851 1.00 60.03 ? 222 TYR B CD2 1 ATOM 1635 C CE1 . TYR A 1 204 ? -1.080 -41.672 29.665 1.00 67.43 ? 222 TYR B CE1 1 ATOM 1636 C CE2 . TYR A 1 204 ? -1.716 -42.284 31.890 1.00 66.01 ? 222 TYR B CE2 1 ATOM 1637 C CZ . TYR A 1 204 ? -0.890 -42.442 30.797 1.00 70.48 ? 222 TYR B CZ 1 ATOM 1638 O OH . TYR A 1 204 ? 0.126 -43.374 30.839 1.00 71.74 ? 222 TYR B OH 1 ATOM 1639 N N . VAL A 1 205 ? -5.601 -42.496 30.360 1.00 55.93 ? 223 VAL B N 1 ATOM 1640 C CA . VAL A 1 205 ? -5.900 -43.736 31.067 1.00 55.44 ? 223 VAL B CA 1 ATOM 1641 C C . VAL A 1 205 ? -4.657 -44.613 31.026 1.00 60.60 ? 223 VAL B C 1 ATOM 1642 O O . VAL A 1 205 ? -4.078 -44.824 29.954 1.00 63.19 ? 223 VAL B O 1 ATOM 1643 C CB . VAL A 1 205 ? -7.104 -44.478 30.458 1.00 55.09 ? 223 VAL B CB 1 ATOM 1644 C CG1 . VAL A 1 205 ? -7.459 -45.687 31.308 1.00 53.89 ? 223 VAL B CG1 1 ATOM 1645 C CG2 . VAL A 1 205 ? -8.302 -43.546 30.321 1.00 47.95 ? 223 VAL B CG2 1 ATOM 1646 N N . LEU A 1 206 ? -4.251 -45.119 32.182 1.00 66.13 ? 224 LEU B N 1 ATOM 1647 C CA . LEU A 1 206 ? -3.045 -45.938 32.264 1.00 69.14 ? 224 LEU B CA 1 ATOM 1648 C C . LEU A 1 206 ? -3.255 -47.262 31.540 1.00 66.61 ? 224 LEU B C 1 ATOM 1649 O O . LEU A 1 206 ? -4.180 -48.007 31.889 1.00 64.47 ? 224 LEU B O 1 ATOM 1650 C CB . LEU A 1 206 ? -2.672 -46.185 33.721 1.00 78.83 ? 224 LEU B CB 1 ATOM 1651 C CG . LEU A 1 206 ? -1.428 -47.044 33.944 1.00 85.76 ? 224 LEU B CG 1 ATOM 1652 C CD1 . LEU A 1 206 ? -0.192 -46.340 33.403 1.00 85.57 ? 224 LEU B CD1 1 ATOM 1653 C CD2 . LEU A 1 206 ? -1.265 -47.381 35.418 1.00 90.68 ? 224 LEU B CD2 1 ATOM 1654 N N . PRO A 1 207 ? -2.448 -47.588 30.532 1.00 67.44 ? 225 PRO B N 1 ATOM 1655 C CA . PRO A 1 207 ? -2.584 -48.873 29.842 1.00 65.26 ? 225 PRO B CA 1 ATOM 1656 C C . PRO A 1 207 ? -1.795 -49.980 30.522 1.00 65.01 ? 225 PRO B C 1 ATOM 1657 O O . PRO A 1 207 ? -0.709 -49.771 31.064 1.00 64.22 ? 225 PRO B O 1 ATOM 1658 C CB . PRO A 1 207 ? -2.001 -48.570 28.455 1.00 64.71 ? 225 PRO B CB 1 ATOM 1659 C CG . PRO A 1 207 ? -0.930 -47.566 28.742 1.00 64.72 ? 225 PRO B CG 1 ATOM 1660 C CD . PRO A 1 207 ? -1.435 -46.724 29.897 1.00 66.11 ? 225 PRO B CD 1 ATOM 1661 N N . HIS A 1 208 ? -2.359 -51.189 30.474 1.00 65.68 ? 226 HIS B N 1 ATOM 1662 C CA . HIS A 1 208 ? -1.683 -52.333 31.079 1.00 70.65 ? 226 HIS B CA 1 ATOM 1663 C C . HIS A 1 208 ? -0.592 -52.887 30.171 1.00 73.98 ? 226 HIS B C 1 ATOM 1664 O O . HIS A 1 208 ? 0.500 -53.222 30.643 1.00 74.46 ? 226 HIS B O 1 ATOM 1665 C CB . HIS A 1 208 ? -2.698 -53.424 31.417 1.00 74.81 ? 226 HIS B CB 1 ATOM 1666 C CG . HIS A 1 208 ? -3.856 -52.934 32.226 1.00 77.71 ? 226 HIS B CG 1 ATOM 1667 N ND1 . HIS A 1 208 ? -3.741 -52.590 33.555 1.00 80.05 ? 226 HIS B ND1 1 ATOM 1668 C CD2 . HIS A 1 208 ? -5.150 -52.722 31.891 1.00 76.45 ? 226 HIS B CD2 1 ATOM 1669 C CE1 . HIS A 1 208 ? -4.916 -52.190 34.006 1.00 80.34 ? 226 HIS B CE1 1 ATOM 1670 N NE2 . HIS A 1 208 ? -5.789 -52.261 33.016 1.00 78.39 ? 226 HIS B NE2 1 ATOM 1671 N N . PHE A 1 209 ? -0.870 -52.992 28.873 1.00 76.10 ? 227 PHE B N 1 ATOM 1672 C CA . PHE A 1 209 ? 0.104 -53.462 27.897 1.00 72.05 ? 227 PHE B CA 1 ATOM 1673 C C . PHE A 1 209 ? -0.202 -52.802 26.557 1.00 66.31 ? 227 PHE B C 1 ATOM 1674 O O . PHE A 1 209 ? -1.180 -52.062 26.417 1.00 58.42 ? 227 PHE B O 1 ATOM 1675 C CB . PHE A 1 209 ? 0.099 -54.993 27.810 1.00 71.84 ? 227 PHE B CB 1 ATOM 1676 C CG . PHE A 1 209 ? -1.274 -55.594 27.681 1.00 69.73 ? 227 PHE B CG 1 ATOM 1677 C CD1 . PHE A 1 209 ? -2.011 -55.923 28.806 1.00 69.08 ? 227 PHE B CD1 1 ATOM 1678 C CD2 . PHE A 1 209 ? -1.822 -55.839 26.434 1.00 71.08 ? 227 PHE B CD2 1 ATOM 1679 C CE1 . PHE A 1 209 ? -3.272 -56.479 28.690 1.00 70.32 ? 227 PHE B CE1 1 ATOM 1680 C CE2 . PHE A 1 209 ? -3.082 -56.396 26.312 1.00 72.27 ? 227 PHE B CE2 1 ATOM 1681 C CZ . PHE A 1 209 ? -3.807 -56.715 27.441 1.00 71.98 ? 227 PHE B CZ 1 ATOM 1682 N N . SER A 1 210 ? 0.650 -53.064 25.568 1.00 73.99 ? 228 SER B N 1 ATOM 1683 C CA . SER A 1 210 ? 0.519 -52.469 24.242 1.00 77.51 ? 228 SER B CA 1 ATOM 1684 C C . SER A 1 210 ? -0.024 -53.497 23.259 1.00 78.51 ? 228 SER B C 1 ATOM 1685 O O . SER A 1 210 ? 0.455 -54.637 23.212 1.00 81.92 ? 228 SER B O 1 ATOM 1686 C CB . SER A 1 210 ? 1.858 -51.923 23.743 1.00 84.12 ? 228 SER B CB 1 ATOM 1687 O OG . SER A 1 210 ? 2.820 -52.956 23.617 1.00 92.45 ? 228 SER B OG 1 ATOM 1688 N N . VAL A 1 211 ? -1.017 -53.085 22.475 1.00 75.00 ? 229 VAL B N 1 ATOM 1689 C CA . VAL A 1 211 ? -1.666 -53.931 21.482 1.00 72.93 ? 229 VAL B CA 1 ATOM 1690 C C . VAL A 1 211 ? -1.507 -53.275 20.118 1.00 68.86 ? 229 VAL B C 1 ATOM 1691 O O . VAL A 1 211 ? -1.844 -52.100 19.946 1.00 57.19 ? 229 VAL B O 1 ATOM 1692 C CB . VAL A 1 211 ? -3.155 -54.151 21.806 1.00 70.10 ? 229 VAL B CB 1 ATOM 1693 C CG1 . VAL A 1 211 ? -3.783 -55.056 20.776 1.00 61.48 ? 229 VAL B CG1 1 ATOM 1694 C CG2 . VAL A 1 211 ? -3.312 -54.744 23.185 1.00 71.68 ? 229 VAL B CG2 1 ATOM 1695 N N . SER A 1 212 ? -1.009 -54.038 19.153 1.00 70.26 ? 230 SER B N 1 ATOM 1696 C CA . SER A 1 212 ? -0.770 -53.572 17.797 1.00 68.07 ? 230 SER B CA 1 ATOM 1697 C C . SER A 1 212 ? -1.506 -54.470 16.811 1.00 70.17 ? 230 SER B C 1 ATOM 1698 O O . SER A 1 212 ? -1.544 -55.693 16.984 1.00 71.45 ? 230 SER B O 1 ATOM 1699 C CB . SER A 1 212 ? 0.735 -53.561 17.497 1.00 70.75 ? 230 SER B CB 1 ATOM 1700 O OG . SER A 1 212 ? 0.996 -53.333 16.126 1.00 76.76 ? 230 SER B OG 1 ATOM 1701 N N . ILE A 1 213 ? -2.098 -53.861 15.783 1.00 72.11 ? 231 ILE B N 1 ATOM 1702 C CA . ILE A 1 213 ? -2.761 -54.582 14.698 1.00 73.61 ? 231 ILE B CA 1 ATOM 1703 C C . ILE A 1 213 ? -2.026 -54.281 13.398 1.00 72.60 ? 231 ILE B C 1 ATOM 1704 O O . ILE A 1 213 ? -1.774 -53.114 13.076 1.00 70.79 ? 231 ILE B O 1 ATOM 1705 C CB . ILE A 1 213 ? -4.247 -54.202 14.571 1.00 69.89 ? 231 ILE B CB 1 ATOM 1706 C CG1 . ILE A 1 213 ? -4.903 -54.129 15.943 1.00 60.53 ? 231 ILE B CG1 1 ATOM 1707 C CG2 . ILE A 1 213 ? -4.982 -55.220 13.718 1.00 63.04 ? 231 ILE B CG2 1 ATOM 1708 C CD1 . ILE A 1 213 ? -6.318 -53.619 15.899 1.00 59.53 ? 231 ILE B CD1 1 ATOM 1709 N N . GLU A 1 214 ? -1.702 -55.328 12.649 1.00 73.03 ? 232 GLU B N 1 ATOM 1710 C CA . GLU A 1 214 ? -0.994 -55.203 11.377 1.00 74.89 ? 232 GLU B CA 1 ATOM 1711 C C . GLU A 1 214 ? -1.788 -55.918 10.293 1.00 72.82 ? 232 GLU B C 1 ATOM 1712 O O . GLU A 1 214 ? -1.793 -57.166 10.256 1.00 75.74 ? 232 GLU B O 1 ATOM 1713 C CB . GLU A 1 214 ? 0.419 -55.773 11.472 1.00 81.76 ? 232 GLU B CB 1 ATOM 1714 C CG . GLU A 1 214 ? 1.315 -55.054 12.466 1.00 86.69 ? 232 GLU B CG 1 ATOM 1715 C CD . GLU A 1 214 ? 2.713 -55.642 12.523 1.00 94.98 ? 232 GLU B CD 1 ATOM 1716 O OE1 . GLU A 1 214 ? 2.948 -56.696 11.893 1.00 98.96 ? 232 GLU B OE1 1 ATOM 1717 O OE2 . GLU A 1 214 ? 3.578 -55.048 13.199 1.00 96.56 ? 232 GLU B OE2 1 ATOM 1718 N N . PRO A 1 215 ? -2.467 -55.193 9.412 1.00 70.34 ? 233 PRO B N 1 ATOM 1719 C CA . PRO A 1 215 ? -3.155 -55.836 8.292 1.00 66.95 ? 233 PRO B CA 1 ATOM 1720 C C . PRO A 1 215 ? -2.177 -56.230 7.195 1.00 75.88 ? 233 PRO B C 1 ATOM 1721 O O . PRO A 1 215 ? -1.043 -55.752 7.129 1.00 76.49 ? 233 PRO B O 1 ATOM 1722 C CB . PRO A 1 215 ? -4.119 -54.752 7.806 1.00 64.85 ? 233 PRO B CB 1 ATOM 1723 C CG . PRO A 1 215 ? -3.418 -53.478 8.138 1.00 62.61 ? 233 PRO B CG 1 ATOM 1724 C CD . PRO A 1 215 ? -2.675 -53.734 9.425 1.00 62.71 ? 233 PRO B CD 1 ATOM 1725 N N . GLU A 1 216 ? -2.645 -57.124 6.321 1.00 76.99 ? 234 GLU B N 1 ATOM 1726 C CA . GLU A 1 216 ? -1.809 -57.574 5.213 1.00 77.59 ? 234 GLU B CA 1 ATOM 1727 C C . GLU A 1 216 ? -1.470 -56.421 4.275 1.00 78.46 ? 234 GLU B C 1 ATOM 1728 O O . GLU A 1 216 ? -0.318 -56.276 3.850 1.00 80.65 ? 234 GLU B O 1 ATOM 1729 C CB . GLU A 1 216 ? -2.507 -58.705 4.456 1.00 81.12 ? 234 GLU B CB 1 ATOM 1730 C CG . GLU A 1 216 ? -1.575 -59.553 3.600 1.00 86.83 ? 234 GLU B CG 1 ATOM 1731 C CD . GLU A 1 216 ? -2.283 -60.733 2.954 1.00 91.74 ? 234 GLU B CD 1 ATOM 1732 O OE1 . GLU A 1 216 ? -3.468 -60.970 3.272 1.00 90.33 ? 234 GLU B OE1 1 ATOM 1733 O OE2 . GLU A 1 216 ? -1.654 -61.425 2.126 1.00 96.02 ? 234 GLU B OE2 1 ATOM 1734 N N . TYR A 1 217 ? -2.455 -55.587 3.949 1.00 78.18 ? 235 TYR B N 1 ATOM 1735 C CA . TYR A 1 217 ? -2.235 -54.413 3.118 1.00 80.90 ? 235 TYR B CA 1 ATOM 1736 C C . TYR A 1 217 ? -3.074 -53.262 3.653 1.00 79.65 ? 235 TYR B C 1 ATOM 1737 O O . TYR A 1 217 ? -3.983 -53.455 4.463 1.00 78.15 ? 235 TYR B O 1 ATOM 1738 C CB . TYR A 1 217 ? -2.587 -54.678 1.648 1.00 69.18 ? 235 TYR B CB 1 ATOM 1739 C CG . TYR A 1 217 ? -1.938 -55.914 1.073 1.00 72.37 ? 235 TYR B CG 1 ATOM 1740 C CD1 . TYR A 1 217 ? -0.607 -55.906 0.683 1.00 73.44 ? 235 TYR B CD1 1 ATOM 1741 C CD2 . TYR A 1 217 ? -2.659 -57.089 0.916 1.00 74.50 ? 235 TYR B CD2 1 ATOM 1742 C CE1 . TYR A 1 217 ? -0.010 -57.035 0.157 1.00 76.55 ? 235 TYR B CE1 1 ATOM 1743 C CE2 . TYR A 1 217 ? -2.073 -58.223 0.390 1.00 77.60 ? 235 TYR B CE2 1 ATOM 1744 C CZ . TYR A 1 217 ? -0.748 -58.192 0.013 1.00 88.49 ? 235 TYR B CZ 1 ATOM 1745 O OH . TYR A 1 217 ? -0.159 -59.321 -0.512 1.00 91.63 ? 235 TYR B OH 1 ATOM 1746 N N . ASN A 1 218 ? -2.753 -52.051 3.191 1.00 80.29 ? 236 ASN B N 1 ATOM 1747 C CA . ASN A 1 218 ? -3.535 -50.873 3.549 1.00 77.20 ? 236 ASN B CA 1 ATOM 1748 C C . ASN A 1 218 ? -4.815 -50.746 2.734 1.00 73.37 ? 236 ASN B C 1 ATOM 1749 O O . ASN A 1 218 ? -5.657 -49.901 3.056 1.00 70.86 ? 236 ASN B O 1 ATOM 1750 C CB . ASN A 1 218 ? -2.694 -49.606 3.379 1.00 79.93 ? 236 ASN B CB 1 ATOM 1751 C CG . ASN A 1 218 ? -1.520 -49.556 4.335 1.00 88.17 ? 236 ASN B CG 1 ATOM 1752 O OD1 . ASN A 1 218 ? -1.565 -50.129 5.423 1.00 91.72 ? 236 ASN B OD1 1 ATOM 1753 N ND2 . ASN A 1 218 ? -0.459 -48.866 3.932 1.00 91.71 ? 236 ASN B ND2 1 ATOM 1754 N N . PHE A 1 219 ? -4.972 -51.559 1.693 1.00 74.69 ? 237 PHE B N 1 ATOM 1755 C CA . PHE A 1 219 ? -6.168 -51.567 0.868 1.00 75.89 ? 237 PHE B CA 1 ATOM 1756 C C . PHE A 1 219 ? -6.544 -53.013 0.593 1.00 81.79 ? 237 PHE B C 1 ATOM 1757 O O . PHE A 1 219 ? -5.713 -53.918 0.694 1.00 84.87 ? 237 PHE B O 1 ATOM 1758 C CB . PHE A 1 219 ? -5.952 -50.804 -0.446 1.00 73.23 ? 237 PHE B CB 1 ATOM 1759 C CG . PHE A 1 219 ? -5.342 -49.446 -0.261 1.00 71.16 ? 237 PHE B CG 1 ATOM 1760 C CD1 . PHE A 1 219 ? -6.142 -48.338 -0.032 1.00 70.60 ? 237 PHE B CD1 1 ATOM 1761 C CD2 . PHE A 1 219 ? -3.967 -49.278 -0.305 1.00 70.40 ? 237 PHE B CD2 1 ATOM 1762 C CE1 . PHE A 1 219 ? -5.582 -47.085 0.144 1.00 68.29 ? 237 PHE B CE1 1 ATOM 1763 C CE2 . PHE A 1 219 ? -3.399 -48.028 -0.128 1.00 67.67 ? 237 PHE B CE2 1 ATOM 1764 C CZ . PHE A 1 219 ? -4.208 -46.929 0.095 1.00 67.09 ? 237 PHE B CZ 1 ATOM 1765 N N . ILE A 1 220 ? -7.810 -53.226 0.247 1.00 84.32 ? 238 ILE B N 1 ATOM 1766 C CA . ILE A 1 220 ? -8.335 -54.559 -0.025 1.00 89.26 ? 238 ILE B CA 1 ATOM 1767 C C . ILE A 1 220 ? -8.756 -54.598 -1.485 1.00 99.38 ? 238 ILE B C 1 ATOM 1768 O O . ILE A 1 220 ? -9.739 -53.953 -1.872 1.00 99.28 ? 238 ILE B O 1 ATOM 1769 C CB . ILE A 1 220 ? -9.500 -54.922 0.903 1.00 82.29 ? 238 ILE B CB 1 ATOM 1770 C CG1 . ILE A 1 220 ? -9.048 -54.844 2.362 1.00 82.83 ? 238 ILE B CG1 1 ATOM 1771 C CG2 . ILE A 1 220 ? -10.015 -56.319 0.598 1.00 78.56 ? 238 ILE B CG2 1 ATOM 1772 C CD1 . ILE A 1 220 ? -10.134 -55.165 3.352 1.00 86.25 ? 238 ILE B CD1 1 ATOM 1773 N N . GLY A 1 221 ? -8.011 -55.349 -2.298 1.00 106.42 ? 239 GLY B N 1 ATOM 1774 C CA . GLY A 1 221 ? -8.302 -55.496 -3.706 1.00 107.04 ? 239 GLY B CA 1 ATOM 1775 C C . GLY A 1 221 ? -9.045 -56.784 -4.013 1.00 110.39 ? 239 GLY B C 1 ATOM 1776 O O . GLY A 1 221 ? -9.545 -57.483 -3.130 1.00 114.45 ? 239 GLY B O 1 ATOM 1777 N N . TYR A 1 222 ? -9.112 -57.099 -5.308 1.00 106.83 ? 240 TYR B N 1 ATOM 1778 C CA . TYR A 1 222 ? -9.824 -58.298 -5.737 1.00 102.21 ? 240 TYR B CA 1 ATOM 1779 C C . TYR A 1 222 ? -9.084 -59.566 -5.332 1.00 98.93 ? 240 TYR B C 1 ATOM 1780 O O . TYR A 1 222 ? -9.707 -60.623 -5.173 1.00 100.43 ? 240 TYR B O 1 ATOM 1781 C CB . TYR A 1 222 ? -10.046 -58.271 -7.252 1.00 102.17 ? 240 TYR B CB 1 ATOM 1782 C CG . TYR A 1 222 ? -8.769 -58.382 -8.055 1.00 83.15 ? 240 TYR B CG 1 ATOM 1783 C CD1 . TYR A 1 222 ? -7.907 -57.300 -8.178 1.00 82.51 ? 240 TYR B CD1 1 ATOM 1784 C CD2 . TYR A 1 222 ? -8.424 -59.568 -8.690 1.00 86.62 ? 240 TYR B CD2 1 ATOM 1785 C CE1 . TYR A 1 222 ? -6.736 -57.397 -8.905 1.00 82.45 ? 240 TYR B CE1 1 ATOM 1786 C CE2 . TYR A 1 222 ? -7.254 -59.672 -9.423 1.00 88.01 ? 240 TYR B CE2 1 ATOM 1787 C CZ . TYR A 1 222 ? -6.414 -58.583 -9.527 1.00 85.92 ? 240 TYR B CZ 1 ATOM 1788 O OH . TYR A 1 222 ? -5.248 -58.676 -10.253 1.00 87.46 ? 240 TYR B OH 1 ATOM 1789 N N . LYS A 1 223 ? -7.763 -59.481 -5.157 1.00 95.20 ? 241 LYS B N 1 ATOM 1790 C CA . LYS A 1 223 ? -6.987 -60.662 -4.793 1.00 96.35 ? 241 LYS B CA 1 ATOM 1791 C C . LYS A 1 223 ? -7.183 -61.034 -3.329 1.00 94.99 ? 241 LYS B C 1 ATOM 1792 O O . LYS A 1 223 ? -7.153 -62.220 -2.979 1.00 94.48 ? 241 LYS B O 1 ATOM 1793 C CB . LYS A 1 223 ? -5.508 -60.419 -5.094 1.00 95.33 ? 241 LYS B CB 1 ATOM 1794 C CG . LYS A 1 223 ? -5.243 -59.958 -6.521 1.00 93.52 ? 241 LYS B CG 1 ATOM 1795 C CD . LYS A 1 223 ? -4.226 -58.829 -6.559 1.00 91.13 ? 241 LYS B CD 1 ATOM 1796 C CE . LYS A 1 223 ? -2.841 -59.318 -6.181 1.00 92.24 ? 241 LYS B CE 1 ATOM 1797 N NZ . LYS A 1 223 ? -2.313 -60.276 -7.190 1.00 96.72 ? 241 LYS B NZ 1 ATOM 1798 N N . ASN A 1 224 ? -7.395 -60.043 -2.465 1.00 92.20 ? 242 ASN B N 1 ATOM 1799 C CA . ASN A 1 224 ? -7.608 -60.277 -1.045 1.00 94.12 ? 242 ASN B CA 1 ATOM 1800 C C . ASN A 1 224 ? -9.072 -60.127 -0.647 1.00 89.84 ? 242 ASN B C 1 ATOM 1801 O O . ASN A 1 224 ? -9.376 -59.965 0.542 1.00 90.83 ? 242 ASN B O 1 ATOM 1802 C CB . ASN A 1 224 ? -6.722 -59.337 -0.228 1.00 89.04 ? 242 ASN B CB 1 ATOM 1803 C CG . ASN A 1 224 ? -5.248 -59.511 -0.546 1.00 91.97 ? 242 ASN B CG 1 ATOM 1804 O OD1 . ASN A 1 224 ? -4.558 -60.314 0.081 1.00 97.18 ? 242 ASN B OD1 1 ATOM 1805 N ND2 . ASN A 1 224 ? -4.762 -58.766 -1.533 1.00 91.08 ? 242 ASN B ND2 1 ATOM 1806 N N . PHE A 1 225 ? -9.986 -60.182 -1.619 1.00 92.33 ? 243 PHE B N 1 ATOM 1807 C CA . PHE A 1 225 ? -11.406 -60.100 -1.310 1.00 80.76 ? 243 PHE B CA 1 ATOM 1808 C C . PHE A 1 225 ? -11.937 -61.392 -0.703 1.00 89.49 ? 243 PHE B C 1 ATOM 1809 O O . PHE A 1 225 ? -13.000 -61.374 -0.074 1.00 89.42 ? 243 PHE B O 1 ATOM 1810 C CB . PHE A 1 225 ? -12.191 -59.740 -2.572 1.00 90.64 ? 243 PHE B CB 1 ATOM 1811 C CG . PHE A 1 225 ? -13.663 -59.525 -2.335 1.00 91.76 ? 243 PHE B CG 1 ATOM 1812 C CD1 . PHE A 1 225 ? -14.108 -58.469 -1.556 1.00 88.53 ? 243 PHE B CD1 1 ATOM 1813 C CD2 . PHE A 1 225 ? -14.602 -60.371 -2.906 1.00 93.49 ? 243 PHE B CD2 1 ATOM 1814 C CE1 . PHE A 1 225 ? -15.461 -58.266 -1.341 1.00 86.90 ? 243 PHE B CE1 1 ATOM 1815 C CE2 . PHE A 1 225 ? -15.957 -60.172 -2.695 1.00 92.75 ? 243 PHE B CE2 1 ATOM 1816 C CZ . PHE A 1 225 ? -16.386 -59.119 -1.912 1.00 88.65 ? 243 PHE B CZ 1 ATOM 1817 N N . LYS A 1 226 ? -11.223 -62.507 -0.870 1.00 86.06 ? 244 LYS B N 1 ATOM 1818 C CA . LYS A 1 226 ? -11.603 -63.761 -0.233 1.00 98.19 ? 244 LYS B CA 1 ATOM 1819 C C . LYS A 1 226 ? -10.814 -64.057 1.034 1.00 102.51 ? 244 LYS B C 1 ATOM 1820 O O . LYS A 1 226 ? -11.299 -64.813 1.881 1.00 108.24 ? 244 LYS B O 1 ATOM 1821 C CB . LYS A 1 226 ? -11.430 -64.935 -1.205 1.00 101.32 ? 244 LYS B CB 1 ATOM 1822 C CG . LYS A 1 226 ? -12.500 -65.029 -2.281 1.00 101.54 ? 244 LYS B CG 1 ATOM 1823 C CD . LYS A 1 226 ? -12.383 -66.340 -3.046 1.00 105.95 ? 244 LYS B CD 1 ATOM 1824 C CE . LYS A 1 226 ? -13.424 -66.441 -4.151 1.00 107.63 ? 244 LYS B CE 1 ATOM 1825 N NZ . LYS A 1 226 ? -13.259 -65.369 -5.171 1.00 104.15 ? 244 LYS B NZ 1 ATOM 1826 N N . ASN A 1 227 ? -9.617 -63.494 1.182 1.00 101.78 ? 245 ASN B N 1 ATOM 1827 C CA . ASN A 1 227 ? -8.795 -63.732 2.362 1.00 104.86 ? 245 ASN B CA 1 ATOM 1828 C C . ASN A 1 227 ? -7.958 -62.492 2.637 1.00 101.06 ? 245 ASN B C 1 ATOM 1829 O O . ASN A 1 227 ? -7.287 -61.982 1.736 1.00 101.85 ? 245 ASN B O 1 ATOM 1830 C CB . ASN A 1 227 ? -7.890 -64.955 2.170 1.00 112.28 ? 245 ASN B CB 1 ATOM 1831 C CG . ASN A 1 227 ? -7.022 -64.850 0.931 1.00 118.27 ? 245 ASN B CG 1 ATOM 1832 O OD1 . ASN A 1 227 ? -5.901 -64.342 0.986 1.00 118.23 ? 245 ASN B OD1 1 ATOM 1833 N ND2 . ASN A 1 227 ? -7.537 -65.329 -0.195 1.00 123.39 ? 245 ASN B ND2 1 ATOM 1834 N N . PHE A 1 228 ? -8.004 -62.010 3.877 1.00 95.51 ? 246 PHE B N 1 ATOM 1835 C CA . PHE A 1 228 ? -7.244 -60.833 4.287 1.00 87.04 ? 246 PHE B CA 1 ATOM 1836 C C . PHE A 1 228 ? -6.556 -61.139 5.610 1.00 84.40 ? 246 PHE B C 1 ATOM 1837 O O . PHE A 1 228 ? -7.221 -61.272 6.642 1.00 84.45 ? 246 PHE B O 1 ATOM 1838 C CB . PHE A 1 228 ? -8.153 -59.614 4.409 1.00 81.08 ? 246 PHE B CB 1 ATOM 1839 C CG . PHE A 1 228 ? -7.412 -58.322 4.578 1.00 79.62 ? 246 PHE B CG 1 ATOM 1840 C CD1 . PHE A 1 228 ? -6.670 -57.796 3.535 1.00 78.63 ? 246 PHE B CD1 1 ATOM 1841 C CD2 . PHE A 1 228 ? -7.471 -57.624 5.772 1.00 78.15 ? 246 PHE B CD2 1 ATOM 1842 C CE1 . PHE A 1 228 ? -5.992 -56.603 3.682 1.00 76.24 ? 246 PHE B CE1 1 ATOM 1843 C CE2 . PHE A 1 228 ? -6.796 -56.431 5.925 1.00 77.00 ? 246 PHE B CE2 1 ATOM 1844 C CZ . PHE A 1 228 ? -6.055 -55.920 4.877 1.00 76.57 ? 246 PHE B CZ 1 ATOM 1845 N N . GLU A 1 229 ? -5.230 -61.241 5.583 1.00 83.08 ? 247 GLU B N 1 ATOM 1846 C CA . GLU A 1 229 ? -4.473 -61.622 6.766 1.00 84.27 ? 247 GLU B CA 1 ATOM 1847 C C . GLU A 1 229 ? -4.356 -60.453 7.738 1.00 82.21 ? 247 GLU B C 1 ATOM 1848 O O . GLU A 1 229 ? -4.129 -59.309 7.336 1.00 74.11 ? 247 GLU B O 1 ATOM 1849 C CB . GLU A 1 229 ? -3.084 -62.120 6.368 1.00 88.16 ? 247 GLU B CB 1 ATOM 1850 C CG . GLU A 1 229 ? -2.260 -62.655 7.527 1.00 95.30 ? 247 GLU B CG 1 ATOM 1851 C CD . GLU A 1 229 ? -0.976 -63.322 7.075 1.00 103.36 ? 247 GLU B CD 1 ATOM 1852 O OE1 . GLU A 1 229 ? -0.794 -63.502 5.852 1.00 105.23 ? 247 GLU B OE1 1 ATOM 1853 O OE2 . GLU A 1 229 ? -0.148 -63.667 7.944 1.00 106.25 ? 247 GLU B OE2 1 ATOM 1854 N N . ILE A 1 230 ? -4.511 -60.753 9.028 1.00 81.69 ? 248 ILE B N 1 ATOM 1855 C CA . ILE A 1 230 ? -4.442 -59.760 10.096 1.00 79.76 ? 248 ILE B CA 1 ATOM 1856 C C . ILE A 1 230 ? -3.603 -60.339 11.227 1.00 85.33 ? 248 ILE B C 1 ATOM 1857 O O . ILE A 1 230 ? -3.914 -61.422 11.741 1.00 93.13 ? 248 ILE B O 1 ATOM 1858 C CB . ILE A 1 230 ? -5.837 -59.366 10.613 1.00 77.92 ? 248 ILE B CB 1 ATOM 1859 C CG1 . ILE A 1 230 ? -6.616 -58.624 9.525 1.00 75.87 ? 248 ILE B CG1 1 ATOM 1860 C CG2 . ILE A 1 230 ? -5.721 -58.519 11.870 1.00 75.10 ? 248 ILE B CG2 1 ATOM 1861 C CD1 . ILE A 1 230 ? -8.045 -58.330 9.896 1.00 74.13 ? 248 ILE B CD1 1 ATOM 1862 N N . THR A 1 231 ? -2.545 -59.628 11.615 1.00 81.71 ? 249 THR B N 1 ATOM 1863 C CA . THR A 1 231 ? -1.633 -60.070 12.664 1.00 83.24 ? 249 THR B CA 1 ATOM 1864 C C . THR A 1 231 ? -1.767 -59.142 13.863 1.00 80.53 ? 249 THR B C 1 ATOM 1865 O O . THR A 1 231 ? -1.515 -57.941 13.752 1.00 79.92 ? 249 THR B O 1 ATOM 1866 C CB . THR A 1 231 ? -0.186 -60.099 12.170 1.00 86.06 ? 249 THR B CB 1 ATOM 1867 O OG1 . THR A 1 231 ? -0.045 -61.087 11.142 1.00 92.10 ? 249 THR B OG1 1 ATOM 1868 C CG2 . THR A 1 231 ? 0.757 -60.442 13.312 1.00 86.56 ? 249 THR B CG2 1 ATOM 1869 N N . ILE A 1 232 ? -2.147 -59.702 15.007 1.00 79.73 ? 250 ILE B N 1 ATOM 1870 C CA . ILE A 1 232 ? -2.375 -58.946 16.233 1.00 75.03 ? 250 ILE B CA 1 ATOM 1871 C C . ILE A 1 232 ? -1.280 -59.298 17.226 1.00 74.02 ? 250 ILE B C 1 ATOM 1872 O O . ILE A 1 232 ? -1.197 -60.441 17.688 1.00 78.13 ? 250 ILE B O 1 ATOM 1873 C CB . ILE A 1 232 ? -3.759 -59.241 16.823 1.00 75.83 ? 250 ILE B CB 1 ATOM 1874 C CG1 . ILE A 1 232 ? -4.843 -58.842 15.822 1.00 75.24 ? 250 ILE B CG1 1 ATOM 1875 C CG2 . ILE A 1 232 ? -3.937 -58.517 18.146 1.00 68.16 ? 250 ILE B CG2 1 ATOM 1876 C CD1 . ILE A 1 232 ? -6.207 -59.319 16.206 1.00 77.53 ? 250 ILE B CD1 1 ATOM 1877 N N . LYS A 1 233 ? -0.453 -58.318 17.565 1.00 72.74 ? 251 LYS B N 1 ATOM 1878 C CA . LYS A 1 233 ? 0.619 -58.494 18.531 1.00 72.89 ? 251 LYS B CA 1 ATOM 1879 C C . LYS A 1 233 ? 0.317 -57.694 19.791 1.00 70.98 ? 251 LYS B C 1 ATOM 1880 O O . LYS A 1 233 ? -0.479 -56.754 19.776 1.00 65.41 ? 251 LYS B O 1 ATOM 1881 C CB . LYS A 1 233 ? 1.966 -58.071 17.935 1.00 75.58 ? 251 LYS B CB 1 ATOM 1882 C CG . LYS A 1 233 ? 2.443 -58.984 16.815 1.00 85.98 ? 251 LYS B CG 1 ATOM 1883 C CD . LYS A 1 233 ? 3.777 -58.537 16.235 1.00 91.00 ? 251 LYS B CD 1 ATOM 1884 C CE . LYS A 1 233 ? 3.671 -57.164 15.588 1.00 91.31 ? 251 LYS B CE 1 ATOM 1885 N NZ . LYS A 1 233 ? 4.918 -56.779 14.864 1.00 93.28 ? 251 LYS B NZ 1 ATOM 1886 N N . ALA A 1 234 ? 0.952 -58.091 20.893 1.00 71.51 ? 252 ALA B N 1 ATOM 1887 C CA . ALA A 1 234 ? 0.740 -57.432 22.177 1.00 66.66 ? 252 ALA B CA 1 ATOM 1888 C C . ALA A 1 234 ? 1.919 -57.740 23.085 1.00 73.75 ? 252 ALA B C 1 ATOM 1889 O O . ALA A 1 234 ? 2.351 -58.893 23.164 1.00 76.04 ? 252 ALA B O 1 ATOM 1890 C CB . ALA A 1 234 ? -0.569 -57.892 22.827 1.00 66.95 ? 252 ALA B CB 1 ATOM 1891 N N . ARG A 1 235 ? 2.431 -56.718 23.770 1.00 71.14 ? 253 ARG B N 1 ATOM 1892 C CA . ARG A 1 235 ? 3.586 -56.906 24.639 1.00 76.02 ? 253 ARG B CA 1 ATOM 1893 C C . ARG A 1 235 ? 3.484 -55.973 25.839 1.00 74.75 ? 253 ARG B C 1 ATOM 1894 O O . ARG A 1 235 ? 2.890 -54.895 25.760 1.00 71.57 ? 253 ARG B O 1 ATOM 1895 C CB . ARG A 1 235 ? 4.903 -56.669 23.883 1.00 79.58 ? 253 ARG B CB 1 ATOM 1896 C CG . ARG A 1 235 ? 5.080 -55.250 23.361 1.00 82.45 ? 253 ARG B CG 1 ATOM 1897 C CD . ARG A 1 235 ? 6.267 -55.121 22.404 1.00 85.57 ? 253 ARG B CD 1 ATOM 1898 N NE . ARG A 1 235 ? 7.559 -55.412 23.030 1.00 83.44 ? 253 ARG B NE 1 ATOM 1899 C CZ . ARG A 1 235 ? 8.280 -56.503 22.788 1.00 82.18 ? 253 ARG B CZ 1 ATOM 1900 N NH1 . ARG A 1 235 ? 7.839 -57.414 21.933 1.00 87.21 ? 253 ARG B NH1 1 ATOM 1901 N NH2 . ARG A 1 235 ? 9.444 -56.681 23.397 1.00 79.41 ? 253 ARG B NH2 1 ATOM 1902 N N . TYR A 1 236 ? 4.066 -56.408 26.957 1.00 76.44 ? 254 TYR B N 1 ATOM 1903 C CA . TYR A 1 236 ? 4.088 -55.587 28.160 1.00 74.49 ? 254 TYR B CA 1 ATOM 1904 C C . TYR A 1 236 ? 5.059 -54.427 27.988 1.00 75.05 ? 254 TYR B C 1 ATOM 1905 O O . TYR A 1 236 ? 6.033 -54.508 27.234 1.00 75.22 ? 254 TYR B O 1 ATOM 1906 C CB . TYR A 1 236 ? 4.492 -56.414 29.383 1.00 70.52 ? 254 TYR B CB 1 ATOM 1907 C CG . TYR A 1 236 ? 3.619 -57.619 29.653 1.00 71.60 ? 254 TYR B CG 1 ATOM 1908 C CD1 . TYR A 1 236 ? 2.371 -57.483 30.250 1.00 67.13 ? 254 TYR B CD1 1 ATOM 1909 C CD2 . TYR A 1 236 ? 4.053 -58.896 29.325 1.00 74.96 ? 254 TYR B CD2 1 ATOM 1910 C CE1 . TYR A 1 236 ? 1.577 -58.589 30.501 1.00 68.78 ? 254 TYR B CE1 1 ATOM 1911 C CE2 . TYR A 1 236 ? 3.271 -60.001 29.573 1.00 78.75 ? 254 TYR B CE2 1 ATOM 1912 C CZ . TYR A 1 236 ? 2.035 -59.844 30.159 1.00 79.68 ? 254 TYR B CZ 1 ATOM 1913 O OH . TYR A 1 236 ? 1.263 -60.958 30.400 1.00 88.12 ? 254 TYR B OH 1 ATOM 1914 N N . PHE A 1 237 ? 4.794 -53.341 28.714 1.00 73.76 ? 255 PHE B N 1 ATOM 1915 C CA . PHE A 1 237 ? 5.618 -52.145 28.609 1.00 73.95 ? 255 PHE B CA 1 ATOM 1916 C C . PHE A 1 237 ? 6.980 -52.288 29.275 1.00 80.93 ? 255 PHE B C 1 ATOM 1917 O O . PHE A 1 237 ? 7.785 -51.353 29.196 1.00 83.99 ? 255 PHE B O 1 ATOM 1918 C CB . PHE A 1 237 ? 4.874 -50.941 29.184 1.00 67.60 ? 255 PHE B CB 1 ATOM 1919 C CG . PHE A 1 237 ? 3.786 -50.438 28.290 1.00 67.67 ? 255 PHE B CG 1 ATOM 1920 C CD1 . PHE A 1 237 ? 4.096 -49.845 27.077 1.00 70.99 ? 255 PHE B CD1 1 ATOM 1921 C CD2 . PHE A 1 237 ? 2.455 -50.569 28.647 1.00 68.46 ? 255 PHE B CD2 1 ATOM 1922 C CE1 . PHE A 1 237 ? 3.098 -49.384 26.239 1.00 72.02 ? 255 PHE B CE1 1 ATOM 1923 C CE2 . PHE A 1 237 ? 1.452 -50.108 27.814 1.00 70.87 ? 255 PHE B CE2 1 ATOM 1924 C CZ . PHE A 1 237 ? 1.774 -49.516 26.608 1.00 72.63 ? 255 PHE B CZ 1 ATOM 1925 N N . TYR A 1 238 ? 7.265 -53.417 29.924 1.00 84.19 ? 256 TYR B N 1 ATOM 1926 C CA . TYR A 1 238 ? 8.633 -53.740 30.309 1.00 85.85 ? 256 TYR B CA 1 ATOM 1927 C C . TYR A 1 238 ? 9.333 -54.612 29.269 1.00 88.89 ? 256 TYR B C 1 ATOM 1928 O O . TYR A 1 238 ? 10.181 -55.443 29.626 1.00 90.56 ? 256 TYR B O 1 ATOM 1929 C CB . TYR A 1 238 ? 8.672 -54.389 31.696 1.00 85.77 ? 256 TYR B CB 1 ATOM 1930 C CG . TYR A 1 238 ? 7.650 -55.478 31.954 1.00 83.93 ? 256 TYR B CG 1 ATOM 1931 C CD1 . TYR A 1 238 ? 7.923 -56.804 31.639 1.00 81.67 ? 256 TYR B CD1 1 ATOM 1932 C CD2 . TYR A 1 238 ? 6.426 -55.185 32.549 1.00 81.80 ? 256 TYR B CD2 1 ATOM 1933 C CE1 . TYR A 1 238 ? 6.999 -57.805 31.887 1.00 82.56 ? 256 TYR B CE1 1 ATOM 1934 C CE2 . TYR A 1 238 ? 5.494 -56.181 32.801 1.00 82.89 ? 256 TYR B CE2 1 ATOM 1935 C CZ . TYR A 1 238 ? 5.787 -57.490 32.467 1.00 84.97 ? 256 TYR B CZ 1 ATOM 1936 O OH . TYR A 1 238 ? 4.869 -58.487 32.713 1.00 87.56 ? 256 TYR B OH 1 ATOM 1937 N N . ASN A 1 239 ? 8.979 -54.444 27.989 1.00 87.40 ? 257 ASN B N 1 ATOM 1938 C CA . ASN A 1 239 ? 9.727 -55.004 26.862 1.00 85.42 ? 257 ASN B CA 1 ATOM 1939 C C . ASN A 1 239 ? 9.701 -56.531 26.857 1.00 87.63 ? 257 ASN B C 1 ATOM 1940 O O . ASN A 1 239 ? 10.688 -57.186 26.512 1.00 88.47 ? 257 ASN B O 1 ATOM 1941 C CB . ASN A 1 239 ? 11.166 -54.486 26.850 1.00 84.59 ? 257 ASN B CB 1 ATOM 1942 C CG . ASN A 1 239 ? 11.731 -54.388 25.456 1.00 83.80 ? 257 ASN B CG 1 ATOM 1943 O OD1 . ASN A 1 239 ? 10.987 -54.258 24.484 1.00 77.55 ? 257 ASN B OD1 1 ATOM 1944 N ND2 . ASN A 1 239 ? 13.051 -54.454 25.346 1.00 86.07 ? 257 ASN B ND2 1 ATOM 1945 N N . LYS A 1 240 ? 8.564 -57.104 27.237 1.00 87.19 ? 258 LYS B N 1 ATOM 1946 C CA . LYS A 1 240 ? 8.361 -58.545 27.199 1.00 88.34 ? 258 LYS B CA 1 ATOM 1947 C C . LYS A 1 240 ? 7.058 -58.838 26.473 1.00 85.98 ? 258 LYS B C 1 ATOM 1948 O O . LYS A 1 240 ? 6.081 -58.093 26.606 1.00 82.34 ? 258 LYS B O 1 ATOM 1949 C CB . LYS A 1 240 ? 8.322 -59.158 28.608 1.00 90.46 ? 258 LYS B CB 1 ATOM 1950 C CG . LYS A 1 240 ? 9.640 -59.110 29.376 1.00 89.78 ? 258 LYS B CG 1 ATOM 1951 C CD . LYS A 1 240 ? 10.654 -60.094 28.818 1.00 91.57 ? 258 LYS B CD 1 ATOM 1952 C CE . LYS A 1 240 ? 11.876 -60.196 29.722 1.00 93.93 ? 258 LYS B CE 1 ATOM 1953 N NZ . LYS A 1 240 ? 11.536 -60.667 31.097 1.00 95.98 ? 258 LYS B NZ 1 ATOM 1954 N N . VAL A 1 241 ? 7.048 -59.916 25.706 1.00 87.81 ? 259 VAL B N 1 ATOM 1955 C CA . VAL A 1 241 ? 5.864 -60.287 24.943 1.00 89.12 ? 259 VAL B CA 1 ATOM 1956 C C . VAL A 1 241 ? 4.836 -60.903 25.880 1.00 90.25 ? 259 VAL B C 1 ATOM 1957 O O . VAL A 1 241 ? 5.180 -61.644 26.810 1.00 89.31 ? 259 VAL B O 1 ATOM 1958 C CB . VAL A 1 241 ? 6.234 -61.251 23.801 1.00 90.28 ? 259 VAL B CB 1 ATOM 1959 C CG1 . VAL A 1 241 ? 7.029 -60.522 22.729 1.00 89.15 ? 259 VAL B CG1 1 ATOM 1960 C CG2 . VAL A 1 241 ? 7.018 -62.439 24.335 1.00 91.71 ? 259 VAL B CG2 1 ATOM 1961 N N . VAL A 1 242 ? 3.564 -60.583 25.646 1.00 96.00 ? 260 VAL B N 1 ATOM 1962 C CA . VAL A 1 242 ? 2.488 -61.213 26.398 1.00 73.95 ? 260 VAL B CA 1 ATOM 1963 C C . VAL A 1 242 ? 2.430 -62.690 26.036 1.00 84.48 ? 260 VAL B C 1 ATOM 1964 O O . VAL A 1 242 ? 2.344 -63.054 24.856 1.00 87.80 ? 260 VAL B O 1 ATOM 1965 C CB . VAL A 1 242 ? 1.152 -60.511 26.123 1.00 72.10 ? 260 VAL B CB 1 ATOM 1966 C CG1 . VAL A 1 242 ? 0.014 -61.288 26.751 1.00 73.22 ? 260 VAL B CG1 1 ATOM 1967 C CG2 . VAL A 1 242 ? 1.189 -59.101 26.670 1.00 69.45 ? 260 VAL B CG2 1 ATOM 1968 N N . THR A 1 243 ? 2.483 -63.549 27.054 1.00 85.04 ? 261 THR B N 1 ATOM 1969 C CA . THR A 1 243 ? 2.603 -64.983 26.811 1.00 81.66 ? 261 THR B CA 1 ATOM 1970 C C . THR A 1 243 ? 1.291 -65.576 26.317 1.00 82.52 ? 261 THR B C 1 ATOM 1971 O O . THR A 1 243 ? 1.236 -66.182 25.242 1.00 91.95 ? 261 THR B O 1 ATOM 1972 C CB . THR A 1 243 ? 3.063 -65.690 28.084 1.00 90.06 ? 261 THR B CB 1 ATOM 1973 O OG1 . THR A 1 243 ? 4.266 -65.075 28.559 1.00 82.42 ? 261 THR B OG1 1 ATOM 1974 C CG2 . THR A 1 243 ? 3.312 -67.171 27.803 1.00 86.65 ? 261 THR B CG2 1 ATOM 1975 N N . GLU A 1 244 ? 0.227 -65.432 27.101 1.00 81.80 ? 262 GLU B N 1 ATOM 1976 C CA . GLU A 1 244 ? -1.077 -65.975 26.751 1.00 86.99 ? 262 GLU B CA 1 ATOM 1977 C C . GLU A 1 244 ? -2.146 -64.916 26.971 1.00 89.81 ? 262 GLU B C 1 ATOM 1978 O O . GLU A 1 244 ? -2.120 -64.194 27.973 1.00 90.17 ? 262 GLU B O 1 ATOM 1979 C CB . GLU A 1 244 ? -1.403 -67.226 27.576 1.00 85.43 ? 262 GLU B CB 1 ATOM 1980 C CG . GLU A 1 244 ? -0.431 -68.375 27.373 1.00 103.05 ? 262 GLU B CG 1 ATOM 1981 C CD . GLU A 1 244 ? -0.747 -69.559 28.260 1.00 103.64 ? 262 GLU B CD 1 ATOM 1982 O OE1 . GLU A 1 244 ? -1.602 -69.409 29.158 1.00 100.77 ? 262 GLU B OE1 1 ATOM 1983 O OE2 . GLU A 1 244 ? -0.145 -70.636 28.061 1.00 105.38 ? 262 GLU B OE2 1 ATOM 1984 N N . ALA A 1 245 ? -3.083 -64.826 26.030 1.00 90.27 ? 263 ALA B N 1 ATOM 1985 C CA . ALA A 1 245 ? -4.194 -63.893 26.153 1.00 77.98 ? 263 ALA B CA 1 ATOM 1986 C C . ALA A 1 245 ? -5.333 -64.365 25.262 1.00 79.05 ? 263 ALA B C 1 ATOM 1987 O O . ALA A 1 245 ? -5.178 -65.277 24.447 1.00 86.82 ? 263 ALA B O 1 ATOM 1988 C CB . ALA A 1 245 ? -3.770 -62.466 25.798 1.00 75.03 ? 263 ALA B CB 1 ATOM 1989 N N . ASP A 1 246 ? -6.487 -63.734 25.436 1.00 77.80 ? 264 ASP B N 1 ATOM 1990 C CA . ASP A 1 246 ? -7.677 -64.019 24.648 1.00 86.02 ? 264 ASP B CA 1 ATOM 1991 C C . ASP A 1 246 ? -7.903 -62.859 23.690 1.00 80.51 ? 264 ASP B C 1 ATOM 1992 O O . ASP A 1 246 ? -7.991 -61.705 24.121 1.00 73.84 ? 264 ASP B O 1 ATOM 1993 C CB . ASP A 1 246 ? -8.891 -64.225 25.552 1.00 92.23 ? 264 ASP B CB 1 ATOM 1994 C CG . ASP A 1 246 ? -9.576 -65.550 25.311 1.00 100.60 ? 264 ASP B CG 1 ATOM 1995 O OD1 . ASP A 1 246 ? -8.965 -66.426 24.666 1.00 104.37 ? 264 ASP B OD1 1 ATOM 1996 O OD2 . ASP A 1 246 ? -10.723 -65.716 25.773 1.00 104.10 ? 264 ASP B OD2 1 ATOM 1997 N N . VAL A 1 247 ? -7.983 -63.160 22.399 1.00 79.60 ? 265 VAL B N 1 ATOM 1998 C CA . VAL A 1 247 ? -8.129 -62.149 21.359 1.00 76.48 ? 265 VAL B CA 1 ATOM 1999 C C . VAL A 1 247 ? -9.529 -62.262 20.778 1.00 76.61 ? 265 VAL B C 1 ATOM 2000 O O . VAL A 1 247 ? -9.934 -63.338 20.316 1.00 80.68 ? 265 VAL B O 1 ATOM 2001 C CB . VAL A 1 247 ? -7.069 -62.304 20.259 1.00 81.24 ? 265 VAL B CB 1 ATOM 2002 C CG1 . VAL A 1 247 ? -7.051 -61.074 19.364 1.00 78.90 ? 265 VAL B CG1 1 ATOM 2003 C CG2 . VAL A 1 247 ? -5.708 -62.546 20.870 1.00 85.05 ? 265 VAL B CG2 1 ATOM 2004 N N . TYR A 1 248 ? -10.262 -61.150 20.797 1.00 73.41 ? 266 TYR B N 1 ATOM 2005 C CA . TYR A 1 248 ? -11.587 -61.058 20.198 1.00 73.70 ? 266 TYR B CA 1 ATOM 2006 C C . TYR A 1 248 ? -11.582 -59.955 19.151 1.00 82.00 ? 266 TYR B C 1 ATOM 2007 O O . TYR A 1 248 ? -11.179 -58.824 19.439 1.00 80.87 ? 266 TYR B O 1 ATOM 2008 C CB . TYR A 1 248 ? -12.652 -60.788 21.260 1.00 73.51 ? 266 TYR B CB 1 ATOM 2009 C CG . TYR A 1 248 ? -12.833 -61.935 22.222 1.00 78.84 ? 266 TYR B CG 1 ATOM 2010 C CD1 . TYR A 1 248 ? -13.673 -62.997 21.913 1.00 78.63 ? 266 TYR B CD1 1 ATOM 2011 C CD2 . TYR A 1 248 ? -12.157 -61.964 23.432 1.00 75.71 ? 266 TYR B CD2 1 ATOM 2012 C CE1 . TYR A 1 248 ? -13.839 -64.050 22.785 1.00 81.01 ? 266 TYR B CE1 1 ATOM 2013 C CE2 . TYR A 1 248 ? -12.317 -63.014 24.311 1.00 84.73 ? 266 TYR B CE2 1 ATOM 2014 C CZ . TYR A 1 248 ? -13.158 -64.054 23.983 1.00 91.09 ? 266 TYR B CZ 1 ATOM 2015 O OH . TYR A 1 248 ? -13.320 -65.104 24.857 1.00 97.17 ? 266 TYR B OH 1 ATOM 2016 N N . ILE A 1 249 ? -12.028 -60.285 17.941 1.00 80.67 ? 267 ILE B N 1 ATOM 2017 C CA . ILE A 1 249 ? -11.967 -59.376 16.803 1.00 78.21 ? 267 ILE B CA 1 ATOM 2018 C C . ILE A 1 249 ? -13.364 -59.230 16.221 1.00 81.44 ? 267 ILE B C 1 ATOM 2019 O O . ILE A 1 249 ? -13.999 -60.229 15.863 1.00 86.21 ? 267 ILE B O 1 ATOM 2020 C CB . ILE A 1 249 ? -10.993 -59.873 15.726 1.00 79.55 ? 267 ILE B CB 1 ATOM 2021 C CG1 . ILE A 1 249 ? -9.720 -60.393 16.381 1.00 84.06 ? 267 ILE B CG1 1 ATOM 2022 C CG2 . ILE A 1 249 ? -10.669 -58.755 14.751 1.00 76.56 ? 267 ILE B CG2 1 ATOM 2023 C CD1 . ILE A 1 249 ? -9.051 -61.471 15.603 1.00 87.60 ? 267 ILE B CD1 1 ATOM 2024 N N . THR A 1 250 ? -13.833 -57.990 16.118 1.00 79.13 ? 268 THR B N 1 ATOM 2025 C CA . THR A 1 250 ? -15.096 -57.660 15.478 1.00 79.53 ? 268 THR B CA 1 ATOM 2026 C C . THR A 1 250 ? -14.822 -56.805 14.249 1.00 77.79 ? 268 THR B C 1 ATOM 2027 O O . THR A 1 250 ? -13.907 -55.973 14.251 1.00 73.55 ? 268 THR B O 1 ATOM 2028 C CB . THR A 1 250 ? -16.036 -56.921 16.443 1.00 77.98 ? 268 THR B CB 1 ATOM 2029 O OG1 . THR A 1 250 ? -15.357 -55.794 17.012 1.00 75.79 ? 268 THR B OG1 1 ATOM 2030 C CG2 . THR A 1 250 ? -16.485 -57.840 17.560 1.00 78.04 ? 268 THR B CG2 1 ATOM 2031 N N . PHE A 1 251 ? -15.609 -57.018 13.199 1.00 80.68 ? 269 PHE B N 1 ATOM 2032 C CA . PHE A 1 251 ? -15.422 -56.336 11.929 1.00 86.89 ? 269 PHE B CA 1 ATOM 2033 C C . PHE A 1 251 ? -16.658 -55.510 11.591 1.00 92.30 ? 269 PHE B C 1 ATOM 2034 O O . PHE A 1 251 ? -17.787 -55.888 11.918 1.00 100.89 ? 269 PHE B O 1 ATOM 2035 C CB . PHE A 1 251 ? -15.133 -57.338 10.800 1.00 89.72 ? 269 PHE B CB 1 ATOM 2036 C CG . PHE A 1 251 ? -13.891 -58.156 11.020 1.00 89.34 ? 269 PHE B CG 1 ATOM 2037 C CD1 . PHE A 1 251 ? -13.956 -59.377 11.671 1.00 87.89 ? 269 PHE B CD1 1 ATOM 2038 C CD2 . PHE A 1 251 ? -12.659 -57.704 10.577 1.00 87.35 ? 269 PHE B CD2 1 ATOM 2039 C CE1 . PHE A 1 251 ? -12.818 -60.131 11.876 1.00 86.47 ? 269 PHE B CE1 1 ATOM 2040 C CE2 . PHE A 1 251 ? -11.516 -58.455 10.779 1.00 86.15 ? 269 PHE B CE2 1 ATOM 2041 C CZ . PHE A 1 251 ? -11.597 -59.670 11.429 1.00 85.68 ? 269 PHE B CZ 1 ATOM 2042 N N . GLY A 1 252 ? -16.432 -54.376 10.933 1.00 89.63 ? 270 GLY B N 1 ATOM 2043 C CA . GLY A 1 252 ? -17.527 -53.518 10.525 1.00 91.30 ? 270 GLY B CA 1 ATOM 2044 C C . GLY A 1 252 ? -17.244 -52.861 9.191 1.00 90.79 ? 270 GLY B C 1 ATOM 2045 O O . GLY A 1 252 ? -16.111 -52.847 8.705 1.00 89.95 ? 270 GLY B O 1 ATOM 2046 N N . ILE A 1 253 ? -18.304 -52.318 8.599 1.00 89.93 ? 271 ILE B N 1 ATOM 2047 C CA . ILE A 1 253 ? -18.227 -51.554 7.361 1.00 84.90 ? 271 ILE B CA 1 ATOM 2048 C C . ILE A 1 253 ? -18.470 -50.090 7.696 1.00 82.50 ? 271 ILE B C 1 ATOM 2049 O O . ILE A 1 253 ? -19.393 -49.764 8.453 1.00 81.90 ? 271 ILE B O 1 ATOM 2050 C CB . ILE A 1 253 ? -19.239 -52.062 6.322 1.00 83.52 ? 271 ILE B CB 1 ATOM 2051 C CG1 . ILE A 1 253 ? -18.927 -53.514 5.955 1.00 78.80 ? 271 ILE B CG1 1 ATOM 2052 C CG2 . ILE A 1 253 ? -19.227 -51.171 5.084 1.00 85.28 ? 271 ILE B CG2 1 ATOM 2053 C CD1 . ILE A 1 253 ? -17.553 -53.704 5.351 1.00 73.41 ? 271 ILE B CD1 1 ATOM 2054 N N . ARG A 1 254 ? -17.646 -49.210 7.131 1.00 84.42 ? 272 ARG B N 1 ATOM 2055 C CA . ARG A 1 254 ? -17.647 -47.795 7.471 1.00 88.01 ? 272 ARG B CA 1 ATOM 2056 C C . ARG A 1 254 ? -17.759 -46.958 6.204 1.00 92.93 ? 272 ARG B C 1 ATOM 2057 O O . ARG A 1 254 ? -17.113 -47.255 5.195 1.00 95.83 ? 272 ARG B O 1 ATOM 2058 C CB . ARG A 1 254 ? -16.373 -47.433 8.241 1.00 86.49 ? 272 ARG B CB 1 ATOM 2059 C CG . ARG A 1 254 ? -16.458 -46.164 9.057 1.00 84.22 ? 272 ARG B CG 1 ATOM 2060 C CD . ARG A 1 254 ? -15.256 -46.055 9.973 1.00 82.45 ? 272 ARG B CD 1 ATOM 2061 N NE . ARG A 1 254 ? -15.270 -44.827 10.757 1.00 81.32 ? 272 ARG B NE 1 ATOM 2062 C CZ . ARG A 1 254 ? -14.325 -44.494 11.628 1.00 81.47 ? 272 ARG B CZ 1 ATOM 2063 N NH1 . ARG A 1 254 ? -13.294 -45.303 11.825 1.00 81.49 ? 272 ARG B NH1 1 ATOM 2064 N NH2 . ARG A 1 254 ? -14.410 -43.355 12.302 1.00 81.36 ? 272 ARG B NH2 1 ATOM 2065 N N . GLU A 1 255 ? -18.584 -45.909 6.260 1.00 97.02 ? 273 GLU B N 1 ATOM 2066 C CA . GLU A 1 255 ? -18.784 -45.051 5.094 1.00 101.18 ? 273 GLU B CA 1 ATOM 2067 C C . GLU A 1 255 ? -17.574 -44.157 4.854 1.00 104.19 ? 273 GLU B C 1 ATOM 2068 O O . GLU A 1 255 ? -16.968 -44.181 3.776 1.00 101.96 ? 273 GLU B O 1 ATOM 2069 C CB . GLU A 1 255 ? -20.047 -44.206 5.271 1.00 99.74 ? 273 GLU B CB 1 ATOM 2070 C CG . GLU A 1 255 ? -21.345 -44.968 5.064 1.00 103.58 ? 273 GLU B CG 1 ATOM 2071 C CD . GLU A 1 255 ? -21.586 -45.337 3.609 1.00 105.74 ? 273 GLU B CD 1 ATOM 2072 O OE1 . GLU A 1 255 ? -20.891 -44.788 2.726 1.00 104.45 ? 273 GLU B OE1 1 ATOM 2073 O OE2 . GLU A 1 255 ? -22.474 -46.176 3.347 1.00 107.41 ? 273 GLU B OE2 1 ATOM 2074 N N . ASP A 1 256 ? -17.221 -43.343 5.846 1.00 109.50 ? 274 ASP B N 1 ATOM 2075 C CA . ASP A 1 256 ? -16.046 -42.489 5.776 1.00 113.31 ? 274 ASP B CA 1 ATOM 2076 C C . ASP A 1 256 ? -15.417 -42.408 7.159 1.00 105.10 ? 274 ASP B C 1 ATOM 2077 O O . ASP A 1 256 ? -16.068 -42.662 8.176 1.00 104.22 ? 274 ASP B O 1 ATOM 2078 C CB . ASP A 1 256 ? -16.386 -41.086 5.247 1.00 121.65 ? 274 ASP B CB 1 ATOM 2079 C CG . ASP A 1 256 ? -17.458 -40.390 6.068 1.00 126.77 ? 274 ASP B CG 1 ATOM 2080 O OD1 . ASP A 1 256 ? -18.321 -41.088 6.642 1.00 132.22 ? 274 ASP B OD1 1 ATOM 2081 O OD2 . ASP A 1 256 ? -17.438 -39.143 6.135 1.00 125.63 ? 274 ASP B OD2 1 ATOM 2082 N N . LEU A 1 257 ? -14.132 -42.052 7.186 1.00 101.11 ? 275 LEU B N 1 ATOM 2083 C CA . LEU A 1 257 ? -13.389 -42.008 8.438 1.00 97.33 ? 275 LEU B CA 1 ATOM 2084 C C . LEU A 1 257 ? -13.722 -40.787 9.287 1.00 101.41 ? 275 LEU B C 1 ATOM 2085 O O . LEU A 1 257 ? -13.466 -40.805 10.495 1.00 102.11 ? 275 LEU B O 1 ATOM 2086 C CB . LEU A 1 257 ? -11.888 -42.046 8.153 1.00 88.71 ? 275 LEU B CB 1 ATOM 2087 C CG . LEU A 1 257 ? -11.435 -43.254 7.331 1.00 85.96 ? 275 LEU B CG 1 ATOM 2088 C CD1 . LEU A 1 257 ? -9.923 -43.248 7.138 1.00 85.65 ? 275 LEU B CD1 1 ATOM 2089 C CD2 . LEU A 1 257 ? -11.903 -44.549 7.985 1.00 83.92 ? 275 LEU B CD2 1 ATOM 2090 N N . LYS A 1 258 ? -14.280 -39.731 8.690 1.00 106.05 ? 276 LYS B N 1 ATOM 2091 C CA . LYS A 1 258 ? -14.668 -38.563 9.475 1.00 110.95 ? 276 LYS B CA 1 ATOM 2092 C C . LYS A 1 258 ? -15.848 -38.877 10.387 1.00 114.34 ? 276 LYS B C 1 ATOM 2093 O O . LYS A 1 258 ? -15.849 -38.496 11.564 1.00 113.49 ? 276 LYS B O 1 ATOM 2094 C CB . LYS A 1 258 ? -15.001 -37.394 8.549 1.00 114.89 ? 276 LYS B CB 1 ATOM 2095 C CG . LYS A 1 258 ? -13.790 -36.590 8.100 1.00 118.39 ? 276 LYS B CG 1 ATOM 2096 C CD . LYS A 1 258 ? -13.186 -35.817 9.264 1.00 120.26 ? 276 LYS B CD 1 ATOM 2097 C CE . LYS A 1 258 ? -12.086 -34.873 8.799 1.00 120.28 ? 276 LYS B CE 1 ATOM 2098 N NZ . LYS A 1 258 ? -11.563 -34.033 9.913 1.00 119.20 ? 276 LYS B NZ 1 ATOM 2099 N N . ASP A 1 259 ? -16.857 -39.571 9.866 1.00 118.48 ? 277 ASP B N 1 ATOM 2100 C CA . ASP A 1 259 ? -18.027 -39.929 10.654 1.00 122.11 ? 277 ASP B CA 1 ATOM 2101 C C . ASP A 1 259 ? -17.732 -41.162 11.499 1.00 122.15 ? 277 ASP B C 1 ATOM 2102 O O . ASP A 1 259 ? -17.240 -42.173 10.988 1.00 123.51 ? 277 ASP B O 1 ATOM 2103 C CB . ASP A 1 259 ? -19.225 -40.186 9.740 1.00 128.43 ? 277 ASP B CB 1 ATOM 2104 C CG . ASP A 1 259 ? -20.491 -40.511 10.511 1.00 134.13 ? 277 ASP B CG 1 ATOM 2105 O OD1 . ASP A 1 259 ? -20.596 -40.105 11.688 1.00 136.95 ? 277 ASP B OD1 1 ATOM 2106 O OD2 . ASP A 1 259 ? -21.386 -41.167 9.936 1.00 137.29 ? 277 ASP B OD2 1 ATOM 2107 N N . ASP A 1 260 ? -18.042 -41.080 12.792 1.00 120.45 ? 278 ASP B N 1 ATOM 2108 C CA . ASP A 1 260 ? -17.798 -42.171 13.726 1.00 120.04 ? 278 ASP B CA 1 ATOM 2109 C C . ASP A 1 260 ? -18.868 -43.258 13.669 1.00 115.66 ? 278 ASP B C 1 ATOM 2110 O O . ASP A 1 260 ? -18.949 -44.080 14.590 1.00 117.44 ? 278 ASP B O 1 ATOM 2111 C CB . ASP A 1 260 ? -17.683 -41.626 15.152 1.00 123.52 ? 278 ASP B CB 1 ATOM 2112 C CG . ASP A 1 260 ? -16.559 -40.620 15.300 1.00 125.37 ? 278 ASP B CG 1 ATOM 2113 O OD1 . ASP A 1 260 ? -15.604 -40.669 14.496 1.00 125.27 ? 278 ASP B OD1 1 ATOM 2114 O OD2 . ASP A 1 260 ? -16.628 -39.781 16.223 1.00 127.56 ? 278 ASP B OD2 1 ATOM 2115 N N . GLN A 1 261 ? -19.683 -43.284 12.621 1.00 110.51 ? 279 GLN B N 1 ATOM 2116 C CA . GLN A 1 261 ? -20.705 -44.306 12.459 1.00 110.29 ? 279 GLN B CA 1 ATOM 2117 C C . GLN A 1 261 ? -20.130 -45.517 11.733 1.00 108.56 ? 279 GLN B C 1 ATOM 2118 O O . GLN A 1 261 ? -19.270 -45.390 10.858 1.00 108.32 ? 279 GLN B O 1 ATOM 2119 C CB . GLN A 1 261 ? -21.904 -43.746 11.691 1.00 113.54 ? 279 GLN B CB 1 ATOM 2120 C CG . GLN A 1 261 ? -23.019 -44.743 11.437 1.00 119.93 ? 279 GLN B CG 1 ATOM 2121 C CD . GLN A 1 261 ? -23.591 -45.322 12.717 1.00 124.66 ? 279 GLN B CD 1 ATOM 2122 O OE1 . GLN A 1 261 ? -23.054 -46.279 13.276 1.00 125.37 ? 279 GLN B OE1 1 ATOM 2123 N NE2 . GLN A 1 261 ? -24.689 -44.743 13.187 1.00 127.06 ? 279 GLN B NE2 1 ATOM 2124 N N . LYS A 1 262 ? -20.610 -46.700 12.112 1.00 108.66 ? 280 LYS B N 1 ATOM 2125 C CA . LYS A 1 262 ? -20.130 -47.945 11.529 1.00 107.23 ? 280 LYS B CA 1 ATOM 2126 C C . LYS A 1 262 ? -21.209 -49.010 11.657 1.00 107.30 ? 280 LYS B C 1 ATOM 2127 O O . LYS A 1 262 ? -22.026 -48.979 12.581 1.00 108.55 ? 280 LYS B O 1 ATOM 2128 C CB . LYS A 1 262 ? -18.831 -48.407 12.204 1.00 106.10 ? 280 LYS B CB 1 ATOM 2129 C CG . LYS A 1 262 ? -18.895 -48.417 13.726 1.00 106.58 ? 280 LYS B CG 1 ATOM 2130 C CD . LYS A 1 262 ? -17.530 -48.681 14.345 1.00 106.94 ? 280 LYS B CD 1 ATOM 2131 C CE . LYS A 1 262 ? -17.606 -48.735 15.865 1.00 107.64 ? 280 LYS B CE 1 ATOM 2132 N NZ . LYS A 1 262 ? -18.077 -47.448 16.444 1.00 106.69 ? 280 LYS B NZ 1 ATOM 2133 N N . GLU A 1 263 ? -21.210 -49.952 10.715 1.00 107.00 ? 281 GLU B N 1 ATOM 2134 C CA . GLU A 1 263 ? -22.155 -51.065 10.705 1.00 110.61 ? 281 GLU B CA 1 ATOM 2135 C C . GLU A 1 263 ? -21.404 -52.340 11.070 1.00 111.45 ? 281 GLU B C 1 ATOM 2136 O O . GLU A 1 263 ? -20.597 -52.840 10.278 1.00 112.87 ? 281 GLU B O 1 ATOM 2137 C CB . GLU A 1 263 ? -22.832 -51.203 9.344 1.00 116.08 ? 281 GLU B CB 1 ATOM 2138 C CG . GLU A 1 263 ? -24.090 -50.370 9.181 1.00 120.40 ? 281 GLU B CG 1 ATOM 2139 C CD . GLU A 1 263 ? -24.796 -50.638 7.865 1.00 124.64 ? 281 GLU B CD 1 ATOM 2140 O OE1 . GLU A 1 263 ? -24.145 -51.164 6.937 1.00 126.24 ? 281 GLU B OE1 1 ATOM 2141 O OE2 . GLU A 1 263 ? -26.002 -50.330 7.760 1.00 125.33 ? 281 GLU B OE2 1 ATOM 2142 N N . MET A 1 264 ? -21.679 -52.871 12.257 1.00 110.10 ? 282 MET B N 1 ATOM 2143 C CA . MET A 1 264 ? -20.973 -54.055 12.719 1.00 108.47 ? 282 MET B CA 1 ATOM 2144 C C . MET A 1 264 ? -21.452 -55.303 11.981 1.00 108.00 ? 282 MET B C 1 ATOM 2145 O O . MET A 1 264 ? -22.491 -55.311 11.314 1.00 107.44 ? 282 MET B O 1 ATOM 2146 C CB . MET A 1 264 ? -21.155 -54.237 14.225 1.00 107.87 ? 282 MET B CB 1 ATOM 2147 C CG . MET A 1 264 ? -20.363 -53.250 15.056 1.00 104.97 ? 282 MET B CG 1 ATOM 2148 S SD . MET A 1 264 ? -18.638 -53.178 14.540 1.00 103.21 ? 282 MET B SD 1 ATOM 2149 C CE . MET A 1 264 ? -17.910 -52.304 15.923 1.00 99.94 ? 282 MET B CE 1 ATOM 2150 N N . MET A 1 265 ? -20.664 -56.370 12.110 1.00 108.89 ? 283 MET B N 1 ATOM 2151 C CA . MET A 1 265 ? -20.975 -57.673 11.523 1.00 112.71 ? 283 MET B CA 1 ATOM 2152 C C . MET A 1 265 ? -20.795 -58.729 12.608 1.00 113.19 ? 283 MET B C 1 ATOM 2153 O O . MET A 1 265 ? -19.680 -59.206 12.842 1.00 113.58 ? 283 MET B O 1 ATOM 2154 C CB . MET A 1 265 ? -20.088 -57.962 10.316 1.00 114.18 ? 283 MET B CB 1 ATOM 2155 C CG . MET A 1 265 ? -20.446 -57.165 9.074 1.00 113.76 ? 283 MET B CG 1 ATOM 2156 S SD . MET A 1 265 ? -19.318 -57.454 7.695 1.00 114.68 ? 283 MET B SD 1 ATOM 2157 C CE . MET A 1 265 ? -17.897 -56.497 8.213 1.00 110.27 ? 283 MET B CE 1 ATOM 2158 N N . GLN A 1 266 ? -21.888 -59.100 13.259 1.00 113.82 ? 284 GLN B N 1 ATOM 2159 C CA . GLN A 1 266 ? -21.828 -60.078 14.338 1.00 119.01 ? 284 GLN B CA 1 ATOM 2160 C C . GLN A 1 266 ? -21.564 -61.498 13.847 1.00 117.57 ? 284 GLN B C 1 ATOM 2161 O O . GLN A 1 266 ? -21.602 -62.426 14.668 1.00 117.55 ? 284 GLN B O 1 ATOM 2162 C CB . GLN A 1 266 ? -23.124 -60.036 15.148 1.00 131.80 ? 284 GLN B CB 1 ATOM 2163 C CG . GLN A 1 266 ? -23.325 -58.748 15.936 1.00 139.91 ? 284 GLN B CG 1 ATOM 2164 C CD . GLN A 1 266 ? -24.469 -58.847 16.930 1.00 151.06 ? 284 GLN B CD 1 ATOM 2165 O OE1 . GLN A 1 266 ? -25.315 -59.736 16.833 1.00 158.34 ? 284 GLN B OE1 1 ATOM 2166 N NE2 . GLN A 1 266 ? -24.493 -57.937 17.897 1.00 150.89 ? 284 GLN B NE2 1 ATOM 2167 N N . THR A 1 267 ? -21.305 -61.704 12.556 1.00 116.40 ? 285 THR B N 1 ATOM 2168 C CA . THR A 1 267 ? -20.986 -63.030 12.045 1.00 115.67 ? 285 THR B CA 1 ATOM 2169 C C . THR A 1 267 ? -19.494 -63.320 12.078 1.00 114.68 ? 285 THR B C 1 ATOM 2170 O O . THR A 1 267 ? -19.098 -64.475 12.271 1.00 118.08 ? 285 THR B O 1 ATOM 2171 C CB . THR A 1 267 ? -21.495 -63.188 10.608 1.00 111.87 ? 285 THR B CB 1 ATOM 2172 O OG1 . THR A 1 267 ? -22.846 -62.718 10.519 1.00 110.81 ? 285 THR B OG1 1 ATOM 2173 C CG2 . THR A 1 267 ? -21.448 -64.650 10.181 1.00 110.85 ? 285 THR B CG2 1 ATOM 2174 N N . ALA A 1 268 ? -18.656 -62.298 11.901 1.00 110.46 ? 286 ALA B N 1 ATOM 2175 C CA . ALA A 1 268 ? -17.210 -62.466 11.876 1.00 109.55 ? 286 ALA B CA 1 ATOM 2176 C C . ALA A 1 268 ? -16.561 -62.137 13.216 1.00 109.77 ? 286 ALA B C 1 ATOM 2177 O O . ALA A 1 268 ? -15.435 -61.631 13.249 1.00 113.01 ? 286 ALA B O 1 ATOM 2178 C CB . ALA A 1 268 ? -16.599 -61.613 10.765 1.00 105.85 ? 286 ALA B CB 1 ATOM 2179 N N . MET A 1 269 ? -17.242 -62.420 14.327 1.00 108.79 ? 287 MET B N 1 ATOM 2180 C CA . MET A 1 269 ? -16.670 -62.166 15.646 1.00 108.88 ? 287 MET B CA 1 ATOM 2181 C C . MET A 1 269 ? -15.704 -63.267 16.052 1.00 105.53 ? 287 MET B C 1 ATOM 2182 O O . MET A 1 269 ? -15.797 -63.790 17.167 1.00 112.78 ? 287 MET B O 1 ATOM 2183 C CB . MET A 1 269 ? -17.765 -62.046 16.710 1.00 119.46 ? 287 MET B CB 1 ATOM 2184 C CG . MET A 1 269 ? -18.473 -60.707 16.751 1.00 127.61 ? 287 MET B CG 1 ATOM 2185 S SD . MET A 1 269 ? -19.301 -60.430 18.332 1.00 133.94 ? 287 MET B SD 1 ATOM 2186 C CE . MET A 1 269 ? -20.004 -58.802 18.074 1.00 129.24 ? 287 MET B CE 1 ATOM 2187 N N . GLN A 1 270 ? -14.774 -63.625 15.171 1.00 100.88 ? 288 GLN B N 1 ATOM 2188 C CA . GLN A 1 270 ? -13.910 -64.764 15.442 1.00 99.69 ? 288 GLN B CA 1 ATOM 2189 C C . GLN A 1 270 ? -12.973 -64.469 16.608 1.00 94.44 ? 288 GLN B C 1 ATOM 2190 O O . GLN A 1 270 ? -12.536 -63.331 16.808 1.00 88.55 ? 288 GLN B O 1 ATOM 2191 C CB . GLN A 1 270 ? -13.114 -65.146 14.193 1.00 95.01 ? 288 GLN B CB 1 ATOM 2192 C CG . GLN A 1 270 ? -12.485 -63.983 13.456 1.00 89.33 ? 288 GLN B CG 1 ATOM 2193 C CD . GLN A 1 270 ? -11.753 -64.431 12.207 1.00 90.68 ? 288 GLN B CD 1 ATOM 2194 O OE1 . GLN A 1 270 ? -10.964 -65.375 12.242 1.00 85.08 ? 288 GLN B OE1 1 ATOM 2195 N NE2 . GLN A 1 270 ? -12.022 -63.762 11.091 1.00 88.19 ? 288 GLN B NE2 1 ATOM 2196 N N . ASN A 1 271 ? -12.684 -65.508 17.388 1.00 93.06 ? 289 ASN B N 1 ATOM 2197 C CA . ASN A 1 271 ? -11.866 -65.409 18.587 1.00 89.88 ? 289 ASN B CA 1 ATOM 2198 C C . ASN A 1 271 ? -10.679 -66.354 18.478 1.00 90.79 ? 289 ASN B C 1 ATOM 2199 O O . ASN A 1 271 ? -10.822 -67.494 18.024 1.00 90.59 ? 289 ASN B O 1 ATOM 2200 C CB . ASN A 1 271 ? -12.693 -65.733 19.835 1.00 92.99 ? 289 ASN B CB 1 ATOM 2201 C CG . ASN A 1 271 ? -11.865 -66.365 20.934 1.00 98.18 ? 289 ASN B CG 1 ATOM 2202 O OD1 . ASN A 1 271 ? -11.940 -67.571 21.168 1.00 98.26 ? 289 ASN B OD1 1 ATOM 2203 N ND2 . ASN A 1 271 ? -11.065 -65.552 21.614 1.00 101.43 ? 289 ASN B ND2 1 ATOM 2204 N N . THR A 1 272 ? -9.506 -65.876 18.895 1.00 92.01 ? 290 THR B N 1 ATOM 2205 C CA . THR A 1 272 ? -8.282 -66.663 18.841 1.00 85.52 ? 290 THR B CA 1 ATOM 2206 C C . THR A 1 272 ? -7.484 -66.425 20.117 1.00 93.24 ? 290 THR B C 1 ATOM 2207 O O . THR A 1 272 ? -7.899 -65.674 21.005 1.00 82.70 ? 290 THR B O 1 ATOM 2208 C CB . THR A 1 272 ? -7.448 -66.322 17.600 1.00 84.94 ? 290 THR B CB 1 ATOM 2209 O OG1 . THR A 1 272 ? -6.243 -67.097 17.602 1.00 86.73 ? 290 THR B OG1 1 ATOM 2210 C CG2 . THR A 1 272 ? -7.094 -64.843 17.584 1.00 81.47 ? 290 THR B CG2 1 ATOM 2211 N N . MET A 1 273 ? -6.326 -67.072 20.205 1.00 90.86 ? 291 MET B N 1 ATOM 2212 C CA . MET A 1 273 ? -5.471 -67.010 21.381 1.00 87.77 ? 291 MET B CA 1 ATOM 2213 C C . MET A 1 273 ? -4.185 -66.271 21.047 1.00 84.16 ? 291 MET B C 1 ATOM 2214 O O . MET A 1 273 ? -3.534 -66.571 20.042 1.00 84.91 ? 291 MET B O 1 ATOM 2215 C CB . MET A 1 273 ? -5.147 -68.414 21.895 1.00 95.37 ? 291 MET B CB 1 ATOM 2216 C CG . MET A 1 273 ? -6.285 -69.088 22.642 1.00 104.73 ? 291 MET B CG 1 ATOM 2217 S SD . MET A 1 273 ? -6.504 -68.457 24.319 1.00 111.02 ? 291 MET B SD 1 ATOM 2218 C CE . MET A 1 273 ? -4.907 -68.813 25.052 1.00 110.43 ? 291 MET B CE 1 ATOM 2219 N N . LEU A 1 274 ? -3.827 -65.304 21.886 1.00 81.54 ? 292 LEU B N 1 ATOM 2220 C CA . LEU A 1 274 ? -2.541 -64.626 21.779 1.00 80.22 ? 292 LEU B CA 1 ATOM 2221 C C . LEU A 1 274 ? -1.500 -65.498 22.469 1.00 96.50 ? 292 LEU B C 1 ATOM 2222 O O . LEU A 1 274 ? -1.554 -65.695 23.688 1.00 97.55 ? 292 LEU B O 1 ATOM 2223 C CB . LEU A 1 274 ? -2.624 -63.237 22.407 1.00 77.08 ? 292 LEU B CB 1 ATOM 2224 C CG . LEU A 1 274 ? -1.547 -62.179 22.149 1.00 75.12 ? 292 LEU B CG 1 ATOM 2225 C CD1 . LEU A 1 274 ? -0.301 -62.414 22.988 1.00 87.18 ? 292 LEU B CD1 1 ATOM 2226 C CD2 . LEU A 1 274 ? -1.199 -62.139 20.680 1.00 75.42 ? 292 LEU B CD2 1 ATOM 2227 N N . ILE A 1 275 ? -0.562 -66.034 21.693 1.00 95.91 ? 293 ILE B N 1 ATOM 2228 C CA . ILE A 1 275 ? 0.450 -66.956 22.197 1.00 94.21 ? 293 ILE B CA 1 ATOM 2229 C C . ILE A 1 275 ? 1.823 -66.376 21.898 1.00 95.30 ? 293 ILE B C 1 ATOM 2230 O O . ILE A 1 275 ? 2.146 -66.099 20.737 1.00 97.69 ? 293 ILE B O 1 ATOM 2231 C CB . ILE A 1 275 ? 0.308 -68.355 21.583 1.00 96.02 ? 293 ILE B CB 1 ATOM 2232 C CG1 . ILE A 1 275 ? -1.044 -68.964 21.957 1.00 98.13 ? 293 ILE B CG1 1 ATOM 2233 C CG2 . ILE A 1 275 ? 1.451 -69.243 22.040 1.00 92.01 ? 293 ILE B CG2 1 ATOM 2234 C CD1 . ILE A 1 275 ? -1.256 -70.362 21.419 1.00 103.59 ? 293 ILE B CD1 1 ATOM 2235 N N . ASN A 1 276 ? 2.626 -66.196 22.947 1.00 98.39 ? 294 ASN B N 1 ATOM 2236 C CA . ASN A 1 276 ? 4.010 -65.734 22.832 1.00 101.81 ? 294 ASN B CA 1 ATOM 2237 C C . ASN A 1 276 ? 4.105 -64.379 22.132 1.00 99.68 ? 294 ASN B C 1 ATOM 2238 O O . ASN A 1 276 ? 5.120 -64.059 21.511 1.00 102.18 ? 294 ASN B O 1 ATOM 2239 C CB . ASN A 1 276 ? 4.882 -66.773 22.118 1.00 111.22 ? 294 ASN B CB 1 ATOM 2240 C CG . ASN A 1 276 ? 6.337 -66.708 22.545 1.00 116.09 ? 294 ASN B CG 1 ATOM 2241 O OD1 . ASN A 1 276 ? 6.668 -66.127 23.579 1.00 115.92 ? 294 ASN B OD1 1 ATOM 2242 N ND2 . ASN A 1 276 ? 7.213 -67.312 21.750 1.00 119.43 ? 294 ASN B ND2 1 ATOM 2243 N N . GLY A 1 277 ? 3.049 -63.574 22.221 1.00 95.26 ? 295 GLY B N 1 ATOM 2244 C CA . GLY A 1 277 ? 3.064 -62.209 21.744 1.00 90.57 ? 295 GLY B CA 1 ATOM 2245 C C . GLY A 1 277 ? 2.318 -61.975 20.447 1.00 87.49 ? 295 GLY B C 1 ATOM 2246 O O . GLY A 1 277 ? 1.940 -60.828 20.171 1.00 81.88 ? 295 GLY B O 1 ATOM 2247 N N . ILE A 1 278 ? 2.092 -63.012 19.643 1.00 87.80 ? 296 ILE B N 1 ATOM 2248 C CA . ILE A 1 278 ? 1.539 -62.852 18.303 1.00 89.43 ? 296 ILE B CA 1 ATOM 2249 C C . ILE A 1 278 ? 0.341 -63.775 18.131 1.00 86.69 ? 296 ILE B C 1 ATOM 2250 O O . ILE A 1 278 ? 0.360 -64.928 18.575 1.00 88.63 ? 296 ILE B O 1 ATOM 2251 C CB . ILE A 1 278 ? 2.597 -63.131 17.210 1.00 94.48 ? 296 ILE B CB 1 ATOM 2252 C CG1 . ILE A 1 278 ? 3.830 -62.246 17.406 1.00 98.49 ? 296 ILE B CG1 1 ATOM 2253 C CG2 . ILE A 1 278 ? 2.017 -62.901 15.824 1.00 91.67 ? 296 ILE B CG2 1 ATOM 2254 C CD1 . ILE A 1 278 ? 4.886 -62.415 16.326 1.00 101.07 ? 296 ILE B CD1 1 ATOM 2255 N N . ALA A 1 279 ? -0.707 -63.253 17.499 1.00 78.88 ? 297 ALA B N 1 ATOM 2256 C CA . ALA A 1 279 ? -1.848 -64.025 17.035 1.00 80.39 ? 297 ALA B CA 1 ATOM 2257 C C . ALA A 1 279 ? -2.153 -63.610 15.602 1.00 79.92 ? 297 ALA B C 1 ATOM 2258 O O . ALA A 1 279 ? -1.766 -62.528 15.159 1.00 85.78 ? 297 ALA B O 1 ATOM 2259 C CB . ALA A 1 279 ? -3.081 -63.817 17.924 1.00 79.33 ? 297 ALA B CB 1 ATOM 2260 N N . GLN A 1 280 ? -2.841 -64.479 14.867 1.00 88.41 ? 298 GLN B N 1 ATOM 2261 C CA . GLN A 1 280 ? -3.153 -64.192 13.474 1.00 88.80 ? 298 GLN B CA 1 ATOM 2262 C C . GLN A 1 280 ? -4.531 -64.722 13.121 1.00 85.98 ? 298 GLN B C 1 ATOM 2263 O O . GLN A 1 280 ? -4.934 -65.788 13.595 1.00 86.92 ? 298 GLN B O 1 ATOM 2264 C CB . GLN A 1 280 ? -2.114 -64.801 12.525 1.00 96.68 ? 298 GLN B CB 1 ATOM 2265 C CG . GLN A 1 280 ? -0.829 -64.007 12.424 1.00 102.97 ? 298 GLN B CG 1 ATOM 2266 C CD . GLN A 1 280 ? -0.001 -64.399 11.220 1.00 110.44 ? 298 GLN B CD 1 ATOM 2267 O OE1 . GLN A 1 280 ? -0.427 -65.208 10.396 1.00 114.04 ? 298 GLN B OE1 1 ATOM 2268 N NE2 . GLN A 1 280 ? 1.190 -63.824 11.111 1.00 112.16 ? 298 GLN B NE2 1 ATOM 2269 N N . VAL A 1 281 ? -5.248 -63.969 12.284 1.00 83.76 ? 299 VAL B N 1 ATOM 2270 C CA . VAL A 1 281 ? -6.529 -64.400 11.738 1.00 82.65 ? 299 VAL B CA 1 ATOM 2271 C C . VAL A 1 281 ? -6.588 -64.012 10.269 1.00 92.78 ? 299 VAL B C 1 ATOM 2272 O O . VAL A 1 281 ? -5.807 -63.191 9.786 1.00 90.02 ? 299 VAL B O 1 ATOM 2273 C CB . VAL A 1 281 ? -7.737 -63.792 12.479 1.00 80.87 ? 299 VAL B CB 1 ATOM 2274 C CG1 . VAL A 1 281 ? -7.794 -64.286 13.907 1.00 81.44 ? 299 VAL B CG1 1 ATOM 2275 C CG2 . VAL A 1 281 ? -7.663 -62.283 12.431 1.00 77.49 ? 299 VAL B CG2 1 ATOM 2276 N N . THR A 1 282 ? -7.538 -64.613 9.560 1.00 92.49 ? 300 THR B N 1 ATOM 2277 C CA . THR A 1 282 ? -7.814 -64.270 8.173 1.00 94.77 ? 300 THR B CA 1 ATOM 2278 C C . THR A 1 282 ? -9.283 -63.909 8.052 1.00 92.48 ? 300 THR B C 1 ATOM 2279 O O . THR A 1 282 ? -10.147 -64.619 8.578 1.00 84.83 ? 300 THR B O 1 ATOM 2280 C CB . THR A 1 282 ? -7.464 -65.420 7.224 1.00 97.55 ? 300 THR B CB 1 ATOM 2281 O OG1 . THR A 1 282 ? -8.135 -66.611 7.651 1.00 100.47 ? 300 THR B OG1 1 ATOM 2282 C CG2 . THR A 1 282 ? -5.961 -65.661 7.211 1.00 99.39 ? 300 THR B CG2 1 ATOM 2283 N N . PHE A 1 283 ? -9.561 -62.806 7.370 1.00 90.20 ? 301 PHE B N 1 ATOM 2284 C CA . PHE A 1 283 ? -10.912 -62.290 7.209 1.00 91.02 ? 301 PHE B CA 1 ATOM 2285 C C . PHE A 1 283 ? -11.374 -62.558 5.783 1.00 95.83 ? 301 PHE B C 1 ATOM 2286 O O . PHE A 1 283 ? -10.779 -62.045 4.827 1.00 95.15 ? 301 PHE B O 1 ATOM 2287 C CB . PHE A 1 283 ? -10.959 -60.797 7.529 1.00 87.51 ? 301 PHE B CB 1 ATOM 2288 C CG . PHE A 1 283 ? -12.326 -60.193 7.413 1.00 89.37 ? 301 PHE B CG 1 ATOM 2289 C CD1 . PHE A 1 283 ? -13.300 -60.466 8.357 1.00 89.88 ? 301 PHE B CD1 1 ATOM 2290 C CD2 . PHE A 1 283 ? -12.635 -59.340 6.365 1.00 89.85 ? 301 PHE B CD2 1 ATOM 2291 C CE1 . PHE A 1 283 ? -14.559 -59.908 8.253 1.00 90.41 ? 301 PHE B CE1 1 ATOM 2292 C CE2 . PHE A 1 283 ? -13.892 -58.779 6.257 1.00 89.56 ? 301 PHE B CE2 1 ATOM 2293 C CZ . PHE A 1 283 ? -14.853 -59.061 7.203 1.00 89.35 ? 301 PHE B CZ 1 ATOM 2294 N N . ASP A 1 284 ? -12.417 -63.377 5.644 1.00 101.05 ? 302 ASP B N 1 ATOM 2295 C CA . ASP A 1 284 ? -13.044 -63.641 4.350 1.00 106.24 ? 302 ASP B CA 1 ATOM 2296 C C . ASP A 1 284 ? -14.022 -62.509 4.075 1.00 107.05 ? 302 ASP B C 1 ATOM 2297 O O . ASP A 1 284 ? -15.149 -62.511 4.576 1.00 106.90 ? 302 ASP B O 1 ATOM 2298 C CB . ASP A 1 284 ? -13.746 -64.994 4.352 1.00 112.14 ? 302 ASP B CB 1 ATOM 2299 C CG . ASP A 1 284 ? -14.127 -65.465 2.954 1.00 115.27 ? 302 ASP B CG 1 ATOM 2300 O OD1 . ASP A 1 284 ? -14.409 -64.617 2.079 1.00 112.01 ? 302 ASP B OD1 1 ATOM 2301 O OD2 . ASP A 1 284 ? -14.143 -66.694 2.731 1.00 118.54 ? 302 ASP B OD2 1 ATOM 2302 N N . SER A 1 285 ? -13.590 -61.534 3.274 1.00 107.20 ? 303 SER B N 1 ATOM 2303 C CA . SER A 1 285 ? -14.415 -60.356 3.038 1.00 108.44 ? 303 SER B CA 1 ATOM 2304 C C . SER A 1 285 ? -15.741 -60.733 2.391 1.00 111.76 ? 303 SER B C 1 ATOM 2305 O O . SER A 1 285 ? -16.804 -60.310 2.851 1.00 111.47 ? 303 SER B O 1 ATOM 2306 C CB . SER A 1 285 ? -13.658 -59.345 2.176 1.00 109.79 ? 303 SER B CB 1 ATOM 2307 O OG . SER A 1 285 ? -12.480 -58.907 2.828 1.00 109.73 ? 303 SER B OG 1 ATOM 2308 N N . GLU A 1 286 ? -15.698 -61.552 1.337 1.00 115.15 ? 304 GLU B N 1 ATOM 2309 C CA . GLU A 1 286 ? -16.907 -61.882 0.585 1.00 117.70 ? 304 GLU B CA 1 ATOM 2310 C C . GLU A 1 286 ? -18.002 -62.443 1.487 1.00 115.69 ? 304 GLU B C 1 ATOM 2311 O O . GLU A 1 286 ? -19.142 -61.960 1.479 1.00 116.21 ? 304 GLU B O 1 ATOM 2312 C CB . GLU A 1 286 ? -16.568 -62.878 -0.524 1.00 125.70 ? 304 GLU B CB 1 ATOM 2313 C CG . GLU A 1 286 ? -17.776 -63.433 -1.256 1.00 133.62 ? 304 GLU B CG 1 ATOM 2314 C CD . GLU A 1 286 ? -17.395 -64.488 -2.273 1.00 141.02 ? 304 GLU B CD 1 ATOM 2315 O OE1 . GLU A 1 286 ? -16.187 -64.624 -2.554 1.00 143.10 ? 304 GLU B OE1 1 ATOM 2316 O OE2 . GLU A 1 286 ? -18.297 -65.184 -2.786 1.00 146.02 ? 304 GLU B OE2 1 ATOM 2317 N N . THR A 1 287 ? -17.667 -63.463 2.282 1.00 112.05 ? 305 THR B N 1 ATOM 2318 C CA . THR A 1 287 ? -18.674 -64.124 3.106 1.00 108.53 ? 305 THR B CA 1 ATOM 2319 C C . THR A 1 287 ? -19.249 -63.177 4.151 1.00 109.70 ? 305 THR B C 1 ATOM 2320 O O . THR A 1 287 ? -20.467 -63.143 4.365 1.00 108.53 ? 305 THR B O 1 ATOM 2321 C CB . THR A 1 287 ? -18.074 -65.357 3.781 1.00 104.80 ? 305 THR B CB 1 ATOM 2322 O OG1 . THR A 1 287 ? -17.453 -66.189 2.794 1.00 107.62 ? 305 THR B OG1 1 ATOM 2323 C CG2 . THR A 1 287 ? -19.157 -66.152 4.499 1.00 102.64 ? 305 THR B CG2 1 ATOM 2324 N N . ALA A 1 288 ? -18.392 -62.396 4.812 1.00 113.62 ? 306 ALA B N 1 ATOM 2325 C CA . ALA A 1 288 ? -18.871 -61.519 5.874 1.00 118.86 ? 306 ALA B CA 1 ATOM 2326 C C . ALA A 1 288 ? -19.680 -60.354 5.325 1.00 128.25 ? 306 ALA B C 1 ATOM 2327 O O . ALA A 1 288 ? -20.636 -59.909 5.969 1.00 126.64 ? 306 ALA B O 1 ATOM 2328 C CB . ALA A 1 288 ? -17.697 -60.999 6.701 1.00 115.30 ? 306 ALA B CB 1 ATOM 2329 N N . VAL A 1 289 ? -19.312 -59.840 4.146 1.00 137.18 ? 307 VAL B N 1 ATOM 2330 C CA . VAL A 1 289 ? -20.063 -58.754 3.528 1.00 141.71 ? 307 VAL B CA 1 ATOM 2331 C C . VAL A 1 289 ? -21.245 -59.257 2.719 1.00 147.81 ? 307 VAL B C 1 ATOM 2332 O O . VAL A 1 289 ? -21.964 -58.443 2.126 1.00 151.84 ? 307 VAL B O 1 ATOM 2333 C CB . VAL A 1 289 ? -19.173 -57.870 2.629 1.00 139.96 ? 307 VAL B CB 1 ATOM 2334 C CG1 . VAL A 1 289 ? -17.921 -57.434 3.380 1.00 141.22 ? 307 VAL B CG1 1 ATOM 2335 C CG2 . VAL A 1 289 ? -18.834 -58.585 1.325 1.00 143.89 ? 307 VAL B CG2 1 ATOM 2336 N N . LYS A 1 290 ? -21.463 -60.575 2.654 1.00 138.92 ? 308 LYS B N 1 ATOM 2337 C CA . LYS A 1 290 ? -22.779 -61.057 2.246 1.00 127.08 ? 308 LYS B CA 1 ATOM 2338 C C . LYS A 1 290 ? -23.832 -60.671 3.276 1.00 119.90 ? 308 LYS B C 1 ATOM 2339 O O . LYS A 1 290 ? -25.014 -60.537 2.941 1.00 120.19 ? 308 LYS B O 1 ATOM 2340 C CB . LYS A 1 290 ? -22.754 -62.573 2.036 1.00 124.45 ? 308 LYS B CB 1 ATOM 2341 C CG . LYS A 1 290 ? -23.714 -63.064 0.959 1.00 119.60 ? 308 LYS B CG 1 ATOM 2342 C CD . LYS A 1 290 ? -23.519 -64.545 0.663 1.00 117.44 ? 308 LYS B CD 1 ATOM 2343 C CE . LYS A 1 290 ? -24.246 -64.953 -0.613 1.00 116.08 ? 308 LYS B CE 1 ATOM 2344 N NZ . LYS A 1 290 ? -25.711 -64.684 -0.551 1.00 114.10 ? 308 LYS B NZ 1 ATOM 2345 N N . GLU A 1 291 ? -23.421 -60.502 4.530 1.00 115.01 ? 309 GLU B N 1 ATOM 2346 C CA . GLU A 1 291 ? -24.246 -59.848 5.533 1.00 112.99 ? 309 GLU B CA 1 ATOM 2347 C C . GLU A 1 291 ? -24.284 -58.347 5.256 1.00 110.33 ? 309 GLU B C 1 ATOM 2348 O O . GLU A 1 291 ? -23.383 -57.791 4.622 1.00 106.30 ? 309 GLU B O 1 ATOM 2349 C CB . GLU A 1 291 ? -23.687 -60.135 6.930 1.00 114.55 ? 309 GLU B CB 1 ATOM 2350 C CG . GLU A 1 291 ? -24.469 -59.564 8.102 1.00 116.56 ? 309 GLU B CG 1 ATOM 2351 C CD . GLU A 1 291 ? -23.739 -59.744 9.425 1.00 119.00 ? 309 GLU B CD 1 ATOM 2352 O OE1 . GLU A 1 291 ? -22.646 -60.349 9.432 1.00 118.65 ? 309 GLU B OE1 1 ATOM 2353 O OE2 . GLU A 1 291 ? -24.257 -59.278 10.462 1.00 119.67 ? 309 GLU B OE2 1 ATOM 2354 N N . LEU A 1 292 ? -25.347 -57.693 5.730 1.00 115.56 ? 310 LEU B N 1 ATOM 2355 C CA . LEU A 1 292 ? -25.557 -56.259 5.504 1.00 121.34 ? 310 LEU B CA 1 ATOM 2356 C C . LEU A 1 292 ? -25.648 -55.940 4.012 1.00 127.95 ? 310 LEU B C 1 ATOM 2357 O O . LEU A 1 292 ? -25.146 -54.914 3.548 1.00 128.03 ? 310 LEU B O 1 ATOM 2358 C CB . LEU A 1 292 ? -24.464 -55.414 6.169 1.00 120.54 ? 310 LEU B CB 1 ATOM 2359 C CG . LEU A 1 292 ? -24.255 -55.517 7.681 1.00 121.57 ? 310 LEU B CG 1 ATOM 2360 C CD1 . LEU A 1 292 ? -23.082 -54.648 8.112 1.00 116.53 ? 310 LEU B CD1 1 ATOM 2361 C CD2 . LEU A 1 292 ? -25.516 -55.128 8.436 1.00 123.24 ? 310 LEU B CD2 1 ATOM 2362 N N . SER A 1 293 ? -26.291 -56.832 3.260 1.00 134.68 ? 311 SER B N 1 ATOM 2363 C CA . SER A 1 293 ? -26.514 -56.691 1.810 1.00 137.64 ? 311 SER B CA 1 ATOM 2364 C C . SER A 1 293 ? -25.150 -56.690 1.119 1.00 137.55 ? 311 SER B C 1 ATOM 2365 O O . SER A 1 293 ? -24.371 -57.631 1.337 1.00 138.41 ? 311 SER B O 1 ATOM 2366 C CB . SER A 1 293 ? -27.394 -55.474 1.543 1.00 135.97 ? 311 SER B CB 1 ATOM 2367 O OG . SER A 1 293 ? -28.707 -55.676 2.040 1.00 136.81 ? 311 SER B OG 1 ATOM 2368 N N . TYR A 1 294 ? -24.839 -55.705 0.272 1.00 135.77 ? 312 TYR B N 1 ATOM 2369 C CA . TYR A 1 294 ? -23.546 -55.577 -0.401 1.00 132.82 ? 312 TYR B CA 1 ATOM 2370 C C . TYR A 1 294 ? -23.244 -56.753 -1.328 1.00 133.37 ? 312 TYR B C 1 ATOM 2371 O O . TYR A 1 294 ? -23.173 -56.574 -2.549 1.00 135.77 ? 312 TYR B O 1 ATOM 2372 C CB . TYR A 1 294 ? -22.430 -55.390 0.631 1.00 128.73 ? 312 TYR B CB 1 ATOM 2373 C CG . TYR A 1 294 ? -22.567 -54.105 1.417 1.00 125.19 ? 312 TYR B CG 1 ATOM 2374 C CD1 . TYR A 1 294 ? -23.069 -52.954 0.819 1.00 120.82 ? 312 TYR B CD1 1 ATOM 2375 C CD2 . TYR A 1 294 ? -22.212 -54.044 2.759 1.00 126.55 ? 312 TYR B CD2 1 ATOM 2376 C CE1 . TYR A 1 294 ? -23.204 -51.777 1.532 1.00 118.50 ? 312 TYR B CE1 1 ATOM 2377 C CE2 . TYR A 1 294 ? -22.344 -52.870 3.482 1.00 124.00 ? 312 TYR B CE2 1 ATOM 2378 C CZ . TYR A 1 294 ? -22.841 -51.740 2.863 1.00 119.54 ? 312 TYR B CZ 1 ATOM 2379 O OH . TYR A 1 294 ? -22.972 -50.572 3.579 1.00 115.10 ? 312 TYR B OH 1 ATOM 2380 N N . TYR A 1 295 ? -23.036 -57.945 -0.765 1.00 131.46 ? 313 TYR B N 1 ATOM 2381 C CA . TYR A 1 295 ? -22.878 -59.180 -1.533 1.00 132.29 ? 313 TYR B CA 1 ATOM 2382 C C . TYR A 1 295 ? -21.623 -59.207 -2.402 1.00 131.60 ? 313 TYR B C 1 ATOM 2383 O O . TYR A 1 295 ? -20.817 -60.137 -2.298 1.00 134.70 ? 313 TYR B O 1 ATOM 2384 C CB . TYR A 1 295 ? -24.111 -59.432 -2.411 1.00 132.48 ? 313 TYR B CB 1 ATOM 2385 C CG . TYR A 1 295 ? -25.415 -59.450 -1.646 1.00 133.66 ? 313 TYR B CG 1 ATOM 2386 C CD1 . TYR A 1 295 ? -25.777 -60.549 -0.877 1.00 138.06 ? 313 TYR B CD1 1 ATOM 2387 C CD2 . TYR A 1 295 ? -26.285 -58.369 -1.694 1.00 130.30 ? 313 TYR B CD2 1 ATOM 2388 C CE1 . TYR A 1 295 ? -26.969 -60.570 -0.172 1.00 139.25 ? 313 TYR B CE1 1 ATOM 2389 C CE2 . TYR A 1 295 ? -27.480 -58.381 -0.997 1.00 132.49 ? 313 TYR B CE2 1 ATOM 2390 C CZ . TYR A 1 295 ? -27.816 -59.482 -0.235 1.00 137.78 ? 313 TYR B CZ 1 ATOM 2391 O OH . TYR A 1 295 ? -29.003 -59.498 0.463 1.00 140.07 ? 313 TYR B OH 1 ATOM 2392 N N . SER A 1 296 ? -21.449 -58.210 -3.264 1.00 128.03 ? 314 SER B N 1 ATOM 2393 C CA . SER A 1 296 ? -20.425 -58.233 -4.298 1.00 126.27 ? 314 SER B CA 1 ATOM 2394 C C . SER A 1 296 ? -19.305 -57.242 -4.001 1.00 123.99 ? 314 SER B C 1 ATOM 2395 O O . SER A 1 296 ? -19.426 -56.347 -3.159 1.00 121.41 ? 314 SER B O 1 ATOM 2396 C CB . SER A 1 296 ? -21.037 -57.922 -5.667 1.00 126.04 ? 314 SER B CB 1 ATOM 2397 O OG . SER A 1 296 ? -21.514 -56.588 -5.706 1.00 122.03 ? 314 SER B OG 1 ATOM 2398 N N . LEU A 1 297 ? -18.199 -57.415 -4.730 1.00 123.87 ? 315 LEU B N 1 ATOM 2399 C CA . LEU A 1 297 ? -17.065 -56.505 -4.635 1.00 120.51 ? 315 LEU B CA 1 ATOM 2400 C C . LEU A 1 297 ? -17.253 -55.255 -5.480 1.00 121.17 ? 315 LEU B C 1 ATOM 2401 O O . LEU A 1 297 ? -16.544 -54.264 -5.270 1.00 118.65 ? 315 LEU B O 1 ATOM 2402 C CB . LEU A 1 297 ? -15.780 -57.230 -5.050 1.00 119.12 ? 315 LEU B CB 1 ATOM 2403 C CG . LEU A 1 297 ? -14.455 -56.460 -5.116 1.00 112.21 ? 315 LEU B CG 1 ATOM 2404 C CD1 . LEU A 1 297 ? -14.156 -55.736 -3.806 1.00 104.63 ? 315 LEU B CD1 1 ATOM 2405 C CD2 . LEU A 1 297 ? -13.318 -57.396 -5.495 1.00 115.97 ? 315 LEU B CD2 1 ATOM 2406 N N . GLU A 1 298 ? -18.184 -55.280 -6.440 1.00 124.25 ? 316 GLU B N 1 ATOM 2407 C CA . GLU A 1 298 ? -18.527 -54.058 -7.158 1.00 124.29 ? 316 GLU B CA 1 ATOM 2408 C C . GLU A 1 298 ? -18.994 -52.986 -6.182 1.00 117.71 ? 316 GLU B C 1 ATOM 2409 O O . GLU A 1 298 ? -18.703 -51.798 -6.362 1.00 116.35 ? 316 GLU B O 1 ATOM 2410 C CB . GLU A 1 298 ? -19.599 -54.346 -8.211 1.00 129.78 ? 316 GLU B CB 1 ATOM 2411 C CG . GLU A 1 298 ? -19.354 -53.725 -9.589 1.00 131.80 ? 316 GLU B CG 1 ATOM 2412 C CD . GLU A 1 298 ? -19.622 -52.229 -9.630 1.00 129.99 ? 316 GLU B CD 1 ATOM 2413 O OE1 . GLU A 1 298 ? -18.701 -51.463 -9.987 1.00 128.43 ? 316 GLU B OE1 1 ATOM 2414 O OE2 . GLU A 1 298 ? -20.755 -51.819 -9.303 1.00 129.49 ? 316 GLU B OE2 1 ATOM 2415 N N . ASP A 1 299 ? -19.694 -53.393 -5.128 1.00 112.76 ? 317 ASP B N 1 ATOM 2416 C CA . ASP A 1 299 ? -20.039 -52.495 -4.037 1.00 108.89 ? 317 ASP B CA 1 ATOM 2417 C C . ASP A 1 299 ? -18.830 -52.368 -3.115 1.00 107.96 ? 317 ASP B C 1 ATOM 2418 O O . ASP A 1 299 ? -17.713 -52.756 -3.464 1.00 110.63 ? 317 ASP B O 1 ATOM 2419 C CB . ASP A 1 299 ? -21.277 -53.002 -3.308 1.00 111.79 ? 317 ASP B CB 1 ATOM 2420 C CG . ASP A 1 299 ? -22.369 -53.443 -4.261 1.00 115.81 ? 317 ASP B CG 1 ATOM 2421 O OD1 . ASP A 1 299 ? -22.306 -53.070 -5.452 1.00 119.93 ? 317 ASP B OD1 1 ATOM 2422 O OD2 . ASP A 1 299 ? -23.292 -54.158 -3.822 1.00 115.42 ? 317 ASP B OD2 1 ATOM 2423 N N . LEU A 1 300 ? -19.042 -51.802 -1.927 1.00 103.71 ? 318 LEU B N 1 ATOM 2424 C CA . LEU A 1 300 ? -17.992 -51.617 -0.928 1.00 99.02 ? 318 LEU B CA 1 ATOM 2425 C C . LEU A 1 300 ? -16.849 -50.734 -1.424 1.00 97.41 ? 318 LEU B C 1 ATOM 2426 O O . LEU A 1 300 ? -15.969 -50.371 -0.639 1.00 100.21 ? 318 LEU B O 1 ATOM 2427 C CB . LEU A 1 300 ? -17.428 -52.968 -0.471 1.00 98.24 ? 318 LEU B CB 1 ATOM 2428 C CG . LEU A 1 300 ? -18.329 -53.949 0.277 1.00 95.18 ? 318 LEU B CG 1 ATOM 2429 C CD1 . LEU A 1 300 ? -17.564 -55.227 0.564 1.00 92.33 ? 318 LEU B CD1 1 ATOM 2430 C CD2 . LEU A 1 300 ? -18.832 -53.334 1.566 1.00 93.21 ? 318 LEU B CD2 1 ATOM 2431 N N . ASN A 1 301 ? -16.845 -50.386 -2.711 1.00 94.23 ? 319 ASN B N 1 ATOM 2432 C CA . ASN A 1 301 ? -15.755 -49.593 -3.263 1.00 90.55 ? 319 ASN B CA 1 ATOM 2433 C C . ASN A 1 301 ? -15.727 -48.222 -2.602 1.00 87.71 ? 319 ASN B C 1 ATOM 2434 O O . ASN A 1 301 ? -16.766 -47.576 -2.437 1.00 84.76 ? 319 ASN B O 1 ATOM 2435 C CB . ASN A 1 301 ? -15.905 -49.462 -4.780 1.00 88.08 ? 319 ASN B CB 1 ATOM 2436 C CG . ASN A 1 301 ? -14.672 -48.864 -5.445 1.00 84.57 ? 319 ASN B CG 1 ATOM 2437 O OD1 . ASN A 1 301 ? -13.573 -48.891 -4.892 1.00 82.93 ? 319 ASN B OD1 1 ATOM 2438 N ND2 . ASN A 1 301 ? -14.854 -48.328 -6.647 1.00 83.19 ? 319 ASN B ND2 1 ATOM 2439 N N . ASN A 1 302 ? -14.530 -47.801 -2.193 1.00 87.03 ? 320 ASN B N 1 ATOM 2440 C CA . ASN A 1 302 ? -14.250 -46.586 -1.434 1.00 83.02 ? 320 ASN B CA 1 ATOM 2441 C C . ASN A 1 302 ? -14.833 -46.626 -0.027 1.00 81.04 ? 320 ASN B C 1 ATOM 2442 O O . ASN A 1 302 ? -14.647 -45.665 0.731 1.00 81.19 ? 320 ASN B O 1 ATOM 2443 C CB . ASN A 1 302 ? -14.735 -45.320 -2.154 1.00 82.16 ? 320 ASN B CB 1 ATOM 2444 C CG . ASN A 1 302 ? -14.105 -45.158 -3.521 1.00 83.52 ? 320 ASN B CG 1 ATOM 2445 O OD1 . ASN A 1 302 ? -13.003 -44.626 -3.650 1.00 82.46 ? 320 ASN B OD1 1 ATOM 2446 N ND2 . ASN A 1 302 ? -14.801 -45.626 -4.552 1.00 85.37 ? 320 ASN B ND2 1 ATOM 2447 N N . LYS A 1 303 ? -15.525 -47.696 0.353 1.00 83.05 ? 321 LYS B N 1 ATOM 2448 C CA . LYS A 1 303 ? -15.925 -47.891 1.735 1.00 86.68 ? 321 LYS B CA 1 ATOM 2449 C C . LYS A 1 303 ? -14.769 -48.511 2.520 1.00 86.96 ? 321 LYS B C 1 ATOM 2450 O O . LYS A 1 303 ? -13.770 -48.963 1.956 1.00 90.51 ? 321 LYS B O 1 ATOM 2451 C CB . LYS A 1 303 ? -17.176 -48.765 1.807 1.00 89.17 ? 321 LYS B CB 1 ATOM 2452 C CG . LYS A 1 303 ? -18.194 -48.443 0.723 1.00 91.66 ? 321 LYS B CG 1 ATOM 2453 C CD . LYS A 1 303 ? -19.443 -47.781 1.279 1.00 94.33 ? 321 LYS B CD 1 ATOM 2454 C CE . LYS A 1 303 ? -20.393 -48.806 1.881 1.00 95.98 ? 321 LYS B CE 1 ATOM 2455 N NZ . LYS A 1 303 ? -21.710 -48.207 2.243 1.00 94.20 ? 321 LYS B NZ 1 ATOM 2456 N N . TYR A 1 304 ? -14.907 -48.534 3.840 1.00 82.88 ? 322 TYR B N 1 ATOM 2457 C CA . TYR A 1 304 ? -13.815 -48.942 4.708 1.00 82.79 ? 322 TYR B CA 1 ATOM 2458 C C . TYR A 1 304 ? -14.201 -50.157 5.542 1.00 84.54 ? 322 TYR B C 1 ATOM 2459 O O . TYR A 1 304 ? -15.380 -50.418 5.798 1.00 87.15 ? 322 TYR B O 1 ATOM 2460 C CB . TYR A 1 304 ? -13.389 -47.794 5.628 1.00 80.16 ? 322 TYR B CB 1 ATOM 2461 C CG . TYR A 1 304 ? -12.781 -46.621 4.894 1.00 80.46 ? 322 TYR B CG 1 ATOM 2462 C CD1 . TYR A 1 304 ? -13.581 -45.629 4.339 1.00 75.78 ? 322 TYR B CD1 1 ATOM 2463 C CD2 . TYR A 1 304 ? -11.405 -46.502 4.763 1.00 81.77 ? 322 TYR B CD2 1 ATOM 2464 C CE1 . TYR A 1 304 ? -13.023 -44.553 3.672 1.00 72.47 ? 322 TYR B CE1 1 ATOM 2465 C CE2 . TYR A 1 304 ? -10.840 -45.431 4.099 1.00 77.56 ? 322 TYR B CE2 1 ATOM 2466 C CZ . TYR A 1 304 ? -11.650 -44.461 3.556 1.00 72.64 ? 322 TYR B CZ 1 ATOM 2467 O OH . TYR A 1 304 ? -11.076 -43.397 2.896 1.00 70.37 ? 322 TYR B OH 1 ATOM 2468 N N . LEU A 1 305 ? -13.176 -50.902 5.961 1.00 82.34 ? 323 LEU B N 1 ATOM 2469 C CA . LEU A 1 305 ? -13.322 -52.044 6.858 1.00 79.53 ? 323 LEU B CA 1 ATOM 2470 C C . LEU A 1 305 ? -12.771 -51.645 8.222 1.00 79.43 ? 323 LEU B C 1 ATOM 2471 O O . LEU A 1 305 ? -11.552 -51.545 8.400 1.00 81.29 ? 323 LEU B O 1 ATOM 2472 C CB . LEU A 1 305 ? -12.597 -53.274 6.316 1.00 78.74 ? 323 LEU B CB 1 ATOM 2473 C CG . LEU A 1 305 ? -12.549 -54.487 7.257 1.00 77.98 ? 323 LEU B CG 1 ATOM 2474 C CD1 . LEU A 1 305 ? -13.942 -55.052 7.500 1.00 77.88 ? 323 LEU B CD1 1 ATOM 2475 C CD2 . LEU A 1 305 ? -11.616 -55.570 6.735 1.00 77.07 ? 323 LEU B CD2 1 ATOM 2476 N N . TYR A 1 306 ? -13.669 -51.407 9.175 1.00 75.59 ? 324 TYR B N 1 ATOM 2477 C CA . TYR A 1 306 ? -13.276 -51.099 10.542 1.00 72.88 ? 324 TYR B CA 1 ATOM 2478 C C . TYR A 1 306 ? -12.993 -52.383 11.307 1.00 76.97 ? 324 TYR B C 1 ATOM 2479 O O . TYR A 1 306 ? -13.741 -53.360 11.206 1.00 81.03 ? 324 TYR B O 1 ATOM 2480 C CB . TYR A 1 306 ? -14.374 -50.301 11.245 1.00 70.12 ? 324 TYR B CB 1 ATOM 2481 C CG . TYR A 1 306 ? -14.197 -50.181 12.745 1.00 69.41 ? 324 TYR B CG 1 ATOM 2482 C CD1 . TYR A 1 306 ? -13.308 -49.262 13.290 1.00 71.00 ? 324 TYR B CD1 1 ATOM 2483 C CD2 . TYR A 1 306 ? -14.927 -50.978 13.615 1.00 70.13 ? 324 TYR B CD2 1 ATOM 2484 C CE1 . TYR A 1 306 ? -13.146 -49.145 14.661 1.00 71.77 ? 324 TYR B CE1 1 ATOM 2485 C CE2 . TYR A 1 306 ? -14.773 -50.869 14.988 1.00 72.41 ? 324 TYR B CE2 1 ATOM 2486 C CZ . TYR A 1 306 ? -13.883 -49.952 15.505 1.00 72.06 ? 324 TYR B CZ 1 ATOM 2487 O OH . TYR A 1 306 ? -13.728 -49.842 16.869 1.00 70.37 ? 324 TYR B OH 1 ATOM 2488 N N . ILE A 1 307 ? -11.908 -52.380 12.077 1.00 74.14 ? 325 ILE B N 1 ATOM 2489 C CA . ILE A 1 307 ? -11.483 -53.555 12.829 1.00 73.33 ? 325 ILE B CA 1 ATOM 2490 C C . ILE A 1 307 ? -11.380 -53.176 14.298 1.00 71.49 ? 325 ILE B C 1 ATOM 2491 O O . ILE A 1 307 ? -10.781 -52.150 14.636 1.00 70.75 ? 325 ILE B O 1 ATOM 2492 C CB . ILE A 1 307 ? -10.142 -54.104 12.311 1.00 73.42 ? 325 ILE B CB 1 ATOM 2493 C CG1 . ILE A 1 307 ? -10.239 -54.413 10.818 1.00 73.77 ? 325 ILE B CG1 1 ATOM 2494 C CG2 . ILE A 1 307 ? -9.728 -55.344 13.095 1.00 74.25 ? 325 ILE B CG2 1 ATOM 2495 C CD1 . ILE A 1 307 ? -8.929 -54.826 10.205 1.00 76.86 ? 325 ILE B CD1 1 ATOM 2496 N N . ALA A 1 308 ? -11.966 -53.997 15.167 1.00 71.71 ? 326 ALA B N 1 ATOM 2497 C CA . ALA A 1 308 ? -11.892 -53.783 16.606 1.00 70.24 ? 326 ALA B CA 1 ATOM 2498 C C . ALA A 1 308 ? -11.341 -55.040 17.261 1.00 74.71 ? 326 ALA B C 1 ATOM 2499 O O . ALA A 1 308 ? -11.771 -56.151 16.937 1.00 76.35 ? 326 ALA B O 1 ATOM 2500 C CB . ALA A 1 308 ? -13.263 -53.427 17.191 1.00 67.26 ? 326 ALA B CB 1 ATOM 2501 N N . VAL A 1 309 ? -10.386 -54.865 18.171 1.00 73.80 ? 327 VAL B N 1 ATOM 2502 C CA . VAL A 1 309 ? -9.699 -55.980 18.812 1.00 74.30 ? 327 VAL B CA 1 ATOM 2503 C C . VAL A 1 309 ? -9.652 -55.737 20.311 1.00 71.83 ? 327 VAL B C 1 ATOM 2504 O O . VAL A 1 309 ? -9.285 -54.643 20.757 1.00 69.64 ? 327 VAL B O 1 ATOM 2505 C CB . VAL A 1 309 ? -8.276 -56.170 18.256 1.00 76.59 ? 327 VAL B CB 1 ATOM 2506 C CG1 . VAL A 1 309 ? -7.556 -57.285 19.004 1.00 75.04 ? 327 VAL B CG1 1 ATOM 2507 C CG2 . VAL A 1 309 ? -8.330 -56.471 16.770 1.00 82.02 ? 327 VAL B CG2 1 ATOM 2508 N N . THR A 1 310 ? -10.023 -56.755 21.083 1.00 73.23 ? 328 THR B N 1 ATOM 2509 C CA . THR A 1 310 ? -9.898 -56.749 22.534 1.00 70.20 ? 328 THR B CA 1 ATOM 2510 C C . THR A 1 310 ? -8.986 -57.896 22.943 1.00 69.67 ? 328 THR B C 1 ATOM 2511 O O . THR A 1 310 ? -9.187 -59.037 22.511 1.00 71.97 ? 328 THR B O 1 ATOM 2512 C CB . THR A 1 310 ? -11.261 -56.886 23.217 1.00 69.88 ? 328 THR B CB 1 ATOM 2513 O OG1 . THR A 1 310 ? -12.118 -55.816 22.798 1.00 70.69 ? 328 THR B OG1 1 ATOM 2514 C CG2 . THR A 1 310 ? -11.101 -56.831 24.725 1.00 66.94 ? 328 THR B CG2 1 ATOM 2515 N N . VAL A 1 311 ? -7.984 -57.586 23.763 1.00 67.20 ? 329 VAL B N 1 ATOM 2516 C CA . VAL A 1 311 ? -6.998 -58.557 24.225 1.00 69.38 ? 329 VAL B CA 1 ATOM 2517 C C . VAL A 1 311 ? -7.108 -58.655 25.738 1.00 71.73 ? 329 VAL B C 1 ATOM 2518 O O . VAL A 1 311 ? -6.960 -57.649 26.443 1.00 75.42 ? 329 VAL B O 1 ATOM 2519 C CB . VAL A 1 311 ? -5.572 -58.169 23.806 1.00 66.72 ? 329 VAL B CB 1 ATOM 2520 C CG1 . VAL A 1 311 ? -4.593 -59.240 24.235 1.00 68.70 ? 329 VAL B CG1 1 ATOM 2521 C CG2 . VAL A 1 311 ? -5.501 -57.963 22.310 1.00 68.09 ? 329 VAL B CG2 1 ATOM 2522 N N . ILE A 1 312 ? -7.350 -59.860 26.235 1.00 70.65 ? 330 ILE B N 1 ATOM 2523 C CA . ILE A 1 312 ? -7.538 -60.115 27.656 1.00 70.80 ? 330 ILE B CA 1 ATOM 2524 C C . ILE A 1 312 ? -6.381 -60.996 28.110 1.00 75.55 ? 330 ILE B C 1 ATOM 2525 O O . ILE A 1 312 ? -6.375 -62.208 27.874 1.00 80.18 ? 330 ILE B O 1 ATOM 2526 C CB . ILE A 1 312 ? -8.893 -60.771 27.941 1.00 79.56 ? 330 ILE B CB 1 ATOM 2527 C CG1 . ILE A 1 312 ? -10.026 -59.916 27.371 1.00 79.52 ? 330 ILE B CG1 1 ATOM 2528 C CG2 . ILE A 1 312 ? -9.080 -60.974 29.432 1.00 80.89 ? 330 ILE B CG2 1 ATOM 2529 C CD1 . ILE A 1 312 ? -11.401 -60.525 27.544 1.00 82.54 ? 330 ILE B CD1 1 ATOM 2530 N N . GLU A 1 313 ? -5.397 -60.388 28.767 1.00 76.35 ? 331 GLU B N 1 ATOM 2531 C CA . GLU A 1 313 ? -4.254 -61.135 29.276 1.00 81.97 ? 331 GLU B CA 1 ATOM 2532 C C . GLU A 1 313 ? -4.697 -62.121 30.354 1.00 92.29 ? 331 GLU B C 1 ATOM 2533 O O . GLU A 1 313 ? -5.557 -61.816 31.183 1.00 95.53 ? 331 GLU B O 1 ATOM 2534 C CB . GLU A 1 313 ? -3.213 -60.162 29.823 1.00 79.85 ? 331 GLU B CB 1 ATOM 2535 C CG . GLU A 1 313 ? -2.009 -60.816 30.437 1.00 87.75 ? 331 GLU B CG 1 ATOM 2536 C CD . GLU A 1 313 ? -1.831 -60.422 31.880 1.00 94.31 ? 331 GLU B CD 1 ATOM 2537 O OE1 . GLU A 1 313 ? -2.769 -59.823 32.451 1.00 92.94 ? 331 GLU B OE1 1 ATOM 2538 O OE2 . GLU A 1 313 ? -0.754 -60.706 32.442 1.00 100.83 ? 331 GLU B OE2 1 ATOM 2539 N N . SER A 1 314 ? -4.099 -63.315 30.343 1.00 96.84 ? 332 SER B N 1 ATOM 2540 C CA . SER A 1 314 ? -4.614 -64.429 31.134 1.00 102.62 ? 332 SER B CA 1 ATOM 2541 C C . SER A 1 314 ? -4.107 -64.458 32.572 1.00 104.48 ? 332 SER B C 1 ATOM 2542 O O . SER A 1 314 ? -4.824 -64.942 33.456 1.00 103.42 ? 332 SER B O 1 ATOM 2543 C CB . SER A 1 314 ? -4.271 -65.759 30.456 1.00 104.70 ? 332 SER B CB 1 ATOM 2544 O OG . SER A 1 314 ? -4.970 -65.908 29.228 1.00 105.50 ? 332 SER B OG 1 ATOM 2545 N N . THR A 1 315 ? -2.894 -63.964 32.835 1.00 106.93 ? 333 THR B N 1 ATOM 2546 C CA . THR A 1 315 ? -2.348 -64.046 34.189 1.00 110.79 ? 333 THR B CA 1 ATOM 2547 C C . THR A 1 315 ? -3.102 -63.124 35.142 1.00 111.24 ? 333 THR B C 1 ATOM 2548 O O . THR A 1 315 ? -3.730 -63.581 36.105 1.00 113.79 ? 333 THR B O 1 ATOM 2549 C CB . THR A 1 315 ? -0.850 -63.715 34.185 1.00 110.19 ? 333 THR B CB 1 ATOM 2550 O OG1 . THR A 1 315 ? -0.658 -62.300 34.059 1.00 104.42 ? 333 THR B OG1 1 ATOM 2551 C CG2 . THR A 1 315 ? -0.151 -64.420 33.032 1.00 113.24 ? 333 THR B CG2 1 ATOM 2552 N N . GLY A 1 316 ? -3.053 -61.819 34.885 1.00 108.08 ? 334 GLY B N 1 ATOM 2553 C CA . GLY A 1 316 ? -3.727 -60.834 35.702 1.00 102.59 ? 334 GLY B CA 1 ATOM 2554 C C . GLY A 1 316 ? -5.143 -60.502 35.294 1.00 100.08 ? 334 GLY B C 1 ATOM 2555 O O . GLY A 1 316 ? -5.797 -59.700 35.968 1.00 105.25 ? 334 GLY B O 1 ATOM 2556 N N . GLY A 1 317 ? -5.645 -61.089 34.211 1.00 100.35 ? 335 GLY B N 1 ATOM 2557 C CA . GLY A 1 317 ? -7.009 -60.833 33.802 1.00 97.62 ? 335 GLY B CA 1 ATOM 2558 C C . GLY A 1 317 ? -7.254 -59.473 33.194 1.00 90.29 ? 335 GLY B C 1 ATOM 2559 O O . GLY A 1 317 ? -8.405 -59.155 32.874 1.00 87.74 ? 335 GLY B O 1 ATOM 2560 N N . PHE A 1 318 ? -6.215 -58.665 33.013 1.00 86.28 ? 336 PHE B N 1 ATOM 2561 C CA . PHE A 1 318 ? -6.399 -57.313 32.513 1.00 88.43 ? 336 PHE B CA 1 ATOM 2562 C C . PHE A 1 318 ? -6.719 -57.320 31.022 1.00 87.37 ? 336 PHE B C 1 ATOM 2563 O O . PHE A 1 318 ? -6.302 -58.209 30.273 1.00 88.68 ? 336 PHE B O 1 ATOM 2564 C CB . PHE A 1 318 ? -5.152 -56.474 32.784 1.00 95.93 ? 336 PHE B CB 1 ATOM 2565 C CG . PHE A 1 318 ? -4.954 -56.139 34.234 1.00 102.25 ? 336 PHE B CG 1 ATOM 2566 C CD1 . PHE A 1 318 ? -6.043 -56.012 35.082 1.00 105.06 ? 336 PHE B CD1 1 ATOM 2567 C CD2 . PHE A 1 318 ? -3.684 -55.955 34.749 1.00 105.09 ? 336 PHE B CD2 1 ATOM 2568 C CE1 . PHE A 1 318 ? -5.866 -55.704 36.416 1.00 108.26 ? 336 PHE B CE1 1 ATOM 2569 C CE2 . PHE A 1 318 ? -3.499 -55.648 36.082 1.00 108.23 ? 336 PHE B CE2 1 ATOM 2570 C CZ . PHE A 1 318 ? -4.592 -55.522 36.917 1.00 109.37 ? 336 PHE B CZ 1 ATOM 2571 N N . SER A 1 319 ? -7.470 -56.308 30.595 1.00 81.43 ? 337 SER B N 1 ATOM 2572 C CA . SER A 1 319 ? -7.962 -56.219 29.231 1.00 78.01 ? 337 SER B CA 1 ATOM 2573 C C . SER A 1 319 ? -7.554 -54.885 28.622 1.00 72.33 ? 337 SER B C 1 ATOM 2574 O O . SER A 1 319 ? -7.575 -53.851 29.297 1.00 69.56 ? 337 SER B O 1 ATOM 2575 C CB . SER A 1 319 ? -9.487 -56.384 29.196 1.00 79.92 ? 337 SER B CB 1 ATOM 2576 O OG . SER A 1 319 ? -9.975 -56.405 27.868 1.00 84.53 ? 337 SER B OG 1 ATOM 2577 N N . GLU A 1 320 ? -7.175 -54.914 27.345 1.00 70.04 ? 338 GLU B N 1 ATOM 2578 C CA . GLU A 1 320 ? -6.791 -53.713 26.616 1.00 70.87 ? 338 GLU B CA 1 ATOM 2579 C C . GLU A 1 320 ? -7.338 -53.793 25.199 1.00 71.84 ? 338 GLU B C 1 ATOM 2580 O O . GLU A 1 320 ? -7.388 -54.874 24.604 1.00 76.98 ? 338 GLU B O 1 ATOM 2581 C CB . GLU A 1 320 ? -5.269 -53.536 26.587 1.00 73.13 ? 338 GLU B CB 1 ATOM 2582 C CG . GLU A 1 320 ? -4.824 -52.087 26.541 1.00 76.99 ? 338 GLU B CG 1 ATOM 2583 C CD . GLU A 1 320 ? -5.121 -51.349 27.832 1.00 83.34 ? 338 GLU B CD 1 ATOM 2584 O OE1 . GLU A 1 320 ? -4.920 -51.937 28.916 1.00 86.97 ? 338 GLU B OE1 1 ATOM 2585 O OE2 . GLU A 1 320 ? -5.560 -50.182 27.765 1.00 85.75 ? 338 GLU B OE2 1 ATOM 2586 N N . GLU A 1 321 ? -7.746 -52.649 24.660 1.00 69.93 ? 339 GLU B N 1 ATOM 2587 C CA . GLU A 1 321 ? -8.398 -52.586 23.362 1.00 71.89 ? 339 GLU B CA 1 ATOM 2588 C C . GLU A 1 321 ? -7.513 -51.897 22.332 1.00 67.20 ? 339 GLU B C 1 ATOM 2589 O O . GLU A 1 321 ? -6.596 -51.142 22.664 1.00 68.23 ? 339 GLU B O 1 ATOM 2590 C CB . GLU A 1 321 ? -9.738 -51.849 23.456 1.00 75.86 ? 339 GLU B CB 1 ATOM 2591 C CG . GLU A 1 321 ? -10.888 -52.701 23.947 1.00 88.27 ? 339 GLU B CG 1 ATOM 2592 C CD . GLU A 1 321 ? -12.208 -51.970 23.861 1.00 97.16 ? 339 GLU B CD 1 ATOM 2593 O OE1 . GLU A 1 321 ? -12.257 -50.787 24.258 1.00 98.54 ? 339 GLU B OE1 1 ATOM 2594 O OE2 . GLU A 1 321 ? -13.193 -52.569 23.380 1.00 103.98 ? 339 GLU B OE2 1 ATOM 2595 N N . ALA A 1 322 ? -7.810 -52.171 21.064 1.00 62.69 ? 340 ALA B N 1 ATOM 2596 C CA . ALA A 1 322 ? -7.140 -51.526 19.945 1.00 63.25 ? 340 ALA B CA 1 ATOM 2597 C C . ALA A 1 322 ? -8.082 -51.555 18.752 1.00 64.65 ? 340 ALA B C 1 ATOM 2598 O O . ALA A 1 322 ? -8.993 -52.384 18.682 1.00 69.25 ? 340 ALA B O 1 ATOM 2599 C CB . ALA A 1 322 ? -5.809 -52.207 19.610 1.00 62.11 ? 340 ALA B CB 1 ATOM 2600 N N . GLU A 1 323 ? -7.857 -50.641 17.811 1.00 62.94 ? 341 GLU B N 1 ATOM 2601 C CA . GLU A 1 323 ? -8.747 -50.543 16.663 1.00 66.76 ? 341 GLU B CA 1 ATOM 2602 C C . GLU A 1 323 ? -7.995 -50.036 15.442 1.00 62.77 ? 341 GLU B C 1 ATOM 2603 O O . GLU A 1 323 ? -7.077 -49.218 15.547 1.00 59.78 ? 341 GLU B O 1 ATOM 2604 C CB . GLU A 1 323 ? -9.938 -49.617 16.941 1.00 72.25 ? 341 GLU B CB 1 ATOM 2605 C CG . GLU A 1 323 ? -9.544 -48.199 17.325 1.00 75.70 ? 341 GLU B CG 1 ATOM 2606 C CD . GLU A 1 323 ? -10.691 -47.217 17.201 1.00 78.01 ? 341 GLU B CD 1 ATOM 2607 O OE1 . GLU A 1 323 ? -10.464 -46.100 16.690 1.00 75.27 ? 341 GLU B OE1 1 ATOM 2608 O OE2 . GLU A 1 323 ? -11.820 -47.565 17.610 1.00 81.06 ? 341 GLU B OE2 1 ATOM 2609 N N . ILE A 1 324 ? -8.402 -50.538 14.284 1.00 65.82 ? 342 ILE B N 1 ATOM 2610 C CA . ILE A 1 324 ? -8.037 -49.970 12.991 1.00 64.26 ? 342 ILE B CA 1 ATOM 2611 C C . ILE A 1 324 ? -9.261 -49.232 12.462 1.00 67.20 ? 342 ILE B C 1 ATOM 2612 O O . ILE A 1 324 ? -10.311 -49.867 12.256 1.00 73.01 ? 342 ILE B O 1 ATOM 2613 C CB . ILE A 1 324 ? -7.574 -51.048 12.002 1.00 63.17 ? 342 ILE B CB 1 ATOM 2614 C CG1 . ILE A 1 324 ? -6.213 -51.611 12.419 1.00 59.35 ? 342 ILE B CG1 1 ATOM 2615 C CG2 . ILE A 1 324 ? -7.521 -50.479 10.593 1.00 64.25 ? 342 ILE B CG2 1 ATOM 2616 C CD1 . ILE A 1 324 ? -5.613 -52.562 11.405 1.00 62.02 ? 342 ILE B CD1 1 ATOM 2617 N N . PRO A 1 325 ? -9.183 -47.915 12.247 1.00 66.18 ? 343 PRO B N 1 ATOM 2618 C CA . PRO A 1 325 ? -10.396 -47.158 11.887 1.00 66.17 ? 343 PRO B CA 1 ATOM 2619 C C . PRO A 1 325 ? -11.022 -47.597 10.577 1.00 70.23 ? 343 PRO B C 1 ATOM 2620 O O . PRO A 1 325 ? -12.250 -47.727 10.498 1.00 75.37 ? 343 PRO B O 1 ATOM 2621 C CB . PRO A 1 325 ? -9.892 -45.709 11.823 1.00 60.19 ? 343 PRO B CB 1 ATOM 2622 C CG . PRO A 1 325 ? -8.655 -45.695 12.668 1.00 59.04 ? 343 PRO B CG 1 ATOM 2623 C CD . PRO A 1 325 ? -8.021 -47.036 12.457 1.00 61.35 ? 343 PRO B CD 1 ATOM 2624 N N . GLY A 1 326 ? -10.219 -47.829 9.543 1.00 67.12 ? 344 GLY B N 1 ATOM 2625 C CA . GLY A 1 326 ? -10.776 -48.263 8.279 1.00 64.59 ? 344 GLY B CA 1 ATOM 2626 C C . GLY A 1 326 ? -9.740 -48.603 7.232 1.00 62.82 ? 344 GLY B C 1 ATOM 2627 O O . GLY A 1 326 ? -8.755 -47.880 7.059 1.00 61.57 ? 344 GLY B O 1 ATOM 2628 N N . ILE A 1 327 ? -9.952 -49.712 6.532 1.00 62.46 ? 345 ILE B N 1 ATOM 2629 C CA . ILE A 1 327 ? -9.138 -50.105 5.390 1.00 63.35 ? 345 ILE B CA 1 ATOM 2630 C C . ILE A 1 327 ? -10.017 -49.972 4.156 1.00 68.74 ? 345 ILE B C 1 ATOM 2631 O O . ILE A 1 327 ? -11.002 -50.705 4.005 1.00 74.10 ? 345 ILE B O 1 ATOM 2632 C CB . ILE A 1 327 ? -8.600 -51.533 5.538 1.00 64.13 ? 345 ILE B CB 1 ATOM 2633 C CG1 . ILE A 1 327 ? -7.713 -51.638 6.777 1.00 64.26 ? 345 ILE B CG1 1 ATOM 2634 C CG2 . ILE A 1 327 ? -7.839 -51.948 4.291 1.00 66.30 ? 345 ILE B CG2 1 ATOM 2635 C CD1 . ILE A 1 327 ? -7.229 -53.037 7.053 1.00 66.70 ? 345 ILE B CD1 1 ATOM 2636 N N . LYS A 1 328 ? -9.672 -49.037 3.273 1.00 70.16 ? 346 LYS B N 1 ATOM 2637 C CA . LYS A 1 328 ? -10.510 -48.755 2.113 1.00 72.06 ? 346 LYS B CA 1 ATOM 2638 C C . LYS A 1 328 ? -10.524 -49.946 1.159 1.00 72.64 ? 346 LYS B C 1 ATOM 2639 O O . LYS A 1 328 ? -9.467 -50.410 0.717 1.00 72.65 ? 346 LYS B O 1 ATOM 2640 C CB . LYS A 1 328 ? -10.016 -47.503 1.392 1.00 72.92 ? 346 LYS B CB 1 ATOM 2641 C CG . LYS A 1 328 ? -10.746 -47.230 0.082 1.00 78.79 ? 346 LYS B CG 1 ATOM 2642 C CD . LYS A 1 328 ? -10.102 -46.104 -0.716 1.00 80.30 ? 346 LYS B CD 1 ATOM 2643 C CE . LYS A 1 328 ? -10.283 -44.761 -0.034 1.00 81.72 ? 346 LYS B CE 1 ATOM 2644 N NZ . LYS A 1 328 ? -9.673 -43.655 -0.823 1.00 82.49 ? 346 LYS B NZ 1 ATOM 2645 N N . TYR A 1 329 ? -11.720 -50.447 0.852 1.00 72.17 ? 347 TYR B N 1 ATOM 2646 C CA . TYR A 1 329 ? -11.866 -51.418 -0.224 1.00 73.83 ? 347 TYR B CA 1 ATOM 2647 C C . TYR A 1 329 ? -11.613 -50.731 -1.559 1.00 74.81 ? 347 TYR B C 1 ATOM 2648 O O . TYR A 1 329 ? -12.210 -49.692 -1.859 1.00 72.77 ? 347 TYR B O 1 ATOM 2649 C CB . TYR A 1 329 ? -13.259 -52.046 -0.204 1.00 72.08 ? 347 TYR B CB 1 ATOM 2650 C CG . TYR A 1 329 ? -13.478 -53.044 0.909 1.00 75.16 ? 347 TYR B CG 1 ATOM 2651 C CD1 . TYR A 1 329 ? -13.097 -54.371 0.761 1.00 79.44 ? 347 TYR B CD1 1 ATOM 2652 C CD2 . TYR A 1 329 ? -14.070 -52.662 2.106 1.00 74.60 ? 347 TYR B CD2 1 ATOM 2653 C CE1 . TYR A 1 329 ? -13.296 -55.291 1.776 1.00 82.00 ? 347 TYR B CE1 1 ATOM 2654 C CE2 . TYR A 1 329 ? -14.273 -53.576 3.127 1.00 74.75 ? 347 TYR B CE2 1 ATOM 2655 C CZ . TYR A 1 329 ? -13.884 -54.886 2.957 1.00 80.57 ? 347 TYR B CZ 1 ATOM 2656 O OH . TYR A 1 329 ? -14.084 -55.797 3.971 1.00 86.26 ? 347 TYR B OH 1 ATOM 2657 N N . VAL A 1 330 ? -10.720 -51.305 -2.357 1.00 77.42 ? 348 VAL B N 1 ATOM 2658 C CA . VAL A 1 330 ? -10.289 -50.711 -3.615 1.00 79.30 ? 348 VAL B CA 1 ATOM 2659 C C . VAL A 1 330 ? -10.704 -51.640 -4.747 1.00 85.04 ? 348 VAL B C 1 ATOM 2660 O O . VAL A 1 330 ? -10.317 -52.817 -4.770 1.00 88.16 ? 348 VAL B O 1 ATOM 2661 C CB . VAL A 1 330 ? -8.775 -50.454 -3.628 1.00 81.87 ? 348 VAL B CB 1 ATOM 2662 C CG1 . VAL A 1 330 ? -8.304 -50.171 -5.033 1.00 85.73 ? 348 VAL B CG1 1 ATOM 2663 C CG2 . VAL A 1 330 ? -8.439 -49.286 -2.717 1.00 79.56 ? 348 VAL B CG2 1 ATOM 2664 N N . LEU A 1 331 ? -11.498 -51.110 -5.681 1.00 83.61 ? 349 LEU B N 1 ATOM 2665 C CA . LEU A 1 331 ? -11.982 -51.904 -6.804 1.00 80.19 ? 349 LEU B CA 1 ATOM 2666 C C . LEU A 1 331 ? -10.970 -51.948 -7.939 1.00 78.64 ? 349 LEU B C 1 ATOM 2667 O O . LEU A 1 331 ? -10.885 -52.954 -8.653 1.00 81.75 ? 349 LEU B O 1 ATOM 2668 C CB . LEU A 1 331 ? -13.320 -51.344 -7.293 1.00 77.09 ? 349 LEU B CB 1 ATOM 2669 C CG . LEU A 1 331 ? -14.156 -52.083 -8.346 1.00 78.43 ? 349 LEU B CG 1 ATOM 2670 C CD1 . LEU A 1 331 ? -13.785 -51.655 -9.759 1.00 78.47 ? 349 LEU B CD1 1 ATOM 2671 C CD2 . LEU A 1 331 ? -14.039 -53.593 -8.191 1.00 82.75 ? 349 LEU B CD2 1 ATOM 2672 N N . SER A 1 332 ? -10.197 -50.883 -8.119 1.00 76.04 ? 350 SER B N 1 ATOM 2673 C CA . SER A 1 332 ? -9.208 -50.827 -9.178 1.00 77.78 ? 350 SER B CA 1 ATOM 2674 C C . SER A 1 332 ? -7.897 -50.300 -8.612 1.00 74.99 ? 350 SER B C 1 ATOM 2675 O O . SER A 1 332 ? -7.886 -49.248 -7.950 1.00 72.49 ? 350 SER B O 1 ATOM 2676 C CB . SER A 1 332 ? -9.677 -49.938 -10.331 1.00 79.37 ? 350 SER B CB 1 ATOM 2677 O OG . SER A 1 332 ? -8.618 -49.726 -11.244 1.00 83.01 ? 350 SER B OG 1 ATOM 2678 N N . PRO A 1 333 ? -6.777 -50.981 -8.857 1.00 77.15 ? 351 PRO B N 1 ATOM 2679 C CA . PRO A 1 333 ? -5.488 -50.487 -8.350 1.00 77.77 ? 351 PRO B CA 1 ATOM 2680 C C . PRO A 1 333 ? -5.081 -49.140 -8.919 1.00 78.80 ? 351 PRO B C 1 ATOM 2681 O O . PRO A 1 333 ? -4.109 -48.552 -8.427 1.00 76.26 ? 351 PRO B O 1 ATOM 2682 C CB . PRO A 1 333 ? -4.500 -51.585 -8.769 1.00 81.23 ? 351 PRO B CB 1 ATOM 2683 C CG . PRO A 1 333 ? -5.350 -52.802 -9.002 1.00 84.50 ? 351 PRO B CG 1 ATOM 2684 C CD . PRO A 1 333 ? -6.650 -52.284 -9.528 1.00 80.91 ? 351 PRO B CD 1 ATOM 2685 N N . TYR A 1 334 ? -5.788 -48.625 -9.923 1.00 83.01 ? 352 TYR B N 1 ATOM 2686 C CA . TYR A 1 334 ? -5.400 -47.392 -10.585 1.00 84.60 ? 352 TYR B CA 1 ATOM 2687 C C . TYR A 1 334 ? -6.549 -46.393 -10.587 1.00 88.76 ? 352 TYR B C 1 ATOM 2688 O O . TYR A 1 334 ? -7.724 -46.762 -10.523 1.00 85.50 ? 352 TYR B O 1 ATOM 2689 C CB . TYR A 1 334 ? -4.945 -47.659 -12.019 1.00 85.23 ? 352 TYR B CB 1 ATOM 2690 C CG . TYR A 1 334 ? -3.834 -48.679 -12.130 1.00 89.73 ? 352 TYR B CG 1 ATOM 2691 C CD1 . TYR A 1 334 ? -2.572 -48.421 -11.610 1.00 90.04 ? 352 TYR B CD1 1 ATOM 2692 C CD2 . TYR A 1 334 ? -4.044 -49.896 -12.766 1.00 93.52 ? 352 TYR B CD2 1 ATOM 2693 C CE1 . TYR A 1 334 ? -1.549 -49.351 -11.716 1.00 94.25 ? 352 TYR B CE1 1 ATOM 2694 C CE2 . TYR A 1 334 ? -3.027 -50.831 -12.878 1.00 97.01 ? 352 TYR B CE2 1 ATOM 2695 C CZ . TYR A 1 334 ? -1.782 -50.554 -12.352 1.00 97.79 ? 352 TYR B CZ 1 ATOM 2696 O OH . TYR A 1 334 ? -0.770 -51.484 -12.462 1.00 99.65 ? 352 TYR B OH 1 ATOM 2697 N N . LYS A 1 335 ? -6.183 -45.116 -10.656 1.00 98.07 ? 353 LYS B N 1 ATOM 2698 C CA . LYS A 1 335 ? -7.109 -44.006 -10.804 1.00 96.69 ? 353 LYS B CA 1 ATOM 2699 C C . LYS A 1 335 ? -6.577 -43.093 -11.895 1.00 91.44 ? 353 LYS B C 1 ATOM 2700 O O . LYS A 1 335 ? -5.369 -42.838 -11.966 1.00 93.55 ? 353 LYS B O 1 ATOM 2701 C CB . LYS A 1 335 ? -7.275 -43.228 -9.490 1.00 98.89 ? 353 LYS B CB 1 ATOM 2702 C CG . LYS A 1 335 ? -7.943 -44.024 -8.378 1.00 103.47 ? 353 LYS B CG 1 ATOM 2703 C CD . LYS A 1 335 ? -7.951 -43.258 -7.062 1.00 101.51 ? 353 LYS B CD 1 ATOM 2704 C CE . LYS A 1 335 ? -6.542 -43.059 -6.526 1.00 99.99 ? 353 LYS B CE 1 ATOM 2705 N NZ . LYS A 1 335 ? -6.540 -42.410 -5.186 1.00 96.02 ? 353 LYS B NZ 1 ATOM 2706 N N . LEU A 1 336 ? -7.476 -42.612 -12.748 1.00 82.58 ? 354 LEU B N 1 ATOM 2707 C CA . LEU A 1 336 ? -7.105 -41.833 -13.920 1.00 77.47 ? 354 LEU B CA 1 ATOM 2708 C C . LEU A 1 336 ? -7.483 -40.369 -13.738 1.00 71.76 ? 354 LEU B C 1 ATOM 2709 O O . LEU A 1 336 ? -8.497 -40.042 -13.115 1.00 70.64 ? 354 LEU B O 1 ATOM 2710 C CB . LEU A 1 336 ? -7.776 -42.389 -15.181 1.00 74.28 ? 354 LEU B CB 1 ATOM 2711 C CG . LEU A 1 336 ? -7.022 -43.432 -16.008 1.00 72.71 ? 354 LEU B CG 1 ATOM 2712 C CD1 . LEU A 1 336 ? -6.158 -44.310 -15.132 1.00 74.80 ? 354 LEU B CD1 1 ATOM 2713 C CD2 . LEU A 1 336 ? -8.004 -44.285 -16.784 1.00 72.00 ? 354 LEU B CD2 1 ATOM 2714 N N . ASN A 1 337 ? -6.653 -39.489 -14.296 1.00 69.45 ? 355 ASN B N 1 ATOM 2715 C CA . ASN A 1 337 ? -6.933 -38.060 -14.270 1.00 70.31 ? 355 ASN B CA 1 ATOM 2716 C C . ASN A 1 337 ? -6.214 -37.395 -15.434 1.00 72.37 ? 355 ASN B C 1 ATOM 2717 O O . ASN A 1 337 ? -5.100 -37.786 -15.785 1.00 73.01 ? 355 ASN B O 1 ATOM 2718 C CB . ASN A 1 337 ? -6.494 -37.427 -12.944 1.00 68.04 ? 355 ASN B CB 1 ATOM 2719 C CG . ASN A 1 337 ? -5.007 -37.578 -12.693 1.00 75.48 ? 355 ASN B CG 1 ATOM 2720 O OD1 . ASN A 1 337 ? -4.563 -38.564 -12.102 1.00 81.82 ? 355 ASN B OD1 1 ATOM 2721 N ND2 . ASN A 1 337 ? -4.228 -36.601 -13.144 1.00 74.12 ? 355 ASN B ND2 1 ATOM 2722 N N . LEU A 1 338 ? -6.853 -36.387 -16.021 1.00 69.94 ? 356 LEU B N 1 ATOM 2723 C CA . LEU A 1 338 ? -6.243 -35.651 -17.117 1.00 71.01 ? 356 LEU B CA 1 ATOM 2724 C C . LEU A 1 338 ? -5.259 -34.616 -16.586 1.00 72.02 ? 356 LEU B C 1 ATOM 2725 O O . LEU A 1 338 ? -5.388 -34.120 -15.463 1.00 73.10 ? 356 LEU B O 1 ATOM 2726 C CB . LEU A 1 338 ? -7.314 -34.968 -17.969 1.00 67.75 ? 356 LEU B CB 1 ATOM 2727 C CG . LEU A 1 338 ? -8.299 -35.914 -18.658 1.00 62.88 ? 356 LEU B CG 1 ATOM 2728 C CD1 . LEU A 1 338 ? -9.289 -35.142 -19.511 1.00 59.87 ? 356 LEU B CD1 1 ATOM 2729 C CD2 . LEU A 1 338 ? -7.544 -36.930 -19.493 1.00 64.96 ? 356 LEU B CD2 1 ATOM 2730 N N . VAL A 1 339 ? -4.262 -34.295 -17.409 1.00 73.43 ? 357 VAL B N 1 ATOM 2731 C CA . VAL A 1 339 ? -3.239 -33.317 -17.058 1.00 73.21 ? 357 VAL B CA 1 ATOM 2732 C C . VAL A 1 339 ? -3.018 -32.405 -18.255 1.00 74.78 ? 357 VAL B C 1 ATOM 2733 O O . VAL A 1 339 ? -2.698 -32.883 -19.350 1.00 77.59 ? 357 VAL B O 1 ATOM 2734 C CB . VAL A 1 339 ? -1.914 -33.979 -16.643 1.00 74.06 ? 357 VAL B CB 1 ATOM 2735 C CG1 . VAL A 1 339 ? -0.800 -32.952 -16.614 1.00 71.74 ? 357 VAL B CG1 1 ATOM 2736 C CG2 . VAL A 1 339 ? -2.061 -34.624 -15.284 1.00 75.07 ? 357 VAL B CG2 1 ATOM 2737 N N . ALA A 1 340 ? -3.192 -31.098 -18.049 1.00 71.30 ? 358 ALA B N 1 ATOM 2738 C CA . ALA A 1 340 ? -2.886 -30.088 -19.061 1.00 71.27 ? 358 ALA B CA 1 ATOM 2739 C C . ALA A 1 340 ? -3.619 -30.363 -20.370 1.00 75.00 ? 358 ALA B C 1 ATOM 2740 O O . ALA A 1 340 ? -3.049 -30.255 -21.459 1.00 79.47 ? 358 ALA B O 1 ATOM 2741 C CB . ALA A 1 340 ? -1.378 -29.984 -19.299 1.00 72.35 ? 358 ALA B CB 1 ATOM 2742 N N . THR A 1 341 ? -4.892 -30.734 -20.268 1.00 72.32 ? 359 THR B N 1 ATOM 2743 C CA . THR A 1 341 ? -5.737 -30.946 -21.441 1.00 69.54 ? 359 THR B CA 1 ATOM 2744 C C . THR A 1 341 ? -7.071 -30.245 -21.223 1.00 62.77 ? 359 THR B C 1 ATOM 2745 O O . THR A 1 341 ? -7.975 -30.805 -20.577 1.00 55.13 ? 359 THR B O 1 ATOM 2746 C CB . THR A 1 341 ? -5.933 -32.428 -21.731 1.00 72.28 ? 359 THR B CB 1 ATOM 2747 O OG1 . THR A 1 341 ? -6.310 -33.112 -20.531 1.00 74.69 ? 359 THR B OG1 1 ATOM 2748 C CG2 . THR A 1 341 ? -4.642 -33.017 -22.255 1.00 75.67 ? 359 THR B CG2 1 ATOM 2749 N N . PRO A 1 342 ? -7.219 -29.020 -21.721 1.00 62.25 ? 360 PRO B N 1 ATOM 2750 C CA . PRO A 1 342 ? -8.512 -28.337 -21.632 1.00 60.11 ? 360 PRO B CA 1 ATOM 2751 C C . PRO A 1 342 ? -9.599 -29.137 -22.329 1.00 56.59 ? 360 PRO B C 1 ATOM 2752 O O . PRO A 1 342 ? -9.384 -29.720 -23.393 1.00 56.96 ? 360 PRO B O 1 ATOM 2753 C CB . PRO A 1 342 ? -8.256 -27.004 -22.343 1.00 63.28 ? 360 PRO B CB 1 ATOM 2754 C CG . PRO A 1 342 ? -6.776 -26.802 -22.244 1.00 63.84 ? 360 PRO B CG 1 ATOM 2755 C CD . PRO A 1 342 ? -6.181 -28.172 -22.330 1.00 64.15 ? 360 PRO B CD 1 ATOM 2756 N N . LEU A 1 343 ? -10.774 -29.169 -21.713 1.00 56.71 ? 361 LEU B N 1 ATOM 2757 C CA . LEU A 1 343 ? -11.921 -29.869 -22.284 1.00 58.48 ? 361 LEU B CA 1 ATOM 2758 C C . LEU A 1 343 ? -12.653 -29.040 -23.331 1.00 62.49 ? 361 LEU B C 1 ATOM 2759 O O . LEU A 1 343 ? -13.884 -28.963 -23.326 1.00 64.53 ? 361 LEU B O 1 ATOM 2760 C CB . LEU A 1 343 ? -12.864 -30.286 -21.160 1.00 56.48 ? 361 LEU B CB 1 ATOM 2761 C CG . LEU A 1 343 ? -12.806 -31.757 -20.752 1.00 57.34 ? 361 LEU B CG 1 ATOM 2762 C CD1 . LEU A 1 343 ? -11.365 -32.231 -20.626 1.00 55.46 ? 361 LEU B CD1 1 ATOM 2763 C CD2 . LEU A 1 343 ? -13.562 -31.949 -19.448 1.00 57.28 ? 361 LEU B CD2 1 ATOM 2764 N N . PHE A 1 344 ? -11.914 -28.412 -24.241 1.00 63.20 ? 362 PHE B N 1 ATOM 2765 C CA . PHE A 1 344 ? -12.494 -27.570 -25.275 1.00 62.33 ? 362 PHE B CA 1 ATOM 2766 C C . PHE A 1 344 ? -11.818 -27.863 -26.604 1.00 63.81 ? 362 PHE B C 1 ATOM 2767 O O . PHE A 1 344 ? -10.596 -28.024 -26.668 1.00 65.73 ? 362 PHE B O 1 ATOM 2768 C CB . PHE A 1 344 ? -12.361 -26.087 -24.921 1.00 51.69 ? 362 PHE B CB 1 ATOM 2769 C CG . PHE A 1 344 ? -13.063 -25.716 -23.655 1.00 49.85 ? 362 PHE B CG 1 ATOM 2770 C CD1 . PHE A 1 344 ? -14.431 -25.509 -23.644 1.00 49.29 ? 362 PHE B CD1 1 ATOM 2771 C CD2 . PHE A 1 344 ? -12.362 -25.599 -22.469 1.00 48.76 ? 362 PHE B CD2 1 ATOM 2772 C CE1 . PHE A 1 344 ? -15.085 -25.180 -22.477 1.00 52.60 ? 362 PHE B CE1 1 ATOM 2773 C CE2 . PHE A 1 344 ? -13.009 -25.269 -21.298 1.00 47.18 ? 362 PHE B CE2 1 ATOM 2774 C CZ . PHE A 1 344 ? -14.371 -25.060 -21.301 1.00 51.90 ? 362 PHE B CZ 1 ATOM 2775 N N . LEU A 1 345 ? -12.618 -27.934 -27.659 1.00 56.20 ? 363 LEU B N 1 ATOM 2776 C CA . LEU A 1 345 ? -12.119 -28.235 -28.991 1.00 58.33 ? 363 LEU B CA 1 ATOM 2777 C C . LEU A 1 345 ? -11.941 -26.950 -29.787 1.00 66.27 ? 363 LEU B C 1 ATOM 2778 O O . LEU A 1 345 ? -12.750 -26.024 -29.684 1.00 67.21 ? 363 LEU B O 1 ATOM 2779 C CB . LEU A 1 345 ? -13.073 -29.174 -29.727 1.00 59.73 ? 363 LEU B CB 1 ATOM 2780 C CG . LEU A 1 345 ? -13.396 -30.480 -29.008 1.00 67.06 ? 363 LEU B CG 1 ATOM 2781 C CD1 . LEU A 1 345 ? -14.383 -31.299 -29.821 1.00 61.54 ? 363 LEU B CD1 1 ATOM 2782 C CD2 . LEU A 1 345 ? -12.120 -31.261 -28.753 1.00 60.95 ? 363 LEU B CD2 1 ATOM 2783 N N . LYS A 1 346 ? -10.873 -26.899 -30.576 1.00 64.63 ? 364 LYS B N 1 ATOM 2784 C CA . LYS A 1 346 ? -10.658 -25.810 -31.518 1.00 63.92 ? 364 LYS B CA 1 ATOM 2785 C C . LYS A 1 346 ? -10.725 -26.378 -32.929 1.00 68.20 ? 364 LYS B C 1 ATOM 2786 O O . LYS A 1 346 ? -9.832 -27.147 -33.321 1.00 71.04 ? 364 LYS B O 1 ATOM 2787 C CB . LYS A 1 346 ? -9.311 -25.124 -31.275 1.00 62.26 ? 364 LYS B CB 1 ATOM 2788 C CG . LYS A 1 346 ? -9.254 -24.241 -30.028 1.00 65.52 ? 364 LYS B CG 1 ATOM 2789 C CD . LYS A 1 346 ? -8.983 -25.044 -28.756 1.00 68.87 ? 364 LYS B CD 1 ATOM 2790 C CE . LYS A 1 346 ? -8.856 -24.130 -27.539 1.00 74.69 ? 364 LYS B CE 1 ATOM 2791 N NZ . LYS A 1 346 ? -8.631 -24.864 -26.253 1.00 73.81 ? 364 LYS B NZ 1 ATOM 2792 N N . PRO A 1 347 ? -11.751 -26.051 -33.715 1.00 69.04 ? 365 PRO B N 1 ATOM 2793 C CA . PRO A 1 347 ? -11.917 -26.686 -35.034 1.00 69.89 ? 365 PRO B CA 1 ATOM 2794 C C . PRO A 1 347 ? -10.710 -26.454 -35.930 1.00 73.32 ? 365 PRO B C 1 ATOM 2795 O O . PRO A 1 347 ? -10.309 -25.316 -36.180 1.00 76.11 ? 365 PRO B O 1 ATOM 2796 C CB . PRO A 1 347 ? -13.175 -26.012 -35.592 1.00 64.83 ? 365 PRO B CB 1 ATOM 2797 C CG . PRO A 1 347 ? -13.913 -25.524 -34.391 1.00 66.38 ? 365 PRO B CG 1 ATOM 2798 C CD . PRO A 1 347 ? -12.856 -25.130 -33.401 1.00 65.73 ? 365 PRO B CD 1 ATOM 2799 N N . GLY A 1 348 ? -10.127 -27.552 -36.411 1.00 72.51 ? 366 GLY B N 1 ATOM 2800 C CA . GLY A 1 348 ? -8.961 -27.503 -37.266 1.00 71.33 ? 366 GLY B CA 1 ATOM 2801 C C . GLY A 1 348 ? -7.646 -27.801 -36.576 1.00 82.19 ? 366 GLY B C 1 ATOM 2802 O O . GLY A 1 348 ? -6.649 -28.047 -37.266 1.00 85.99 ? 366 GLY B O 1 ATOM 2803 N N . ILE A 1 349 ? -7.612 -27.790 -35.252 1.00 78.07 ? 367 ILE B N 1 ATOM 2804 C CA . ILE A 1 349 ? -6.393 -28.036 -34.484 1.00 77.43 ? 367 ILE B CA 1 ATOM 2805 C C . ILE A 1 349 ? -6.462 -29.449 -33.916 1.00 80.77 ? 367 ILE B C 1 ATOM 2806 O O . ILE A 1 349 ? -7.512 -29.836 -33.386 1.00 80.27 ? 367 ILE B O 1 ATOM 2807 C CB . ILE A 1 349 ? -6.213 -27.004 -33.355 1.00 76.61 ? 367 ILE B CB 1 ATOM 2808 C CG1 . ILE A 1 349 ? -5.934 -25.614 -33.927 1.00 75.63 ? 367 ILE B CG1 1 ATOM 2809 C CG2 . ILE A 1 349 ? -5.096 -27.419 -32.410 1.00 77.78 ? 367 ILE B CG2 1 ATOM 2810 C CD1 . ILE A 1 349 ? -7.174 -24.798 -34.148 1.00 76.42 ? 367 ILE B CD1 1 ATOM 2811 N N . PRO A 1 350 ? -5.396 -30.241 -34.019 1.00 84.40 ? 368 PRO B N 1 ATOM 2812 C CA . PRO A 1 350 ? -5.383 -31.553 -33.357 1.00 81.57 ? 368 PRO B CA 1 ATOM 2813 C C . PRO A 1 350 ? -5.562 -31.409 -31.852 1.00 72.82 ? 368 PRO B C 1 ATOM 2814 O O . PRO A 1 350 ? -4.909 -30.587 -31.208 1.00 69.51 ? 368 PRO B O 1 ATOM 2815 C CB . PRO A 1 350 ? -4.003 -32.115 -33.714 1.00 84.36 ? 368 PRO B CB 1 ATOM 2816 C CG . PRO A 1 350 ? -3.624 -31.405 -34.974 1.00 84.54 ? 368 PRO B CG 1 ATOM 2817 C CD . PRO A 1 350 ? -4.200 -30.027 -34.852 1.00 83.76 ? 368 PRO B CD 1 ATOM 2818 N N . TYR A 1 351 ? -6.456 -32.228 -31.295 1.00 72.48 ? 369 TYR B N 1 ATOM 2819 C CA . TYR A 1 351 ? -6.819 -32.143 -29.885 1.00 69.83 ? 369 TYR B CA 1 ATOM 2820 C C . TYR A 1 351 ? -5.995 -33.129 -29.075 1.00 71.35 ? 369 TYR B C 1 ATOM 2821 O O . TYR A 1 351 ? -6.116 -34.346 -29.294 1.00 72.93 ? 369 TYR B O 1 ATOM 2822 C CB . TYR A 1 351 ? -8.304 -32.429 -29.704 1.00 65.62 ? 369 TYR B CB 1 ATOM 2823 C CG . TYR A 1 351 ? -8.781 -32.344 -28.277 1.00 65.60 ? 369 TYR B CG 1 ATOM 2824 C CD1 . TYR A 1 351 ? -8.742 -31.142 -27.585 1.00 63.30 ? 369 TYR B CD1 1 ATOM 2825 C CD2 . TYR A 1 351 ? -9.286 -33.460 -27.626 1.00 65.05 ? 369 TYR B CD2 1 ATOM 2826 C CE1 . TYR A 1 351 ? -9.184 -31.054 -26.282 1.00 61.96 ? 369 TYR B CE1 1 ATOM 2827 C CE2 . TYR A 1 351 ? -9.733 -33.382 -26.320 1.00 62.32 ? 369 TYR B CE2 1 ATOM 2828 C CZ . TYR A 1 351 ? -9.678 -32.176 -25.654 1.00 62.06 ? 369 TYR B CZ 1 ATOM 2829 O OH . TYR A 1 351 ? -10.119 -32.082 -24.354 1.00 61.57 ? 369 TYR B OH 1 ATOM 2830 N N . PRO A 1 352 ? -5.168 -32.670 -28.135 1.00 70.53 ? 370 PRO B N 1 ATOM 2831 C CA . PRO A 1 352 ? -4.352 -33.593 -27.340 1.00 70.18 ? 370 PRO B CA 1 ATOM 2832 C C . PRO A 1 352 ? -5.024 -33.993 -26.035 1.00 64.81 ? 370 PRO B C 1 ATOM 2833 O O . PRO A 1 352 ? -5.726 -33.209 -25.393 1.00 63.22 ? 370 PRO B O 1 ATOM 2834 C CB . PRO A 1 352 ? -3.080 -32.776 -27.075 1.00 66.63 ? 370 PRO B CB 1 ATOM 2835 C CG . PRO A 1 352 ? -3.517 -31.317 -27.183 1.00 68.67 ? 370 PRO B CG 1 ATOM 2836 C CD . PRO A 1 352 ? -4.914 -31.268 -27.763 1.00 69.50 ? 370 PRO B CD 1 ATOM 2837 N N . ILE A 1 353 ? -4.799 -35.246 -25.646 1.00 65.94 ? 371 ILE B N 1 ATOM 2838 C CA . ILE A 1 353 ? -5.325 -35.805 -24.406 1.00 69.95 ? 371 ILE B CA 1 ATOM 2839 C C . ILE A 1 353 ? -4.175 -36.489 -23.680 1.00 75.05 ? 371 ILE B C 1 ATOM 2840 O O . ILE A 1 353 ? -3.548 -37.404 -24.226 1.00 78.41 ? 371 ILE B O 1 ATOM 2841 C CB . ILE A 1 353 ? -6.474 -36.796 -24.655 1.00 69.33 ? 371 ILE B CB 1 ATOM 2842 C CG1 . ILE A 1 353 ? -7.617 -36.116 -25.402 1.00 64.61 ? 371 ILE B CG1 1 ATOM 2843 C CG2 . ILE A 1 353 ? -6.986 -37.357 -23.340 1.00 67.89 ? 371 ILE B CG2 1 ATOM 2844 C CD1 . ILE A 1 353 ? -8.705 -37.068 -25.828 1.00 65.73 ? 371 ILE B CD1 1 ATOM 2845 N N . LYS A 1 354 ? -3.900 -36.046 -22.457 1.00 73.50 ? 372 LYS B N 1 ATOM 2846 C CA . LYS A 1 354 ? -2.846 -36.604 -21.614 1.00 74.33 ? 372 LYS B CA 1 ATOM 2847 C C . LYS A 1 354 ? -3.514 -37.237 -20.400 1.00 75.01 ? 372 LYS B C 1 ATOM 2848 O O . LYS A 1 354 ? -3.903 -36.534 -19.461 1.00 67.87 ? 372 LYS B O 1 ATOM 2849 C CB . LYS A 1 354 ? -1.849 -35.531 -21.192 1.00 72.66 ? 372 LYS B CB 1 ATOM 2850 C CG . LYS A 1 354 ? -1.259 -34.726 -22.331 1.00 75.58 ? 372 LYS B CG 1 ATOM 2851 C CD . LYS A 1 354 ? -0.429 -33.575 -21.786 1.00 76.70 ? 372 LYS B CD 1 ATOM 2852 C CE . LYS A 1 354 ? 0.145 -32.726 -22.901 1.00 80.33 ? 372 LYS B CE 1 ATOM 2853 N NZ . LYS A 1 354 ? 1.044 -33.525 -23.773 1.00 85.51 ? 372 LYS B NZ 1 ATOM 2854 N N . VAL A 1 355 ? -3.653 -38.562 -20.420 1.00 82.00 ? 373 VAL B N 1 ATOM 2855 C CA . VAL A 1 355 ? -4.189 -39.266 -19.265 1.00 83.53 ? 373 VAL B CA 1 ATOM 2856 C C . VAL A 1 355 ? -3.064 -39.555 -18.277 1.00 82.50 ? 373 VAL B C 1 ATOM 2857 O O . VAL A 1 355 ? -1.880 -39.597 -18.623 1.00 83.07 ? 373 VAL B O 1 ATOM 2858 C CB . VAL A 1 355 ? -4.914 -40.559 -19.678 1.00 86.38 ? 373 VAL B CB 1 ATOM 2859 C CG1 . VAL A 1 355 ? -5.793 -40.308 -20.888 1.00 91.06 ? 373 VAL B CG1 1 ATOM 2860 C CG2 . VAL A 1 355 ? -3.915 -41.655 -19.956 1.00 89.83 ? 373 VAL B CG2 1 ATOM 2861 N N . GLN A 1 356 ? -3.447 -39.761 -17.024 1.00 79.76 ? 374 GLN B N 1 ATOM 2862 C CA . GLN A 1 356 ? -2.489 -39.929 -15.944 1.00 77.88 ? 374 GLN B CA 1 ATOM 2863 C C . GLN A 1 356 ? -2.988 -41.026 -15.019 1.00 74.00 ? 374 GLN B C 1 ATOM 2864 O O . GLN A 1 356 ? -4.163 -41.029 -14.636 1.00 71.69 ? 374 GLN B O 1 ATOM 2865 C CB . GLN A 1 356 ? -2.295 -38.620 -15.177 1.00 78.43 ? 374 GLN B CB 1 ATOM 2866 C CG . GLN A 1 356 ? -1.060 -38.605 -14.314 1.00 86.03 ? 374 GLN B CG 1 ATOM 2867 C CD . GLN A 1 356 ? -0.856 -37.277 -13.621 1.00 92.50 ? 374 GLN B CD 1 ATOM 2868 O OE1 . GLN A 1 356 ? -1.748 -36.774 -12.936 1.00 94.60 ? 374 GLN B OE1 1 ATOM 2869 N NE2 . GLN A 1 356 ? 0.321 -36.692 -13.805 1.00 92.69 ? 374 GLN B NE2 1 ATOM 2870 N N . VAL A 1 357 ? -2.094 -41.948 -14.669 1.00 74.75 ? 375 VAL B N 1 ATOM 2871 C CA . VAL A 1 357 ? -2.428 -43.138 -13.895 1.00 78.65 ? 375 VAL B CA 1 ATOM 2872 C C . VAL A 1 357 ? -1.753 -43.042 -12.534 1.00 81.84 ? 375 VAL B C 1 ATOM 2873 O O . VAL A 1 357 ? -0.547 -42.777 -12.449 1.00 85.19 ? 375 VAL B O 1 ATOM 2874 C CB . VAL A 1 357 ? -1.998 -44.420 -14.630 1.00 82.19 ? 375 VAL B CB 1 ATOM 2875 C CG1 . VAL A 1 357 ? -2.541 -45.644 -13.917 1.00 84.38 ? 375 VAL B CG1 1 ATOM 2876 C CG2 . VAL A 1 357 ? -2.459 -44.391 -16.083 1.00 68.40 ? 375 VAL B CG2 1 ATOM 2877 N N . LYS A 1 358 ? -2.528 -43.258 -11.472 1.00 81.02 ? 376 LYS B N 1 ATOM 2878 C CA . LYS A 1 358 ? -2.010 -43.248 -10.111 1.00 83.42 ? 376 LYS B CA 1 ATOM 2879 C C . LYS A 1 358 ? -2.490 -44.493 -9.377 1.00 88.44 ? 376 LYS B C 1 ATOM 2880 O O . LYS A 1 358 ? -3.470 -45.126 -9.771 1.00 91.77 ? 376 LYS B O 1 ATOM 2881 C CB . LYS A 1 358 ? -2.436 -41.981 -9.353 1.00 79.50 ? 376 LYS B CB 1 ATOM 2882 C CG . LYS A 1 358 ? -1.817 -40.705 -9.903 1.00 79.17 ? 376 LYS B CG 1 ATOM 2883 C CD . LYS A 1 358 ? -2.482 -39.455 -9.341 1.00 74.64 ? 376 LYS B CD 1 ATOM 2884 C CE . LYS A 1 358 ? -1.914 -38.204 -10.001 1.00 72.54 ? 376 LYS B CE 1 ATOM 2885 N NZ . LYS A 1 358 ? -2.679 -36.967 -9.672 1.00 66.94 ? 376 LYS B NZ 1 ATOM 2886 N N . ASP A 1 359 ? -1.786 -44.852 -8.308 1.00 87.81 ? 377 ASP B N 1 ATOM 2887 C CA . ASP A 1 359 ? -2.159 -46.026 -7.532 1.00 87.88 ? 377 ASP B CA 1 ATOM 2888 C C . ASP A 1 359 ? -3.041 -45.605 -6.359 1.00 85.43 ? 377 ASP B C 1 ATOM 2889 O O . ASP A 1 359 ? -3.538 -44.477 -6.297 1.00 85.32 ? 377 ASP B O 1 ATOM 2890 C CB . ASP A 1 359 ? -0.918 -46.788 -7.072 1.00 89.06 ? 377 ASP B CB 1 ATOM 2891 C CG . ASP A 1 359 ? 0.109 -45.894 -6.411 1.00 88.05 ? 377 ASP B CG 1 ATOM 2892 O OD1 . ASP A 1 359 ? -0.282 -44.989 -5.643 1.00 84.69 ? 377 ASP B OD1 1 ATOM 2893 O OD2 . ASP A 1 359 ? 1.314 -46.101 -6.665 1.00 89.11 ? 377 ASP B OD2 1 ATOM 2894 N N . SER A 1 360 ? -3.239 -46.515 -5.404 1.00 83.22 ? 378 SER B N 1 ATOM 2895 C CA . SER A 1 360 ? -4.094 -46.213 -4.263 1.00 79.27 ? 378 SER B CA 1 ATOM 2896 C C . SER A 1 360 ? -3.490 -45.154 -3.349 1.00 75.71 ? 378 SER B C 1 ATOM 2897 O O . SER A 1 360 ? -4.207 -44.593 -2.514 1.00 71.70 ? 378 SER B O 1 ATOM 2898 C CB . SER A 1 360 ? -4.383 -47.490 -3.476 1.00 79.95 ? 378 SER B CB 1 ATOM 2899 O OG . SER A 1 360 ? -4.938 -48.485 -4.320 1.00 84.99 ? 378 SER B OG 1 ATOM 2900 N N . LEU A 1 361 ? -2.196 -44.866 -3.491 1.00 74.92 ? 379 LEU B N 1 ATOM 2901 C CA . LEU A 1 361 ? -1.528 -43.819 -2.732 1.00 72.05 ? 379 LEU B CA 1 ATOM 2902 C C . LEU A 1 361 ? -1.360 -42.538 -3.540 1.00 77.39 ? 379 LEU B C 1 ATOM 2903 O O . LEU A 1 361 ? -0.582 -41.661 -3.146 1.00 76.58 ? 379 LEU B O 1 ATOM 2904 C CB . LEU A 1 361 ? -0.169 -44.311 -2.236 1.00 68.89 ? 379 LEU B CB 1 ATOM 2905 C CG . LEU A 1 361 ? -0.175 -45.504 -1.274 1.00 67.17 ? 379 LEU B CG 1 ATOM 2906 C CD1 . LEU A 1 361 ? 1.249 -45.908 -0.906 1.00 64.66 ? 379 LEU B CD1 1 ATOM 2907 C CD2 . LEU A 1 361 ? -0.997 -45.203 -0.022 1.00 62.72 ? 379 LEU B CD2 1 ATOM 2908 N N . ASP A 1 362 ? -2.077 -42.417 -4.662 1.00 83.13 ? 380 ASP B N 1 ATOM 2909 C CA . ASP A 1 362 ? -2.000 -41.248 -5.540 1.00 83.16 ? 380 ASP B CA 1 ATOM 2910 C C . ASP A 1 362 ? -0.572 -41.008 -6.021 1.00 83.73 ? 380 ASP B C 1 ATOM 2911 O O . ASP A 1 362 ? -0.099 -39.872 -6.083 1.00 89.10 ? 380 ASP B O 1 ATOM 2912 C CB . ASP A 1 362 ? -2.565 -40.000 -4.858 1.00 84.02 ? 380 ASP B CB 1 ATOM 2913 C CG . ASP A 1 362 ? -4.065 -40.072 -4.666 1.00 88.05 ? 380 ASP B CG 1 ATOM 2914 O OD1 . ASP A 1 362 ? -4.597 -41.198 -4.562 1.00 90.64 ? 380 ASP B OD1 1 ATOM 2915 O OD2 . ASP A 1 362 ? -4.713 -39.006 -4.620 1.00 89.18 ? 380 ASP B OD2 1 ATOM 2916 N N . GLN A 1 363 ? 0.120 -42.087 -6.365 1.00 83.30 ? 381 GLN B N 1 ATOM 2917 C CA . GLN A 1 363 ? 1.478 -42.024 -6.882 1.00 86.36 ? 381 GLN B CA 1 ATOM 2918 C C . GLN A 1 363 ? 1.479 -42.412 -8.354 1.00 85.10 ? 381 GLN B C 1 ATOM 2919 O O . GLN A 1 363 ? 0.807 -43.369 -8.753 1.00 83.91 ? 381 GLN B O 1 ATOM 2920 C CB . GLN A 1 363 ? 2.409 -42.949 -6.094 1.00 92.11 ? 381 GLN B CB 1 ATOM 2921 C CG . GLN A 1 363 ? 2.407 -42.704 -4.592 1.00 96.32 ? 381 GLN B CG 1 ATOM 2922 C CD . GLN A 1 363 ? 3.087 -43.820 -3.819 1.00 103.30 ? 381 GLN B CD 1 ATOM 2923 O OE1 . GLN A 1 363 ? 3.316 -44.908 -4.349 1.00 106.18 ? 381 GLN B OE1 1 ATOM 2924 N NE2 . GLN A 1 363 ? 3.414 -43.555 -2.558 1.00 103.53 ? 381 GLN B NE2 1 ATOM 2925 N N . LEU A 1 364 ? 2.237 -41.670 -9.158 1.00 83.88 ? 382 LEU B N 1 ATOM 2926 C CA . LEU A 1 364 ? 2.287 -41.915 -10.594 1.00 87.90 ? 382 LEU B CA 1 ATOM 2927 C C . LEU A 1 364 ? 2.815 -43.310 -10.898 1.00 89.66 ? 382 LEU B C 1 ATOM 2928 O O . LEU A 1 364 ? 3.986 -43.607 -10.639 1.00 90.62 ? 382 LEU B O 1 ATOM 2929 C CB . LEU A 1 364 ? 3.155 -40.863 -11.284 1.00 89.61 ? 382 LEU B CB 1 ATOM 2930 C CG . LEU A 1 364 ? 2.678 -39.424 -11.103 1.00 86.64 ? 382 LEU B CG 1 ATOM 2931 C CD1 . LEU A 1 364 ? 3.604 -38.462 -11.822 1.00 86.81 ? 382 LEU B CD1 1 ATOM 2932 C CD2 . LEU A 1 364 ? 1.254 -39.286 -11.607 1.00 85.44 ? 382 LEU B CD2 1 ATOM 2933 N N . VAL A 1 365 ? 1.958 -44.169 -11.443 1.00 88.59 ? 383 VAL B N 1 ATOM 2934 C CA . VAL A 1 365 ? 2.341 -45.525 -11.818 1.00 90.11 ? 383 VAL B CA 1 ATOM 2935 C C . VAL A 1 365 ? 2.810 -45.515 -13.264 1.00 89.31 ? 383 VAL B C 1 ATOM 2936 O O . VAL A 1 365 ? 2.161 -44.921 -14.131 1.00 89.72 ? 383 VAL B O 1 ATOM 2937 C CB . VAL A 1 365 ? 1.171 -46.503 -11.632 1.00 90.72 ? 383 VAL B CB 1 ATOM 2938 C CG1 . VAL A 1 365 ? 1.667 -47.939 -11.717 1.00 93.46 ? 383 VAL B CG1 1 ATOM 2939 C CG2 . VAL A 1 365 ? 0.470 -46.241 -10.315 1.00 90.49 ? 383 VAL B CG2 1 ATOM 2940 N N . GLY A 1 366 ? 3.929 -46.184 -13.529 1.00 90.06 ? 384 GLY B N 1 ATOM 2941 C CA . GLY A 1 366 ? 4.531 -46.177 -14.840 1.00 92.14 ? 384 GLY B CA 1 ATOM 2942 C C . GLY A 1 366 ? 4.265 -47.446 -15.628 1.00 94.42 ? 384 GLY B C 1 ATOM 2943 O O . GLY A 1 366 ? 3.856 -48.469 -15.083 1.00 93.71 ? 384 GLY B O 1 ATOM 2944 N N . GLY A 1 367 ? 4.509 -47.355 -16.935 1.00 96.63 ? 385 GLY B N 1 ATOM 2945 C CA . GLY A 1 367 ? 4.341 -48.489 -17.825 1.00 99.49 ? 385 GLY B CA 1 ATOM 2946 C C . GLY A 1 367 ? 2.930 -49.012 -17.919 1.00 94.57 ? 385 GLY B C 1 ATOM 2947 O O . GLY A 1 367 ? 2.733 -50.180 -18.265 1.00 99.98 ? 385 GLY B O 1 ATOM 2948 N N . VAL A 1 368 ? 1.936 -48.181 -17.622 1.00 92.43 ? 386 VAL B N 1 ATOM 2949 C CA . VAL A 1 368 ? 0.538 -48.601 -17.605 1.00 91.60 ? 386 VAL B CA 1 ATOM 2950 C C . VAL A 1 368 ? -0.053 -48.316 -18.985 1.00 89.79 ? 386 VAL B C 1 ATOM 2951 O O . VAL A 1 368 ? -0.147 -47.139 -19.371 1.00 86.51 ? 386 VAL B O 1 ATOM 2952 C CB . VAL A 1 368 ? -0.252 -47.880 -16.507 1.00 92.08 ? 386 VAL B CB 1 ATOM 2953 C CG1 . VAL A 1 368 ? -1.696 -48.354 -16.501 1.00 92.82 ? 386 VAL B CG1 1 ATOM 2954 C CG2 . VAL A 1 368 ? 0.405 -48.100 -15.149 1.00 92.78 ? 386 VAL B CG2 1 ATOM 2955 N N . PRO A 1 369 ? -0.447 -49.333 -19.747 1.00 91.25 ? 387 PRO B N 1 ATOM 2956 C CA . PRO A 1 369 ? -1.115 -49.071 -21.027 1.00 92.44 ? 387 PRO B CA 1 ATOM 2957 C C . PRO A 1 369 ? -2.490 -48.457 -20.810 1.00 92.28 ? 387 PRO B C 1 ATOM 2958 O O . PRO A 1 369 ? -3.217 -48.826 -19.884 1.00 91.56 ? 387 PRO B O 1 ATOM 2959 C CB . PRO A 1 369 ? -1.216 -50.460 -21.671 1.00 95.86 ? 387 PRO B CB 1 ATOM 2960 C CG . PRO A 1 369 ? -0.222 -51.310 -20.929 1.00 98.04 ? 387 PRO B CG 1 ATOM 2961 C CD . PRO A 1 369 ? -0.192 -50.767 -19.538 1.00 92.17 ? 387 PRO B CD 1 ATOM 2962 N N . VAL A 1 370 ? -2.836 -47.505 -21.675 1.00 92.12 ? 388 VAL B N 1 ATOM 2963 C CA . VAL A 1 370 ? -4.114 -46.806 -21.623 1.00 90.09 ? 388 VAL B CA 1 ATOM 2964 C C . VAL A 1 370 ? -4.739 -46.827 -23.010 1.00 93.12 ? 388 VAL B C 1 ATOM 2965 O O . VAL A 1 370 ? -4.077 -46.501 -24.003 1.00 97.97 ? 388 VAL B O 1 ATOM 2966 C CB . VAL A 1 370 ? -3.961 -45.356 -21.128 1.00 89.37 ? 388 VAL B CB 1 ATOM 2967 C CG1 . VAL A 1 370 ? -5.323 -44.679 -21.075 1.00 90.58 ? 388 VAL B CG1 1 ATOM 2968 C CG2 . VAL A 1 370 ? -3.290 -45.322 -19.763 1.00 85.73 ? 388 VAL B CG2 1 ATOM 2969 N N . THR A 1 371 ? -6.012 -47.209 -23.072 1.00 90.22 ? 389 THR B N 1 ATOM 2970 C CA . THR A 1 371 ? -6.789 -47.243 -24.300 1.00 89.29 ? 389 THR B CA 1 ATOM 2971 C C . THR A 1 371 ? -7.766 -46.076 -24.301 1.00 85.70 ? 389 THR B C 1 ATOM 2972 O O . THR A 1 371 ? -8.461 -45.840 -23.304 1.00 86.87 ? 389 THR B O 1 ATOM 2973 C CB . THR A 1 371 ? -7.548 -48.566 -24.434 1.00 91.63 ? 389 THR B CB 1 ATOM 2974 O OG1 . THR A 1 371 ? -6.620 -49.659 -24.424 1.00 85.85 ? 389 THR B OG1 1 ATOM 2975 C CG2 . THR A 1 371 ? -8.346 -48.597 -25.727 1.00 92.81 ? 389 THR B CG2 1 ATOM 2976 N N . LEU A 1 372 ? -7.812 -45.354 -25.419 1.00 83.98 ? 390 LEU B N 1 ATOM 2977 C CA . LEU A 1 372 ? -8.647 -44.170 -25.585 1.00 81.96 ? 390 LEU B CA 1 ATOM 2978 C C . LEU A 1 372 ? -9.668 -44.420 -26.687 1.00 83.14 ? 390 LEU B C 1 ATOM 2979 O O . LEU A 1 372 ? -9.296 -44.731 -27.826 1.00 86.97 ? 390 LEU B O 1 ATOM 2980 C CB . LEU A 1 372 ? -7.794 -42.945 -25.920 1.00 78.90 ? 390 LEU B CB 1 ATOM 2981 C CG . LEU A 1 372 ? -8.545 -41.724 -26.454 1.00 76.20 ? 390 LEU B CG 1 ATOM 2982 C CD1 . LEU A 1 372 ? -9.420 -41.099 -25.371 1.00 71.91 ? 390 LEU B CD1 1 ATOM 2983 C CD2 . LEU A 1 372 ? -7.571 -40.707 -27.039 1.00 73.28 ? 390 LEU B CD2 1 ATOM 2984 N N . ASN A 1 373 ? -10.945 -44.287 -26.343 1.00 82.38 ? 391 ASN B N 1 ATOM 2985 C CA . ASN A 1 373 ? -12.051 -44.326 -27.284 1.00 87.19 ? 391 ASN B CA 1 ATOM 2986 C C . ASN A 1 373 ? -12.710 -42.954 -27.340 1.00 85.30 ? 391 ASN B C 1 ATOM 2987 O O . ASN A 1 373 ? -12.535 -42.125 -26.443 1.00 83.52 ? 391 ASN B O 1 ATOM 2988 C CB . ASN A 1 373 ? -13.078 -45.390 -26.884 1.00 94.39 ? 391 ASN B CB 1 ATOM 2989 C CG . ASN A 1 373 ? -12.523 -46.798 -26.970 1.00 103.18 ? 391 ASN B CG 1 ATOM 2990 O OD1 . ASN A 1 373 ? -11.320 -46.996 -27.141 1.00 107.10 ? 391 ASN B OD1 1 ATOM 2991 N ND2 . ASN A 1 373 ? -13.400 -47.787 -26.847 1.00 106.91 ? 391 ASN B ND2 1 ATOM 2992 N N . ALA A 1 374 ? -13.474 -42.713 -28.403 1.00 87.88 ? 392 ALA B N 1 ATOM 2993 C CA . ALA A 1 374 ? -14.073 -41.398 -28.575 1.00 86.77 ? 392 ALA B CA 1 ATOM 2994 C C . ALA A 1 374 ? -15.231 -41.470 -29.558 1.00 89.52 ? 392 ALA B C 1 ATOM 2995 O O . ALA A 1 374 ? -15.161 -42.180 -30.563 1.00 93.65 ? 392 ALA B O 1 ATOM 2996 C CB . ALA A 1 374 ? -13.039 -40.375 -29.062 1.00 85.21 ? 392 ALA B CB 1 ATOM 2997 N N . GLN A 1 375 ? -16.289 -40.727 -29.250 1.00 89.14 ? 393 GLN B N 1 ATOM 2998 C CA . GLN A 1 375 ? -17.389 -40.465 -30.161 1.00 90.94 ? 393 GLN B CA 1 ATOM 2999 C C . GLN A 1 375 ? -17.420 -38.981 -30.498 1.00 82.66 ? 393 GLN B C 1 ATOM 3000 O O . GLN A 1 375 ? -17.085 -38.133 -29.666 1.00 76.02 ? 393 GLN B O 1 ATOM 3001 C CB . GLN A 1 375 ? -18.732 -40.878 -29.556 1.00 100.19 ? 393 GLN B CB 1 ATOM 3002 C CG . GLN A 1 375 ? -18.897 -42.368 -29.348 1.00 112.02 ? 393 GLN B CG 1 ATOM 3003 C CD . GLN A 1 375 ? -20.336 -42.746 -29.068 1.00 118.92 ? 393 GLN B CD 1 ATOM 3004 O OE1 . GLN A 1 375 ? -21.244 -41.928 -29.221 1.00 120.31 ? 393 GLN B OE1 1 ATOM 3005 N NE2 . GLN A 1 375 ? -20.553 -43.990 -28.656 1.00 122.34 ? 393 GLN B NE2 1 ATOM 3006 N N . THR A 1 376 ? -17.828 -38.670 -31.725 1.00 80.94 ? 394 THR B N 1 ATOM 3007 C CA . THR A 1 376 ? -17.885 -37.297 -32.204 1.00 77.31 ? 394 THR B CA 1 ATOM 3008 C C . THR A 1 376 ? -19.291 -36.966 -32.682 1.00 74.75 ? 394 THR B C 1 ATOM 3009 O O . THR A 1 376 ? -19.967 -37.805 -33.290 1.00 78.05 ? 394 THR B O 1 ATOM 3010 C CB . THR A 1 376 ? -16.885 -37.053 -33.344 1.00 81.76 ? 394 THR B CB 1 ATOM 3011 O OG1 . THR A 1 376 ? -17.022 -38.075 -34.342 1.00 89.38 ? 394 THR B OG1 1 ATOM 3012 C CG2 . THR A 1 376 ? -15.457 -37.035 -32.812 1.00 78.14 ? 394 THR B CG2 1 ATOM 3013 N N . ILE A 1 377 ? -19.722 -35.739 -32.396 1.00 71.96 ? 395 ILE B N 1 ATOM 3014 C CA . ILE A 1 377 ? -20.995 -35.207 -32.868 1.00 76.88 ? 395 ILE B CA 1 ATOM 3015 C C . ILE A 1 377 ? -20.711 -33.885 -33.562 1.00 76.53 ? 395 ILE B C 1 ATOM 3016 O O . ILE A 1 377 ? -20.117 -32.979 -32.958 1.00 74.18 ? 395 ILE B O 1 ATOM 3017 C CB . ILE A 1 377 ? -22.006 -35.006 -31.727 1.00 81.61 ? 395 ILE B CB 1 ATOM 3018 C CG1 . ILE A 1 377 ? -22.200 -36.306 -30.944 1.00 89.30 ? 395 ILE B CG1 1 ATOM 3019 C CG2 . ILE A 1 377 ? -23.334 -34.501 -32.278 1.00 79.26 ? 395 ILE B CG2 1 ATOM 3020 C CD1 . ILE A 1 377 ? -23.089 -36.157 -29.727 1.00 90.60 ? 395 ILE B CD1 1 ATOM 3021 N N . ASP A 1 378 ? -21.131 -33.774 -34.822 1.00 81.44 ? 396 ASP B N 1 ATOM 3022 C CA . ASP A 1 378 ? -20.926 -32.574 -35.615 1.00 83.35 ? 396 ASP B CA 1 ATOM 3023 C C . ASP A 1 378 ? -22.188 -31.710 -35.594 1.00 80.55 ? 396 ASP B C 1 ATOM 3024 O O . ASP A 1 378 ? -23.154 -31.990 -34.879 1.00 78.82 ? 396 ASP B O 1 ATOM 3025 C CB . ASP A 1 378 ? -20.508 -32.941 -37.043 1.00 88.71 ? 396 ASP B CB 1 ATOM 3026 C CG . ASP A 1 378 ? -21.523 -33.822 -37.751 1.00 97.45 ? 396 ASP B CG 1 ATOM 3027 O OD1 . ASP A 1 378 ? -22.651 -33.988 -37.239 1.00 102.28 ? 396 ASP B OD1 1 ATOM 3028 O OD2 . ASP A 1 378 ? -21.193 -34.348 -38.834 1.00 99.20 ? 396 ASP B OD2 1 ATOM 3029 N N . VAL A 1 379 ? -22.183 -30.648 -36.403 1.00 82.56 ? 397 VAL B N 1 ATOM 3030 C CA . VAL A 1 379 ? -23.304 -29.719 -36.450 1.00 84.94 ? 397 VAL B CA 1 ATOM 3031 C C . VAL A 1 379 ? -24.578 -30.384 -36.958 1.00 97.29 ? 397 VAL B C 1 ATOM 3032 O O . VAL A 1 379 ? -25.683 -29.924 -36.643 1.00 97.89 ? 397 VAL B O 1 ATOM 3033 C CB . VAL A 1 379 ? -22.919 -28.502 -37.317 1.00 78.70 ? 397 VAL B CB 1 ATOM 3034 C CG1 . VAL A 1 379 ? -22.702 -28.926 -38.762 1.00 83.46 ? 397 VAL B CG1 1 ATOM 3035 C CG2 . VAL A 1 379 ? -23.972 -27.418 -37.219 1.00 74.65 ? 397 VAL B CG2 1 ATOM 3036 N N . ASN A 1 380 ? -24.458 -31.470 -37.720 1.00 105.76 ? 398 ASN B N 1 ATOM 3037 C CA . ASN A 1 380 ? -25.605 -32.190 -38.258 1.00 111.13 ? 398 ASN B CA 1 ATOM 3038 C C . ASN A 1 380 ? -26.140 -33.257 -37.311 1.00 116.68 ? 398 ASN B C 1 ATOM 3039 O O . ASN A 1 380 ? -26.996 -34.048 -37.719 1.00 117.96 ? 398 ASN B O 1 ATOM 3040 C CB . ASN A 1 380 ? -25.237 -32.840 -39.591 1.00 110.66 ? 398 ASN B CB 1 ATOM 3041 C CG . ASN A 1 380 ? -24.620 -31.861 -40.560 1.00 110.66 ? 398 ASN B CG 1 ATOM 3042 O OD1 . ASN A 1 380 ? -25.326 -31.167 -41.289 1.00 115.36 ? 398 ASN B OD1 1 ATOM 3043 N ND2 . ASN A 1 380 ? -23.295 -31.798 -40.573 1.00 107.65 ? 398 ASN B ND2 1 ATOM 3044 N N . GLN A 1 381 ? -25.653 -33.305 -36.072 1.00 124.77 ? 399 GLN B N 1 ATOM 3045 C CA . GLN A 1 381 ? -25.978 -34.335 -35.087 1.00 136.03 ? 399 GLN B CA 1 ATOM 3046 C C . GLN A 1 381 ? -25.615 -35.740 -35.558 1.00 137.93 ? 399 GLN B C 1 ATOM 3047 O O . GLN A 1 381 ? -26.059 -36.724 -34.953 1.00 141.19 ? 399 GLN B O 1 ATOM 3048 C CB . GLN A 1 381 ? -27.460 -34.299 -34.686 1.00 144.78 ? 399 GLN B CB 1 ATOM 3049 C CG . GLN A 1 381 ? -27.926 -32.986 -34.085 1.00 149.25 ? 399 GLN B CG 1 ATOM 3050 C CD . GLN A 1 381 ? -29.361 -33.055 -33.597 1.00 153.85 ? 399 GLN B CD 1 ATOM 3051 O OE1 . GLN A 1 381 ? -29.822 -34.099 -33.134 1.00 155.96 ? 399 GLN B OE1 1 ATOM 3052 N NE2 . GLN A 1 381 ? -30.077 -31.942 -33.704 1.00 154.61 ? 399 GLN B NE2 1 ATOM 3053 N N . GLU A 1 382 ? -24.816 -35.862 -36.616 1.00 128.43 ? 400 GLU B N 1 ATOM 3054 C CA . GLU A 1 382 ? -24.435 -37.162 -37.157 1.00 124.08 ? 400 GLU B CA 1 ATOM 3055 C C . GLU A 1 382 ? -23.275 -37.717 -36.337 1.00 119.19 ? 400 GLU B C 1 ATOM 3056 O O . GLU A 1 382 ? -22.140 -37.242 -36.449 1.00 116.96 ? 400 GLU B O 1 ATOM 3057 C CB . GLU A 1 382 ? -24.068 -37.029 -38.631 1.00 126.74 ? 400 GLU B CB 1 ATOM 3058 C CG . GLU A 1 382 ? -24.052 -38.339 -39.399 1.00 132.18 ? 400 GLU B CG 1 ATOM 3059 C CD . GLU A 1 382 ? -24.354 -38.143 -40.871 1.00 136.99 ? 400 GLU B CD 1 ATOM 3060 O OE1 . GLU A 1 382 ? -24.976 -37.115 -41.213 1.00 137.68 ? 400 GLU B OE1 1 ATOM 3061 O OE2 . GLU A 1 382 ? -23.971 -39.010 -41.685 1.00 140.27 ? 400 GLU B OE2 1 ATOM 3062 N N . THR A 1 383 ? -23.557 -38.722 -35.512 1.00 115.36 ? 401 THR B N 1 ATOM 3063 C CA . THR A 1 383 ? -22.551 -39.291 -34.628 1.00 108.02 ? 401 THR B CA 1 ATOM 3064 C C . THR A 1 383 ? -21.573 -40.168 -35.402 1.00 103.88 ? 401 THR B C 1 ATOM 3065 O O . THR A 1 383 ? -21.922 -40.793 -36.408 1.00 105.71 ? 401 THR B O 1 ATOM 3066 C CB . THR A 1 383 ? -23.209 -40.116 -33.519 1.00 105.46 ? 401 THR B CB 1 ATOM 3067 O OG1 . THR A 1 383 ? -24.037 -41.129 -34.103 1.00 110.10 ? 401 THR B OG1 1 ATOM 3068 C CG2 . THR A 1 383 ? -24.054 -39.227 -32.614 1.00 99.75 ? 401 THR B CG2 1 ATOM 3069 N N . SER A 1 384 ? -20.336 -40.216 -34.913 1.00 100.91 ? 402 SER B N 1 ATOM 3070 C CA . SER A 1 384 ? -19.295 -41.043 -35.511 1.00 102.29 ? 402 SER B CA 1 ATOM 3071 C C . SER A 1 384 ? -18.452 -41.670 -34.410 1.00 102.10 ? 402 SER B C 1 ATOM 3072 O O . SER A 1 384 ? -18.002 -40.974 -33.495 1.00 99.52 ? 402 SER B O 1 ATOM 3073 C CB . SER A 1 384 ? -18.410 -40.220 -36.454 1.00 102.47 ? 402 SER B CB 1 ATOM 3074 O OG . SER A 1 384 ? -17.374 -41.014 -37.003 1.00 105.93 ? 402 SER B OG 1 ATOM 3075 N N . ASP A 1 385 ? -18.240 -42.982 -34.501 1.00 103.47 ? 403 ASP B N 1 ATOM 3076 C CA . ASP A 1 385 ? -17.423 -43.708 -33.535 1.00 100.70 ? 403 ASP B CA 1 ATOM 3077 C C . ASP A 1 385 ? -16.000 -43.826 -34.069 1.00 99.62 ? 403 ASP B C 1 ATOM 3078 O O . ASP A 1 385 ? -15.771 -44.457 -35.107 1.00 103.82 ? 403 ASP B O 1 ATOM 3079 C CB . ASP A 1 385 ? -18.014 -45.089 -33.253 1.00 101.40 ? 403 ASP B CB 1 ATOM 3080 C CG . ASP A 1 385 ? -19.244 -45.027 -32.368 1.00 102.57 ? 403 ASP B CG 1 ATOM 3081 O OD1 . ASP A 1 385 ? -19.836 -43.934 -32.239 1.00 102.43 ? 403 ASP B OD1 1 ATOM 3082 O OD2 . ASP A 1 385 ? -19.623 -46.074 -31.801 1.00 103.96 ? 403 ASP B OD2 1 ATOM 3083 N N . LEU A 1 386 ? -15.051 -43.223 -33.359 1.00 95.53 ? 404 LEU B N 1 ATOM 3084 C CA . LEU A 1 386 ? -13.665 -43.195 -33.799 1.00 97.04 ? 404 LEU B CA 1 ATOM 3085 C C . LEU A 1 386 ? -12.991 -44.542 -33.568 1.00 101.35 ? 404 LEU B C 1 ATOM 3086 O O . LEU A 1 386 ? -13.464 -45.382 -32.800 1.00 104.50 ? 404 LEU B O 1 ATOM 3087 C CB . LEU A 1 386 ? -12.888 -42.103 -33.066 1.00 94.70 ? 404 LEU B CB 1 ATOM 3088 C CG . LEU A 1 386 ? -12.792 -40.737 -33.744 1.00 93.43 ? 404 LEU B CG 1 ATOM 3089 C CD1 . LEU A 1 386 ? -14.174 -40.197 -34.067 1.00 95.24 ? 404 LEU B CD1 1 ATOM 3090 C CD2 . LEU A 1 386 ? -12.019 -39.766 -32.866 1.00 86.34 ? 404 LEU B CD2 1 ATOM 3091 N N . ASP A 1 387 ? -11.867 -44.739 -34.248 1.00 104.40 ? 405 ASP B N 1 ATOM 3092 C CA . ASP A 1 387 ? -11.071 -45.940 -34.029 1.00 108.53 ? 405 ASP B CA 1 ATOM 3093 C C . ASP A 1 387 ? -10.306 -45.811 -32.719 1.00 107.42 ? 405 ASP B C 1 ATOM 3094 O O . ASP A 1 387 ? -9.714 -44.759 -32.456 1.00 102.64 ? 405 ASP B O 1 ATOM 3095 C CB . ASP A 1 387 ? -10.095 -46.170 -35.178 1.00 111.06 ? 405 ASP B CB 1 ATOM 3096 C CG . ASP A 1 387 ? -10.789 -46.584 -36.452 1.00 113.03 ? 405 ASP B CG 1 ATOM 3097 O OD1 . ASP A 1 387 ? -11.873 -47.196 -36.362 1.00 113.91 ? 405 ASP B OD1 1 ATOM 3098 O OD2 . ASP A 1 387 ? -10.251 -46.298 -37.541 1.00 115.27 ? 405 ASP B OD2 1 ATOM 3099 N N . PRO A 1 388 ? -10.298 -46.843 -31.880 1.00 109.78 ? 406 PRO B N 1 ATOM 3100 C CA . PRO A 1 388 ? -9.612 -46.733 -30.589 1.00 109.60 ? 406 PRO B CA 1 ATOM 3101 C C . PRO A 1 388 ? -8.111 -46.576 -30.768 1.00 110.39 ? 406 PRO B C 1 ATOM 3102 O O . PRO A 1 388 ? -7.516 -47.089 -31.718 1.00 114.01 ? 406 PRO B O 1 ATOM 3103 C CB . PRO A 1 388 ? -9.952 -48.056 -29.889 1.00 109.62 ? 406 PRO B CB 1 ATOM 3104 C CG . PRO A 1 388 ? -11.141 -48.604 -30.633 1.00 108.61 ? 406 PRO B CG 1 ATOM 3105 C CD . PRO A 1 388 ? -10.974 -48.140 -32.044 1.00 109.55 ? 406 PRO B CD 1 ATOM 3106 N N . SER A 1 389 ? -7.500 -45.847 -29.840 1.00 107.42 ? 407 SER B N 1 ATOM 3107 C CA . SER A 1 389 ? -6.056 -45.677 -29.818 1.00 109.80 ? 407 SER B CA 1 ATOM 3108 C C . SER A 1 389 ? -5.502 -46.220 -28.508 1.00 111.63 ? 407 SER B C 1 ATOM 3109 O O . SER A 1 389 ? -6.237 -46.448 -27.546 1.00 111.18 ? 407 SER B O 1 ATOM 3110 C CB . SER A 1 389 ? -5.663 -44.207 -29.987 1.00 107.70 ? 407 SER B CB 1 ATOM 3111 O OG . SER A 1 389 ? -6.180 -43.430 -28.926 1.00 106.72 ? 407 SER B OG 1 ATOM 3112 N N . LYS A 1 390 ? -4.189 -46.432 -28.478 1.00 112.15 ? 408 LYS B N 1 ATOM 3113 C CA . LYS A 1 390 ? -3.537 -46.990 -27.301 1.00 107.14 ? 408 LYS B CA 1 ATOM 3114 C C . LYS A 1 390 ? -2.182 -46.332 -27.106 1.00 101.55 ? 408 LYS B C 1 ATOM 3115 O O . LYS A 1 390 ? -1.400 -46.216 -28.055 1.00 99.71 ? 408 LYS B O 1 ATOM 3116 C CB . LYS A 1 390 ? -3.369 -48.512 -27.423 1.00 109.88 ? 408 LYS B CB 1 ATOM 3117 C CG . LYS A 1 390 ? -4.659 -49.302 -27.246 1.00 108.54 ? 408 LYS B CG 1 ATOM 3118 C CD . LYS A 1 390 ? -4.400 -50.800 -27.214 1.00 109.44 ? 408 LYS B CD 1 ATOM 3119 C CE . LYS A 1 390 ? -5.680 -51.568 -26.930 1.00 108.63 ? 408 LYS B CE 1 ATOM 3120 N NZ . LYS A 1 390 ? -5.449 -53.037 -26.905 1.00 112.62 ? 408 LYS B NZ 1 ATOM 3121 N N . SER A 1 391 ? -1.913 -45.902 -25.879 1.00 97.45 ? 409 SER B N 1 ATOM 3122 C CA . SER A 1 391 ? -0.602 -45.404 -25.496 1.00 97.74 ? 409 SER B CA 1 ATOM 3123 C C . SER A 1 391 ? -0.131 -46.177 -24.274 1.00 98.61 ? 409 SER B C 1 ATOM 3124 O O . SER A 1 391 ? -0.866 -46.981 -23.698 1.00 99.54 ? 409 SER B O 1 ATOM 3125 C CB . SER A 1 391 ? -0.632 -43.896 -25.207 1.00 94.82 ? 409 SER B CB 1 ATOM 3126 O OG . SER A 1 391 ? 0.610 -43.440 -24.695 1.00 94.26 ? 409 SER B OG 1 ATOM 3127 N N . VAL A 1 392 ? 1.120 -45.944 -23.893 1.00 97.99 ? 410 VAL B N 1 ATOM 3128 C CA . VAL A 1 392 ? 1.692 -46.514 -22.682 1.00 97.67 ? 410 VAL B CA 1 ATOM 3129 C C . VAL A 1 392 ? 2.139 -45.362 -21.794 1.00 97.27 ? 410 VAL B C 1 ATOM 3130 O O . VAL A 1 392 ? 2.673 -44.361 -22.284 1.00 95.64 ? 410 VAL B O 1 ATOM 3131 C CB . VAL A 1 392 ? 2.870 -47.462 -22.990 1.00 97.87 ? 410 VAL B CB 1 ATOM 3132 C CG1 . VAL A 1 392 ? 3.193 -48.323 -21.778 1.00 97.47 ? 410 VAL B CG1 1 ATOM 3133 C CG2 . VAL A 1 392 ? 2.560 -48.329 -24.204 1.00 101.66 ? 410 VAL B CG2 1 ATOM 3134 N N . THR A 1 393 ? 1.907 -45.502 -20.491 1.00 100.07 ? 411 THR B N 1 ATOM 3135 C CA . THR A 1 393 ? 2.284 -44.465 -19.539 1.00 104.31 ? 411 THR B CA 1 ATOM 3136 C C . THR A 1 393 ? 3.791 -44.235 -19.554 1.00 111.11 ? 411 THR B C 1 ATOM 3137 O O . THR A 1 393 ? 4.581 -45.161 -19.334 1.00 112.32 ? 411 THR B O 1 ATOM 3138 C CB . THR A 1 393 ? 1.805 -44.844 -18.137 1.00 102.83 ? 411 THR B CB 1 ATOM 3139 O OG1 . THR A 1 393 ? 0.404 -44.557 -18.016 1.00 101.18 ? 411 THR B OG1 1 ATOM 3140 C CG2 . THR A 1 393 ? 2.564 -44.074 -17.073 1.00 101.07 ? 411 THR B CG2 1 ATOM 3141 N N . ARG A 1 394 ? 4.182 -42.997 -19.846 1.00 116.04 ? 412 ARG B N 1 ATOM 3142 C CA . ARG A 1 394 ? 5.560 -42.576 -19.672 1.00 124.40 ? 412 ARG B CA 1 ATOM 3143 C C . ARG A 1 394 ? 5.958 -42.782 -18.223 1.00 129.85 ? 412 ARG B C 1 ATOM 3144 O O . ARG A 1 394 ? 5.262 -42.356 -17.294 1.00 136.21 ? 412 ARG B O 1 ATOM 3145 C CB . ARG A 1 394 ? 5.710 -41.104 -20.061 1.00 125.89 ? 412 ARG B CB 1 ATOM 3146 C CG . ARG A 1 394 ? 7.105 -40.518 -19.944 1.00 130.38 ? 412 ARG B CG 1 ATOM 3147 C CD . ARG A 1 394 ? 7.410 -39.595 -21.117 1.00 134.29 ? 412 ARG B CD 1 ATOM 3148 N NE . ARG A 1 394 ? 6.953 -38.222 -20.914 1.00 133.66 ? 412 ARG B NE 1 ATOM 3149 C CZ . ARG A 1 394 ? 5.772 -37.752 -21.304 1.00 132.23 ? 412 ARG B CZ 1 ATOM 3150 N NH1 . ARG A 1 394 ? 4.899 -38.541 -21.916 1.00 133.06 ? 412 ARG B NH1 1 ATOM 3151 N NH2 . ARG A 1 394 ? 5.465 -36.485 -21.085 1.00 129.33 ? 412 ARG B NH2 1 ATOM 3152 N N . VAL A 1 395 ? 7.076 -43.473 -18.031 1.00 126.90 ? 413 VAL B N 1 ATOM 3153 C CA . VAL A 1 395 ? 7.562 -43.751 -16.696 1.00 121.94 ? 413 VAL B CA 1 ATOM 3154 C C . VAL A 1 395 ? 8.492 -42.666 -16.215 1.00 120.41 ? 413 VAL B C 1 ATOM 3155 O O . VAL A 1 395 ? 8.908 -42.671 -15.048 1.00 113.92 ? 413 VAL B O 1 ATOM 3156 C CB . VAL A 1 395 ? 8.210 -45.152 -16.676 1.00 119.53 ? 413 VAL B CB 1 ATOM 3157 C CG1 . VAL A 1 395 ? 9.632 -45.128 -17.250 1.00 118.01 ? 413 VAL B CG1 1 ATOM 3158 C CG2 . VAL A 1 395 ? 8.137 -45.770 -15.278 1.00 118.29 ? 413 VAL B CG2 1 ATOM 3159 N N . ASP A 1 396 ? 8.758 -41.672 -17.057 1.00 125.69 ? 414 ASP B N 1 ATOM 3160 C CA . ASP A 1 396 ? 9.608 -40.586 -16.603 1.00 130.04 ? 414 ASP B CA 1 ATOM 3161 C C . ASP A 1 396 ? 8.789 -39.519 -15.895 1.00 134.62 ? 414 ASP B C 1 ATOM 3162 O O . ASP A 1 396 ? 9.262 -38.895 -14.936 1.00 134.85 ? 414 ASP B O 1 ATOM 3163 C CB . ASP A 1 396 ? 10.371 -40.006 -17.789 1.00 132.32 ? 414 ASP B CB 1 ATOM 3164 C CG . ASP A 1 396 ? 10.451 -40.974 -18.972 1.00 137.55 ? 414 ASP B CG 1 ATOM 3165 O OD1 . ASP A 1 396 ? 10.288 -42.216 -18.812 1.00 138.75 ? 414 ASP B OD1 1 ATOM 3166 O OD2 . ASP A 1 396 ? 10.691 -40.467 -20.084 1.00 139.53 ? 414 ASP B OD2 1 ATOM 3167 N N . ASP A 1 397 ? 7.549 -39.324 -16.337 1.00 141.70 ? 415 ASP B N 1 ATOM 3168 C CA . ASP A 1 397 ? 6.658 -38.333 -15.765 1.00 139.96 ? 415 ASP B CA 1 ATOM 3169 C C . ASP A 1 397 ? 5.289 -38.890 -15.402 1.00 128.85 ? 415 ASP B C 1 ATOM 3170 O O . ASP A 1 397 ? 4.460 -38.141 -14.879 1.00 123.84 ? 415 ASP B O 1 ATOM 3171 C CB . ASP A 1 397 ? 6.467 -37.162 -16.740 1.00 150.93 ? 415 ASP B CB 1 ATOM 3172 C CG . ASP A 1 397 ? 7.753 -36.760 -17.436 1.00 165.34 ? 415 ASP B CG 1 ATOM 3173 O OD1 . ASP A 1 397 ? 8.791 -36.599 -16.756 1.00 170.42 ? 415 ASP B OD1 1 ATOM 3174 O OD2 . ASP A 1 397 ? 7.715 -36.587 -18.671 1.00 171.25 ? 415 ASP B OD2 1 ATOM 3175 N N . GLY A 1 398 ? 5.007 -40.158 -15.694 1.00 129.22 ? 416 GLY B N 1 ATOM 3176 C CA . GLY A 1 398 ? 3.697 -40.710 -15.406 1.00 123.54 ? 416 GLY B CA 1 ATOM 3177 C C . GLY A 1 398 ? 2.644 -40.456 -16.465 1.00 116.76 ? 416 GLY B C 1 ATOM 3178 O O . GLY A 1 398 ? 1.485 -40.854 -16.274 1.00 115.08 ? 416 GLY B O 1 ATOM 3179 N N . VAL A 1 399 ? 3.009 -39.830 -17.578 1.00 112.97 ? 417 VAL B N 1 ATOM 3180 C CA . VAL A 1 399 ? 2.063 -39.346 -18.577 1.00 112.68 ? 417 VAL B CA 1 ATOM 3181 C C . VAL A 1 399 ? 1.812 -40.407 -19.640 1.00 114.10 ? 417 VAL B C 1 ATOM 3182 O O . VAL A 1 399 ? 2.703 -41.172 -20.013 1.00 117.19 ? 417 VAL B O 1 ATOM 3183 C CB . VAL A 1 399 ? 2.597 -38.037 -19.196 1.00 117.77 ? 417 VAL B CB 1 ATOM 3184 C CG1 . VAL A 1 399 ? 1.736 -37.584 -20.370 1.00 121.52 ? 417 VAL B CG1 1 ATOM 3185 C CG2 . VAL A 1 399 ? 2.681 -36.964 -18.130 1.00 117.00 ? 417 VAL B CG2 1 ATOM 3186 N N . ALA A 1 400 ? 0.579 -40.458 -20.144 1.00 110.02 ? 418 ALA B N 1 ATOM 3187 C CA . ALA A 1 400 ? 0.245 -41.261 -21.321 1.00 108.97 ? 418 ALA B CA 1 ATOM 3188 C C . ALA A 1 400 ? -0.417 -40.325 -22.328 1.00 105.47 ? 418 ALA B C 1 ATOM 3189 O O . ALA A 1 400 ? -1.578 -39.941 -22.162 1.00 106.05 ? 418 ALA B O 1 ATOM 3190 C CB . ALA A 1 400 ? -0.656 -42.435 -20.959 1.00 109.56 ? 418 ALA B CB 1 ATOM 3191 N N . SER A 1 401 ? 0.326 -39.950 -23.364 1.00 100.97 ? 419 SER B N 1 ATOM 3192 C CA . SER A 1 401 ? -0.078 -38.874 -24.253 1.00 99.51 ? 419 SER B CA 1 ATOM 3193 C C . SER A 1 401 ? -0.868 -39.397 -25.449 1.00 99.07 ? 419 SER B C 1 ATOM 3194 O O . SER A 1 401 ? -0.645 -40.508 -25.936 1.00 101.33 ? 419 SER B O 1 ATOM 3195 C CB . SER A 1 401 ? 1.148 -38.098 -24.740 1.00 104.35 ? 419 SER B CB 1 ATOM 3196 O OG . SER A 1 401 ? 0.774 -37.051 -25.616 1.00 107.63 ? 419 SER B OG 1 ATOM 3197 N N . PHE A 1 402 ? -1.804 -38.572 -25.913 1.00 95.46 ? 420 PHE B N 1 ATOM 3198 C CA . PHE A 1 402 ? -2.606 -38.853 -27.092 1.00 90.13 ? 420 PHE B CA 1 ATOM 3199 C C . PHE A 1 402 ? -2.749 -37.574 -27.901 1.00 84.59 ? 420 PHE B C 1 ATOM 3200 O O . PHE A 1 402 ? -2.780 -36.472 -27.351 1.00 83.01 ? 420 PHE B O 1 ATOM 3201 C CB . PHE A 1 402 ? -4.003 -39.383 -26.738 1.00 73.62 ? 420 PHE B CB 1 ATOM 3202 C CG . PHE A 1 402 ? -3.998 -40.719 -26.056 1.00 83.41 ? 420 PHE B CG 1 ATOM 3203 C CD1 . PHE A 1 402 ? -4.012 -41.889 -26.797 1.00 77.48 ? 420 PHE B CD1 1 ATOM 3204 C CD2 . PHE A 1 402 ? -3.999 -40.807 -24.671 1.00 79.80 ? 420 PHE B CD2 1 ATOM 3205 C CE1 . PHE A 1 402 ? -4.015 -43.123 -26.172 1.00 83.12 ? 420 PHE B CE1 1 ATOM 3206 C CE2 . PHE A 1 402 ? -4.001 -42.037 -24.040 1.00 78.68 ? 420 PHE B CE2 1 ATOM 3207 C CZ . PHE A 1 402 ? -4.011 -43.197 -24.792 1.00 82.41 ? 420 PHE B CZ 1 ATOM 3208 N N . VAL A 1 403 ? -2.828 -37.732 -29.217 1.00 83.62 ? 421 VAL B N 1 ATOM 3209 C CA . VAL A 1 403 ? -3.126 -36.638 -30.132 1.00 81.66 ? 421 VAL B CA 1 ATOM 3210 C C . VAL A 1 403 ? -4.238 -37.115 -31.053 1.00 83.53 ? 421 VAL B C 1 ATOM 3211 O O . VAL A 1 403 ? -4.186 -38.240 -31.561 1.00 86.86 ? 421 VAL B O 1 ATOM 3212 C CB . VAL A 1 403 ? -1.887 -36.204 -30.939 1.00 83.15 ? 421 VAL B CB 1 ATOM 3213 C CG1 . VAL A 1 403 ? -2.228 -35.035 -31.845 1.00 83.25 ? 421 VAL B CG1 1 ATOM 3214 C CG2 . VAL A 1 403 ? -0.743 -35.835 -30.006 1.00 81.09 ? 421 VAL B CG2 1 ATOM 3215 N N . LEU A 1 404 ? -5.244 -36.272 -31.260 1.00 82.38 ? 422 LEU B N 1 ATOM 3216 C CA . LEU A 1 404 ? -6.457 -36.676 -31.957 1.00 82.47 ? 422 LEU B CA 1 ATOM 3217 C C . LEU A 1 404 ? -6.762 -35.700 -33.085 1.00 82.86 ? 422 LEU B C 1 ATOM 3218 O O . LEU A 1 404 ? -6.802 -34.485 -32.866 1.00 81.10 ? 422 LEU B O 1 ATOM 3219 C CB . LEU A 1 404 ? -7.631 -36.752 -30.976 1.00 78.64 ? 422 LEU B CB 1 ATOM 3220 C CG . LEU A 1 404 ? -8.692 -37.813 -31.251 1.00 77.78 ? 422 LEU B CG 1 ATOM 3221 C CD1 . LEU A 1 404 ? -8.041 -39.174 -31.393 1.00 78.34 ? 422 LEU B CD1 1 ATOM 3222 C CD2 . LEU A 1 404 ? -9.712 -37.824 -30.129 1.00 76.46 ? 422 LEU B CD2 1 ATOM 3223 N N . ASN A 1 405 ? -6.979 -36.234 -34.289 1.00 85.69 ? 423 ASN B N 1 ATOM 3224 C CA . ASN A 1 405 ? -7.349 -35.440 -35.459 1.00 86.54 ? 423 ASN B CA 1 ATOM 3225 C C . ASN A 1 405 ? -8.841 -35.619 -35.718 1.00 85.66 ? 423 ASN B C 1 ATOM 3226 O O . ASN A 1 405 ? -9.289 -36.714 -36.075 1.00 88.05 ? 423 ASN B O 1 ATOM 3227 C CB . ASN A 1 405 ? -6.535 -35.851 -36.684 1.00 92.36 ? 423 ASN B CB 1 ATOM 3228 C CG . ASN A 1 405 ? -5.107 -35.357 -36.626 1.00 95.29 ? 423 ASN B CG 1 ATOM 3229 O OD1 . ASN A 1 405 ? -4.801 -34.398 -35.922 1.00 96.81 ? 423 ASN B OD1 1 ATOM 3230 N ND2 . ASN A 1 405 ? -4.224 -36.008 -37.374 1.00 97.86 ? 423 ASN B ND2 1 ATOM 3231 N N . LEU A 1 406 ? -9.607 -34.540 -35.549 1.00 81.26 ? 424 LEU B N 1 ATOM 3232 C CA . LEU A 1 406 ? -11.050 -34.575 -35.718 1.00 79.77 ? 424 LEU B CA 1 ATOM 3233 C C . LEU A 1 406 ? -11.473 -33.745 -36.926 1.00 83.69 ? 424 LEU B C 1 ATOM 3234 O O . LEU A 1 406 ? -10.772 -32.805 -37.315 1.00 84.70 ? 424 LEU B O 1 ATOM 3235 C CB . LEU A 1 406 ? -11.761 -34.043 -34.468 1.00 73.79 ? 424 LEU B CB 1 ATOM 3236 C CG . LEU A 1 406 ? -11.317 -34.653 -33.134 1.00 74.84 ? 424 LEU B CG 1 ATOM 3237 C CD1 . LEU A 1 406 ? -12.038 -34.005 -31.957 1.00 72.25 ? 424 LEU B CD1 1 ATOM 3238 C CD2 . LEU A 1 406 ? -11.532 -36.156 -33.138 1.00 76.52 ? 424 LEU B CD2 1 ATOM 3239 N N . PRO A 1 407 ? -12.603 -34.078 -37.553 1.00 86.47 ? 425 PRO B N 1 ATOM 3240 C CA . PRO A 1 407 ? -13.107 -33.241 -38.647 1.00 88.20 ? 425 PRO B CA 1 ATOM 3241 C C . PRO A 1 407 ? -13.395 -31.829 -38.164 1.00 89.43 ? 425 PRO B C 1 ATOM 3242 O O . PRO A 1 407 ? -13.682 -31.596 -36.988 1.00 88.07 ? 425 PRO B O 1 ATOM 3243 C CB . PRO A 1 407 ? -14.391 -33.958 -39.082 1.00 89.13 ? 425 PRO B CB 1 ATOM 3244 C CG . PRO A 1 407 ? -14.185 -35.377 -38.665 1.00 90.54 ? 425 PRO B CG 1 ATOM 3245 C CD . PRO A 1 407 ? -13.400 -35.304 -37.385 1.00 88.83 ? 425 PRO B CD 1 ATOM 3246 N N . SER A 1 408 ? -13.304 -30.875 -39.093 1.00 92.47 ? 426 SER B N 1 ATOM 3247 C CA . SER A 1 408 ? -13.472 -29.474 -38.722 1.00 92.09 ? 426 SER B CA 1 ATOM 3248 C C . SER A 1 408 ? -14.888 -29.181 -38.247 1.00 87.84 ? 426 SER B C 1 ATOM 3249 O O . SER A 1 408 ? -15.095 -28.249 -37.461 1.00 85.88 ? 426 SER B O 1 ATOM 3250 C CB . SER A 1 408 ? -13.108 -28.572 -39.901 1.00 101.26 ? 426 SER B CB 1 ATOM 3251 O OG . SER A 1 408 ? -13.881 -28.893 -41.045 1.00 109.25 ? 426 SER B OG 1 ATOM 3252 N N . GLY A 1 409 ? -15.866 -29.962 -38.696 1.00 89.20 ? 427 GLY B N 1 ATOM 3253 C CA . GLY A 1 409 ? -17.244 -29.735 -38.320 1.00 88.22 ? 427 GLY B CA 1 ATOM 3254 C C . GLY A 1 409 ? -17.676 -30.318 -36.995 1.00 81.54 ? 427 GLY B C 1 ATOM 3255 O O . GLY A 1 409 ? -18.844 -30.172 -36.627 1.00 77.40 ? 427 GLY B O 1 ATOM 3256 N N . VAL A 1 410 ? -16.773 -30.970 -36.259 1.00 79.03 ? 428 VAL B N 1 ATOM 3257 C CA . VAL A 1 410 ? -17.162 -31.615 -35.011 1.00 79.61 ? 428 VAL B CA 1 ATOM 3258 C C . VAL A 1 410 ? -17.485 -30.559 -33.960 1.00 76.58 ? 428 VAL B C 1 ATOM 3259 O O . VAL A 1 410 ? -16.887 -29.475 -33.919 1.00 76.36 ? 428 VAL B O 1 ATOM 3260 C CB . VAL A 1 410 ? -16.062 -32.573 -34.518 1.00 83.31 ? 428 VAL B CB 1 ATOM 3261 C CG1 . VAL A 1 410 ? -14.851 -31.798 -34.025 1.00 86.12 ? 428 VAL B CG1 1 ATOM 3262 C CG2 . VAL A 1 410 ? -16.595 -33.471 -33.420 1.00 81.59 ? 428 VAL B CG2 1 ATOM 3263 N N . THR A 1 411 ? -18.454 -30.870 -33.109 1.00 73.15 ? 429 THR B N 1 ATOM 3264 C CA . THR A 1 411 ? -18.855 -29.970 -32.036 1.00 68.40 ? 429 THR B CA 1 ATOM 3265 C C . THR A 1 411 ? -18.652 -30.561 -30.654 1.00 68.97 ? 429 THR B C 1 ATOM 3266 O O . THR A 1 411 ? -18.211 -29.852 -29.745 1.00 70.53 ? 429 THR B O 1 ATOM 3267 C CB . THR A 1 411 ? -20.326 -29.567 -32.196 1.00 65.45 ? 429 THR B CB 1 ATOM 3268 O OG1 . THR A 1 411 ? -21.152 -30.738 -32.153 1.00 63.15 ? 429 THR B OG1 1 ATOM 3269 C CG2 . THR A 1 411 ? -20.532 -28.846 -33.517 1.00 62.88 ? 429 THR B CG2 1 ATOM 3270 N N . VAL A 1 412 ? -18.967 -31.838 -30.462 1.00 67.39 ? 430 VAL B N 1 ATOM 3271 C CA . VAL A 1 412 ? -18.819 -32.479 -29.162 1.00 65.26 ? 430 VAL B CA 1 ATOM 3272 C C . VAL A 1 412 ? -17.964 -33.725 -29.328 1.00 69.68 ? 430 VAL B C 1 ATOM 3273 O O . VAL A 1 412 ? -18.140 -34.486 -30.287 1.00 70.63 ? 430 VAL B O 1 ATOM 3274 C CB . VAL A 1 412 ? -20.186 -32.830 -28.538 1.00 64.40 ? 430 VAL B CB 1 ATOM 3275 C CG1 . VAL A 1 412 ? -20.003 -33.482 -27.175 1.00 61.92 ? 430 VAL B CG1 1 ATOM 3276 C CG2 . VAL A 1 412 ? -21.048 -31.586 -28.417 1.00 61.04 ? 430 VAL B CG2 1 ATOM 3277 N N . LEU A 1 413 ? -17.033 -33.925 -28.395 1.00 71.49 ? 431 LEU B N 1 ATOM 3278 C CA . LEU A 1 413 ? -16.176 -35.105 -28.345 1.00 63.68 ? 431 LEU B CA 1 ATOM 3279 C C . LEU A 1 413 ? -16.386 -35.792 -27.003 1.00 63.33 ? 431 LEU B C 1 ATOM 3280 O O . LEU A 1 413 ? -15.975 -35.266 -25.964 1.00 66.66 ? 431 LEU B O 1 ATOM 3281 C CB . LEU A 1 413 ? -14.709 -34.727 -28.533 1.00 63.75 ? 431 LEU B CB 1 ATOM 3282 C CG . LEU A 1 413 ? -13.703 -35.861 -28.339 1.00 70.83 ? 431 LEU B CG 1 ATOM 3283 C CD1 . LEU A 1 413 ? -13.755 -36.829 -29.510 1.00 68.08 ? 431 LEU B CD1 1 ATOM 3284 C CD2 . LEU A 1 413 ? -12.300 -35.306 -28.151 1.00 69.10 ? 431 LEU B CD2 1 ATOM 3285 N N . GLU A 1 414 ? -17.022 -36.960 -27.023 1.00 65.24 ? 432 GLU B N 1 ATOM 3286 C CA . GLU A 1 414 ? -17.241 -37.773 -25.827 1.00 66.95 ? 432 GLU B CA 1 ATOM 3287 C C . GLU A 1 414 ? -16.202 -38.887 -25.830 1.00 73.17 ? 432 GLU B C 1 ATOM 3288 O O . GLU A 1 414 ? -16.391 -39.918 -26.479 1.00 74.91 ? 432 GLU B O 1 ATOM 3289 C CB . GLU A 1 414 ? -18.655 -38.345 -25.805 1.00 68.74 ? 432 GLU B CB 1 ATOM 3290 C CG . GLU A 1 414 ? -19.746 -37.346 -25.478 1.00 75.73 ? 432 GLU B CG 1 ATOM 3291 C CD . GLU A 1 414 ? -19.941 -37.162 -23.986 1.00 88.24 ? 432 GLU B CD 1 ATOM 3292 O OE1 . GLU A 1 414 ? -19.160 -37.742 -23.200 1.00 91.04 ? 432 GLU B OE1 1 ATOM 3293 O OE2 . GLU A 1 414 ? -20.883 -36.441 -23.597 1.00 94.09 ? 432 GLU B OE2 1 ATOM 3294 N N . PHE A 1 415 ? -15.102 -38.689 -25.106 1.00 76.79 ? 433 PHE B N 1 ATOM 3295 C CA . PHE A 1 415 ? -14.026 -39.669 -25.112 1.00 80.33 ? 433 PHE B CA 1 ATOM 3296 C C . PHE A 1 415 ? -13.886 -40.322 -23.744 1.00 81.04 ? 433 PHE B C 1 ATOM 3297 O O . PHE A 1 415 ? -14.127 -39.699 -22.708 1.00 78.32 ? 433 PHE B O 1 ATOM 3298 C CB . PHE A 1 415 ? -12.692 -39.050 -25.561 1.00 78.45 ? 433 PHE B CB 1 ATOM 3299 C CG . PHE A 1 415 ? -12.137 -38.004 -24.631 1.00 71.27 ? 433 PHE B CG 1 ATOM 3300 C CD1 . PHE A 1 415 ? -12.536 -36.684 -24.735 1.00 67.76 ? 433 PHE B CD1 1 ATOM 3301 C CD2 . PHE A 1 415 ? -11.179 -38.335 -23.687 1.00 70.23 ? 433 PHE B CD2 1 ATOM 3302 C CE1 . PHE A 1 415 ? -12.013 -35.718 -23.895 1.00 63.66 ? 433 PHE B CE1 1 ATOM 3303 C CE2 . PHE A 1 415 ? -10.651 -37.371 -22.844 1.00 66.31 ? 433 PHE B CE2 1 ATOM 3304 C CZ . PHE A 1 415 ? -11.068 -36.062 -22.952 1.00 63.38 ? 433 PHE B CZ 1 ATOM 3305 N N . ASN A 1 416 ? -13.505 -41.595 -23.763 1.00 87.04 ? 434 ASN B N 1 ATOM 3306 C CA . ASN A 1 416 ? -13.418 -42.434 -22.578 1.00 92.21 ? 434 ASN B CA 1 ATOM 3307 C C . ASN A 1 416 ? -12.062 -43.124 -22.562 1.00 90.32 ? 434 ASN B C 1 ATOM 3308 O O . ASN A 1 416 ? -11.582 -43.584 -23.603 1.00 90.28 ? 434 ASN B O 1 ATOM 3309 C CB . ASN A 1 416 ? -14.561 -43.468 -22.565 1.00 103.50 ? 434 ASN B CB 1 ATOM 3310 C CG . ASN A 1 416 ? -14.307 -44.619 -21.611 1.00 115.44 ? 434 ASN B CG 1 ATOM 3311 O OD1 . ASN A 1 416 ? -13.854 -45.690 -22.019 1.00 118.55 ? 434 ASN B OD1 1 ATOM 3312 N ND2 . ASN A 1 416 ? -14.609 -44.409 -20.334 1.00 117.89 ? 434 ASN B ND2 1 ATOM 3313 N N . VAL A 1 417 ? -11.443 -43.192 -21.383 1.00 86.47 ? 435 VAL B N 1 ATOM 3314 C CA . VAL A 1 417 ? -10.121 -43.785 -21.220 1.00 85.53 ? 435 VAL B CA 1 ATOM 3315 C C . VAL A 1 417 ? -10.194 -44.943 -20.233 1.00 88.30 ? 435 VAL B C 1 ATOM 3316 O O . VAL A 1 417 ? -10.936 -44.890 -19.243 1.00 87.41 ? 435 VAL B O 1 ATOM 3317 C CB . VAL A 1 417 ? -9.084 -42.741 -20.760 1.00 76.65 ? 435 VAL B CB 1 ATOM 3318 C CG1 . VAL A 1 417 ? -8.926 -41.678 -21.820 1.00 75.96 ? 435 VAL B CG1 1 ATOM 3319 C CG2 . VAL A 1 417 ? -9.507 -42.117 -19.444 1.00 70.70 ? 435 VAL B CG2 1 ATOM 3320 N N . LYS A 1 418 ? -9.412 -45.989 -20.509 1.00 92.12 ? 436 LYS B N 1 ATOM 3321 C CA . LYS A 1 418 ? -9.346 -47.170 -19.657 1.00 93.25 ? 436 LYS B CA 1 ATOM 3322 C C . LYS A 1 418 ? -7.904 -47.645 -19.539 1.00 93.98 ? 436 LYS B C 1 ATOM 3323 O O . LYS A 1 418 ? -7.071 -47.390 -20.411 1.00 91.46 ? 436 LYS B O 1 ATOM 3324 C CB . LYS A 1 418 ? -10.217 -48.315 -20.193 1.00 100.81 ? 436 LYS B CB 1 ATOM 3325 C CG . LYS A 1 418 ? -11.641 -48.329 -19.667 1.00 105.02 ? 436 LYS B CG 1 ATOM 3326 C CD . LYS A 1 418 ? -12.299 -49.680 -19.914 1.00 111.90 ? 436 LYS B CD 1 ATOM 3327 C CE . LYS A 1 418 ? -13.670 -49.761 -19.262 1.00 113.28 ? 436 LYS B CE 1 ATOM 3328 N NZ . LYS A 1 418 ? -14.261 -51.122 -19.384 1.00 115.77 ? 436 LYS B NZ 1 ATOM 3329 N N . THR A 1 419 ? -7.616 -48.345 -18.444 1.00 96.07 ? 437 THR B N 1 ATOM 3330 C CA . THR A 1 419 ? -6.327 -48.998 -18.271 1.00 95.75 ? 437 THR B CA 1 ATOM 3331 C C . THR A 1 419 ? -6.383 -50.408 -18.842 1.00 95.51 ? 437 THR B C 1 ATOM 3332 O O . THR A 1 419 ? -7.424 -51.069 -18.817 1.00 95.90 ? 437 THR B O 1 ATOM 3333 C CB . THR A 1 419 ? -5.910 -49.051 -16.795 1.00 91.93 ? 437 THR B CB 1 ATOM 3334 O OG1 . THR A 1 419 ? -6.930 -49.686 -16.010 1.00 74.55 ? 437 THR B OG1 1 ATOM 3335 C CG2 . THR A 1 419 ? -5.664 -47.656 -16.270 1.00 71.84 ? 437 THR B CG2 1 ATOM 3336 N N . ASP A 1 420 ? -5.247 -50.858 -19.378 1.00 96.72 ? 438 ASP B N 1 ATOM 3337 C CA . ASP A 1 420 ? -5.138 -52.177 -20.004 1.00 104.91 ? 438 ASP B CA 1 ATOM 3338 C C . ASP A 1 420 ? -3.965 -52.900 -19.344 1.00 110.40 ? 438 ASP B C 1 ATOM 3339 O O . ASP A 1 420 ? -2.881 -53.014 -19.919 1.00 112.98 ? 438 ASP B O 1 ATOM 3340 C CB . ASP A 1 420 ? -4.969 -52.057 -21.523 1.00 109.38 ? 438 ASP B CB 1 ATOM 3341 C CG . ASP A 1 420 ? -5.307 -53.344 -22.249 1.00 117.84 ? 438 ASP B CG 1 ATOM 3342 O OD1 . ASP A 1 420 ? -5.991 -54.195 -21.643 1.00 120.40 ? 438 ASP B OD1 1 ATOM 3343 O OD2 . ASP A 1 420 ? -4.899 -53.505 -23.421 1.00 119.99 ? 438 ASP B OD2 1 ATOM 3344 N N . ALA A 1 421 ? -4.192 -53.388 -18.111 1.00 113.92 ? 439 ALA B N 1 ATOM 3345 C CA . ALA A 1 421 ? -3.154 -54.111 -17.387 1.00 118.65 ? 439 ALA B CA 1 ATOM 3346 C C . ALA A 1 421 ? -3.215 -55.599 -17.721 1.00 126.21 ? 439 ALA B C 1 ATOM 3347 O O . ALA A 1 421 ? -4.306 -56.162 -17.855 1.00 128.91 ? 439 ALA B O 1 ATOM 3348 C CB . ALA A 1 421 ? -3.309 -53.918 -15.883 1.00 117.87 ? 439 ALA B CB 1 ATOM 3349 N N . PRO A 1 422 ? -2.058 -56.252 -17.862 1.00 130.29 ? 440 PRO B N 1 ATOM 3350 C CA . PRO A 1 422 ? -2.063 -57.675 -18.239 1.00 135.21 ? 440 PRO B CA 1 ATOM 3351 C C . PRO A 1 422 ? -2.621 -58.591 -17.166 1.00 134.87 ? 440 PRO B C 1 ATOM 3352 O O . PRO A 1 422 ? -3.003 -59.725 -17.487 1.00 138.05 ? 440 PRO B O 1 ATOM 3353 C CB . PRO A 1 422 ? -0.580 -57.976 -18.505 1.00 136.98 ? 440 PRO B CB 1 ATOM 3354 C CG . PRO A 1 422 ? 0.076 -56.633 -18.664 1.00 133.17 ? 440 PRO B CG 1 ATOM 3355 C CD . PRO A 1 422 ? -0.694 -55.706 -17.784 1.00 128.73 ? 440 PRO B CD 1 ATOM 3356 N N . ASP A 1 423 ? -2.687 -58.146 -15.912 1.00 129.61 ? 441 ASP B N 1 ATOM 3357 C CA . ASP A 1 423 ? -3.092 -59.006 -14.808 1.00 128.60 ? 441 ASP B CA 1 ATOM 3358 C C . ASP A 1 423 ? -4.395 -58.563 -14.154 1.00 120.20 ? 441 ASP B C 1 ATOM 3359 O O . ASP A 1 423 ? -4.776 -59.122 -13.119 1.00 120.28 ? 441 ASP B O 1 ATOM 3360 C CB . ASP A 1 423 ? -1.980 -59.073 -13.758 1.00 133.79 ? 441 ASP B CB 1 ATOM 3361 C CG . ASP A 1 423 ? -0.657 -59.537 -14.338 1.00 141.09 ? 441 ASP B CG 1 ATOM 3362 O OD1 . ASP A 1 423 ? -0.666 -60.371 -15.269 1.00 143.22 ? 441 ASP B OD1 1 ATOM 3363 O OD2 . ASP A 1 423 ? 0.396 -59.065 -13.858 1.00 143.15 ? 441 ASP B OD2 1 ATOM 3364 N N . LEU A 1 424 ? -5.088 -57.581 -14.722 1.00 113.66 ? 442 LEU B N 1 ATOM 3365 C CA . LEU A 1 424 ? -6.314 -57.084 -14.117 1.00 106.56 ? 442 LEU B CA 1 ATOM 3366 C C . LEU A 1 424 ? -7.529 -57.571 -14.888 1.00 105.71 ? 442 LEU B C 1 ATOM 3367 O O . LEU A 1 424 ? -7.530 -57.527 -16.126 1.00 102.80 ? 442 LEU B O 1 ATOM 3368 C CB . LEU A 1 424 ? -6.313 -55.551 -14.070 1.00 99.65 ? 442 LEU B CB 1 ATOM 3369 C CG . LEU A 1 424 ? -5.459 -54.872 -13.000 1.00 96.47 ? 442 LEU B CG 1 ATOM 3370 C CD1 . LEU A 1 424 ? -5.616 -53.360 -13.068 1.00 91.06 ? 442 LEU B CD1 1 ATOM 3371 C CD2 . LEU A 1 424 ? -5.836 -55.384 -11.624 1.00 95.76 ? 442 LEU B CD2 1 ATOM 3372 N N . PRO A 1 425 ? -8.565 -58.055 -14.203 1.00 107.34 ? 443 PRO B N 1 ATOM 3373 C CA . PRO A 1 425 ? -9.845 -58.302 -14.875 1.00 111.85 ? 443 PRO B CA 1 ATOM 3374 C C . PRO A 1 425 ? -10.466 -57.001 -15.360 1.00 117.15 ? 443 PRO B C 1 ATOM 3375 O O . PRO A 1 425 ? -10.081 -55.903 -14.952 1.00 116.58 ? 443 PRO B O 1 ATOM 3376 C CB . PRO A 1 425 ? -10.702 -58.957 -13.784 1.00 107.78 ? 443 PRO B CB 1 ATOM 3377 C CG . PRO A 1 425 ? -9.718 -59.523 -12.819 1.00 105.77 ? 443 PRO B CG 1 ATOM 3378 C CD . PRO A 1 425 ? -8.555 -58.575 -12.826 1.00 104.59 ? 443 PRO B CD 1 ATOM 3379 N N . GLU A 1 426 ? -11.457 -57.138 -16.243 1.00 123.68 ? 444 GLU B N 1 ATOM 3380 C CA . GLU A 1 426 ? -12.057 -55.960 -16.860 1.00 126.48 ? 444 GLU B CA 1 ATOM 3381 C C . GLU A 1 426 ? -12.775 -55.091 -15.839 1.00 120.62 ? 444 GLU B C 1 ATOM 3382 O O . GLU A 1 426 ? -12.865 -53.872 -16.021 1.00 118.90 ? 444 GLU B O 1 ATOM 3383 C CB . GLU A 1 426 ? -13.018 -56.378 -17.971 1.00 139.02 ? 444 GLU B CB 1 ATOM 3384 C CG . GLU A 1 426 ? -12.381 -57.227 -19.063 1.00 153.18 ? 444 GLU B CG 1 ATOM 3385 C CD . GLU A 1 426 ? -11.255 -56.513 -19.792 1.00 160.11 ? 444 GLU B CD 1 ATOM 3386 O OE1 . GLU A 1 426 ? -10.126 -56.462 -19.257 1.00 162.08 ? 444 GLU B OE1 1 ATOM 3387 O OE2 . GLU A 1 426 ? -11.501 -56.001 -20.904 1.00 163.08 ? 444 GLU B OE2 1 ATOM 3388 N N . GLU A 1 427 ? -13.289 -55.692 -14.765 1.00 118.94 ? 445 GLU B N 1 ATOM 3389 C CA . GLU A 1 427 ? -13.935 -54.898 -13.725 1.00 115.22 ? 445 GLU B CA 1 ATOM 3390 C C . GLU A 1 427 ? -12.914 -54.092 -12.933 1.00 107.90 ? 445 GLU B C 1 ATOM 3391 O O . GLU A 1 427 ? -13.144 -52.917 -12.627 1.00 104.82 ? 445 GLU B O 1 ATOM 3392 C CB . GLU A 1 427 ? -14.740 -55.802 -12.793 1.00 118.52 ? 445 GLU B CB 1 ATOM 3393 C CG . GLU A 1 427 ? -15.953 -56.446 -13.437 1.00 123.07 ? 445 GLU B CG 1 ATOM 3394 C CD . GLU A 1 427 ? -16.739 -57.304 -12.464 1.00 126.19 ? 445 GLU B CD 1 ATOM 3395 O OE1 . GLU A 1 427 ? -16.230 -57.567 -11.354 1.00 123.34 ? 445 GLU B OE1 1 ATOM 3396 O OE2 . GLU A 1 427 ? -17.866 -57.715 -12.809 1.00 130.36 ? 445 GLU B OE2 1 ATOM 3397 N N . ASN A 1 428 ? -11.778 -54.703 -12.605 1.00 105.24 ? 446 ASN B N 1 ATOM 3398 C CA . ASN A 1 428 ? -10.749 -54.074 -11.787 1.00 96.63 ? 446 ASN B CA 1 ATOM 3399 C C . ASN A 1 428 ? -9.885 -53.088 -12.566 1.00 94.25 ? 446 ASN B C 1 ATOM 3400 O O . ASN A 1 428 ? -8.872 -52.620 -12.034 1.00 92.19 ? 446 ASN B O 1 ATOM 3401 C CB . ASN A 1 428 ? -9.871 -55.150 -11.141 1.00 91.00 ? 446 ASN B CB 1 ATOM 3402 C CG . ASN A 1 428 ? -10.686 -56.180 -10.381 1.00 88.85 ? 446 ASN B CG 1 ATOM 3403 O OD1 . ASN A 1 428 ? -10.557 -57.383 -10.605 1.00 88.52 ? 446 ASN B OD1 1 ATOM 3404 N ND2 . ASN A 1 428 ? -11.542 -55.709 -9.482 1.00 87.18 ? 446 ASN B ND2 1 ATOM 3405 N N . GLN A 1 429 ? -10.252 -52.768 -13.803 1.00 92.60 ? 447 GLN B N 1 ATOM 3406 C CA . GLN A 1 429 ? -9.555 -51.739 -14.554 1.00 85.79 ? 447 GLN B CA 1 ATOM 3407 C C . GLN A 1 429 ? -10.117 -50.363 -14.209 1.00 77.76 ? 447 GLN B C 1 ATOM 3408 O O . GLN A 1 429 ? -11.249 -50.225 -13.735 1.00 75.04 ? 447 GLN B O 1 ATOM 3409 C CB . GLN A 1 429 ? -9.676 -51.992 -16.057 1.00 86.25 ? 447 GLN B CB 1 ATOM 3410 C CG . GLN A 1 429 ? -9.102 -53.324 -16.527 1.00 89.21 ? 447 GLN B CG 1 ATOM 3411 C CD . GLN A 1 429 ? -7.588 -53.309 -16.644 1.00 87.16 ? 447 GLN B CD 1 ATOM 3412 O OE1 . GLN A 1 429 ? -6.933 -52.331 -16.283 1.00 85.11 ? 447 GLN B OE1 1 ATOM 3413 N NE2 . GLN A 1 429 ? -7.025 -54.396 -17.160 1.00 85.43 ? 447 GLN B NE2 1 ATOM 3414 N N . ALA A 1 430 ? -9.306 -49.337 -14.451 1.00 76.02 ? 448 ALA B N 1 ATOM 3415 C CA . ALA A 1 430 ? -9.707 -47.958 -14.201 1.00 73.43 ? 448 ALA B CA 1 ATOM 3416 C C . ALA A 1 430 ? -10.323 -47.353 -15.456 1.00 79.13 ? 448 ALA B C 1 ATOM 3417 O O . ALA A 1 430 ? -9.790 -47.503 -16.558 1.00 79.86 ? 448 ALA B O 1 ATOM 3418 C CB . ALA A 1 430 ? -8.513 -47.117 -13.750 1.00 68.40 ? 448 ALA B CB 1 ATOM 3419 N N . ARG A 1 431 ? -11.443 -46.659 -15.279 1.00 79.26 ? 449 ARG B N 1 ATOM 3420 C CA . ARG A 1 431 ? -12.190 -46.104 -16.395 1.00 84.14 ? 449 ARG B CA 1 ATOM 3421 C C . ARG A 1 431 ? -12.649 -44.697 -16.049 1.00 83.08 ? 449 ARG B C 1 ATOM 3422 O O . ARG A 1 431 ? -13.150 -44.453 -14.947 1.00 82.25 ? 449 ARG B O 1 ATOM 3423 C CB . ARG A 1 431 ? -13.395 -46.992 -16.739 1.00 90.36 ? 449 ARG B CB 1 ATOM 3424 C CG . ARG A 1 431 ? -14.352 -47.210 -15.573 1.00 92.80 ? 449 ARG B CG 1 ATOM 3425 C CD . ARG A 1 431 ? -15.242 -48.411 -15.797 1.00 99.26 ? 449 ARG B CD 1 ATOM 3426 N NE . ARG A 1 431 ? -14.483 -49.654 -15.725 1.00 104.26 ? 449 ARG B NE 1 ATOM 3427 C CZ . ARG A 1 431 ? -15.019 -50.859 -15.874 1.00 110.88 ? 449 ARG B CZ 1 ATOM 3428 N NH1 . ARG A 1 431 ? -16.319 -50.979 -16.103 1.00 112.19 ? 449 ARG B NH1 1 ATOM 3429 N NH2 . ARG A 1 431 ? -14.257 -51.940 -15.793 1.00 116.60 ? 449 ARG B NH2 1 ATOM 3430 N N . GLU A 1 432 ? -12.468 -43.767 -16.987 1.00 82.95 ? 450 GLU B N 1 ATOM 3431 C CA . GLU A 1 432 ? -12.916 -42.394 -16.785 1.00 80.79 ? 450 GLU B CA 1 ATOM 3432 C C . GLU A 1 432 ? -13.472 -41.839 -18.086 1.00 80.23 ? 450 GLU B C 1 ATOM 3433 O O . GLU A 1 432 ? -12.908 -42.069 -19.159 1.00 85.86 ? 450 GLU B O 1 ATOM 3434 C CB . GLU A 1 432 ? -11.782 -41.491 -16.276 1.00 83.99 ? 450 GLU B CB 1 ATOM 3435 C CG . GLU A 1 432 ? -11.301 -41.806 -14.861 1.00 86.03 ? 450 GLU B CG 1 ATOM 3436 C CD . GLU A 1 432 ? -12.389 -41.641 -13.814 1.00 84.71 ? 450 GLU B CD 1 ATOM 3437 O OE1 . GLU A 1 432 ? -13.266 -40.771 -13.995 1.00 84.63 ? 450 GLU B OE1 1 ATOM 3438 O OE2 . GLU A 1 432 ? -12.368 -42.386 -12.812 1.00 84.27 ? 450 GLU B OE2 1 ATOM 3439 N N . GLY A 1 433 ? -14.578 -41.104 -17.982 1.00 75.62 ? 451 GLY B N 1 ATOM 3440 C CA . GLY A 1 433 ? -15.238 -40.512 -19.132 1.00 71.65 ? 451 GLY B CA 1 ATOM 3441 C C . GLY A 1 433 ? -15.090 -39.003 -19.138 1.00 68.32 ? 451 GLY B C 1 ATOM 3442 O O . GLY A 1 433 ? -14.961 -38.374 -18.087 1.00 73.37 ? 451 GLY B O 1 ATOM 3443 N N . TYR A 1 434 ? -15.111 -38.419 -20.334 1.00 67.10 ? 452 TYR B N 1 ATOM 3444 C CA . TYR A 1 434 ? -14.937 -36.982 -20.486 1.00 63.51 ? 452 TYR B CA 1 ATOM 3445 C C . TYR A 1 434 ? -15.690 -36.493 -21.714 1.00 65.69 ? 452 TYR B C 1 ATOM 3446 O O . TYR A 1 434 ? -15.888 -37.232 -22.686 1.00 71.72 ? 452 TYR B O 1 ATOM 3447 C CB . TYR A 1 434 ? -13.461 -36.590 -20.612 1.00 62.75 ? 452 TYR B CB 1 ATOM 3448 C CG . TYR A 1 434 ? -12.604 -36.946 -19.422 1.00 60.54 ? 452 TYR B CG 1 ATOM 3449 C CD1 . TYR A 1 434 ? -12.614 -36.164 -18.277 1.00 55.37 ? 452 TYR B CD1 1 ATOM 3450 C CD2 . TYR A 1 434 ? -11.770 -38.056 -19.451 1.00 61.38 ? 452 TYR B CD2 1 ATOM 3451 C CE1 . TYR A 1 434 ? -11.826 -36.482 -17.192 1.00 53.69 ? 452 TYR B CE1 1 ATOM 3452 C CE2 . TYR A 1 434 ? -10.981 -38.381 -18.371 1.00 57.51 ? 452 TYR B CE2 1 ATOM 3453 C CZ . TYR A 1 434 ? -11.014 -37.591 -17.244 1.00 57.33 ? 452 TYR B CZ 1 ATOM 3454 O OH . TYR A 1 434 ? -10.227 -37.911 -16.163 1.00 60.15 ? 452 TYR B OH 1 ATOM 3455 N N . ARG A 1 435 ? -16.084 -35.223 -21.659 1.00 64.50 ? 453 ARG B N 1 ATOM 3456 C CA . ARG A 1 435 ? -16.798 -34.548 -22.733 1.00 66.39 ? 453 ARG B CA 1 ATOM 3457 C C . ARG A 1 435 ? -16.119 -33.214 -23.003 1.00 62.94 ? 453 ARG B C 1 ATOM 3458 O O . ARG A 1 435 ? -15.842 -32.455 -22.069 1.00 63.19 ? 453 ARG B O 1 ATOM 3459 C CB . ARG A 1 435 ? -18.270 -34.331 -22.366 1.00 67.80 ? 453 ARG B CB 1 ATOM 3460 C CG . ARG A 1 435 ? -19.061 -33.556 -23.397 1.00 74.14 ? 453 ARG B CG 1 ATOM 3461 C CD . ARG A 1 435 ? -20.495 -33.363 -22.948 1.00 82.46 ? 453 ARG B CD 1 ATOM 3462 N NE . ARG A 1 435 ? -21.307 -32.757 -23.995 1.00 95.79 ? 453 ARG B NE 1 ATOM 3463 C CZ . ARG A 1 435 ? -22.626 -32.616 -23.928 1.00 105.07 ? 453 ARG B CZ 1 ATOM 3464 N NH1 . ARG A 1 435 ? -23.286 -33.043 -22.860 1.00 106.41 ? 453 ARG B NH1 1 ATOM 3465 N NH2 . ARG A 1 435 ? -23.285 -32.052 -24.931 1.00 108.75 ? 453 ARG B NH2 1 ATOM 3466 N N . ALA A 1 436 ? -15.845 -32.936 -24.272 1.00 62.85 ? 454 ALA B N 1 ATOM 3467 C CA . ALA A 1 436 ? -15.200 -31.700 -24.687 1.00 65.23 ? 454 ALA B CA 1 ATOM 3468 C C . ALA A 1 436 ? -16.073 -31.019 -25.730 1.00 67.45 ? 454 ALA B C 1 ATOM 3469 O O . ALA A 1 436 ? -16.499 -31.654 -26.700 1.00 71.67 ? 454 ALA B O 1 ATOM 3470 C CB . ALA A 1 436 ? -13.799 -31.967 -25.245 1.00 66.92 ? 454 ALA B CB 1 ATOM 3471 N N . ILE A 1 437 ? -16.341 -29.733 -25.522 1.00 63.66 ? 455 ILE B N 1 ATOM 3472 C CA . ILE A 1 437 ? -17.208 -28.951 -26.394 1.00 61.30 ? 455 ILE B CA 1 ATOM 3473 C C . ILE A 1 437 ? -16.344 -28.025 -27.239 1.00 60.39 ? 455 ILE B C 1 ATOM 3474 O O . ILE A 1 437 ? -15.296 -27.544 -26.796 1.00 59.98 ? 455 ILE B O 1 ATOM 3475 C CB . ILE A 1 437 ? -18.247 -28.161 -25.570 1.00 60.72 ? 455 ILE B CB 1 ATOM 3476 C CG1 . ILE A 1 437 ? -18.857 -29.066 -24.496 1.00 68.73 ? 455 ILE B CG1 1 ATOM 3477 C CG2 . ILE A 1 437 ? -19.347 -27.618 -26.461 1.00 56.02 ? 455 ILE B CG2 1 ATOM 3478 C CD1 . ILE A 1 437 ? -19.816 -28.364 -23.554 1.00 71.12 ? 455 ILE B CD1 1 ATOM 3479 N N . ALA A 1 438 ? -16.784 -27.781 -28.470 1.00 58.13 ? 456 ALA B N 1 ATOM 3480 C CA . ALA A 1 438 ? -16.026 -26.949 -29.394 1.00 57.76 ? 456 ALA B CA 1 ATOM 3481 C C . ALA A 1 438 ? -16.159 -25.470 -29.052 1.00 54.82 ? 456 ALA B C 1 ATOM 3482 O O . ALA A 1 438 ? -17.228 -24.999 -28.655 1.00 53.83 ? 456 ALA B O 1 ATOM 3483 C CB . ALA A 1 438 ? -16.494 -27.186 -30.830 1.00 58.29 ? 456 ALA B CB 1 ATOM 3484 N N . TYR A 1 439 ? -15.057 -24.740 -29.213 1.00 56.53 ? 457 TYR B N 1 ATOM 3485 C CA . TYR A 1 439 ? -15.079 -23.285 -29.111 1.00 53.65 ? 457 TYR B CA 1 ATOM 3486 C C . TYR A 1 439 ? -15.983 -22.705 -30.193 1.00 54.32 ? 457 TYR B C 1 ATOM 3487 O O . TYR A 1 439 ? -15.921 -23.120 -31.353 1.00 55.99 ? 457 TYR B O 1 ATOM 3488 C CB . TYR A 1 439 ? -13.656 -22.750 -29.253 1.00 53.96 ? 457 TYR B CB 1 ATOM 3489 C CG . TYR A 1 439 ? -13.481 -21.257 -29.079 1.00 54.15 ? 457 TYR B CG 1 ATOM 3490 C CD1 . TYR A 1 439 ? -13.626 -20.386 -30.154 1.00 53.77 ? 457 TYR B CD1 1 ATOM 3491 C CD2 . TYR A 1 439 ? -13.126 -20.723 -27.849 1.00 51.48 ? 457 TYR B CD2 1 ATOM 3492 C CE1 . TYR A 1 439 ? -13.446 -19.022 -30.000 1.00 53.07 ? 457 TYR B CE1 1 ATOM 3493 C CE2 . TYR A 1 439 ? -12.943 -19.363 -27.686 1.00 50.79 ? 457 TYR B CE2 1 ATOM 3494 C CZ . TYR A 1 439 ? -13.105 -18.517 -28.761 1.00 53.07 ? 457 TYR B CZ 1 ATOM 3495 O OH . TYR A 1 439 ? -12.922 -17.161 -28.595 1.00 51.26 ? 457 TYR B OH 1 ATOM 3496 N N . SER A 1 440 ? -16.821 -21.743 -29.815 1.00 53.14 ? 458 SER B N 1 ATOM 3497 C CA . SER A 1 440 ? -17.787 -21.145 -30.729 1.00 53.69 ? 458 SER B CA 1 ATOM 3498 C C . SER A 1 440 ? -17.308 -19.778 -31.201 1.00 60.49 ? 458 SER B C 1 ATOM 3499 O O . SER A 1 440 ? -16.976 -18.914 -30.383 1.00 60.16 ? 458 SER B O 1 ATOM 3500 C CB . SER A 1 440 ? -19.157 -21.011 -30.066 1.00 52.74 ? 458 SER B CB 1 ATOM 3501 O OG . SER A 1 440 ? -19.761 -22.278 -29.888 1.00 55.01 ? 458 SER B OG 1 ATOM 3502 N N . SER A 1 441 ? -17.293 -19.581 -32.520 1.00 58.19 ? 459 SER B N 1 ATOM 3503 C CA . SER A 1 441 ? -16.917 -18.300 -33.103 1.00 57.28 ? 459 SER B CA 1 ATOM 3504 C C . SER A 1 441 ? -17.754 -18.034 -34.342 1.00 59.98 ? 459 SER B C 1 ATOM 3505 O O . SER A 1 441 ? -17.917 -18.915 -35.192 1.00 63.64 ? 459 SER B O 1 ATOM 3506 C CB . SER A 1 441 ? -15.429 -18.262 -33.459 1.00 58.99 ? 459 SER B CB 1 ATOM 3507 O OG . SER A 1 441 ? -15.118 -17.077 -34.172 1.00 61.33 ? 459 SER B OG 1 ATOM 3508 N N . LEU A 1 442 ? -18.271 -16.812 -34.443 1.00 58.54 ? 460 LEU B N 1 ATOM 3509 C CA . LEU A 1 442 ? -19.136 -16.464 -35.558 1.00 57.16 ? 460 LEU B CA 1 ATOM 3510 C C . LEU A 1 442 ? -18.353 -16.243 -36.843 1.00 70.34 ? 460 LEU B C 1 ATOM 3511 O O . LEU A 1 442 ? -18.935 -16.304 -37.930 1.00 71.69 ? 460 LEU B O 1 ATOM 3512 C CB . LEU A 1 442 ? -19.950 -15.221 -35.204 1.00 56.25 ? 460 LEU B CB 1 ATOM 3513 C CG . LEU A 1 442 ? -21.465 -15.392 -35.134 1.00 56.14 ? 460 LEU B CG 1 ATOM 3514 C CD1 . LEU A 1 442 ? -21.830 -16.722 -34.503 1.00 64.11 ? 460 LEU B CD1 1 ATOM 3515 C CD2 . LEU A 1 442 ? -22.078 -14.245 -34.351 1.00 54.96 ? 460 LEU B CD2 1 ATOM 3516 N N . SER A 1 443 ? -17.046 -16.007 -36.744 1.00 68.52 ? 461 SER B N 1 ATOM 3517 C CA . SER A 1 443 ? -16.190 -15.821 -37.903 1.00 66.33 ? 461 SER B CA 1 ATOM 3518 C C . SER A 1 443 ? -15.342 -17.052 -38.197 1.00 68.54 ? 461 SER B C 1 ATOM 3519 O O . SER A 1 443 ? -14.391 -16.968 -38.981 1.00 71.51 ? 461 SER B O 1 ATOM 3520 C CB . SER A 1 443 ? -15.296 -14.596 -37.706 1.00 60.45 ? 461 SER B CB 1 ATOM 3521 O OG . SER A 1 443 ? -14.353 -14.815 -36.673 1.00 59.57 ? 461 SER B OG 1 ATOM 3522 N N . GLN A 1 444 ? -15.691 -18.199 -37.609 1.00 65.24 ? 462 GLN B N 1 ATOM 3523 C CA . GLN A 1 444 ? -14.910 -19.431 -37.736 1.00 66.61 ? 462 GLN B CA 1 ATOM 3524 C C . GLN A 1 444 ? -13.449 -19.193 -37.362 1.00 64.73 ? 462 GLN B C 1 ATOM 3525 O O . GLN A 1 444 ? -12.531 -19.741 -37.973 1.00 68.65 ? 462 GLN B O 1 ATOM 3526 C CB . GLN A 1 444 ? -15.014 -20.032 -39.146 1.00 72.43 ? 462 GLN B CB 1 ATOM 3527 C CG . GLN A 1 444 ? -16.174 -19.540 -40.017 1.00 77.61 ? 462 GLN B CG 1 ATOM 3528 C CD . GLN A 1 444 ? -17.534 -19.828 -39.420 1.00 81.84 ? 462 GLN B CD 1 ATOM 3529 O OE1 . GLN A 1 444 ? -17.689 -20.741 -38.610 1.00 87.27 ? 462 GLN B OE1 1 ATOM 3530 N NE2 . GLN A 1 444 ? -18.529 -19.044 -39.814 1.00 81.32 ? 462 GLN B NE2 1 ATOM 3531 N N . SER A 1 445 ? -13.227 -18.367 -36.346 1.00 60.92 ? 463 SER B N 1 ATOM 3532 C CA . SER A 1 445 ? -11.887 -17.947 -35.956 1.00 67.11 ? 463 SER B CA 1 ATOM 3533 C C . SER A 1 445 ? -11.540 -18.545 -34.594 1.00 65.84 ? 463 SER B C 1 ATOM 3534 O O . SER A 1 445 ? -12.265 -18.337 -33.618 1.00 57.80 ? 463 SER B O 1 ATOM 3535 C CB . SER A 1 445 ? -11.795 -16.423 -35.928 1.00 60.42 ? 463 SER B CB 1 ATOM 3536 O OG . SER A 1 445 ? -10.459 -15.998 -35.742 1.00 78.37 ? 463 SER B OG 1 ATOM 3537 N N . TYR A 1 446 ? -10.430 -19.279 -34.528 1.00 68.10 ? 464 TYR B N 1 ATOM 3538 C CA . TYR A 1 446 ? -10.067 -20.013 -33.325 1.00 59.48 ? 464 TYR B CA 1 ATOM 3539 C C . TYR A 1 446 ? -8.587 -19.823 -33.020 1.00 73.51 ? 464 TYR B C 1 ATOM 3540 O O . TYR A 1 446 ? -7.778 -19.564 -33.918 1.00 73.75 ? 464 TYR B O 1 ATOM 3541 C CB . TYR A 1 446 ? -10.396 -21.505 -33.469 1.00 60.24 ? 464 TYR B CB 1 ATOM 3542 C CG . TYR A 1 446 ? -11.775 -21.742 -34.029 1.00 60.30 ? 464 TYR B CG 1 ATOM 3543 C CD1 . TYR A 1 446 ? -12.900 -21.581 -33.236 1.00 58.56 ? 464 TYR B CD1 1 ATOM 3544 C CD2 . TYR A 1 446 ? -11.957 -22.104 -35.358 1.00 62.25 ? 464 TYR B CD2 1 ATOM 3545 C CE1 . TYR A 1 446 ? -14.167 -21.784 -33.742 1.00 70.47 ? 464 TYR B CE1 1 ATOM 3546 C CE2 . TYR A 1 446 ? -13.221 -22.308 -35.874 1.00 62.42 ? 464 TYR B CE2 1 ATOM 3547 C CZ . TYR A 1 446 ? -14.322 -22.147 -35.060 1.00 68.60 ? 464 TYR B CZ 1 ATOM 3548 O OH . TYR A 1 446 ? -15.587 -22.346 -35.556 1.00 69.95 ? 464 TYR B OH 1 ATOM 3549 N N . LEU A 1 447 ? -8.240 -19.962 -31.735 1.00 71.07 ? 465 LEU B N 1 ATOM 3550 C CA . LEU A 1 447 ? -6.869 -19.820 -31.263 1.00 66.36 ? 465 LEU B CA 1 ATOM 3551 C C . LEU A 1 447 ? -6.521 -20.950 -30.306 1.00 65.13 ? 465 LEU B C 1 ATOM 3552 O O . LEU A 1 447 ? -7.314 -21.291 -29.422 1.00 57.03 ? 465 LEU B O 1 ATOM 3553 C CB . LEU A 1 447 ? -6.657 -18.476 -30.564 1.00 63.26 ? 465 LEU B CB 1 ATOM 3554 C CG . LEU A 1 447 ? -5.260 -18.269 -29.985 1.00 58.27 ? 465 LEU B CG 1 ATOM 3555 C CD1 . LEU A 1 447 ? -4.233 -18.350 -31.099 1.00 60.73 ? 465 LEU B CD1 1 ATOM 3556 C CD2 . LEU A 1 447 ? -5.175 -16.940 -29.261 1.00 57.06 ? 465 LEU B CD2 1 ATOM 3557 N N . TYR A 1 448 ? -5.325 -21.518 -30.473 1.00 68.20 ? 466 TYR B N 1 ATOM 3558 C CA . TYR A 1 448 ? -4.862 -22.619 -29.631 1.00 70.09 ? 466 TYR B CA 1 ATOM 3559 C C . TYR A 1 448 ? -3.418 -22.366 -29.226 1.00 72.81 ? 466 TYR B C 1 ATOM 3560 O O . TYR A 1 448 ? -2.545 -22.253 -30.091 1.00 74.43 ? 466 TYR B O 1 ATOM 3561 C CB . TYR A 1 448 ? -4.985 -23.960 -30.360 1.00 71.16 ? 466 TYR B CB 1 ATOM 3562 C CG . TYR A 1 448 ? -4.208 -25.081 -29.709 1.00 74.47 ? 466 TYR B CG 1 ATOM 3563 C CD1 . TYR A 1 448 ? -4.663 -25.681 -28.542 1.00 74.18 ? 466 TYR B CD1 1 ATOM 3564 C CD2 . TYR A 1 448 ? -3.019 -25.539 -30.263 1.00 77.91 ? 466 TYR B CD2 1 ATOM 3565 C CE1 . TYR A 1 448 ? -3.955 -26.707 -27.945 1.00 77.44 ? 466 TYR B CE1 1 ATOM 3566 C CE2 . TYR A 1 448 ? -2.305 -26.564 -29.674 1.00 79.19 ? 466 TYR B CE2 1 ATOM 3567 C CZ . TYR A 1 448 ? -2.777 -27.144 -28.517 1.00 81.54 ? 466 TYR B CZ 1 ATOM 3568 O OH . TYR A 1 448 ? -2.067 -28.164 -27.930 1.00 86.11 ? 466 TYR B OH 1 ATOM 3569 N N . ILE A 1 449 ? -3.166 -22.299 -27.919 1.00 69.22 ? 467 ILE B N 1 ATOM 3570 C CA . ILE A 1 449 ? -1.834 -22.024 -27.399 1.00 70.22 ? 467 ILE B CA 1 ATOM 3571 C C . ILE A 1 449 ? -1.348 -23.229 -26.604 1.00 70.47 ? 467 ILE B C 1 ATOM 3572 O O . ILE A 1 449 ? -2.139 -23.957 -25.996 1.00 70.82 ? 467 ILE B O 1 ATOM 3573 C CB . ILE A 1 449 ? -1.810 -20.745 -26.532 1.00 69.61 ? 467 ILE B CB 1 ATOM 3574 C CG1 . ILE A 1 449 ? -2.684 -20.912 -25.288 1.00 64.38 ? 467 ILE B CG1 1 ATOM 3575 C CG2 . ILE A 1 449 ? -2.266 -19.538 -27.344 1.00 71.73 ? 467 ILE B CG2 1 ATOM 3576 C CD1 . ILE A 1 449 ? -2.694 -19.694 -24.402 1.00 60.81 ? 467 ILE B CD1 1 ATOM 3577 N N . ASP A 1 450 ? -0.026 -23.437 -26.623 1.00 74.19 ? 468 ASP B N 1 ATOM 3578 C CA . ASP A 1 450 ? 0.602 -24.561 -25.927 1.00 81.14 ? 468 ASP B CA 1 ATOM 3579 C C . ASP A 1 450 ? 2.118 -24.457 -26.011 1.00 90.89 ? 468 ASP B C 1 ATOM 3580 O O . ASP A 1 450 ? 2.664 -24.224 -27.094 1.00 97.35 ? 468 ASP B O 1 ATOM 3581 C CB . ASP A 1 450 ? 0.129 -25.896 -26.508 1.00 84.43 ? 468 ASP B CB 1 ATOM 3582 C CG . ASP A 1 450 ? 0.673 -27.088 -25.747 1.00 87.45 ? 468 ASP B CG 1 ATOM 3583 O OD1 . ASP A 1 450 ? 0.938 -26.953 -24.532 1.00 88.48 ? 468 ASP B OD1 1 ATOM 3584 O OD2 . ASP A 1 450 ? 0.830 -28.163 -26.361 1.00 89.58 ? 468 ASP B OD2 1 ATOM 3585 N N . TRP A 1 451 ? 2.813 -24.699 -24.899 1.00 98.59 ? 469 TRP B N 1 ATOM 3586 C CA . TRP A 1 451 ? 4.146 -24.131 -24.721 1.00 110.65 ? 469 TRP B CA 1 ATOM 3587 C C . TRP A 1 451 ? 5.338 -25.070 -24.839 1.00 126.72 ? 469 TRP B C 1 ATOM 3588 O O . TRP A 1 451 ? 6.179 -25.103 -23.945 1.00 130.41 ? 469 TRP B O 1 ATOM 3589 C CB . TRP A 1 451 ? 4.197 -23.464 -23.349 1.00 109.07 ? 469 TRP B CB 1 ATOM 3590 C CG . TRP A 1 451 ? 3.997 -24.412 -22.161 1.00 107.08 ? 469 TRP B CG 1 ATOM 3591 C CD1 . TRP A 1 451 ? 4.956 -25.170 -21.540 1.00 107.62 ? 469 TRP B CD1 1 ATOM 3592 C CD2 . TRP A 1 451 ? 2.777 -24.675 -21.454 1.00 105.40 ? 469 TRP B CD2 1 ATOM 3593 N NE1 . TRP A 1 451 ? 4.413 -25.879 -20.504 1.00 106.95 ? 469 TRP B NE1 1 ATOM 3594 C CE2 . TRP A 1 451 ? 3.076 -25.598 -20.429 1.00 105.42 ? 469 TRP B CE2 1 ATOM 3595 C CE3 . TRP A 1 451 ? 1.463 -24.225 -21.589 1.00 104.06 ? 469 TRP B CE3 1 ATOM 3596 C CZ2 . TRP A 1 451 ? 2.110 -26.071 -19.543 1.00 102.79 ? 469 TRP B CZ2 1 ATOM 3597 C CZ3 . TRP A 1 451 ? 0.506 -24.702 -20.710 1.00 102.31 ? 469 TRP B CZ3 1 ATOM 3598 C CH2 . TRP A 1 451 ? 0.834 -25.615 -19.702 1.00 101.45 ? 469 TRP B CH2 1 ATOM 3599 N N . THR A 1 452 ? 5.526 -25.728 -25.978 1.00 139.71 ? 470 THR B N 1 ATOM 3600 C CA . THR A 1 452 ? 6.356 -26.951 -26.021 1.00 142.65 ? 470 THR B CA 1 ATOM 3601 C C . THR A 1 452 ? 5.638 -27.852 -25.024 1.00 146.22 ? 470 THR B C 1 ATOM 3602 O O . THR A 1 452 ? 4.414 -28.019 -25.137 1.00 145.13 ? 470 THR B O 1 ATOM 3603 C CB . THR A 1 452 ? 7.852 -26.719 -25.779 1.00 139.71 ? 470 THR B CB 1 ATOM 3604 O OG1 . THR A 1 452 ? 8.150 -25.326 -25.860 1.00 139.53 ? 470 THR B OG1 1 ATOM 3605 C CG2 . THR A 1 452 ? 8.681 -27.427 -26.841 1.00 140.21 ? 470 THR B CG2 1 ATOM 3606 N N . ASP A 1 453 ? 6.299 -28.410 -24.010 1.00 150.61 ? 471 ASP B N 1 ATOM 3607 C CA . ASP A 1 453 ? 5.503 -29.246 -23.118 1.00 152.98 ? 471 ASP B CA 1 ATOM 3608 C C . ASP A 1 453 ? 5.911 -29.132 -21.656 1.00 155.80 ? 471 ASP B C 1 ATOM 3609 O O . ASP A 1 453 ? 7.023 -28.731 -21.309 1.00 154.93 ? 471 ASP B O 1 ATOM 3610 C CB . ASP A 1 453 ? 5.499 -30.709 -23.530 1.00 154.62 ? 471 ASP B CB 1 ATOM 3611 C CG . ASP A 1 453 ? 4.132 -31.321 -23.369 1.00 152.95 ? 471 ASP B CG 1 ATOM 3612 O OD1 . ASP A 1 453 ? 3.740 -31.563 -22.207 1.00 151.86 ? 471 ASP B OD1 1 ATOM 3613 O OD2 . ASP A 1 453 ? 3.435 -31.501 -24.393 1.00 152.65 ? 471 ASP B OD2 1 ATOM 3614 N N . ASN A 1 454 ? 4.970 -29.571 -20.817 1.00 159.35 ? 472 ASN B N 1 ATOM 3615 C CA . ASN A 1 454 ? 4.834 -29.262 -19.403 1.00 160.65 ? 472 ASN B CA 1 ATOM 3616 C C . ASN A 1 454 ? 5.607 -30.213 -18.505 1.00 163.97 ? 472 ASN B C 1 ATOM 3617 O O . ASN A 1 454 ? 5.539 -30.078 -17.276 1.00 162.13 ? 472 ASN B O 1 ATOM 3618 C CB . ASN A 1 454 ? 3.345 -29.288 -19.029 1.00 157.80 ? 472 ASN B CB 1 ATOM 3619 C CG . ASN A 1 454 ? 2.435 -29.543 -20.244 1.00 157.95 ? 472 ASN B CG 1 ATOM 3620 O OD1 . ASN A 1 454 ? 1.769 -30.583 -20.327 1.00 157.69 ? 472 ASN B OD1 1 ATOM 3621 N ND2 . ASN A 1 454 ? 2.409 -28.594 -21.192 1.00 158.06 ? 472 ASN B ND2 1 ATOM 3622 N N . HIS A 1 455 ? 6.311 -31.176 -19.084 1.00 169.31 ? 473 HIS B N 1 ATOM 3623 C CA . HIS A 1 455 ? 7.177 -32.061 -18.326 1.00 171.16 ? 473 HIS B CA 1 ATOM 3624 C C . HIS A 1 455 ? 8.623 -31.793 -18.720 1.00 167.30 ? 473 HIS B C 1 ATOM 3625 O O . HIS A 1 455 ? 8.986 -31.964 -19.886 1.00 170.03 ? 473 HIS B O 1 ATOM 3626 C CB . HIS A 1 455 ? 6.823 -33.527 -18.573 1.00 178.58 ? 473 HIS B CB 1 ATOM 3627 C CG . HIS A 1 455 ? 5.462 -33.735 -19.161 1.00 183.75 ? 473 HIS B CG 1 ATOM 3628 N ND1 . HIS A 1 455 ? 5.217 -33.663 -20.516 1.00 187.36 ? 473 HIS B ND1 1 ATOM 3629 C CD2 . HIS A 1 455 ? 4.272 -34.017 -18.578 1.00 184.33 ? 473 HIS B CD2 1 ATOM 3630 C CE1 . HIS A 1 455 ? 3.937 -33.900 -20.742 1.00 187.26 ? 473 HIS B CE1 1 ATOM 3631 N NE2 . HIS A 1 455 ? 3.340 -34.109 -19.583 1.00 185.72 ? 473 HIS B NE2 1 ATOM 3632 N N . LYS A 1 456 ? 9.455 -31.380 -17.763 1.00 162.61 ? 474 LYS B N 1 ATOM 3633 C CA . LYS A 1 456 ? 9.079 -31.224 -16.355 1.00 148.50 ? 474 LYS B CA 1 ATOM 3634 C C . LYS A 1 456 ? 8.329 -29.922 -16.060 1.00 136.67 ? 474 LYS B C 1 ATOM 3635 O O . LYS A 1 456 ? 8.145 -29.087 -16.947 1.00 136.35 ? 474 LYS B O 1 ATOM 3636 C CB . LYS A 1 456 ? 10.333 -31.292 -15.474 1.00 149.25 ? 474 LYS B CB 1 ATOM 3637 C CG . LYS A 1 456 ? 10.582 -32.638 -14.816 1.00 148.68 ? 474 LYS B CG 1 ATOM 3638 C CD . LYS A 1 456 ? 10.247 -32.586 -13.333 1.00 143.11 ? 474 LYS B CD 1 ATOM 3639 C CE . LYS A 1 456 ? 9.952 -33.974 -12.796 1.00 140.46 ? 474 LYS B CE 1 ATOM 3640 N NZ . LYS A 1 456 ? 8.888 -34.630 -13.607 1.00 139.06 ? 474 LYS B NZ 1 ATOM 3641 N N . ALA A 1 457 ? 7.902 -29.761 -14.807 1.00 125.59 ? 475 ALA B N 1 ATOM 3642 C CA . ALA A 1 457 ? 7.201 -28.555 -14.393 1.00 111.03 ? 475 ALA B CA 1 ATOM 3643 C C . ALA A 1 457 ? 8.102 -27.334 -14.547 1.00 104.90 ? 475 ALA B C 1 ATOM 3644 O O . ALA A 1 457 ? 9.331 -27.436 -14.617 1.00 104.73 ? 475 ALA B O 1 ATOM 3645 C CB . ALA A 1 457 ? 6.724 -28.671 -12.946 1.00 102.58 ? 475 ALA B CB 1 ATOM 3646 N N . LEU A 1 458 ? 7.474 -26.166 -14.599 1.00 98.29 ? 476 LEU B N 1 ATOM 3647 C CA . LEU A 1 458 ? 8.213 -24.946 -14.874 1.00 93.17 ? 476 LEU B CA 1 ATOM 3648 C C . LEU A 1 458 ? 9.013 -24.536 -13.646 1.00 85.18 ? 476 LEU B C 1 ATOM 3649 O O . LEU A 1 458 ? 8.469 -24.434 -12.544 1.00 81.34 ? 476 LEU B O 1 ATOM 3650 C CB . LEU A 1 458 ? 7.254 -23.834 -15.295 1.00 92.83 ? 476 LEU B CB 1 ATOM 3651 C CG . LEU A 1 458 ? 6.311 -24.195 -16.450 1.00 91.78 ? 476 LEU B CG 1 ATOM 3652 C CD1 . LEU A 1 458 ? 5.489 -22.993 -16.870 1.00 92.08 ? 476 LEU B CD1 1 ATOM 3653 C CD2 . LEU A 1 458 ? 7.087 -24.749 -17.631 1.00 92.48 ? 476 LEU B CD2 1 ATOM 3654 N N . LEU A 1 459 ? 10.312 -24.329 -13.835 1.00 85.45 ? 477 LEU B N 1 ATOM 3655 C CA . LEU A 1 459 ? 11.212 -23.932 -12.759 1.00 83.37 ? 477 LEU B CA 1 ATOM 3656 C C . LEU A 1 459 ? 11.478 -22.436 -12.851 1.00 82.90 ? 477 LEU B C 1 ATOM 3657 O O . LEU A 1 459 ? 11.770 -21.920 -13.934 1.00 83.70 ? 477 LEU B O 1 ATOM 3658 C CB . LEU A 1 459 ? 12.529 -24.706 -12.834 1.00 82.60 ? 477 LEU B CB 1 ATOM 3659 C CG . LEU A 1 459 ? 12.431 -26.230 -12.958 1.00 79.99 ? 477 LEU B CG 1 ATOM 3660 C CD1 . LEU A 1 459 ? 13.817 -26.847 -13.098 1.00 82.05 ? 477 LEU B CD1 1 ATOM 3661 C CD2 . LEU A 1 459 ? 11.677 -26.839 -11.779 1.00 73.98 ? 477 LEU B CD2 1 ATOM 3662 N N . VAL A 1 460 ? 11.375 -21.743 -11.715 1.00 82.36 ? 478 VAL B N 1 ATOM 3663 C CA . VAL A 1 460 ? 11.620 -20.307 -11.710 1.00 85.10 ? 478 VAL B CA 1 ATOM 3664 C C . VAL A 1 460 ? 13.057 -20.044 -12.134 1.00 89.35 ? 478 VAL B C 1 ATOM 3665 O O . VAL A 1 460 ? 14.002 -20.660 -11.626 1.00 91.82 ? 478 VAL B O 1 ATOM 3666 C CB . VAL A 1 460 ? 11.297 -19.708 -10.332 1.00 84.79 ? 478 VAL B CB 1 ATOM 3667 C CG1 . VAL A 1 460 ? 12.025 -20.453 -9.233 1.00 89.17 ? 478 VAL B CG1 1 ATOM 3668 C CG2 . VAL A 1 460 ? 11.633 -18.224 -10.293 1.00 83.47 ? 478 VAL B CG2 1 ATOM 3669 N N . GLY A 1 461 ? 13.223 -19.140 -13.100 1.00 90.30 ? 479 GLY B N 1 ATOM 3670 C CA . GLY A 1 461 ? 14.505 -18.826 -13.693 1.00 95.24 ? 479 GLY B CA 1 ATOM 3671 C C . GLY A 1 461 ? 14.650 -19.334 -15.114 1.00 100.23 ? 479 GLY B C 1 ATOM 3672 O O . GLY A 1 461 ? 15.454 -18.784 -15.881 1.00 105.68 ? 479 GLY B O 1 ATOM 3673 N N . GLU A 1 462 ? 13.890 -20.361 -15.481 1.00 99.19 ? 480 GLU B N 1 ATOM 3674 C CA . GLU A 1 462 ? 13.933 -20.884 -16.837 1.00 104.49 ? 480 GLU B CA 1 ATOM 3675 C C . GLU A 1 462 ? 13.137 -19.977 -17.763 1.00 108.08 ? 480 GLU B C 1 ATOM 3676 O O . GLU A 1 462 ? 12.902 -18.806 -17.449 1.00 110.54 ? 480 GLU B O 1 ATOM 3677 C CB . GLU A 1 462 ? 13.388 -22.314 -16.883 1.00 104.85 ? 480 GLU B CB 1 ATOM 3678 C CG . GLU A 1 462 ? 14.132 -23.303 -15.997 1.00 106.69 ? 480 GLU B CG 1 ATOM 3679 C CD . GLU A 1 462 ? 13.747 -24.742 -16.290 1.00 106.55 ? 480 GLU B CD 1 ATOM 3680 O OE1 . GLU A 1 462 ? 14.639 -25.535 -16.660 1.00 107.94 ? 480 GLU B OE1 1 ATOM 3681 O OE2 . GLU A 1 462 ? 12.550 -25.079 -16.158 1.00 103.81 ? 480 GLU B OE2 1 ATOM 3682 N N . HIS A 1 463 ? 12.711 -20.511 -18.903 1.00 107.73 ? 481 HIS B N 1 ATOM 3683 C CA . HIS A 1 463 ? 11.930 -19.744 -19.856 1.00 102.39 ? 481 HIS B CA 1 ATOM 3684 C C . HIS A 1 463 ? 10.839 -20.619 -20.448 1.00 95.51 ? 481 HIS B C 1 ATOM 3685 O O . HIS A 1 463 ? 11.021 -21.822 -20.652 1.00 100.27 ? 481 HIS B O 1 ATOM 3686 C CB . HIS A 1 463 ? 12.808 -19.165 -20.965 1.00 106.94 ? 481 HIS B CB 1 ATOM 3687 C CG . HIS A 1 463 ? 13.585 -17.960 -20.542 1.00 109.16 ? 481 HIS B CG 1 ATOM 3688 N ND1 . HIS A 1 463 ? 13.106 -16.677 -20.695 1.00 107.86 ? 481 HIS B ND1 1 ATOM 3689 C CD2 . HIS A 1 463 ? 14.800 -17.841 -19.958 1.00 112.64 ? 481 HIS B CD2 1 ATOM 3690 C CE1 . HIS A 1 463 ? 13.997 -15.819 -20.232 1.00 110.35 ? 481 HIS B CE1 1 ATOM 3691 N NE2 . HIS A 1 463 ? 15.033 -16.500 -19.778 1.00 113.41 ? 481 HIS B NE2 1 ATOM 3692 N N . LEU A 1 464 ? 9.705 -19.988 -20.730 1.00 87.54 ? 482 LEU B N 1 ATOM 3693 C CA . LEU A 1 464 ? 8.503 -20.657 -21.213 1.00 79.88 ? 482 LEU B CA 1 ATOM 3694 C C . LEU A 1 464 ? 8.317 -20.321 -22.687 1.00 78.69 ? 482 LEU B C 1 ATOM 3695 O O . LEU A 1 464 ? 7.943 -19.196 -23.027 1.00 79.68 ? 482 LEU B O 1 ATOM 3696 C CB . LEU A 1 464 ? 7.293 -20.218 -20.397 1.00 73.48 ? 482 LEU B CB 1 ATOM 3697 C CG . LEU A 1 464 ? 6.013 -20.982 -20.696 1.00 69.55 ? 482 LEU B CG 1 ATOM 3698 C CD1 . LEU A 1 464 ? 6.244 -22.437 -20.380 1.00 65.19 ? 482 LEU B CD1 1 ATOM 3699 C CD2 . LEU A 1 464 ? 4.865 -20.420 -19.881 1.00 68.31 ? 482 LEU B CD2 1 ATOM 3700 N N . ASN A 1 465 ? 8.566 -21.297 -23.557 1.00 80.32 ? 483 ASN B N 1 ATOM 3701 C CA . ASN A 1 465 ? 8.495 -21.103 -25.008 1.00 84.42 ? 483 ASN B CA 1 ATOM 3702 C C . ASN A 1 465 ? 7.119 -21.559 -25.486 1.00 83.04 ? 483 ASN B C 1 ATOM 3703 O O . ASN A 1 465 ? 6.913 -22.730 -25.803 1.00 88.80 ? 483 ASN B O 1 ATOM 3704 C CB . ASN A 1 465 ? 9.618 -21.874 -25.698 1.00 90.56 ? 483 ASN B CB 1 ATOM 3705 C CG . ASN A 1 465 ? 9.430 -21.969 -27.200 1.00 96.59 ? 483 ASN B CG 1 ATOM 3706 O OD1 . ASN A 1 465 ? 8.945 -21.037 -27.833 1.00 95.61 ? 483 ASN B OD1 1 ATOM 3707 N ND2 . ASN A 1 465 ? 9.807 -23.107 -27.775 1.00 101.20 ? 483 ASN B ND2 1 ATOM 3708 N N . ILE A 1 466 ? 6.163 -20.624 -25.550 1.00 79.57 ? 484 ILE B N 1 ATOM 3709 C CA . ILE A 1 466 ? 4.794 -20.989 -25.899 1.00 82.31 ? 484 ILE B CA 1 ATOM 3710 C C . ILE A 1 466 ? 4.579 -20.852 -27.400 1.00 83.40 ? 484 ILE B C 1 ATOM 3711 O O . ILE A 1 466 ? 5.151 -19.987 -28.071 1.00 84.33 ? 484 ILE B O 1 ATOM 3712 C CB . ILE A 1 466 ? 3.750 -20.173 -25.107 1.00 82.31 ? 484 ILE B CB 1 ATOM 3713 C CG1 . ILE A 1 466 ? 2.396 -20.880 -25.175 1.00 86.03 ? 484 ILE B CG1 1 ATOM 3714 C CG2 . ILE A 1 466 ? 3.620 -18.775 -25.663 1.00 80.97 ? 484 ILE B CG2 1 ATOM 3715 C CD1 . ILE A 1 466 ? 1.280 -20.157 -24.478 1.00 87.61 ? 484 ILE B CD1 1 ATOM 3716 N N . ILE A 1 467 ? 3.736 -21.733 -27.930 1.00 82.95 ? 485 ILE B N 1 ATOM 3717 C CA . ILE A 1 467 ? 3.402 -21.786 -29.346 1.00 85.77 ? 485 ILE B CA 1 ATOM 3718 C C . ILE A 1 467 ? 1.967 -21.310 -29.512 1.00 85.22 ? 485 ILE B C 1 ATOM 3719 O O . ILE A 1 467 ? 1.047 -21.839 -28.872 1.00 81.99 ? 485 ILE B O 1 ATOM 3720 C CB . ILE A 1 467 ? 3.579 -23.203 -29.916 1.00 85.49 ? 485 ILE B CB 1 ATOM 3721 C CG1 . ILE A 1 467 ? 4.980 -23.732 -29.609 1.00 88.22 ? 485 ILE B CG1 1 ATOM 3722 C CG2 . ILE A 1 467 ? 3.326 -23.201 -31.411 1.00 85.68 ? 485 ILE B CG2 1 ATOM 3723 C CD1 . ILE A 1 467 ? 5.240 -25.119 -30.156 1.00 92.17 ? 485 ILE B CD1 1 ATOM 3724 N N . VAL A 1 468 ? 1.781 -20.314 -30.371 1.00 87.40 ? 486 VAL B N 1 ATOM 3725 C CA . VAL A 1 468 ? 0.491 -19.684 -30.611 1.00 86.71 ? 486 VAL B CA 1 ATOM 3726 C C . VAL A 1 468 ? 0.051 -20.078 -32.013 1.00 92.48 ? 486 VAL B C 1 ATOM 3727 O O . VAL A 1 468 ? 0.588 -19.570 -33.004 1.00 100.21 ? 486 VAL B O 1 ATOM 3728 C CB . VAL A 1 468 ? 0.572 -18.159 -30.460 1.00 83.19 ? 486 VAL B CB 1 ATOM 3729 C CG1 . VAL A 1 468 ? -0.742 -17.513 -30.851 1.00 81.34 ? 486 VAL B CG1 1 ATOM 3730 C CG2 . VAL A 1 468 ? 0.954 -17.786 -29.037 1.00 81.25 ? 486 VAL B CG2 1 ATOM 3731 N N . THR A 1 469 ? -0.922 -20.981 -32.102 1.00 91.09 ? 487 THR B N 1 ATOM 3732 C CA . THR A 1 469 ? -1.413 -21.463 -33.390 1.00 90.49 ? 487 THR B CA 1 ATOM 3733 C C . THR A 1 469 ? -2.847 -21.005 -33.611 1.00 83.64 ? 487 THR B C 1 ATOM 3734 O O . THR A 1 469 ? -3.767 -21.532 -32.963 1.00 88.20 ? 487 THR B O 1 ATOM 3735 C CB . THR A 1 469 ? -1.331 -22.988 -33.465 1.00 95.08 ? 487 THR B CB 1 ATOM 3736 O OG1 . THR A 1 469 ? -2.214 -23.562 -32.494 1.00 98.56 ? 487 THR B OG1 1 ATOM 3737 C CG2 . THR A 1 469 ? 0.084 -23.460 -33.186 1.00 97.38 ? 487 THR B CG2 1 ATOM 3738 N N . PRO A 1 470 ? -3.093 -20.031 -34.482 1.00 78.99 ? 488 PRO B N 1 ATOM 3739 C CA . PRO A 1 470 ? -4.468 -19.685 -34.840 1.00 66.24 ? 488 PRO B CA 1 ATOM 3740 C C . PRO A 1 470 ? -4.928 -20.428 -36.082 1.00 75.02 ? 488 PRO B C 1 ATOM 3741 O O . PRO A 1 470 ? -4.154 -20.722 -36.994 1.00 79.80 ? 488 PRO B O 1 ATOM 3742 C CB . PRO A 1 470 ? -4.376 -18.177 -35.109 1.00 67.36 ? 488 PRO B CB 1 ATOM 3743 C CG . PRO A 1 470 ? -3.008 -18.004 -35.666 1.00 68.35 ? 488 PRO B CG 1 ATOM 3744 C CD . PRO A 1 470 ? -2.128 -19.044 -34.998 1.00 80.91 ? 488 PRO B CD 1 ATOM 3745 N N . LYS A 1 471 ? -6.218 -20.743 -36.104 1.00 71.56 ? 489 LYS B N 1 ATOM 3746 C CA . LYS A 1 471 ? -6.840 -21.359 -37.268 1.00 68.42 ? 489 LYS B CA 1 ATOM 3747 C C . LYS A 1 471 ? -8.122 -20.600 -37.556 1.00 74.72 ? 489 LYS B C 1 ATOM 3748 O O . LYS A 1 471 ? -9.007 -20.533 -36.698 1.00 71.91 ? 489 LYS B O 1 ATOM 3749 C CB . LYS A 1 471 ? -7.120 -22.845 -37.037 1.00 68.75 ? 489 LYS B CB 1 ATOM 3750 C CG . LYS A 1 471 ? -7.285 -23.649 -38.317 1.00 71.16 ? 489 LYS B CG 1 ATOM 3751 C CD . LYS A 1 471 ? -5.977 -23.719 -39.099 1.00 79.11 ? 489 LYS B CD 1 ATOM 3752 C CE . LYS A 1 471 ? -6.200 -24.207 -40.524 1.00 83.15 ? 489 LYS B CE 1 ATOM 3753 N NZ . LYS A 1 471 ? -7.030 -23.246 -41.301 1.00 84.15 ? 489 LYS B NZ 1 ATOM 3754 N N . SER A 1 472 ? -8.224 -20.037 -38.759 1.00 81.50 ? 490 SER B N 1 ATOM 3755 C CA . SER A 1 472 ? -9.263 -19.060 -39.053 1.00 82.03 ? 490 SER B CA 1 ATOM 3756 C C . SER A 1 472 ? -9.152 -18.562 -40.489 1.00 84.69 ? 490 SER B C 1 ATOM 3757 O O . SER A 1 472 ? -8.122 -18.775 -41.138 1.00 87.85 ? 490 SER B O 1 ATOM 3758 C CB . SER A 1 472 ? -9.144 -17.878 -38.086 1.00 65.89 ? 490 SER B CB 1 ATOM 3759 O OG . SER A 1 472 ? -9.937 -16.778 -38.493 1.00 65.43 ? 490 SER B OG 1 ATOM 3760 N N . PRO A 1 473 ? -10.188 -17.932 -41.030 1.00 83.85 ? 491 PRO B N 1 ATOM 3761 C CA . PRO A 1 473 ? -9.983 -16.926 -42.077 1.00 82.51 ? 491 PRO B CA 1 ATOM 3762 C C . PRO A 1 473 ? -9.458 -15.660 -41.407 1.00 86.35 ? 491 PRO B C 1 ATOM 3763 O O . PRO A 1 473 ? -9.255 -15.618 -40.198 1.00 89.83 ? 491 PRO B O 1 ATOM 3764 C CB . PRO A 1 473 ? -11.378 -16.735 -42.675 1.00 77.11 ? 491 PRO B CB 1 ATOM 3765 C CG . PRO A 1 473 ? -12.311 -17.129 -41.582 1.00 77.18 ? 491 PRO B CG 1 ATOM 3766 C CD . PRO A 1 473 ? -11.617 -18.223 -40.815 1.00 78.93 ? 491 PRO B CD 1 ATOM 3767 N N . TYR A 1 474 ? -9.238 -14.621 -42.206 1.00 88.12 ? 492 TYR B N 1 ATOM 3768 C CA . TYR A 1 474 ? -8.664 -13.368 -41.710 1.00 85.74 ? 492 TYR B CA 1 ATOM 3769 C C . TYR A 1 474 ? -7.308 -13.575 -41.036 1.00 80.61 ? 492 TYR B C 1 ATOM 3770 O O . TYR A 1 474 ? -6.888 -12.742 -40.228 1.00 81.91 ? 492 TYR B O 1 ATOM 3771 C CB . TYR A 1 474 ? -9.604 -12.654 -40.725 1.00 84.26 ? 492 TYR B CB 1 ATOM 3772 C CG . TYR A 1 474 ? -11.025 -12.456 -41.197 1.00 91.44 ? 492 TYR B CG 1 ATOM 3773 C CD1 . TYR A 1 474 ? -11.976 -13.454 -41.034 1.00 93.92 ? 492 TYR B CD1 1 ATOM 3774 C CD2 . TYR A 1 474 ? -11.425 -11.260 -41.778 1.00 98.65 ? 492 TYR B CD2 1 ATOM 3775 C CE1 . TYR A 1 474 ? -13.281 -13.276 -41.457 1.00 99.81 ? 492 TYR B CE1 1 ATOM 3776 C CE2 . TYR A 1 474 ? -12.730 -11.071 -42.204 1.00 103.20 ? 492 TYR B CE2 1 ATOM 3777 C CZ . TYR A 1 474 ? -13.653 -12.083 -42.040 1.00 104.25 ? 492 TYR B CZ 1 ATOM 3778 O OH . TYR A 1 474 ? -14.951 -11.902 -42.461 1.00 106.39 ? 492 TYR B OH 1 ATOM 3779 N N . ILE A 1 475 ? -6.612 -14.676 -41.336 1.00 79.15 ? 493 ILE B N 1 ATOM 3780 C CA . ILE A 1 475 ? -5.356 -14.972 -40.647 1.00 84.93 ? 493 ILE B CA 1 ATOM 3781 C C . ILE A 1 475 ? -4.314 -13.900 -40.939 1.00 94.59 ? 493 ILE B C 1 ATOM 3782 O O . ILE A 1 475 ? -3.720 -13.319 -40.022 1.00 96.55 ? 493 ILE B O 1 ATOM 3783 C CB . ILE A 1 475 ? -4.841 -16.369 -41.035 1.00 87.32 ? 493 ILE B CB 1 ATOM 3784 C CG1 . ILE A 1 475 ? -5.544 -17.443 -40.214 1.00 85.93 ? 493 ILE B CG1 1 ATOM 3785 C CG2 . ILE A 1 475 ? -3.342 -16.469 -40.814 1.00 89.40 ? 493 ILE B CG2 1 ATOM 3786 C CD1 . ILE A 1 475 ? -5.015 -18.839 -40.463 1.00 87.76 ? 493 ILE B CD1 1 ATOM 3787 N N . ASP A 1 476 ? -4.071 -13.622 -42.222 1.00 98.43 ? 494 ASP B N 1 ATOM 3788 C CA . ASP A 1 476 ? -2.987 -12.734 -42.622 1.00 104.75 ? 494 ASP B CA 1 ATOM 3789 C C . ASP A 1 476 ? -3.383 -11.263 -42.597 1.00 107.54 ? 494 ASP B C 1 ATOM 3790 O O . ASP A 1 476 ? -2.773 -10.448 -43.303 1.00 117.32 ? 494 ASP B O 1 ATOM 3791 C CB . ASP A 1 476 ? -2.464 -13.132 -44.003 1.00 112.21 ? 494 ASP B CB 1 ATOM 3792 C CG . ASP A 1 476 ? -3.379 -14.104 -44.714 1.00 114.94 ? 494 ASP B CG 1 ATOM 3793 O OD1 . ASP A 1 476 ? -4.612 -13.936 -44.617 1.00 116.01 ? 494 ASP B OD1 1 ATOM 3794 O OD2 . ASP A 1 476 ? -2.867 -15.039 -45.365 1.00 115.93 ? 494 ASP B OD2 1 ATOM 3795 N N . LYS A 1 477 ? -4.392 -10.897 -41.809 1.00 101.76 ? 495 LYS B N 1 ATOM 3796 C CA . LYS A 1 477 ? -4.653 -9.501 -41.499 1.00 101.52 ? 495 LYS B CA 1 ATOM 3797 C C . LYS A 1 477 ? -4.560 -9.220 -40.008 1.00 97.16 ? 495 LYS B C 1 ATOM 3798 O O . LYS A 1 477 ? -4.774 -8.075 -39.593 1.00 99.38 ? 495 LYS B O 1 ATOM 3799 C CB . LYS A 1 477 ? -6.024 -9.066 -42.037 1.00 104.81 ? 495 LYS B CB 1 ATOM 3800 C CG . LYS A 1 477 ? -5.981 -8.419 -43.430 1.00 114.65 ? 495 LYS B CG 1 ATOM 3801 C CD . LYS A 1 477 ? -5.531 -6.950 -43.390 1.00 120.21 ? 495 LYS B CD 1 ATOM 3802 C CE . LYS A 1 477 ? -4.040 -6.776 -43.680 1.00 123.23 ? 495 LYS B CE 1 ATOM 3803 N NZ . LYS A 1 477 ? -3.608 -5.352 -43.560 1.00 123.35 ? 495 LYS B NZ 1 ATOM 3804 N N . ILE A 1 478 ? -4.242 -10.227 -39.195 1.00 91.42 ? 496 ILE B N 1 ATOM 3805 C CA . ILE A 1 478 ? -4.008 -10.003 -37.776 1.00 89.97 ? 496 ILE B CA 1 ATOM 3806 C C . ILE A 1 478 ? -2.653 -9.337 -37.596 1.00 94.02 ? 496 ILE B C 1 ATOM 3807 O O . ILE A 1 478 ? -1.634 -9.819 -38.108 1.00 95.41 ? 496 ILE B O 1 ATOM 3808 C CB . ILE A 1 478 ? -4.079 -11.328 -37.005 1.00 86.14 ? 496 ILE B CB 1 ATOM 3809 C CG1 . ILE A 1 478 ? -5.317 -12.122 -37.417 1.00 81.30 ? 496 ILE B CG1 1 ATOM 3810 C CG2 . ILE A 1 478 ? -4.072 -11.069 -35.507 1.00 82.46 ? 496 ILE B CG2 1 ATOM 3811 C CD1 . ILE A 1 478 ? -5.218 -13.587 -37.074 1.00 76.59 ? 496 ILE B CD1 1 ATOM 3812 N N . THR A 1 479 ? -2.631 -8.225 -36.860 1.00 96.19 ? 497 THR B N 1 ATOM 3813 C CA . THR A 1 479 ? -1.393 -7.470 -36.704 1.00 99.73 ? 497 THR B CA 1 ATOM 3814 C C . THR A 1 479 ? -0.503 -8.065 -35.615 1.00 102.60 ? 497 THR B C 1 ATOM 3815 O O . THR A 1 479 ? 0.696 -8.269 -35.830 1.00 108.73 ? 497 THR B O 1 ATOM 3816 C CB . THR A 1 479 ? -1.703 -6.000 -36.404 1.00 100.03 ? 497 THR B CB 1 ATOM 3817 O OG1 . THR A 1 479 ? -2.302 -5.885 -35.106 1.00 104.97 ? 497 THR B OG1 1 ATOM 3818 C CG2 . THR A 1 479 ? -2.653 -5.428 -37.450 1.00 94.80 ? 497 THR B CG2 1 ATOM 3819 N N . HIS A 1 480 ? -1.067 -8.357 -34.443 1.00 99.00 ? 498 HIS B N 1 ATOM 3820 C CA . HIS A 1 480 ? -0.261 -8.778 -33.305 1.00 96.89 ? 498 HIS B CA 1 ATOM 3821 C C . HIS A 1 480 ? -1.009 -9.821 -32.487 1.00 88.76 ? 498 HIS B C 1 ATOM 3822 O O . HIS A 1 480 ? -2.190 -10.096 -32.711 1.00 87.10 ? 498 HIS B O 1 ATOM 3823 C CB . HIS A 1 480 ? 0.103 -7.589 -32.410 1.00 98.82 ? 498 HIS B CB 1 ATOM 3824 C CG . HIS A 1 480 ? 0.884 -6.518 -33.104 1.00 107.59 ? 498 HIS B CG 1 ATOM 3825 N ND1 . HIS A 1 480 ? 2.258 -6.544 -33.203 1.00 113.63 ? 498 HIS B ND1 1 ATOM 3826 C CD2 . HIS A 1 480 ? 0.483 -5.381 -33.722 1.00 110.39 ? 498 HIS B CD2 1 ATOM 3827 C CE1 . HIS A 1 480 ? 2.670 -5.473 -33.860 1.00 116.84 ? 498 HIS B CE1 1 ATOM 3828 N NE2 . HIS A 1 480 ? 1.613 -4.752 -34.185 1.00 115.43 ? 498 HIS B NE2 1 ATOM 3829 N N . TYR A 1 481 ? -0.295 -10.400 -31.524 1.00 82.98 ? 499 TYR B N 1 ATOM 3830 C CA . TYR A 1 481 ? -0.876 -11.226 -30.476 1.00 79.94 ? 499 TYR B CA 1 ATOM 3831 C C . TYR A 1 481 ? -0.804 -10.478 -29.150 1.00 75.06 ? 499 TYR B C 1 ATOM 3832 O O . TYR A 1 481 ? 0.065 -9.626 -28.946 1.00 75.26 ? 499 TYR B O 1 ATOM 3833 C CB . TYR A 1 481 ? -0.153 -12.573 -30.352 1.00 79.50 ? 499 TYR B CB 1 ATOM 3834 C CG . TYR A 1 481 ? -0.311 -13.469 -31.558 1.00 81.86 ? 499 TYR B CG 1 ATOM 3835 C CD1 . TYR A 1 481 ? -1.551 -13.656 -32.152 1.00 80.36 ? 499 TYR B CD1 1 ATOM 3836 C CD2 . TYR A 1 481 ? 0.784 -14.122 -32.109 1.00 85.38 ? 499 TYR B CD2 1 ATOM 3837 C CE1 . TYR A 1 481 ? -1.698 -14.472 -33.255 1.00 84.57 ? 499 TYR B CE1 1 ATOM 3838 C CE2 . TYR A 1 481 ? 0.647 -14.939 -33.214 1.00 86.08 ? 499 TYR B CE2 1 ATOM 3839 C CZ . TYR A 1 481 ? -0.595 -15.110 -33.782 1.00 86.13 ? 499 TYR B CZ 1 ATOM 3840 O OH . TYR A 1 481 ? -0.736 -15.922 -34.883 1.00 87.31 ? 499 TYR B OH 1 ATOM 3841 N N . ASN A 1 482 ? -1.725 -10.797 -28.245 1.00 68.83 ? 500 ASN B N 1 ATOM 3842 C CA . ASN A 1 482 ? -1.804 -10.115 -26.962 1.00 63.93 ? 500 ASN B CA 1 ATOM 3843 C C . ASN A 1 482 ? -1.897 -11.142 -25.844 1.00 64.81 ? 500 ASN B C 1 ATOM 3844 O O . ASN A 1 482 ? -2.455 -12.226 -26.026 1.00 63.81 ? 500 ASN B O 1 ATOM 3845 C CB . ASN A 1 482 ? -2.998 -9.162 -26.931 1.00 61.58 ? 500 ASN B CB 1 ATOM 3846 C CG . ASN A 1 482 ? -3.151 -8.396 -28.231 1.00 68.20 ? 500 ASN B CG 1 ATOM 3847 O OD1 . ASN A 1 482 ? -2.372 -7.489 -28.524 1.00 69.20 ? 500 ASN B OD1 1 ATOM 3848 N ND2 . ASN A 1 482 ? -4.150 -8.765 -29.025 1.00 69.71 ? 500 ASN B ND2 1 ATOM 3849 N N . TYR A 1 483 ? -1.335 -10.800 -24.683 1.00 63.86 ? 501 TYR B N 1 ATOM 3850 C CA . TYR A 1 483 ? -1.253 -11.756 -23.589 1.00 60.98 ? 501 TYR B CA 1 ATOM 3851 C C . TYR A 1 483 ? -1.444 -11.070 -22.245 1.00 61.38 ? 501 TYR B C 1 ATOM 3852 O O . TYR A 1 483 ? -1.083 -9.904 -22.058 1.00 61.59 ? 501 TYR B O 1 ATOM 3853 C CB . TYR A 1 483 ? 0.085 -12.510 -23.596 1.00 63.61 ? 501 TYR B CB 1 ATOM 3854 C CG . TYR A 1 483 ? 1.299 -11.679 -23.221 1.00 67.84 ? 501 TYR B CG 1 ATOM 3855 C CD1 . TYR A 1 483 ? 2.058 -11.040 -24.194 1.00 70.38 ? 501 TYR B CD1 1 ATOM 3856 C CD2 . TYR A 1 483 ? 1.700 -11.558 -21.895 1.00 68.72 ? 501 TYR B CD2 1 ATOM 3857 C CE1 . TYR A 1 483 ? 3.176 -10.294 -23.854 1.00 75.57 ? 501 TYR B CE1 1 ATOM 3858 C CE2 . TYR A 1 483 ? 2.809 -10.813 -21.547 1.00 72.69 ? 501 TYR B CE2 1 ATOM 3859 C CZ . TYR A 1 483 ? 3.544 -10.183 -22.526 1.00 77.55 ? 501 TYR B CZ 1 ATOM 3860 O OH . TYR A 1 483 ? 4.649 -9.444 -22.167 1.00 83.92 ? 501 TYR B OH 1 ATOM 3861 N N . LEU A 1 484 ? -2.007 -11.835 -21.309 1.00 58.47 ? 502 LEU B N 1 ATOM 3862 C CA . LEU A 1 484 ? -2.167 -11.465 -19.910 1.00 53.67 ? 502 LEU B CA 1 ATOM 3863 C C . LEU A 1 484 ? -1.717 -12.642 -19.060 1.00 56.97 ? 502 LEU B C 1 ATOM 3864 O O . LEU A 1 484 ? -2.167 -13.775 -19.276 1.00 60.42 ? 502 LEU B O 1 ATOM 3865 C CB . LEU A 1 484 ? -3.620 -11.119 -19.579 1.00 48.21 ? 502 LEU B CB 1 ATOM 3866 C CG . LEU A 1 484 ? -4.336 -10.060 -20.411 1.00 49.04 ? 502 LEU B CG 1 ATOM 3867 C CD1 . LEU A 1 484 ? -5.827 -10.213 -20.218 1.00 48.66 ? 502 LEU B CD1 1 ATOM 3868 C CD2 . LEU A 1 484 ? -3.893 -8.669 -20.005 1.00 50.86 ? 502 LEU B CD2 1 ATOM 3869 N N . ILE A 1 485 ? -0.833 -12.380 -18.103 1.00 53.02 ? 503 ILE B N 1 ATOM 3870 C CA . ILE A 1 485 ? -0.323 -13.400 -17.195 1.00 53.68 ? 503 ILE B CA 1 ATOM 3871 C C . ILE A 1 485 ? -0.852 -13.093 -15.804 1.00 55.77 ? 503 ILE B C 1 ATOM 3872 O O . ILE A 1 485 ? -0.646 -11.988 -15.283 1.00 63.33 ? 503 ILE B O 1 ATOM 3873 C CB . ILE A 1 485 ? 1.210 -13.454 -17.201 1.00 54.05 ? 503 ILE B CB 1 ATOM 3874 C CG1 . ILE A 1 485 ? 1.723 -13.608 -18.630 1.00 60.12 ? 503 ILE B CG1 1 ATOM 3875 C CG2 . ILE A 1 485 ? 1.704 -14.599 -16.329 1.00 52.44 ? 503 ILE B CG2 1 ATOM 3876 C CD1 . ILE A 1 485 ? 3.223 -13.603 -18.738 1.00 64.38 ? 503 ILE B CD1 1 ATOM 3877 N N . LEU A 1 486 ? -1.528 -14.072 -15.206 1.00 51.44 ? 504 LEU B N 1 ATOM 3878 C CA . LEU A 1 486 ? -2.148 -13.937 -13.898 1.00 55.40 ? 504 LEU B CA 1 ATOM 3879 C C . LEU A 1 486 ? -1.527 -14.920 -12.916 1.00 61.06 ? 504 LEU B C 1 ATOM 3880 O O . LEU A 1 486 ? -1.119 -16.024 -13.290 1.00 65.11 ? 504 LEU B O 1 ATOM 3881 C CB . LEU A 1 486 ? -3.659 -14.189 -13.960 1.00 52.53 ? 504 LEU B CB 1 ATOM 3882 C CG . LEU A 1 486 ? -4.586 -13.043 -14.356 1.00 53.95 ? 504 LEU B CG 1 ATOM 3883 C CD1 . LEU A 1 486 ? -4.485 -12.744 -15.845 1.00 53.29 ? 504 LEU B CD1 1 ATOM 3884 C CD2 . LEU A 1 486 ? -6.020 -13.366 -13.950 1.00 52.75 ? 504 LEU B CD2 1 ATOM 3885 N N . SER A 1 487 ? -1.477 -14.517 -11.648 1.00 58.43 ? 505 SER B N 1 ATOM 3886 C CA . SER A 1 487 ? -0.985 -15.404 -10.602 1.00 58.15 ? 505 SER B CA 1 ATOM 3887 C C . SER A 1 487 ? -1.569 -14.979 -9.265 1.00 57.11 ? 505 SER B C 1 ATOM 3888 O O . SER A 1 487 ? -1.549 -13.791 -8.928 1.00 56.46 ? 505 SER B O 1 ATOM 3889 C CB . SER A 1 487 ? 0.542 -15.394 -10.540 1.00 57.16 ? 505 SER B CB 1 ATOM 3890 O OG . SER A 1 487 ? 1.004 -16.373 -9.629 1.00 56.76 ? 505 SER B OG 1 ATOM 3891 N N . LYS A 1 488 ? -2.080 -15.953 -8.510 1.00 55.81 ? 506 LYS B N 1 ATOM 3892 C CA . LYS A 1 488 ? -2.648 -15.706 -7.185 1.00 53.03 ? 506 LYS B CA 1 ATOM 3893 C C . LYS A 1 488 ? -3.745 -14.647 -7.243 1.00 54.80 ? 506 LYS B C 1 ATOM 3894 O O . LYS A 1 488 ? -3.875 -13.810 -6.349 1.00 56.66 ? 506 LYS B O 1 ATOM 3895 C CB . LYS A 1 488 ? -1.560 -15.313 -6.185 1.00 50.05 ? 506 LYS B CB 1 ATOM 3896 C CG . LYS A 1 488 ? -0.521 -16.396 -5.955 1.00 51.09 ? 506 LYS B CG 1 ATOM 3897 C CD . LYS A 1 488 ? 0.652 -15.883 -5.134 1.00 53.16 ? 506 LYS B CD 1 ATOM 3898 C CE . LYS A 1 488 ? 1.470 -14.853 -5.900 1.00 56.36 ? 506 LYS B CE 1 ATOM 3899 N NZ . LYS A 1 488 ? 2.146 -15.451 -7.084 1.00 57.67 ? 506 LYS B NZ 1 ATOM 3900 N N . GLY A 1 489 ? -4.532 -14.675 -8.315 1.00 53.76 ? 507 GLY B N 1 ATOM 3901 C CA . GLY A 1 489 ? -5.666 -13.783 -8.433 1.00 46.23 ? 507 GLY B CA 1 ATOM 3902 C C . GLY A 1 489 ? -5.331 -12.365 -8.827 1.00 44.32 ? 507 GLY B C 1 ATOM 3903 O O . GLY A 1 489 ? -6.174 -11.478 -8.668 1.00 46.51 ? 507 GLY B O 1 ATOM 3904 N N . LYS A 1 490 ? -4.128 -12.119 -9.339 1.00 44.39 ? 508 LYS B N 1 ATOM 3905 C CA . LYS A 1 490 ? -3.719 -10.781 -9.739 1.00 48.01 ? 508 LYS B CA 1 ATOM 3906 C C . LYS A 1 490 ? -3.020 -10.839 -11.089 1.00 50.40 ? 508 LYS B C 1 ATOM 3907 O O . LYS A 1 490 ? -2.219 -11.743 -11.345 1.00 52.41 ? 508 LYS B O 1 ATOM 3908 C CB . LYS A 1 490 ? -2.795 -10.147 -8.691 1.00 53.76 ? 508 LYS B CB 1 ATOM 3909 C CG . LYS A 1 490 ? -3.452 -9.968 -7.333 1.00 58.72 ? 508 LYS B CG 1 ATOM 3910 C CD . LYS A 1 490 ? -2.549 -9.245 -6.354 1.00 63.24 ? 508 LYS B CD 1 ATOM 3911 C CE . LYS A 1 490 ? -3.242 -9.073 -5.014 1.00 65.91 ? 508 LYS B CE 1 ATOM 3912 N NZ . LYS A 1 490 ? -2.414 -8.289 -4.064 1.00 71.81 ? 508 LYS B NZ 1 ATOM 3913 N N . ILE A 1 491 ? -3.330 -9.874 -11.953 1.00 48.46 ? 509 ILE B N 1 ATOM 3914 C CA . ILE A 1 491 ? -2.674 -9.795 -13.255 1.00 52.37 ? 509 ILE B CA 1 ATOM 3915 C C . ILE A 1 491 ? -1.244 -9.324 -13.025 1.00 55.18 ? 509 ILE B C 1 ATOM 3916 O O . ILE A 1 491 ? -1.012 -8.158 -12.695 1.00 58.40 ? 509 ILE B O 1 ATOM 3917 C CB . ILE A 1 491 ? -3.415 -8.857 -14.213 1.00 55.00 ? 509 ILE B CB 1 ATOM 3918 C CG1 . ILE A 1 491 ? -4.857 -9.311 -14.420 1.00 51.02 ? 509 ILE B CG1 1 ATOM 3919 C CG2 . ILE A 1 491 ? -2.696 -8.799 -15.551 1.00 56.27 ? 509 ILE B CG2 1 ATOM 3920 C CD1 . ILE A 1 491 ? -5.684 -8.299 -15.171 1.00 44.05 ? 509 ILE B CD1 1 ATOM 3921 N N . ILE A 1 492 ? -0.280 -10.223 -13.199 1.00 56.00 ? 510 ILE B N 1 ATOM 3922 C CA . ILE A 1 492 ? 1.109 -9.847 -12.982 1.00 57.54 ? 510 ILE B CA 1 ATOM 3923 C C . ILE A 1 492 ? 1.769 -9.325 -14.254 1.00 60.45 ? 510 ILE B C 1 ATOM 3924 O O . ILE A 1 492 ? 2.681 -8.496 -14.174 1.00 64.80 ? 510 ILE B O 1 ATOM 3925 C CB . ILE A 1 492 ? 1.906 -11.022 -12.388 1.00 56.52 ? 510 ILE B CB 1 ATOM 3926 C CG1 . ILE A 1 492 ? 1.865 -12.235 -13.316 1.00 54.52 ? 510 ILE B CG1 1 ATOM 3927 C CG2 . ILE A 1 492 ? 1.362 -11.391 -11.018 1.00 54.07 ? 510 ILE B CG2 1 ATOM 3928 C CD1 . ILE A 1 492 ? 2.692 -13.401 -12.822 1.00 56.14 ? 510 ILE B CD1 1 ATOM 3929 N N . HIS A 1 493 ? 1.336 -9.772 -15.432 1.00 62.02 ? 511 HIS B N 1 ATOM 3930 C CA . HIS A 1 493 ? 1.965 -9.313 -16.665 1.00 70.06 ? 511 HIS B CA 1 ATOM 3931 C C . HIS A 1 493 ? 0.924 -9.118 -17.760 1.00 67.95 ? 511 HIS B C 1 ATOM 3932 O O . HIS A 1 493 ? -0.209 -9.594 -17.670 1.00 68.47 ? 511 HIS B O 1 ATOM 3933 C CB . HIS A 1 493 ? 3.050 -10.285 -17.154 1.00 73.31 ? 511 HIS B CB 1 ATOM 3934 C CG . HIS A 1 493 ? 4.197 -10.446 -16.205 1.00 76.52 ? 511 HIS B CG 1 ATOM 3935 N ND1 . HIS A 1 493 ? 4.400 -11.596 -15.473 1.00 81.21 ? 511 HIS B ND1 1 ATOM 3936 C CD2 . HIS A 1 493 ? 5.206 -9.606 -15.873 1.00 77.70 ? 511 HIS B CD2 1 ATOM 3937 C CE1 . HIS A 1 493 ? 5.482 -11.457 -14.728 1.00 82.07 ? 511 HIS B CE1 1 ATOM 3938 N NE2 . HIS A 1 493 ? 5.991 -10.259 -14.952 1.00 81.05 ? 511 HIS B NE2 1 ATOM 3939 N N . PHE A 1 494 ? 1.337 -8.408 -18.805 1.00 59.72 ? 512 PHE B N 1 ATOM 3940 C CA . PHE A 1 494 ? 0.495 -8.145 -19.962 1.00 60.99 ? 512 PHE B CA 1 ATOM 3941 C C . PHE A 1 494 ? 1.372 -7.579 -21.064 1.00 65.28 ? 512 PHE B C 1 ATOM 3942 O O . PHE A 1 494 ? 2.402 -6.960 -20.787 1.00 67.78 ? 512 PHE B O 1 ATOM 3943 C CB . PHE A 1 494 ? -0.632 -7.162 -19.629 1.00 62.19 ? 512 PHE B CB 1 ATOM 3944 C CG . PHE A 1 494 ? -0.160 -5.757 -19.396 1.00 66.66 ? 512 PHE B CG 1 ATOM 3945 C CD1 . PHE A 1 494 ? 0.327 -5.373 -18.160 1.00 66.96 ? 512 PHE B CD1 1 ATOM 3946 C CD2 . PHE A 1 494 ? -0.213 -4.816 -20.411 1.00 73.11 ? 512 PHE B CD2 1 ATOM 3947 C CE1 . PHE A 1 494 ? 0.757 -4.080 -17.940 1.00 68.08 ? 512 PHE B CE1 1 ATOM 3948 C CE2 . PHE A 1 494 ? 0.216 -3.520 -20.198 1.00 75.64 ? 512 PHE B CE2 1 ATOM 3949 C CZ . PHE A 1 494 ? 0.701 -3.153 -18.958 1.00 72.64 ? 512 PHE B CZ 1 ATOM 3950 N N . GLY A 1 495 ? 0.959 -7.784 -22.310 1.00 65.31 ? 513 GLY B N 1 ATOM 3951 C CA . GLY A 1 495 ? 1.723 -7.223 -23.404 1.00 64.73 ? 513 GLY B CA 1 ATOM 3952 C C . GLY A 1 495 ? 1.259 -7.732 -24.754 1.00 68.38 ? 513 GLY B C 1 ATOM 3953 O O . GLY A 1 495 ? 0.185 -8.326 -24.891 1.00 68.72 ? 513 GLY B O 1 ATOM 3954 N N . THR A 1 496 ? 2.114 -7.489 -25.746 1.00 70.64 ? 514 THR B N 1 ATOM 3955 C CA . THR A 1 496 ? 1.791 -7.689 -27.151 1.00 76.43 ? 514 THR B CA 1 ATOM 3956 C C . THR A 1 496 ? 3.052 -8.115 -27.889 1.00 82.19 ? 514 THR B C 1 ATOM 3957 O O . THR A 1 496 ? 4.141 -7.605 -27.609 1.00 84.22 ? 514 THR B O 1 ATOM 3958 C CB . THR A 1 496 ? 1.212 -6.404 -27.766 1.00 77.17 ? 514 THR B CB 1 ATOM 3959 O OG1 . THR A 1 496 ? -0.064 -6.126 -27.180 1.00 83.73 ? 514 THR B OG1 1 ATOM 3960 C CG2 . THR A 1 496 ? 1.041 -6.536 -29.259 1.00 71.43 ? 514 THR B CG2 1 ATOM 3961 N N . ARG A 1 497 ? 2.900 -9.059 -28.819 1.00 84.31 ? 515 ARG B N 1 ATOM 3962 C CA . ARG A 1 497 ? 3.998 -9.557 -29.634 1.00 89.16 ? 515 ARG B CA 1 ATOM 3963 C C . ARG A 1 497 ? 3.656 -9.423 -31.113 1.00 93.62 ? 515 ARG B C 1 ATOM 3964 O O . ARG A 1 497 ? 2.496 -9.562 -31.517 1.00 87.52 ? 515 ARG B O 1 ATOM 3965 C CB . ARG A 1 497 ? 4.321 -11.019 -29.305 1.00 88.80 ? 515 ARG B CB 1 ATOM 3966 C CG . ARG A 1 497 ? 4.735 -11.253 -27.856 1.00 89.24 ? 515 ARG B CG 1 ATOM 3967 C CD . ARG A 1 497 ? 6.010 -10.500 -27.500 1.00 91.31 ? 515 ARG B CD 1 ATOM 3968 N NE . ARG A 1 497 ? 6.393 -10.714 -26.106 1.00 95.56 ? 515 ARG B NE 1 ATOM 3969 C CZ . ARG A 1 497 ? 7.155 -11.720 -25.683 1.00 99.28 ? 515 ARG B CZ 1 ATOM 3970 N NH1 . ARG A 1 497 ? 7.624 -12.614 -26.545 1.00 105.46 ? 515 ARG B NH1 1 ATOM 3971 N NH2 . ARG A 1 497 ? 7.449 -11.833 -24.395 1.00 93.83 ? 515 ARG B NH2 1 ATOM 3972 N N . GLU A 1 498 ? 4.684 -9.149 -31.915 1.00 103.65 ? 516 GLU B N 1 ATOM 3973 C CA . GLU A 1 498 ? 4.500 -8.981 -33.350 1.00 109.16 ? 516 GLU B CA 1 ATOM 3974 C C . GLU A 1 498 ? 4.197 -10.315 -34.020 1.00 110.46 ? 516 GLU B C 1 ATOM 3975 O O . GLU A 1 498 ? 4.848 -11.327 -33.750 1.00 116.01 ? 516 GLU B O 1 ATOM 3976 C CB . GLU A 1 498 ? 5.743 -8.357 -33.983 1.00 116.30 ? 516 GLU B CB 1 ATOM 3977 C CG . GLU A 1 498 ? 5.829 -6.850 -33.831 1.00 120.64 ? 516 GLU B CG 1 ATOM 3978 C CD . GLU A 1 498 ? 6.560 -6.191 -34.986 1.00 125.13 ? 516 GLU B CD 1 ATOM 3979 O OE1 . GLU A 1 498 ? 7.238 -6.908 -35.753 1.00 127.49 ? 516 GLU B OE1 1 ATOM 3980 O OE2 . GLU A 1 498 ? 6.448 -4.956 -35.132 1.00 125.76 ? 516 GLU B OE2 1 ATOM 3981 N N . LYS A 1 499 ? 3.206 -10.306 -34.906 1.00 107.29 ? 517 LYS B N 1 ATOM 3982 C CA . LYS A 1 499 ? 2.799 -11.502 -35.632 1.00 108.05 ? 517 LYS B CA 1 ATOM 3983 C C . LYS A 1 499 ? 3.584 -11.596 -36.935 1.00 117.84 ? 517 LYS B C 1 ATOM 3984 O O . LYS A 1 499 ? 3.535 -10.679 -37.763 1.00 120.49 ? 517 LYS B O 1 ATOM 3985 C CB . LYS A 1 499 ? 1.295 -11.475 -35.904 1.00 100.27 ? 517 LYS B CB 1 ATOM 3986 C CG . LYS A 1 499 ? 0.793 -12.625 -36.763 1.00 96.57 ? 517 LYS B CG 1 ATOM 3987 C CD . LYS A 1 499 ? -0.724 -12.609 -36.857 1.00 92.20 ? 517 LYS B CD 1 ATOM 3988 C CE . LYS A 1 499 ? -1.247 -13.730 -37.736 1.00 90.15 ? 517 LYS B CE 1 ATOM 3989 N NZ . LYS A 1 499 ? -0.779 -13.580 -39.140 1.00 92.98 ? 517 LYS B NZ 1 ATOM 3990 N N . PHE A 1 500 ? 4.305 -12.701 -37.117 1.00 123.78 ? 518 PHE B N 1 ATOM 3991 C CA . PHE A 1 500 ? 5.093 -12.909 -38.327 1.00 129.44 ? 518 PHE B CA 1 ATOM 3992 C C . PHE A 1 500 ? 4.176 -13.358 -39.460 1.00 126.69 ? 518 PHE B C 1 ATOM 3993 O O . PHE A 1 500 ? 3.467 -14.362 -39.334 1.00 125.72 ? 518 PHE B O 1 ATOM 3994 C CB . PHE A 1 500 ? 6.191 -13.945 -38.086 1.00 134.31 ? 518 PHE B CB 1 ATOM 3995 C CG . PHE A 1 500 ? 7.116 -13.605 -36.948 1.00 138.28 ? 518 PHE B CG 1 ATOM 3996 C CD1 . PHE A 1 500 ? 7.388 -12.286 -36.622 1.00 139.80 ? 518 PHE B CD1 1 ATOM 3997 C CD2 . PHE A 1 500 ? 7.713 -14.611 -36.202 1.00 140.08 ? 518 PHE B CD2 1 ATOM 3998 C CE1 . PHE A 1 500 ? 8.236 -11.976 -35.573 1.00 140.86 ? 518 PHE B CE1 1 ATOM 3999 C CE2 . PHE A 1 500 ? 8.563 -14.307 -35.153 1.00 140.92 ? 518 PHE B CE2 1 ATOM 4000 C CZ . PHE A 1 500 ? 8.825 -12.989 -34.838 1.00 140.99 ? 518 PHE B CZ 1 ATOM 4001 N N . SER A 1 501 ? 4.193 -12.619 -40.571 1.00 128.73 ? 519 SER B N 1 ATOM 4002 C CA . SER A 1 501 ? 3.387 -12.984 -41.730 1.00 130.30 ? 519 SER B CA 1 ATOM 4003 C C . SER A 1 501 ? 3.922 -14.208 -42.464 1.00 136.46 ? 519 SER B C 1 ATOM 4004 O O . SER A 1 501 ? 3.269 -14.680 -43.401 1.00 135.09 ? 519 SER B O 1 ATOM 4005 C CB . SER A 1 501 ? 3.297 -11.801 -42.696 1.00 127.56 ? 519 SER B CB 1 ATOM 4006 O OG . SER A 1 501 ? 2.782 -10.652 -42.046 1.00 122.43 ? 519 SER B OG 1 ATOM 4007 N N . ASP A 1 502 ? 5.080 -14.733 -42.061 1.00 140.11 ? 520 ASP B N 1 ATOM 4008 C CA . ASP A 1 502 ? 5.697 -15.865 -42.741 1.00 143.32 ? 520 ASP B CA 1 ATOM 4009 C C . ASP A 1 502 ? 5.714 -17.099 -41.845 1.00 141.51 ? 520 ASP B C 1 ATOM 4010 O O . ASP A 1 502 ? 6.781 -17.663 -41.578 1.00 145.02 ? 520 ASP B O 1 ATOM 4011 C CB . ASP A 1 502 ? 7.116 -15.499 -43.188 1.00 148.03 ? 520 ASP B CB 1 ATOM 4012 C CG . ASP A 1 502 ? 7.754 -16.568 -44.059 1.00 155.24 ? 520 ASP B CG 1 ATOM 4013 O OD1 . ASP A 1 502 ? 7.324 -16.728 -45.221 1.00 158.47 ? 520 ASP B OD1 1 ATOM 4014 O OD2 . ASP A 1 502 ? 8.692 -17.241 -43.581 1.00 157.22 ? 520 ASP B OD2 1 ATOM 4015 N N . ALA A 1 503 ? 4.539 -17.518 -41.376 1.00 137.92 ? 521 ALA B N 1 ATOM 4016 C CA . ALA A 1 503 ? 4.360 -18.723 -40.572 1.00 131.63 ? 521 ALA B CA 1 ATOM 4017 C C . ALA A 1 503 ? 2.887 -18.815 -40.192 1.00 125.98 ? 521 ALA B C 1 ATOM 4018 O O . ALA A 1 503 ? 2.115 -17.870 -40.379 1.00 122.76 ? 521 ALA B O 1 ATOM 4019 C CB . ALA A 1 503 ? 5.228 -18.734 -39.310 1.00 127.79 ? 521 ALA B CB 1 ATOM 4020 N N . SER A 1 504 ? 2.506 -19.979 -39.663 1.00 124.78 ? 522 SER B N 1 ATOM 4021 C CA . SER A 1 504 ? 1.206 -20.152 -39.026 1.00 120.72 ? 522 SER B CA 1 ATOM 4022 C C . SER A 1 504 ? 1.292 -19.928 -37.522 1.00 116.86 ? 522 SER B C 1 ATOM 4023 O O . SER A 1 504 ? 0.437 -19.252 -36.942 1.00 113.69 ? 522 SER B O 1 ATOM 4024 C CB . SER A 1 504 ? 0.655 -21.552 -39.313 1.00 121.18 ? 522 SER B CB 1 ATOM 4025 O OG . SER A 1 504 ? 0.593 -21.805 -40.707 1.00 122.73 ? 522 SER B OG 1 ATOM 4026 N N . TYR A 1 505 ? 2.320 -20.481 -36.888 1.00 120.15 ? 523 TYR B N 1 ATOM 4027 C CA . TYR A 1 505 ? 2.595 -20.300 -35.472 1.00 119.33 ? 523 TYR B CA 1 ATOM 4028 C C . TYR A 1 505 ? 3.871 -19.489 -35.293 1.00 114.71 ? 523 TYR B C 1 ATOM 4029 O O . TYR A 1 505 ? 4.708 -19.394 -36.194 1.00 118.11 ? 523 TYR B O 1 ATOM 4030 C CB . TYR A 1 505 ? 2.737 -21.653 -34.765 1.00 124.96 ? 523 TYR B CB 1 ATOM 4031 C CG . TYR A 1 505 ? 3.537 -22.664 -35.558 1.00 136.13 ? 523 TYR B CG 1 ATOM 4032 C CD1 . TYR A 1 505 ? 4.927 -22.630 -35.568 1.00 141.43 ? 523 TYR B CD1 1 ATOM 4033 C CD2 . TYR A 1 505 ? 2.902 -23.646 -36.308 1.00 140.36 ? 523 TYR B CD2 1 ATOM 4034 C CE1 . TYR A 1 505 ? 5.661 -23.549 -36.301 1.00 145.39 ? 523 TYR B CE1 1 ATOM 4035 C CE2 . TYR A 1 505 ? 3.628 -24.569 -37.043 1.00 144.02 ? 523 TYR B CE2 1 ATOM 4036 C CZ . TYR A 1 505 ? 5.006 -24.516 -37.035 1.00 145.38 ? 523 TYR B CZ 1 ATOM 4037 O OH . TYR A 1 505 ? 5.730 -25.432 -37.764 1.00 146.86 ? 523 TYR B OH 1 ATOM 4038 N N . GLN A 1 506 ? 4.013 -18.902 -34.109 1.00 108.41 ? 524 GLN B N 1 ATOM 4039 C CA . GLN A 1 506 ? 5.253 -18.232 -33.753 1.00 109.35 ? 524 GLN B CA 1 ATOM 4040 C C . GLN A 1 506 ? 5.451 -18.352 -32.249 1.00 109.30 ? 524 GLN B C 1 ATOM 4041 O O . GLN A 1 506 ? 4.489 -18.299 -31.480 1.00 106.89 ? 524 GLN B O 1 ATOM 4042 C CB . GLN A 1 506 ? 5.255 -16.764 -34.197 1.00 106.20 ? 524 GLN B CB 1 ATOM 4043 C CG . GLN A 1 506 ? 4.210 -15.894 -33.532 1.00 99.88 ? 524 GLN B CG 1 ATOM 4044 C CD . GLN A 1 506 ? 4.289 -14.455 -33.993 1.00 97.27 ? 524 GLN B CD 1 ATOM 4045 O OE1 . GLN A 1 506 ? 4.547 -14.181 -35.165 1.00 99.52 ? 524 GLN B OE1 1 ATOM 4046 N NE2 . GLN A 1 506 ? 4.080 -13.526 -33.069 1.00 93.75 ? 524 GLN B NE2 1 ATOM 4047 N N . SER A 1 507 ? 6.703 -18.534 -31.845 1.00 111.46 ? 525 SER B N 1 ATOM 4048 C CA . SER A 1 507 ? 7.030 -18.779 -30.448 1.00 107.63 ? 525 SER B CA 1 ATOM 4049 C C . SER A 1 507 ? 7.035 -17.466 -29.675 1.00 103.79 ? 525 SER B C 1 ATOM 4050 O O . SER A 1 507 ? 7.779 -16.541 -30.013 1.00 109.51 ? 525 SER B O 1 ATOM 4051 C CB . SER A 1 507 ? 8.387 -19.468 -30.339 1.00 113.54 ? 525 SER B CB 1 ATOM 4052 O OG . SER A 1 507 ? 8.317 -20.815 -30.769 1.00 118.25 ? 525 SER B OG 1 ATOM 4053 N N . ILE A 1 508 ? 6.203 -17.387 -28.645 1.00 97.06 ? 526 ILE B N 1 ATOM 4054 C CA . ILE A 1 508 ? 6.225 -16.291 -27.687 1.00 92.65 ? 526 ILE B CA 1 ATOM 4055 C C . ILE A 1 508 ? 6.972 -16.772 -26.452 1.00 88.38 ? 526 ILE B C 1 ATOM 4056 O O . ILE A 1 508 ? 6.609 -17.793 -25.856 1.00 83.76 ? 526 ILE B O 1 ATOM 4057 C CB . ILE A 1 508 ? 4.806 -15.830 -27.326 1.00 87.98 ? 526 ILE B CB 1 ATOM 4058 C CG1 . ILE A 1 508 ? 4.168 -15.092 -28.501 1.00 89.78 ? 526 ILE B CG1 1 ATOM 4059 C CG2 . ILE A 1 508 ? 4.830 -14.953 -26.087 1.00 83.20 ? 526 ILE B CG2 1 ATOM 4060 C CD1 . ILE A 1 508 ? 2.773 -14.591 -28.211 1.00 85.95 ? 526 ILE B CD1 1 ATOM 4061 N N . ASN A 1 509 ? 8.017 -16.050 -26.067 1.00 87.77 ? 527 ASN B N 1 ATOM 4062 C CA . ASN A 1 509 ? 8.831 -16.424 -24.920 1.00 85.71 ? 527 ASN B CA 1 ATOM 4063 C C . ASN A 1 509 ? 8.358 -15.662 -23.690 1.00 81.75 ? 527 ASN B C 1 ATOM 4064 O O . ASN A 1 509 ? 8.130 -14.450 -23.751 1.00 83.41 ? 527 ASN B O 1 ATOM 4065 C CB . ASN A 1 509 ? 10.310 -16.146 -25.184 1.00 91.29 ? 527 ASN B CB 1 ATOM 4066 C CG . ASN A 1 509 ? 11.211 -16.767 -24.135 1.00 96.35 ? 527 ASN B CG 1 ATOM 4067 O OD1 . ASN A 1 509 ? 11.632 -17.917 -24.263 1.00 99.27 ? 527 ASN B OD1 1 ATOM 4068 N ND2 . ASN A 1 509 ? 11.510 -16.008 -23.087 1.00 96.24 ? 527 ASN B ND2 1 ATOM 4069 N N . ILE A 1 510 ? 8.206 -16.380 -22.583 1.00 77.47 ? 528 ILE B N 1 ATOM 4070 C CA . ILE A 1 510 ? 7.778 -15.804 -21.313 1.00 77.49 ? 528 ILE B CA 1 ATOM 4071 C C . ILE A 1 510 ? 8.753 -16.240 -20.228 1.00 78.70 ? 528 ILE B C 1 ATOM 4072 O O . ILE A 1 510 ? 8.755 -17.417 -19.836 1.00 77.11 ? 528 ILE B O 1 ATOM 4073 C CB . ILE A 1 510 ? 6.349 -16.231 -20.948 1.00 73.84 ? 528 ILE B CB 1 ATOM 4074 C CG1 . ILE A 1 510 ? 5.345 -15.695 -21.965 1.00 75.00 ? 528 ILE B CG1 1 ATOM 4075 C CG2 . ILE A 1 510 ? 6.003 -15.766 -19.549 1.00 67.17 ? 528 ILE B CG2 1 ATOM 4076 C CD1 . ILE A 1 510 ? 4.510 -16.781 -22.593 1.00 75.59 ? 528 ILE B CD1 1 ATOM 4077 N N . PRO A 1 511 ? 9.594 -15.343 -19.716 1.00 79.79 ? 529 PRO B N 1 ATOM 4078 C CA . PRO A 1 511 ? 10.472 -15.704 -18.592 1.00 78.22 ? 529 PRO B CA 1 ATOM 4079 C C . PRO A 1 511 ? 9.646 -15.978 -17.344 1.00 73.43 ? 529 PRO B C 1 ATOM 4080 O O . PRO A 1 511 ? 8.875 -15.127 -16.899 1.00 70.82 ? 529 PRO B O 1 ATOM 4081 C CB . PRO A 1 511 ? 11.362 -14.467 -18.426 1.00 79.78 ? 529 PRO B CB 1 ATOM 4082 C CG . PRO A 1 511 ? 10.559 -13.347 -19.011 1.00 81.22 ? 529 PRO B CG 1 ATOM 4083 C CD . PRO A 1 511 ? 9.783 -13.947 -20.147 1.00 81.75 ? 529 PRO B CD 1 ATOM 4084 N N . VAL A 1 512 ? 9.802 -17.177 -16.789 1.00 74.18 ? 530 VAL B N 1 ATOM 4085 C CA . VAL A 1 512 ? 9.071 -17.560 -15.584 1.00 75.16 ? 530 VAL B CA 1 ATOM 4086 C C . VAL A 1 512 ? 9.777 -16.962 -14.370 1.00 76.90 ? 530 VAL B C 1 ATOM 4087 O O . VAL A 1 512 ? 10.960 -17.227 -14.130 1.00 79.92 ? 530 VAL B O 1 ATOM 4088 C CB . VAL A 1 512 ? 8.945 -19.088 -15.472 1.00 72.01 ? 530 VAL B CB 1 ATOM 4089 C CG1 . VAL A 1 512 ? 10.255 -19.768 -15.831 1.00 73.82 ? 530 VAL B CG1 1 ATOM 4090 C CG2 . VAL A 1 512 ? 8.486 -19.491 -14.075 1.00 69.05 ? 530 VAL B CG2 1 ATOM 4091 N N . THR A 1 513 ? 9.053 -16.148 -13.609 1.00 73.74 ? 531 THR B N 1 ATOM 4092 C CA . THR A 1 513 ? 9.602 -15.406 -12.485 1.00 75.86 ? 531 THR B CA 1 ATOM 4093 C C . THR A 1 513 ? 9.013 -15.910 -11.172 1.00 73.29 ? 531 THR B C 1 ATOM 4094 O O . THR A 1 513 ? 8.101 -16.740 -11.144 1.00 72.56 ? 531 THR B O 1 ATOM 4095 C CB . THR A 1 513 ? 9.336 -13.903 -12.647 1.00 77.21 ? 531 THR B CB 1 ATOM 4096 O OG1 . THR A 1 513 ? 7.924 -13.669 -12.751 1.00 81.70 ? 531 THR B OG1 1 ATOM 4097 C CG2 . THR A 1 513 ? 10.018 -13.380 -13.892 1.00 73.35 ? 531 THR B CG2 1 ATOM 4098 N N . GLN A 1 514 ? 9.559 -15.388 -10.069 1.00 69.99 ? 532 GLN B N 1 ATOM 4099 C CA . GLN A 1 514 ? 9.087 -15.771 -8.744 1.00 66.63 ? 532 GLN B CA 1 ATOM 4100 C C . GLN A 1 514 ? 7.650 -15.329 -8.499 1.00 66.98 ? 532 GLN B C 1 ATOM 4101 O O . GLN A 1 514 ? 6.955 -15.943 -7.681 1.00 66.34 ? 532 GLN B O 1 ATOM 4102 C CB . GLN A 1 514 ? 10.017 -15.191 -7.674 1.00 66.68 ? 532 GLN B CB 1 ATOM 4103 C CG . GLN A 1 514 ? 9.688 -15.601 -6.242 1.00 61.68 ? 532 GLN B CG 1 ATOM 4104 C CD . GLN A 1 514 ? 9.884 -17.083 -5.994 1.00 63.56 ? 532 GLN B CD 1 ATOM 4105 O OE1 . GLN A 1 514 ? 10.812 -17.697 -6.521 1.00 70.27 ? 532 GLN B OE1 1 ATOM 4106 N NE2 . GLN A 1 514 ? 9.005 -17.668 -5.188 1.00 59.76 ? 532 GLN B NE2 1 ATOM 4107 N N . ASN A 1 515 ? 7.186 -14.286 -9.197 1.00 71.59 ? 533 ASN B N 1 ATOM 4108 C CA . ASN A 1 515 ? 5.793 -13.859 -9.089 1.00 73.21 ? 533 ASN B CA 1 ATOM 4109 C C . ASN A 1 515 ? 4.819 -14.952 -9.506 1.00 68.49 ? 533 ASN B C 1 ATOM 4110 O O . ASN A 1 515 ? 3.640 -14.889 -9.143 1.00 63.22 ? 533 ASN B O 1 ATOM 4111 C CB . ASN A 1 515 ? 5.545 -12.621 -9.953 1.00 82.99 ? 533 ASN B CB 1 ATOM 4112 C CG . ASN A 1 515 ? 6.544 -11.515 -9.695 1.00 94.24 ? 533 ASN B CG 1 ATOM 4113 O OD1 . ASN A 1 515 ? 7.576 -11.726 -9.059 1.00 99.65 ? 533 ASN B OD1 1 ATOM 4114 N ND2 . ASN A 1 515 ? 6.244 -10.323 -10.200 1.00 99.15 ? 533 ASN B ND2 1 ATOM 4115 N N . MET A 1 516 ? 5.281 -15.946 -10.259 1.00 68.28 ? 534 MET B N 1 ATOM 4116 C CA . MET A 1 516 ? 4.409 -16.961 -10.824 1.00 64.50 ? 534 MET B CA 1 ATOM 4117 C C . MET A 1 516 ? 4.293 -18.209 -9.954 1.00 62.11 ? 534 MET B C 1 ATOM 4118 O O . MET A 1 516 ? 3.480 -19.087 -10.261 1.00 60.40 ? 534 MET B O 1 ATOM 4119 C CB . MET A 1 516 ? 4.908 -17.327 -12.222 1.00 63.38 ? 534 MET B CB 1 ATOM 4120 C CG . MET A 1 516 ? 5.090 -16.114 -13.115 1.00 65.02 ? 534 MET B CG 1 ATOM 4121 S SD . MET A 1 516 ? 5.708 -16.504 -14.762 1.00 65.95 ? 534 MET B SD 1 ATOM 4122 C CE . MET A 1 516 ? 4.494 -17.704 -15.294 1.00 66.36 ? 534 MET B CE 1 ATOM 4123 N N . VAL A 1 517 ? 5.074 -18.303 -8.884 1.00 62.74 ? 535 VAL B N 1 ATOM 4124 C CA . VAL A 1 517 ? 4.971 -19.403 -7.930 1.00 58.88 ? 535 VAL B CA 1 ATOM 4125 C C . VAL A 1 517 ? 3.655 -19.286 -7.159 1.00 52.74 ? 535 VAL B C 1 ATOM 4126 O O . VAL A 1 517 ? 3.270 -18.185 -6.767 1.00 51.64 ? 535 VAL B O 1 ATOM 4127 C CB . VAL A 1 517 ? 6.181 -19.399 -6.978 1.00 58.09 ? 535 VAL B CB 1 ATOM 4128 C CG1 . VAL A 1 517 ? 6.225 -20.659 -6.140 1.00 60.77 ? 535 VAL B CG1 1 ATOM 4129 C CG2 . VAL A 1 517 ? 7.471 -19.235 -7.765 1.00 56.82 ? 535 VAL B CG2 1 ATOM 4130 N N . PRO A 1 518 ? 2.947 -20.410 -6.946 1.00 52.67 ? 536 PRO B N 1 ATOM 4131 C CA . PRO A 1 518 ? 3.212 -21.787 -7.377 1.00 59.54 ? 536 PRO B CA 1 ATOM 4132 C C . PRO A 1 518 ? 2.463 -22.183 -8.645 1.00 60.91 ? 536 PRO B C 1 ATOM 4133 O O . PRO A 1 518 ? 2.626 -23.302 -9.133 1.00 60.40 ? 536 PRO B O 1 ATOM 4134 C CB . PRO A 1 518 ? 2.707 -22.605 -6.194 1.00 58.91 ? 536 PRO B CB 1 ATOM 4135 C CG . PRO A 1 518 ? 1.496 -21.834 -5.756 1.00 55.37 ? 536 PRO B CG 1 ATOM 4136 C CD . PRO A 1 518 ? 1.802 -20.364 -6.018 1.00 53.31 ? 536 PRO B CD 1 ATOM 4137 N N . SER A 1 519 ? 1.631 -21.276 -9.150 1.00 60.92 ? 537 SER B N 1 ATOM 4138 C CA . SER A 1 519 ? 0.848 -21.529 -10.348 1.00 61.94 ? 537 SER B CA 1 ATOM 4139 C C . SER A 1 519 ? 0.499 -20.197 -10.993 1.00 58.78 ? 537 SER B C 1 ATOM 4140 O O . SER A 1 519 ? 0.486 -19.151 -10.339 1.00 57.49 ? 537 SER B O 1 ATOM 4141 C CB . SER A 1 519 ? -0.424 -22.331 -10.040 1.00 64.62 ? 537 SER B CB 1 ATOM 4142 O OG . SER A 1 519 ? -1.340 -21.578 -9.263 1.00 66.60 ? 537 SER B OG 1 ATOM 4143 N N . SER A 1 520 ? 0.225 -20.247 -12.293 1.00 58.24 ? 538 SER B N 1 ATOM 4144 C CA . SER A 1 520 ? -0.153 -19.055 -13.035 1.00 54.86 ? 538 SER B CA 1 ATOM 4145 C C . SER A 1 520 ? -1.104 -19.454 -14.150 1.00 56.06 ? 538 SER B C 1 ATOM 4146 O O . SER A 1 520 ? -1.301 -20.635 -14.434 1.00 60.74 ? 538 SER B O 1 ATOM 4147 C CB . SER A 1 520 ? 1.072 -18.330 -13.596 1.00 55.48 ? 538 SER B CB 1 ATOM 4148 O OG . SER A 1 520 ? 1.842 -17.781 -12.546 1.00 54.89 ? 538 SER B OG 1 ATOM 4149 N N . ARG A 1 521 ? -1.716 -18.453 -14.766 1.00 54.37 ? 539 ARG B N 1 ATOM 4150 C CA . ARG A 1 521 ? -2.608 -18.666 -15.893 1.00 50.88 ? 539 ARG B CA 1 ATOM 4151 C C . ARG A 1 521 ? -2.233 -17.680 -16.981 1.00 55.99 ? 539 ARG B C 1 ATOM 4152 O O . ARG A 1 521 ? -1.973 -16.505 -16.700 1.00 59.29 ? 539 ARG B O 1 ATOM 4153 C CB . ARG A 1 521 ? -4.078 -18.490 -15.501 1.00 44.18 ? 539 ARG B CB 1 ATOM 4154 C CG . ARG A 1 521 ? -4.488 -19.286 -14.279 1.00 43.40 ? 539 ARG B CG 1 ATOM 4155 C CD . ARG A 1 521 ? -5.975 -19.189 -14.025 1.00 44.51 ? 539 ARG B CD 1 ATOM 4156 N NE . ARG A 1 521 ? -6.656 -20.375 -14.516 1.00 50.54 ? 539 ARG B NE 1 ATOM 4157 C CZ . ARG A 1 521 ? -6.786 -21.496 -13.819 1.00 54.82 ? 539 ARG B CZ 1 ATOM 4158 N NH1 . ARG A 1 521 ? -6.286 -21.576 -12.596 1.00 58.05 ? 539 ARG B NH1 1 ATOM 4159 N NH2 . ARG A 1 521 ? -7.416 -22.535 -14.345 1.00 57.94 ? 539 ARG B NH2 1 ATOM 4160 N N . LEU A 1 522 ? -2.185 -18.165 -18.217 1.00 55.56 ? 540 LEU B N 1 ATOM 4161 C CA . LEU A 1 522 ? -1.828 -17.342 -19.362 1.00 55.32 ? 540 LEU B CA 1 ATOM 4162 C C . LEU A 1 522 ? -3.012 -17.269 -20.310 1.00 57.06 ? 540 LEU B C 1 ATOM 4163 O O . LEU A 1 522 ? -3.580 -18.302 -20.682 1.00 58.60 ? 540 LEU B O 1 ATOM 4164 C CB . LEU A 1 522 ? -0.603 -17.900 -20.085 1.00 61.69 ? 540 LEU B CB 1 ATOM 4165 C CG . LEU A 1 522 ? -0.196 -17.158 -21.357 1.00 68.04 ? 540 LEU B CG 1 ATOM 4166 C CD1 . LEU A 1 522 ? -0.011 -15.671 -21.086 1.00 68.12 ? 540 LEU B CD1 1 ATOM 4167 C CD2 . LEU A 1 522 ? 1.074 -17.756 -21.916 1.00 72.70 ? 540 LEU B CD2 1 ATOM 4168 N N . LEU A 1 523 ? -3.385 -16.052 -20.692 1.00 55.95 ? 541 LEU B N 1 ATOM 4169 C CA . LEU A 1 523 ? -4.442 -15.829 -21.667 1.00 53.77 ? 541 LEU B CA 1 ATOM 4170 C C . LEU A 1 523 ? -3.841 -15.092 -22.852 1.00 55.38 ? 541 LEU B C 1 ATOM 4171 O O . LEU A 1 523 ? -3.247 -14.023 -22.684 1.00 55.43 ? 541 LEU B O 1 ATOM 4172 C CB . LEU A 1 523 ? -5.602 -15.041 -21.055 1.00 53.09 ? 541 LEU B CB 1 ATOM 4173 C CG . LEU A 1 523 ? -6.822 -14.760 -21.938 1.00 54.44 ? 541 LEU B CG 1 ATOM 4174 C CD1 . LEU A 1 523 ? -8.097 -14.828 -21.116 1.00 51.24 ? 541 LEU B CD1 1 ATOM 4175 C CD2 . LEU A 1 523 ? -6.714 -13.402 -22.614 1.00 58.39 ? 541 LEU B CD2 1 ATOM 4176 N N . VAL A 1 524 ? -3.979 -15.670 -24.040 1.00 59.00 ? 542 VAL B N 1 ATOM 4177 C CA . VAL A 1 524 ? -3.494 -15.075 -25.278 1.00 56.81 ? 542 VAL B CA 1 ATOM 4178 C C . VAL A 1 524 ? -4.685 -14.884 -26.204 1.00 56.29 ? 542 VAL B C 1 ATOM 4179 O O . VAL A 1 524 ? -5.550 -15.761 -26.301 1.00 56.67 ? 542 VAL B O 1 ATOM 4180 C CB . VAL A 1 524 ? -2.416 -15.951 -25.950 1.00 56.65 ? 542 VAL B CB 1 ATOM 4181 C CG1 . VAL A 1 524 ? -1.849 -15.253 -27.173 1.00 59.80 ? 542 VAL B CG1 1 ATOM 4182 C CG2 . VAL A 1 524 ? -1.315 -16.275 -24.967 1.00 55.76 ? 542 VAL B CG2 1 ATOM 4183 N N . TYR A 1 525 ? -4.733 -13.739 -26.880 1.00 56.17 ? 543 TYR B N 1 ATOM 4184 C CA . TYR A 1 525 ? -5.830 -13.467 -27.792 1.00 57.66 ? 543 TYR B CA 1 ATOM 4185 C C . TYR A 1 525 ? -5.363 -12.572 -28.930 1.00 63.50 ? 543 TYR B C 1 ATOM 4186 O O . TYR A 1 525 ? -4.409 -11.800 -28.790 1.00 65.81 ? 543 TYR B O 1 ATOM 4187 C CB . TYR A 1 525 ? -7.012 -12.816 -27.070 1.00 53.24 ? 543 TYR B CB 1 ATOM 4188 C CG . TYR A 1 525 ? -6.783 -11.396 -26.599 1.00 55.65 ? 543 TYR B CG 1 ATOM 4189 C CD1 . TYR A 1 525 ? -6.144 -11.136 -25.391 1.00 59.08 ? 543 TYR B CD1 1 ATOM 4190 C CD2 . TYR A 1 525 ? -7.242 -10.316 -27.344 1.00 52.74 ? 543 TYR B CD2 1 ATOM 4191 C CE1 . TYR A 1 525 ? -5.951 -9.838 -24.948 1.00 57.70 ? 543 TYR B CE1 1 ATOM 4192 C CE2 . TYR A 1 525 ? -7.053 -9.017 -26.910 1.00 54.02 ? 543 TYR B CE2 1 ATOM 4193 C CZ . TYR A 1 525 ? -6.407 -8.783 -25.713 1.00 55.99 ? 543 TYR B CZ 1 ATOM 4194 O OH . TYR A 1 525 ? -6.219 -7.491 -25.276 1.00 55.51 ? 543 TYR B OH 1 ATOM 4195 N N . TYR A 1 526 ? -6.056 -12.689 -30.061 1.00 60.96 ? 544 TYR B N 1 ATOM 4196 C CA . TYR A 1 526 ? -5.898 -11.779 -31.182 1.00 58.15 ? 544 TYR B CA 1 ATOM 4197 C C . TYR A 1 526 ? -7.267 -11.247 -31.578 1.00 71.24 ? 544 TYR B C 1 ATOM 4198 O O . TYR A 1 526 ? -8.301 -11.821 -31.230 1.00 72.04 ? 544 TYR B O 1 ATOM 4199 C CB . TYR A 1 526 ? -5.208 -12.455 -32.376 1.00 60.31 ? 544 TYR B CB 1 ATOM 4200 C CG . TYR A 1 526 ? -5.954 -13.626 -32.984 1.00 60.46 ? 544 TYR B CG 1 ATOM 4201 C CD1 . TYR A 1 526 ? -6.885 -13.432 -33.998 1.00 63.27 ? 544 TYR B CD1 1 ATOM 4202 C CD2 . TYR A 1 526 ? -5.701 -14.927 -32.568 1.00 60.35 ? 544 TYR B CD2 1 ATOM 4203 C CE1 . TYR A 1 526 ? -7.556 -14.498 -34.568 1.00 61.24 ? 544 TYR B CE1 1 ATOM 4204 C CE2 . TYR A 1 526 ? -6.367 -15.998 -33.130 1.00 71.43 ? 544 TYR B CE2 1 ATOM 4205 C CZ . TYR A 1 526 ? -7.292 -15.779 -34.132 1.00 70.59 ? 544 TYR B CZ 1 ATOM 4206 O OH . TYR A 1 526 ? -7.955 -16.846 -34.695 1.00 61.66 ? 544 TYR B OH 1 ATOM 4207 N N . ILE A 1 527 ? -7.269 -10.139 -32.313 1.00 69.93 ? 545 ILE B N 1 ATOM 4208 C CA . ILE A 1 527 ? -8.496 -9.425 -32.649 1.00 65.32 ? 545 ILE B CA 1 ATOM 4209 C C . ILE A 1 527 ? -8.788 -9.617 -34.129 1.00 69.95 ? 545 ILE B C 1 ATOM 4210 O O . ILE A 1 527 ? -7.973 -9.257 -34.988 1.00 70.97 ? 545 ILE B O 1 ATOM 4211 C CB . ILE A 1 527 ? -8.403 -7.933 -32.301 1.00 64.80 ? 545 ILE B CB 1 ATOM 4212 C CG1 . ILE A 1 527 ? -8.152 -7.759 -30.808 1.00 65.50 ? 545 ILE B CG1 1 ATOM 4213 C CG2 . ILE A 1 527 ? -9.679 -7.206 -32.712 1.00 62.80 ? 545 ILE B CG2 1 ATOM 4214 C CD1 . ILE A 1 527 ? -8.330 -6.345 -30.339 1.00 68.05 ? 545 ILE B CD1 1 ATOM 4215 N N . VAL A 1 528 ? -9.951 -10.182 -34.422 1.00 70.27 ? 546 VAL B N 1 ATOM 4216 C CA . VAL A 1 528 ? -10.475 -10.233 -35.777 1.00 69.04 ? 546 VAL B CA 1 ATOM 4217 C C . VAL A 1 528 ? -11.378 -9.026 -35.968 1.00 72.21 ? 546 VAL B C 1 ATOM 4218 O O . VAL A 1 528 ? -12.301 -8.795 -35.177 1.00 66.48 ? 546 VAL B O 1 ATOM 4219 C CB . VAL A 1 528 ? -11.230 -11.547 -36.029 1.00 64.81 ? 546 VAL B CB 1 ATOM 4220 C CG1 . VAL A 1 528 ? -11.997 -11.475 -37.338 1.00 61.21 ? 546 VAL B CG1 1 ATOM 4221 C CG2 . VAL A 1 528 ? -10.255 -12.710 -36.041 1.00 62.02 ? 546 VAL B CG2 1 ATOM 4222 N N . THR A 1 529 ? -11.103 -8.247 -37.008 1.00 79.74 ? 547 THR B N 1 ATOM 4223 C CA . THR A 1 529 ? -11.753 -6.965 -37.208 1.00 84.47 ? 547 THR B CA 1 ATOM 4224 C C . THR A 1 529 ? -12.364 -6.915 -38.603 1.00 94.11 ? 547 THR B C 1 ATOM 4225 O O . THR A 1 529 ? -12.333 -7.891 -39.358 1.00 91.77 ? 547 THR B O 1 ATOM 4226 C CB . THR A 1 529 ? -10.761 -5.816 -36.995 1.00 85.35 ? 547 THR B CB 1 ATOM 4227 O OG1 . THR A 1 529 ? -11.324 -4.601 -37.498 1.00 94.21 ? 547 THR B OG1 1 ATOM 4228 C CG2 . THR A 1 529 ? -9.442 -6.109 -37.709 1.00 81.54 ? 547 THR B CG2 1 ATOM 4229 N N . GLY A 1 530 ? -12.928 -5.758 -38.940 1.00 108.92 ? 548 GLY B N 1 ATOM 4230 C CA . GLY A 1 530 ? -13.595 -5.568 -40.211 1.00 124.25 ? 548 GLY B CA 1 ATOM 4231 C C . GLY A 1 530 ? -14.959 -4.933 -40.047 1.00 136.39 ? 548 GLY B C 1 ATOM 4232 O O . GLY A 1 530 ? -15.097 -3.911 -39.368 1.00 134.51 ? 548 GLY B O 1 ATOM 4233 N N . GLU A 1 531 ? -15.976 -5.526 -40.663 1.00 148.58 ? 549 GLU B N 1 ATOM 4234 C CA . GLU A 1 531 ? -17.344 -5.065 -40.492 1.00 157.55 ? 549 GLU B CA 1 ATOM 4235 C C . GLU A 1 531 ? -18.011 -5.882 -39.386 1.00 156.13 ? 549 GLU B C 1 ATOM 4236 O O . GLU A 1 531 ? -17.357 -6.646 -38.669 1.00 157.97 ? 549 GLU B O 1 ATOM 4237 C CB . GLU A 1 531 ? -18.098 -5.138 -41.820 1.00 163.92 ? 549 GLU B CB 1 ATOM 4238 C CG . GLU A 1 531 ? -17.629 -4.117 -42.856 1.00 171.39 ? 549 GLU B CG 1 ATOM 4239 C CD . GLU A 1 531 ? -18.458 -2.841 -42.856 1.00 174.32 ? 549 GLU B CD 1 ATOM 4240 O OE1 . GLU A 1 531 ? -19.495 -2.805 -43.553 1.00 175.08 ? 549 GLU B OE1 1 ATOM 4241 O OE2 . GLU A 1 531 ? -18.075 -1.875 -42.161 1.00 177.06 ? 549 GLU B OE2 1 ATOM 4242 N N . GLN A 1 532 ? -19.329 -5.727 -39.247 1.00 146.12 ? 550 GLN B N 1 ATOM 4243 C CA . GLN A 1 532 ? -20.099 -6.294 -38.144 1.00 131.50 ? 550 GLN B CA 1 ATOM 4244 C C . GLN A 1 532 ? -19.600 -5.750 -36.808 1.00 124.64 ? 550 GLN B C 1 ATOM 4245 O O . GLN A 1 532 ? -19.931 -4.618 -36.442 1.00 123.60 ? 550 GLN B O 1 ATOM 4246 C CB . GLN A 1 532 ? -20.065 -7.827 -38.180 1.00 121.10 ? 550 GLN B CB 1 ATOM 4247 C CG . GLN A 1 532 ? -21.422 -8.436 -38.506 1.00 112.52 ? 550 GLN B CG 1 ATOM 4248 C CD . GLN A 1 532 ? -21.439 -9.226 -39.803 1.00 106.39 ? 550 GLN B CD 1 ATOM 4249 O OE1 . GLN A 1 532 ? -20.426 -9.788 -40.219 1.00 105.59 ? 550 GLN B OE1 1 ATOM 4250 N NE2 . GLN A 1 532 ? -22.600 -9.272 -40.448 1.00 103.65 ? 550 GLN B NE2 1 ATOM 4251 N N . THR A 1 533 ? -18.815 -6.532 -36.068 1.00 117.78 ? 551 THR B N 1 ATOM 4252 C CA . THR A 1 533 ? -18.285 -6.074 -34.789 1.00 113.11 ? 551 THR B CA 1 ATOM 4253 C C . THR A 1 533 ? -16.988 -6.814 -34.502 1.00 108.48 ? 551 THR B C 1 ATOM 4254 O O . THR A 1 533 ? -16.854 -7.995 -34.834 1.00 115.20 ? 551 THR B O 1 ATOM 4255 C CB . THR A 1 533 ? -19.287 -6.289 -33.641 1.00 111.11 ? 551 THR B CB 1 ATOM 4256 O OG1 . THR A 1 533 ? -20.492 -5.561 -33.907 1.00 113.87 ? 551 THR B OG1 1 ATOM 4257 C CG2 . THR A 1 533 ? -18.715 -5.803 -32.318 1.00 109.20 ? 551 THR B CG2 1 ATOM 4258 N N . ALA A 1 534 ? -16.038 -6.104 -33.893 1.00 97.08 ? 552 ALA B N 1 ATOM 4259 C CA . ALA A 1 534 ? -14.757 -6.698 -33.540 1.00 83.42 ? 552 ALA B CA 1 ATOM 4260 C C . ALA A 1 534 ? -14.959 -7.950 -32.694 1.00 75.19 ? 552 ALA B C 1 ATOM 4261 O O . ALA A 1 534 ? -15.923 -8.066 -31.930 1.00 72.97 ? 552 ALA B O 1 ATOM 4262 C CB . ALA A 1 534 ? -13.894 -5.683 -32.792 1.00 76.93 ? 552 ALA B CB 1 ATOM 4263 N N . GLU A 1 535 ? -14.043 -8.901 -32.850 1.00 67.02 ? 553 GLU B N 1 ATOM 4264 C CA . GLU A 1 535 ? -14.119 -10.189 -32.178 1.00 61.46 ? 553 GLU B CA 1 ATOM 4265 C C . GLU A 1 535 ? -12.786 -10.478 -31.513 1.00 65.02 ? 553 GLU B C 1 ATOM 4266 O O . GLU A 1 535 ? -11.731 -10.291 -32.128 1.00 71.97 ? 553 GLU B O 1 ATOM 4267 C CB . GLU A 1 535 ? -14.464 -11.308 -33.164 1.00 54.71 ? 553 GLU B CB 1 ATOM 4268 C CG . GLU A 1 535 ? -14.375 -12.708 -32.580 1.00 57.13 ? 553 GLU B CG 1 ATOM 4269 C CD . GLU A 1 535 ? -14.617 -13.782 -33.619 1.00 64.42 ? 553 GLU B CD 1 ATOM 4270 O OE1 . GLU A 1 535 ? -15.003 -13.434 -34.756 1.00 63.81 ? 553 GLU B OE1 1 ATOM 4271 O OE2 . GLU A 1 535 ? -14.420 -14.973 -33.300 1.00 67.92 ? 553 GLU B OE2 1 ATOM 4272 N N . LEU A 1 536 ? -12.834 -10.933 -30.264 1.00 60.54 ? 554 LEU B N 1 ATOM 4273 C CA . LEU A 1 536 ? -11.646 -11.374 -29.547 1.00 57.43 ? 554 LEU B CA 1 ATOM 4274 C C . LEU A 1 536 ? -11.571 -12.894 -29.622 1.00 56.89 ? 554 LEU B C 1 ATOM 4275 O O . LEU A 1 536 ? -12.522 -13.585 -29.245 1.00 55.72 ? 554 LEU B O 1 ATOM 4276 C CB . LEU A 1 536 ? -11.677 -10.901 -28.095 1.00 56.12 ? 554 LEU B CB 1 ATOM 4277 C CG . LEU A 1 536 ? -11.903 -9.404 -27.884 1.00 54.58 ? 554 LEU B CG 1 ATOM 4278 C CD1 . LEU A 1 536 ? -11.911 -9.066 -26.401 1.00 49.01 ? 554 LEU B CD1 1 ATOM 4279 C CD2 . LEU A 1 536 ? -10.836 -8.618 -28.610 1.00 51.85 ? 554 LEU B CD2 1 ATOM 4280 N N . VAL A 1 537 ? -10.455 -13.408 -30.125 1.00 57.55 ? 555 VAL B N 1 ATOM 4281 C CA . VAL A 1 537 ? -10.214 -14.841 -30.240 1.00 57.78 ? 555 VAL B CA 1 ATOM 4282 C C . VAL A 1 537 ? -9.145 -15.181 -29.214 1.00 60.43 ? 555 VAL B C 1 ATOM 4283 O O . VAL A 1 537 ? -7.993 -14.746 -29.338 1.00 65.27 ? 555 VAL B O 1 ATOM 4284 C CB . VAL A 1 537 ? -9.789 -15.234 -31.661 1.00 55.93 ? 555 VAL B CB 1 ATOM 4285 C CG1 . VAL A 1 537 ? -9.743 -16.745 -31.814 1.00 56.51 ? 555 VAL B CG1 1 ATOM 4286 C CG2 . VAL A 1 537 ? -10.742 -14.630 -32.667 1.00 56.42 ? 555 VAL B CG2 1 ATOM 4287 N N . SER A 1 538 ? -9.521 -15.952 -28.196 1.00 57.60 ? 556 SER B N 1 ATOM 4288 C CA . SER A 1 538 ? -8.695 -16.121 -27.013 1.00 56.11 ? 556 SER B CA 1 ATOM 4289 C C . SER A 1 538 ? -8.551 -17.591 -26.651 1.00 53.94 ? 556 SER B C 1 ATOM 4290 O O . SER A 1 538 ? -9.360 -18.437 -27.037 1.00 51.61 ? 556 SER B O 1 ATOM 4291 C CB . SER A 1 538 ? -9.283 -15.355 -25.819 1.00 56.42 ? 556 SER B CB 1 ATOM 4292 O OG . SER A 1 538 ? -10.622 -15.751 -25.573 1.00 54.42 ? 556 SER B OG 1 ATOM 4293 N N . ASP A 1 539 ? -7.496 -17.874 -25.888 1.00 55.42 ? 557 ASP B N 1 ATOM 4294 C CA . ASP A 1 539 ? -7.266 -19.181 -25.291 1.00 58.72 ? 557 ASP B CA 1 ATOM 4295 C C . ASP A 1 539 ? -6.436 -18.974 -24.030 1.00 57.66 ? 557 ASP B C 1 ATOM 4296 O O . ASP A 1 539 ? -5.766 -17.951 -23.871 1.00 60.14 ? 557 ASP B O 1 ATOM 4297 C CB . ASP A 1 539 ? -6.568 -20.133 -26.270 1.00 62.44 ? 557 ASP B CB 1 ATOM 4298 C CG . ASP A 1 539 ? -6.620 -21.577 -25.817 1.00 68.76 ? 557 ASP B CG 1 ATOM 4299 O OD1 . ASP A 1 539 ? -7.615 -21.961 -25.168 1.00 70.76 ? 557 ASP B OD1 1 ATOM 4300 O OD2 . ASP A 1 539 ? -5.666 -22.329 -26.110 1.00 73.20 ? 557 ASP B OD2 1 ATOM 4301 N N . SER A 1 540 ? -6.496 -19.943 -23.120 1.00 54.24 ? 558 SER B N 1 ATOM 4302 C CA . SER A 1 540 ? -5.790 -19.823 -21.853 1.00 56.03 ? 558 SER B CA 1 ATOM 4303 C C . SER A 1 540 ? -5.255 -21.182 -21.430 1.00 58.90 ? 558 SER B C 1 ATOM 4304 O O . SER A 1 540 ? -5.807 -22.224 -21.788 1.00 63.90 ? 558 SER B O 1 ATOM 4305 C CB . SER A 1 540 ? -6.691 -19.261 -20.749 1.00 54.41 ? 558 SER B CB 1 ATOM 4306 O OG . SER A 1 540 ? -7.677 -20.207 -20.382 1.00 56.19 ? 558 SER B OG 1 ATOM 4307 N N . VAL A 1 541 ? -4.169 -21.156 -20.659 1.00 56.23 ? 559 VAL B N 1 ATOM 4308 C CA . VAL A 1 541 ? -3.523 -22.366 -20.169 1.00 59.00 ? 559 VAL B CA 1 ATOM 4309 C C . VAL A 1 541 ? -3.113 -22.151 -18.720 1.00 61.60 ? 559 VAL B C 1 ATOM 4310 O O . VAL A 1 541 ? -2.852 -21.022 -18.287 1.00 61.01 ? 559 VAL B O 1 ATOM 4311 C CB . VAL A 1 541 ? -2.292 -22.764 -21.016 1.00 60.25 ? 559 VAL B CB 1 ATOM 4312 C CG1 . VAL A 1 541 ? -2.702 -23.189 -22.425 1.00 63.63 ? 559 VAL B CG1 1 ATOM 4313 C CG2 . VAL A 1 541 ? -1.281 -21.625 -21.061 1.00 52.84 ? 559 VAL B CG2 1 ATOM 4314 N N . TRP A 1 542 ? -3.054 -23.252 -17.973 1.00 61.72 ? 560 TRP B N 1 ATOM 4315 C CA . TRP A 1 542 ? -2.659 -23.244 -16.570 1.00 60.18 ? 560 TRP B CA 1 ATOM 4316 C C . TRP A 1 542 ? -1.220 -23.738 -16.454 1.00 61.08 ? 560 TRP B C 1 ATOM 4317 O O . TRP A 1 542 ? -0.895 -24.834 -16.923 1.00 61.72 ? 560 TRP B O 1 ATOM 4318 C CB . TRP A 1 542 ? -3.602 -24.112 -15.737 1.00 59.85 ? 560 TRP B CB 1 ATOM 4319 C CG . TRP A 1 542 ? -3.312 -24.099 -14.265 1.00 65.64 ? 560 TRP B CG 1 ATOM 4320 C CD1 . TRP A 1 542 ? -3.527 -23.068 -13.394 1.00 63.17 ? 560 TRP B CD1 1 ATOM 4321 C CD2 . TRP A 1 542 ? -2.772 -25.173 -13.486 1.00 70.09 ? 560 TRP B CD2 1 ATOM 4322 N NE1 . TRP A 1 542 ? -3.145 -23.432 -12.126 1.00 62.98 ? 560 TRP B NE1 1 ATOM 4323 C CE2 . TRP A 1 542 ? -2.679 -24.719 -12.155 1.00 66.79 ? 560 TRP B CE2 1 ATOM 4324 C CE3 . TRP A 1 542 ? -2.354 -26.474 -13.786 1.00 72.04 ? 560 TRP B CE3 1 ATOM 4325 C CZ2 . TRP A 1 542 ? -2.186 -25.519 -11.127 1.00 67.92 ? 560 TRP B CZ2 1 ATOM 4326 C CZ3 . TRP A 1 542 ? -1.866 -27.264 -12.765 1.00 71.47 ? 560 TRP B CZ3 1 ATOM 4327 C CH2 . TRP A 1 542 ? -1.786 -26.785 -11.452 1.00 70.90 ? 560 TRP B CH2 1 ATOM 4328 N N . LEU A 1 543 ? -0.369 -22.932 -15.830 1.00 61.72 ? 561 LEU B N 1 ATOM 4329 C CA . LEU A 1 543 ? 1.054 -23.214 -15.683 1.00 63.44 ? 561 LEU B CA 1 ATOM 4330 C C . LEU A 1 543 ? 1.323 -23.621 -14.239 1.00 67.77 ? 561 LEU B C 1 ATOM 4331 O O . LEU A 1 543 ? 1.247 -22.787 -13.327 1.00 66.26 ? 561 LEU B O 1 ATOM 4332 C CB . LEU A 1 543 ? 1.887 -21.993 -16.067 1.00 60.50 ? 561 LEU B CB 1 ATOM 4333 C CG . LEU A 1 543 ? 1.490 -21.275 -17.358 1.00 59.84 ? 561 LEU B CG 1 ATOM 4334 C CD1 . LEU A 1 543 ? 2.184 -19.934 -17.452 1.00 52.45 ? 561 LEU B CD1 1 ATOM 4335 C CD2 . LEU A 1 543 ? 1.830 -22.121 -18.565 1.00 63.05 ? 561 LEU B CD2 1 ATOM 4336 N N . ASN A 1 544 ? 1.635 -24.898 -14.033 1.00 71.85 ? 562 ASN B N 1 ATOM 4337 C CA . ASN A 1 544 ? 2.043 -25.391 -12.725 1.00 73.66 ? 562 ASN B CA 1 ATOM 4338 C C . ASN A 1 544 ? 3.546 -25.193 -12.578 1.00 76.09 ? 562 ASN B C 1 ATOM 4339 O O . ASN A 1 544 ? 4.330 -25.738 -13.363 1.00 77.01 ? 562 ASN B O 1 ATOM 4340 C CB . ASN A 1 544 ? 1.670 -26.861 -12.553 1.00 78.99 ? 562 ASN B CB 1 ATOM 4341 C CG . ASN A 1 544 ? 1.692 -27.295 -11.103 1.00 86.37 ? 562 ASN B CG 1 ATOM 4342 O OD1 . ASN A 1 544 ? 2.339 -26.667 -10.264 1.00 88.42 ? 562 ASN B OD1 1 ATOM 4343 N ND2 . ASN A 1 544 ? 0.979 -28.371 -10.798 1.00 90.25 ? 562 ASN B ND2 1 ATOM 4344 N N . ILE A 1 545 ? 3.943 -24.420 -11.570 1.00 77.52 ? 563 ILE B N 1 ATOM 4345 C CA . ILE A 1 545 ? 5.327 -24.006 -11.384 1.00 79.13 ? 563 ILE B CA 1 ATOM 4346 C C . ILE A 1 545 ? 5.820 -24.507 -10.034 1.00 76.17 ? 563 ILE B C 1 ATOM 4347 O O . ILE A 1 545 ? 5.047 -24.629 -9.077 1.00 71.33 ? 563 ILE B O 1 ATOM 4348 C CB . ILE A 1 545 ? 5.450 -22.471 -11.512 1.00 77.62 ? 563 ILE B CB 1 ATOM 4349 C CG1 . ILE A 1 545 ? 5.082 -22.059 -12.936 1.00 81.11 ? 563 ILE B CG1 1 ATOM 4350 C CG2 . ILE A 1 545 ? 6.849 -21.985 -11.162 1.00 75.68 ? 563 ILE B CG2 1 ATOM 4351 C CD1 . ILE A 1 545 ? 4.600 -20.655 -13.057 1.00 82.29 ? 563 ILE B CD1 1 ATOM 4352 N N . GLU A 1 546 ? 7.117 -24.823 -9.973 1.00 78.93 ? 564 GLU B N 1 ATOM 4353 C CA . GLU A 1 546 ? 7.715 -25.384 -8.768 1.00 81.16 ? 564 GLU B CA 1 ATOM 4354 C C . GLU A 1 546 ? 7.446 -24.495 -7.562 1.00 81.67 ? 564 GLU B C 1 ATOM 4355 O O . GLU A 1 546 ? 7.477 -23.265 -7.654 1.00 79.41 ? 564 GLU B O 1 ATOM 4356 C CB . GLU A 1 546 ? 9.225 -25.568 -8.959 1.00 83.31 ? 564 GLU B CB 1 ATOM 4357 C CG . GLU A 1 546 ? 10.002 -24.268 -9.159 1.00 85.07 ? 564 GLU B CG 1 ATOM 4358 C CD . GLU A 1 546 ? 11.505 -24.459 -9.060 1.00 89.33 ? 564 GLU B CD 1 ATOM 4359 O OE1 . GLU A 1 546 ? 12.255 -23.666 -9.669 1.00 91.81 ? 564 GLU B OE1 1 ATOM 4360 O OE2 . GLU A 1 546 ? 11.939 -25.404 -8.371 1.00 91.07 ? 564 GLU B OE2 1 ATOM 4361 N N . GLU A 1 547 ? 7.165 -25.135 -6.429 1.00 86.45 ? 565 GLU B N 1 ATOM 4362 C CA . GLU A 1 547 ? 6.856 -24.434 -5.185 1.00 88.63 ? 565 GLU B CA 1 ATOM 4363 C C . GLU A 1 547 ? 8.167 -24.015 -4.539 1.00 85.13 ? 565 GLU B C 1 ATOM 4364 O O . GLU A 1 547 ? 8.814 -24.802 -3.846 1.00 92.96 ? 565 GLU B O 1 ATOM 4365 C CB . GLU A 1 547 ? 6.037 -25.323 -4.258 1.00 93.77 ? 565 GLU B CB 1 ATOM 4366 C CG . GLU A 1 547 ? 4.859 -25.992 -4.941 1.00 102.46 ? 565 GLU B CG 1 ATOM 4367 C CD . GLU A 1 547 ? 4.168 -27.003 -4.051 1.00 110.47 ? 565 GLU B CD 1 ATOM 4368 O OE1 . GLU A 1 547 ? 4.137 -26.794 -2.820 1.00 113.22 ? 565 GLU B OE1 1 ATOM 4369 O OE2 . GLU A 1 547 ? 3.661 -28.013 -4.584 1.00 114.70 ? 565 GLU B OE2 1 ATOM 4370 N N . LYS A 1 548 ? 8.566 -22.771 -4.771 1.00 79.02 ? 566 LYS B N 1 ATOM 4371 C CA . LYS A 1 548 ? 9.842 -22.250 -4.311 1.00 74.23 ? 566 LYS B CA 1 ATOM 4372 C C . LYS A 1 548 ? 9.590 -21.031 -3.440 1.00 73.47 ? 566 LYS B C 1 ATOM 4373 O O . LYS A 1 548 ? 8.875 -20.110 -3.848 1.00 77.43 ? 566 LYS B O 1 ATOM 4374 C CB . LYS A 1 548 ? 10.743 -21.898 -5.499 1.00 72.46 ? 566 LYS B CB 1 ATOM 4375 C CG . LYS A 1 548 ? 12.090 -21.301 -5.126 1.00 73.51 ? 566 LYS B CG 1 ATOM 4376 C CD . LYS A 1 548 ? 13.168 -21.742 -6.105 1.00 76.28 ? 566 LYS B CD 1 ATOM 4377 C CE . LYS A 1 548 ? 14.382 -20.827 -6.057 1.00 78.69 ? 566 LYS B CE 1 ATOM 4378 N NZ . LYS A 1 548 ? 14.065 -19.460 -6.559 1.00 75.99 ? 566 LYS B NZ 1 ATOM 4379 N N . CYS A 1 549 ? 10.165 -21.034 -2.242 1.00 70.92 ? 567 CYS B N 1 ATOM 4380 C CA . CYS A 1 549 ? 10.003 -19.908 -1.335 1.00 68.30 ? 567 CYS B CA 1 ATOM 4381 C C . CYS A 1 549 ? 10.710 -18.674 -1.875 1.00 65.10 ? 567 CYS B C 1 ATOM 4382 O O . CYS A 1 549 ? 11.781 -18.766 -2.479 1.00 67.77 ? 567 CYS B O 1 ATOM 4383 C CB . CYS A 1 549 ? 10.561 -20.246 0.044 1.00 72.41 ? 567 CYS B CB 1 ATOM 4384 S SG . CYS A 1 549 ? 9.652 -21.485 0.977 1.00 75.08 ? 567 CYS B SG 1 ATOM 4385 N N . GLY A 1 550 ? 10.110 -17.508 -1.637 1.00 63.65 ? 568 GLY B N 1 ATOM 4386 C CA . GLY A 1 550 ? 10.794 -16.268 -1.961 1.00 67.19 ? 568 GLY B CA 1 ATOM 4387 C C . GLY A 1 550 ? 11.991 -16.020 -1.064 1.00 71.65 ? 568 GLY B C 1 ATOM 4388 O O . GLY A 1 550 ? 13.014 -15.490 -1.508 1.00 79.43 ? 568 GLY B O 1 ATOM 4389 N N . ASN A 1 551 ? 11.882 -16.396 0.210 1.00 69.17 ? 569 ASN B N 1 ATOM 4390 C CA . ASN A 1 551 ? 12.974 -16.294 1.178 1.00 67.33 ? 569 ASN B CA 1 ATOM 4391 C C . ASN A 1 551 ? 13.113 -17.675 1.811 1.00 68.89 ? 569 ASN B C 1 ATOM 4392 O O . ASN A 1 551 ? 12.448 -17.984 2.802 1.00 70.96 ? 569 ASN B O 1 ATOM 4393 C CB . ASN A 1 551 ? 12.701 -15.213 2.210 1.00 64.39 ? 569 ASN B CB 1 ATOM 4394 C CG . ASN A 1 551 ? 13.914 -14.896 3.048 1.00 68.27 ? 569 ASN B CG 1 ATOM 4395 O OD1 . ASN A 1 551 ? 14.965 -15.516 2.895 1.00 76.03 ? 569 ASN B OD1 1 ATOM 4396 N ND2 . ASN A 1 551 ? 13.785 -13.912 3.928 1.00 64.50 ? 569 ASN B ND2 1 ATOM 4397 N N . GLN A 1 552 ? 13.983 -18.498 1.232 1.00 70.32 ? 570 GLN B N 1 ATOM 4398 C CA . GLN A 1 552 ? 14.032 -19.911 1.579 1.00 69.69 ? 570 GLN B CA 1 ATOM 4399 C C . GLN A 1 552 ? 14.628 -20.110 2.968 1.00 67.40 ? 570 GLN B C 1 ATOM 4400 O O . GLN A 1 552 ? 15.669 -19.535 3.297 1.00 67.84 ? 570 GLN B O 1 ATOM 4401 C CB . GLN A 1 552 ? 14.846 -20.669 0.536 1.00 75.49 ? 570 GLN B CB 1 ATOM 4402 C CG . GLN A 1 552 ? 14.514 -22.139 0.428 1.00 81.32 ? 570 GLN B CG 1 ATOM 4403 C CD . GLN A 1 552 ? 15.046 -22.743 -0.852 1.00 88.38 ? 570 GLN B CD 1 ATOM 4404 O OE1 . GLN A 1 552 ? 15.521 -22.029 -1.735 1.00 89.18 ? 570 GLN B OE1 1 ATOM 4405 N NE2 . GLN A 1 552 ? 14.970 -24.064 -0.961 1.00 93.59 ? 570 GLN B NE2 1 ATOM 4406 N N . LEU A 1 553 ? 13.964 -20.929 3.781 1.00 65.07 ? 571 LEU B N 1 ATOM 4407 C CA . LEU A 1 553 ? 14.404 -21.238 5.135 1.00 61.96 ? 571 LEU B CA 1 ATOM 4408 C C . LEU A 1 553 ? 14.939 -22.662 5.197 1.00 61.65 ? 571 LEU B C 1 ATOM 4409 O O . LEU A 1 553 ? 14.379 -23.574 4.579 1.00 61.91 ? 571 LEU B O 1 ATOM 4410 C CB . LEU A 1 553 ? 13.258 -21.072 6.140 1.00 56.08 ? 571 LEU B CB 1 ATOM 4411 C CG . LEU A 1 553 ? 13.499 -21.545 7.580 1.00 55.41 ? 571 LEU B CG 1 ATOM 4412 C CD1 . LEU A 1 553 ? 14.664 -20.812 8.213 1.00 52.81 ? 571 LEU B CD1 1 ATOM 4413 C CD2 . LEU A 1 553 ? 12.243 -21.383 8.424 1.00 54.92 ? 571 LEU B CD2 1 ATOM 4414 N N . GLN A 1 554 ? 16.018 -22.848 5.955 1.00 55.92 ? 572 GLN B N 1 ATOM 4415 C CA . GLN A 1 554 ? 16.624 -24.162 6.110 1.00 58.83 ? 572 GLN B CA 1 ATOM 4416 C C . GLN A 1 554 ? 17.194 -24.281 7.517 1.00 61.86 ? 572 GLN B C 1 ATOM 4417 O O . GLN A 1 554 ? 17.945 -23.404 7.955 1.00 64.26 ? 572 GLN B O 1 ATOM 4418 C CB . GLN A 1 554 ? 17.715 -24.373 5.058 1.00 64.68 ? 572 GLN B CB 1 ATOM 4419 C CG . GLN A 1 554 ? 17.911 -25.811 4.633 1.00 75.01 ? 572 GLN B CG 1 ATOM 4420 C CD . GLN A 1 554 ? 18.732 -25.923 3.364 1.00 85.92 ? 572 GLN B CD 1 ATOM 4421 O OE1 . GLN A 1 554 ? 18.908 -24.943 2.638 1.00 90.14 ? 572 GLN B OE1 1 ATOM 4422 N NE2 . GLN A 1 554 ? 19.240 -27.119 3.091 1.00 87.50 ? 572 GLN B NE2 1 ATOM 4423 N N . VAL A 1 555 ? 16.836 -25.357 8.220 1.00 61.64 ? 573 VAL B N 1 ATOM 4424 C CA . VAL A 1 555 ? 17.307 -25.612 9.578 1.00 62.85 ? 573 VAL B CA 1 ATOM 4425 C C . VAL A 1 555 ? 18.068 -26.931 9.603 1.00 65.26 ? 573 VAL B C 1 ATOM 4426 O O . VAL A 1 555 ? 17.667 -27.903 8.953 1.00 64.27 ? 573 VAL B O 1 ATOM 4427 C CB . VAL A 1 555 ? 16.147 -25.636 10.594 1.00 59.54 ? 573 VAL B CB 1 ATOM 4428 C CG1 . VAL A 1 555 ? 15.542 -24.255 10.734 1.00 59.38 ? 573 VAL B CG1 1 ATOM 4429 C CG2 . VAL A 1 555 ? 15.084 -26.628 10.165 1.00 55.94 ? 573 VAL B CG2 1 ATOM 4430 N N . HIS A 1 556 ? 19.166 -26.962 10.358 1.00 71.27 ? 574 HIS B N 1 ATOM 4431 C CA . HIS A 1 556 ? 20.003 -28.149 10.468 1.00 77.59 ? 574 HIS B CA 1 ATOM 4432 C C . HIS A 1 556 ? 20.443 -28.332 11.914 1.00 79.10 ? 574 HIS B C 1 ATOM 4433 O O . HIS A 1 556 ? 20.466 -27.384 12.702 1.00 77.83 ? 574 HIS B O 1 ATOM 4434 C CB . HIS A 1 556 ? 21.233 -28.058 9.559 1.00 89.46 ? 574 HIS B CB 1 ATOM 4435 C CG . HIS A 1 556 ? 20.899 -27.861 8.117 1.00 101.65 ? 574 HIS B CG 1 ATOM 4436 N ND1 . HIS A 1 556 ? 20.180 -28.784 7.389 1.00 105.19 ? 574 HIS B ND1 1 ATOM 4437 C CD2 . HIS A 1 556 ? 21.178 -26.845 7.266 1.00 107.04 ? 574 HIS B CD2 1 ATOM 4438 C CE1 . HIS A 1 556 ? 20.033 -28.347 6.151 1.00 107.95 ? 574 HIS B CE1 1 ATOM 4439 N NE2 . HIS A 1 556 ? 20.630 -27.173 6.050 1.00 109.27 ? 574 HIS B NE2 1 ATOM 4440 N N . LEU A 1 557 ? 20.807 -29.567 12.255 1.00 77.95 ? 575 LEU B N 1 ATOM 4441 C CA . LEU A 1 557 ? 21.274 -29.905 13.594 1.00 72.41 ? 575 LEU B CA 1 ATOM 4442 C C . LEU A 1 557 ? 22.725 -30.349 13.531 1.00 76.46 ? 575 LEU B C 1 ATOM 4443 O O . LEU A 1 557 ? 23.056 -31.301 12.817 1.00 80.08 ? 575 LEU B O 1 ATOM 4444 C CB . LEU A 1 557 ? 20.415 -31.001 14.221 1.00 68.57 ? 575 LEU B CB 1 ATOM 4445 C CG . LEU A 1 557 ? 19.284 -30.502 15.114 1.00 66.95 ? 575 LEU B CG 1 ATOM 4446 C CD1 . LEU A 1 557 ? 18.613 -31.676 15.787 1.00 58.53 ? 575 LEU B CD1 1 ATOM 4447 C CD2 . LEU A 1 557 ? 19.822 -29.522 16.142 1.00 59.81 ? 575 LEU B CD2 1 ATOM 4448 N N . SER A 1 558 ? 23.582 -29.664 14.279 1.00 77.82 ? 576 SER B N 1 ATOM 4449 C CA . SER A 1 558 ? 24.969 -30.071 14.432 1.00 83.77 ? 576 SER B CA 1 ATOM 4450 C C . SER A 1 558 ? 25.191 -30.504 15.873 1.00 86.44 ? 576 SER B C 1 ATOM 4451 O O . SER A 1 558 ? 24.893 -29.748 16.802 1.00 86.12 ? 576 SER B O 1 ATOM 4452 C CB . SER A 1 558 ? 25.928 -28.939 14.055 1.00 88.78 ? 576 SER B CB 1 ATOM 4453 O OG . SER A 1 558 ? 25.793 -27.836 14.936 1.00 92.83 ? 576 SER B OG 1 ATOM 4454 N N . PRO A 1 559 ? 25.721 -31.722 16.066 1.00 89.37 ? 577 PRO B N 1 ATOM 4455 C CA . PRO A 1 559 ? 26.131 -32.629 14.986 1.00 89.83 ? 577 PRO B CA 1 ATOM 4456 C C . PRO A 1 559 ? 24.978 -33.429 14.392 1.00 88.00 ? 577 PRO B C 1 ATOM 4457 O O . PRO A 1 559 ? 23.964 -33.641 15.053 1.00 85.71 ? 577 PRO B O 1 ATOM 4458 C CB . PRO A 1 559 ? 27.121 -33.558 15.681 1.00 90.52 ? 577 PRO B CB 1 ATOM 4459 C CG . PRO A 1 559 ? 26.617 -33.632 17.078 1.00 89.14 ? 577 PRO B CG 1 ATOM 4460 C CD . PRO A 1 559 ? 26.045 -32.272 17.394 1.00 88.15 ? 577 PRO B CD 1 ATOM 4461 N N . ASP A 1 560 ? 25.142 -33.864 13.146 1.00 93.16 ? 578 ASP B N 1 ATOM 4462 C CA . ASP A 1 560 ? 24.131 -34.674 12.479 1.00 98.23 ? 578 ASP B CA 1 ATOM 4463 C C . ASP A 1 560 ? 24.341 -36.135 12.855 1.00 103.08 ? 578 ASP B C 1 ATOM 4464 O O . ASP A 1 560 ? 25.434 -36.680 12.659 1.00 105.90 ? 578 ASP B O 1 ATOM 4465 C CB . ASP A 1 560 ? 24.210 -34.480 10.965 1.00 102.25 ? 578 ASP B CB 1 ATOM 4466 C CG . ASP A 1 560 ? 22.943 -34.911 10.250 1.00 104.62 ? 578 ASP B CG 1 ATOM 4467 O OD1 . ASP A 1 560 ? 22.249 -35.825 10.743 1.00 103.29 ? 578 ASP B OD1 1 ATOM 4468 O OD2 . ASP A 1 560 ? 22.639 -34.332 9.186 1.00 107.84 ? 578 ASP B OD2 1 ATOM 4469 N N . ALA A 1 561 ? 23.303 -36.766 13.402 1.00 99.75 ? 579 ALA B N 1 ATOM 4470 C CA . ALA A 1 561 ? 23.392 -38.158 13.816 1.00 99.86 ? 579 ALA B CA 1 ATOM 4471 C C . ALA A 1 561 ? 22.023 -38.809 13.693 1.00 96.91 ? 579 ALA B C 1 ATOM 4472 O O . ALA A 1 561 ? 20.992 -38.136 13.771 1.00 95.34 ? 579 ALA B O 1 ATOM 4473 C CB . ALA A 1 561 ? 23.917 -38.289 15.251 1.00 98.65 ? 579 ALA B CB 1 ATOM 4474 N N . ASP A 1 562 ? 22.028 -40.131 13.498 1.00 96.61 ? 580 ASP B N 1 ATOM 4475 C CA . ASP A 1 562 ? 20.774 -40.871 13.408 1.00 95.18 ? 580 ASP B CA 1 ATOM 4476 C C . ASP A 1 562 ? 20.025 -40.867 14.733 1.00 94.66 ? 580 ASP B C 1 ATOM 4477 O O . ASP A 1 562 ? 18.792 -40.967 14.746 1.00 97.80 ? 580 ASP B O 1 ATOM 4478 C CB . ASP A 1 562 ? 21.041 -42.308 12.957 1.00 98.95 ? 580 ASP B CB 1 ATOM 4479 C CG . ASP A 1 562 ? 21.447 -42.395 11.500 1.00 103.25 ? 580 ASP B CG 1 ATOM 4480 O OD1 . ASP A 1 562 ? 20.856 -41.667 10.673 1.00 102.96 ? 580 ASP B OD1 1 ATOM 4481 O OD2 . ASP A 1 562 ? 22.357 -43.190 11.182 1.00 106.13 ? 580 ASP B OD2 1 ATOM 4482 N N . ALA A 1 563 ? 20.744 -40.749 15.848 1.00 92.28 ? 581 ALA B N 1 ATOM 4483 C CA . ALA A 1 563 ? 20.136 -40.726 17.169 1.00 85.70 ? 581 ALA B CA 1 ATOM 4484 C C . ALA A 1 563 ? 21.029 -39.937 18.115 1.00 84.72 ? 581 ALA B C 1 ATOM 4485 O O . ALA A 1 563 ? 22.253 -39.904 17.955 1.00 87.50 ? 581 ALA B O 1 ATOM 4486 C CB . ALA A 1 563 ? 19.906 -42.142 17.709 1.00 84.54 ? 581 ALA B CB 1 ATOM 4487 N N . TYR A 1 564 ? 20.403 -39.304 19.103 1.00 81.13 ? 582 TYR B N 1 ATOM 4488 C CA . TYR A 1 564 ? 21.089 -38.491 20.097 1.00 77.36 ? 582 TYR B CA 1 ATOM 4489 C C . TYR A 1 564 ? 20.870 -39.082 21.484 1.00 79.38 ? 582 TYR B C 1 ATOM 4490 O O . TYR A 1 564 ? 20.010 -39.941 21.692 1.00 80.96 ? 582 TYR B O 1 ATOM 4491 C CB . TYR A 1 564 ? 20.601 -37.035 20.055 1.00 72.23 ? 582 TYR B CB 1 ATOM 4492 C CG . TYR A 1 564 ? 20.824 -36.359 18.719 1.00 72.40 ? 582 TYR B CG 1 ATOM 4493 C CD1 . TYR A 1 564 ? 19.870 -36.434 17.711 1.00 68.22 ? 582 TYR B CD1 1 ATOM 4494 C CD2 . TYR A 1 564 ? 21.994 -35.655 18.460 1.00 73.19 ? 582 TYR B CD2 1 ATOM 4495 C CE1 . TYR A 1 564 ? 20.073 -35.825 16.486 1.00 67.83 ? 582 TYR B CE1 1 ATOM 4496 C CE2 . TYR A 1 564 ? 22.205 -35.042 17.238 1.00 71.75 ? 582 TYR B CE2 1 ATOM 4497 C CZ . TYR A 1 564 ? 21.242 -35.130 16.255 1.00 71.33 ? 582 TYR B CZ 1 ATOM 4498 O OH . TYR A 1 564 ? 21.449 -34.522 15.037 1.00 73.94 ? 582 TYR B OH 1 ATOM 4499 N N . SER A 1 565 ? 21.667 -38.606 22.441 1.00 82.93 ? 583 SER B N 1 ATOM 4500 C CA . SER A 1 565 ? 21.568 -39.034 23.827 1.00 83.95 ? 583 SER B CA 1 ATOM 4501 C C . SER A 1 565 ? 20.866 -37.970 24.666 1.00 79.44 ? 583 SER B C 1 ATOM 4502 O O . SER A 1 565 ? 20.907 -36.783 24.332 1.00 79.26 ? 583 SER B O 1 ATOM 4503 C CB . SER A 1 565 ? 22.959 -39.315 24.403 1.00 90.06 ? 583 SER B CB 1 ATOM 4504 O OG . SER A 1 565 ? 23.833 -38.222 24.185 1.00 95.56 ? 583 SER B OG 1 ATOM 4505 N N . PRO A 1 566 ? 20.199 -38.360 25.753 1.00 76.00 ? 584 PRO B N 1 ATOM 4506 C CA . PRO A 1 566 ? 19.455 -37.374 26.547 1.00 70.49 ? 584 PRO B CA 1 ATOM 4507 C C . PRO A 1 566 ? 20.382 -36.344 27.176 1.00 67.08 ? 584 PRO B C 1 ATOM 4508 O O . PRO A 1 566 ? 21.500 -36.656 27.589 1.00 63.84 ? 584 PRO B O 1 ATOM 4509 C CB . PRO A 1 566 ? 18.758 -38.228 27.612 1.00 68.38 ? 584 PRO B CB 1 ATOM 4510 C CG . PRO A 1 566 ? 18.714 -39.600 27.031 1.00 70.90 ? 584 PRO B CG 1 ATOM 4511 C CD . PRO A 1 566 ? 19.977 -39.732 26.239 1.00 74.85 ? 584 PRO B CD 1 ATOM 4512 N N . GLY A 1 567 ? 19.905 -35.102 27.234 1.00 65.55 ? 585 GLY B N 1 ATOM 4513 C CA . GLY A 1 567 ? 20.672 -34.011 27.803 1.00 64.43 ? 585 GLY B CA 1 ATOM 4514 C C . GLY A 1 567 ? 21.826 -33.520 26.961 1.00 65.33 ? 585 GLY B C 1 ATOM 4515 O O . GLY A 1 567 ? 22.604 -32.684 27.432 1.00 64.33 ? 585 GLY B O 1 ATOM 4516 N N . GLN A 1 568 ? 21.959 -34.003 25.728 1.00 68.53 ? 586 GLN B N 1 ATOM 4517 C CA . GLN A 1 568 ? 23.097 -33.644 24.892 1.00 72.11 ? 586 GLN B CA 1 ATOM 4518 C C . GLN A 1 568 ? 22.993 -32.195 24.431 1.00 75.28 ? 586 GLN B C 1 ATOM 4519 O O . GLN A 1 568 ? 21.948 -31.759 23.942 1.00 75.61 ? 586 GLN B O 1 ATOM 4520 C CB . GLN A 1 568 ? 23.174 -34.577 23.686 1.00 70.55 ? 586 GLN B CB 1 ATOM 4521 C CG . GLN A 1 568 ? 24.338 -34.309 22.755 1.00 73.81 ? 586 GLN B CG 1 ATOM 4522 C CD . GLN A 1 568 ? 24.448 -35.347 21.656 1.00 77.37 ? 586 GLN B CD 1 ATOM 4523 O OE1 . GLN A 1 568 ? 23.696 -36.322 21.632 1.00 76.86 ? 586 GLN B OE1 1 ATOM 4524 N NE2 . GLN A 1 568 ? 25.387 -35.144 20.740 1.00 80.55 ? 586 GLN B NE2 1 ATOM 4525 N N . THR A 1 569 ? 24.080 -31.448 24.597 1.00 80.41 ? 587 THR B N 1 ATOM 4526 C CA . THR A 1 569 ? 24.141 -30.088 24.081 1.00 83.80 ? 587 THR B CA 1 ATOM 4527 C C . THR A 1 569 ? 24.325 -30.136 22.569 1.00 84.76 ? 587 THR B C 1 ATOM 4528 O O . THR A 1 569 ? 25.269 -30.755 22.070 1.00 87.97 ? 587 THR B O 1 ATOM 4529 C CB . THR A 1 569 ? 25.279 -29.314 24.742 1.00 88.02 ? 587 THR B CB 1 ATOM 4530 O OG1 . THR A 1 569 ? 26.485 -30.084 24.670 1.00 95.22 ? 587 THR B OG1 1 ATOM 4531 C CG2 . THR A 1 569 ? 24.952 -29.027 26.203 1.00 87.11 ? 587 THR B CG2 1 ATOM 4532 N N . VAL A 1 570 ? 23.416 -29.492 21.842 1.00 83.08 ? 588 VAL B N 1 ATOM 4533 C CA . VAL A 1 570 ? 23.389 -29.547 20.388 1.00 81.11 ? 588 VAL B CA 1 ATOM 4534 C C . VAL A 1 570 ? 23.129 -28.141 19.861 1.00 79.54 ? 588 VAL B C 1 ATOM 4535 O O . VAL A 1 570 ? 22.532 -27.303 20.544 1.00 82.18 ? 588 VAL B O 1 ATOM 4536 C CB . VAL A 1 570 ? 22.320 -30.556 19.898 1.00 77.84 ? 588 VAL B CB 1 ATOM 4537 C CG1 . VAL A 1 570 ? 20.926 -30.063 20.240 1.00 75.44 ? 588 VAL B CG1 1 ATOM 4538 C CG2 . VAL A 1 570 ? 22.454 -30.831 18.416 1.00 80.60 ? 588 VAL B CG2 1 ATOM 4539 N N . SER A 1 571 ? 23.605 -27.874 18.647 1.00 78.07 ? 589 SER B N 1 ATOM 4540 C CA . SER A 1 571 ? 23.442 -26.573 18.014 1.00 77.72 ? 589 SER B CA 1 ATOM 4541 C C . SER A 1 571 ? 22.499 -26.679 16.822 1.00 69.35 ? 589 SER B C 1 ATOM 4542 O O . SER A 1 571 ? 22.594 -27.615 16.025 1.00 67.01 ? 589 SER B O 1 ATOM 4543 C CB . SER A 1 571 ? 24.792 -26.007 17.562 1.00 86.54 ? 589 SER B CB 1 ATOM 4544 O OG . SER A 1 571 ? 25.630 -25.724 18.672 1.00 92.27 ? 589 SER B OG 1 ATOM 4545 N N . LEU A 1 572 ? 21.583 -25.722 16.714 1.00 65.61 ? 590 LEU B N 1 ATOM 4546 C CA . LEU A 1 572 ? 20.653 -25.627 15.595 1.00 66.93 ? 590 LEU B CA 1 ATOM 4547 C C . LEU A 1 572 ? 21.046 -24.445 14.721 1.00 70.57 ? 590 LEU B C 1 ATOM 4548 O O . LEU A 1 572 ? 21.184 -23.320 15.215 1.00 72.24 ? 590 LEU B O 1 ATOM 4549 C CB . LEU A 1 572 ? 19.213 -25.460 16.085 1.00 63.97 ? 590 LEU B CB 1 ATOM 4550 C CG . LEU A 1 572 ? 18.113 -25.434 15.024 1.00 61.57 ? 590 LEU B CG 1 ATOM 4551 C CD1 . LEU A 1 572 ? 17.842 -26.828 14.501 1.00 56.27 ? 590 LEU B CD1 1 ATOM 4552 C CD2 . LEU A 1 572 ? 16.844 -24.830 15.588 1.00 62.39 ? 590 LEU B CD2 1 ATOM 4553 N N . ASN A 1 573 ? 21.224 -24.703 13.429 1.00 70.71 ? 591 ASN B N 1 ATOM 4554 C CA . ASN A 1 573 ? 21.649 -23.695 12.467 1.00 71.72 ? 591 ASN B CA 1 ATOM 4555 C C . ASN A 1 573 ? 20.470 -23.317 11.580 1.00 67.83 ? 591 ASN B C 1 ATOM 4556 O O . ASN A 1 573 ? 19.884 -24.180 10.914 1.00 66.57 ? 591 ASN B O 1 ATOM 4557 C CB . ASN A 1 573 ? 22.814 -24.207 11.622 1.00 77.86 ? 591 ASN B CB 1 ATOM 4558 C CG . ASN A 1 573 ? 24.012 -24.592 12.464 1.00 86.26 ? 591 ASN B CG 1 ATOM 4559 O OD1 . ASN A 1 573 ? 24.840 -23.749 12.808 1.00 89.39 ? 591 ASN B OD1 1 ATOM 4560 N ND2 . ASN A 1 573 ? 24.110 -25.872 12.803 1.00 89.74 ? 591 ASN B ND2 1 ATOM 4561 N N . MET A 1 574 ? 20.129 -22.032 11.575 1.00 65.74 ? 592 MET B N 1 ATOM 4562 C CA . MET A 1 574 ? 19.076 -21.493 10.729 1.00 59.46 ? 592 MET B CA 1 ATOM 4563 C C . MET A 1 574 ? 19.704 -20.641 9.636 1.00 69.36 ? 592 MET B C 1 ATOM 4564 O O . MET A 1 574 ? 20.575 -19.808 9.914 1.00 71.60 ? 592 MET B O 1 ATOM 4565 C CB . MET A 1 574 ? 18.085 -20.672 11.555 1.00 57.52 ? 592 MET B CB 1 ATOM 4566 C CG . MET A 1 574 ? 17.348 -21.494 12.596 1.00 60.83 ? 592 MET B CG 1 ATOM 4567 S SD . MET A 1 574 ? 16.329 -20.494 13.692 1.00 64.75 ? 592 MET B SD 1 ATOM 4568 C CE . MET A 1 574 ? 17.578 -19.506 14.512 1.00 65.35 ? 592 MET B CE 1 ATOM 4569 N N . ALA A 1 575 ? 19.275 -20.865 8.394 1.00 68.74 ? 593 ALA B N 1 ATOM 4570 C CA . ALA A 1 575 ? 19.790 -20.137 7.241 1.00 68.06 ? 593 ALA B CA 1 ATOM 4571 C C . ALA A 1 575 ? 18.633 -19.709 6.352 1.00 66.03 ? 593 ALA B C 1 ATOM 4572 O O . ALA A 1 575 ? 17.783 -20.530 5.991 1.00 59.08 ? 593 ALA B O 1 ATOM 4573 C CB . ALA A 1 575 ? 20.781 -20.987 6.440 1.00 64.57 ? 593 ALA B CB 1 ATOM 4574 N N . THR A 1 576 ? 18.606 -18.425 6.005 1.00 68.53 ? 594 THR B N 1 ATOM 4575 C CA . THR A 1 576 ? 17.592 -17.868 5.125 1.00 67.74 ? 594 THR B CA 1 ATOM 4576 C C . THR A 1 576 ? 18.271 -17.100 3.999 1.00 69.81 ? 594 THR B C 1 ATOM 4577 O O . THR A 1 576 ? 19.410 -16.645 4.127 1.00 72.57 ? 594 THR B O 1 ATOM 4578 C CB . THR A 1 576 ? 16.616 -16.947 5.880 1.00 64.71 ? 594 THR B CB 1 ATOM 4579 O OG1 . THR A 1 576 ? 17.348 -15.926 6.568 1.00 70.13 ? 594 THR B OG1 1 ATOM 4580 C CG2 . THR A 1 576 ? 15.814 -17.733 6.891 1.00 60.58 ? 594 THR B CG2 1 ATOM 4581 N N . GLY A 1 577 ? 17.555 -16.974 2.879 1.00 69.53 ? 595 GLY B N 1 ATOM 4582 C CA . GLY A 1 577 ? 18.087 -16.217 1.760 1.00 69.71 ? 595 GLY B CA 1 ATOM 4583 C C . GLY A 1 577 ? 18.243 -14.744 2.084 1.00 71.95 ? 595 GLY B C 1 ATOM 4584 O O . GLY A 1 577 ? 19.241 -14.120 1.715 1.00 74.54 ? 595 GLY B O 1 ATOM 4585 N N . MET A 1 578 ? 17.266 -14.172 2.782 1.00 73.20 ? 596 MET B N 1 ATOM 4586 C CA . MET A 1 578 ? 17.322 -12.787 3.220 1.00 75.14 ? 596 MET B CA 1 ATOM 4587 C C . MET A 1 578 ? 16.886 -12.721 4.677 1.00 66.26 ? 596 MET B C 1 ATOM 4588 O O . MET A 1 578 ? 16.364 -13.693 5.230 1.00 59.16 ? 596 MET B O 1 ATOM 4589 C CB . MET A 1 578 ? 16.445 -11.888 2.338 1.00 79.44 ? 596 MET B CB 1 ATOM 4590 C CG . MET A 1 578 ? 16.925 -11.778 0.898 1.00 84.66 ? 596 MET B CG 1 ATOM 4591 S SD . MET A 1 578 ? 15.690 -11.063 -0.205 1.00 86.76 ? 596 MET B SD 1 ATOM 4592 C CE . MET A 1 578 ? 14.379 -12.284 -0.096 1.00 83.17 ? 596 MET B CE 1 ATOM 4593 N N . ASP A 1 579 ? 17.116 -11.564 5.299 1.00 65.95 ? 597 ASP B N 1 ATOM 4594 C CA . ASP A 1 579 ? 16.695 -11.340 6.678 1.00 64.77 ? 597 ASP B CA 1 ATOM 4595 C C . ASP A 1 579 ? 15.232 -11.713 6.857 1.00 62.19 ? 597 ASP B C 1 ATOM 4596 O O . ASP A 1 579 ? 14.349 -11.135 6.218 1.00 63.33 ? 597 ASP B O 1 ATOM 4597 C CB . ASP A 1 579 ? 16.922 -9.878 7.071 1.00 65.92 ? 597 ASP B CB 1 ATOM 4598 C CG . ASP A 1 579 ? 18.388 -9.529 7.195 1.00 74.55 ? 597 ASP B CG 1 ATOM 4599 O OD1 . ASP A 1 579 ? 19.211 -10.178 6.518 1.00 80.05 ? 597 ASP B OD1 1 ATOM 4600 O OD2 . ASP A 1 579 ? 18.720 -8.607 7.970 1.00 79.39 ? 597 ASP B OD2 1 ATOM 4601 N N . SER A 1 580 ? 14.978 -12.686 7.727 1.00 59.95 ? 598 SER B N 1 ATOM 4602 C CA . SER A 1 580 ? 13.639 -13.231 7.882 1.00 55.13 ? 598 SER B CA 1 ATOM 4603 C C . SER A 1 580 ? 13.387 -13.594 9.335 1.00 56.46 ? 598 SER B C 1 ATOM 4604 O O . SER A 1 580 ? 14.300 -13.999 10.054 1.00 63.98 ? 598 SER B O 1 ATOM 4605 C CB . SER A 1 580 ? 13.436 -14.476 7.015 1.00 53.78 ? 598 SER B CB 1 ATOM 4606 O OG . SER A 1 580 ? 12.199 -15.100 7.314 1.00 52.50 ? 598 SER B OG 1 ATOM 4607 N N . TRP A 1 581 ? 12.136 -13.454 9.760 1.00 52.66 ? 599 TRP B N 1 ATOM 4608 C CA . TRP A 1 581 ? 11.730 -14.003 11.041 1.00 51.85 ? 599 TRP B CA 1 ATOM 4609 C C . TRP A 1 581 ? 11.535 -15.507 10.910 1.00 54.56 ? 599 TRP B C 1 ATOM 4610 O O . TRP A 1 581 ? 11.208 -16.018 9.836 1.00 55.25 ? 599 TRP B O 1 ATOM 4611 C CB . TRP A 1 581 ? 10.443 -13.344 11.535 1.00 48.80 ? 599 TRP B CB 1 ATOM 4612 C CG . TRP A 1 581 ? 10.600 -11.889 11.818 1.00 52.10 ? 599 TRP B CG 1 ATOM 4613 C CD1 . TRP A 1 581 ? 10.276 -10.855 10.992 1.00 53.33 ? 599 TRP B CD1 1 ATOM 4614 C CD2 . TRP A 1 581 ? 11.131 -11.299 13.012 1.00 53.89 ? 599 TRP B CD2 1 ATOM 4615 N NE1 . TRP A 1 581 ? 10.567 -9.656 11.599 1.00 56.39 ? 599 TRP B NE1 1 ATOM 4616 C CE2 . TRP A 1 581 ? 11.093 -9.902 12.840 1.00 54.46 ? 599 TRP B CE2 1 ATOM 4617 C CE3 . TRP A 1 581 ? 11.629 -11.817 14.212 1.00 55.14 ? 599 TRP B CE3 1 ATOM 4618 C CZ2 . TRP A 1 581 ? 11.537 -9.016 13.819 1.00 52.54 ? 599 TRP B CZ2 1 ATOM 4619 C CZ3 . TRP A 1 581 ? 12.068 -10.936 15.185 1.00 51.87 ? 599 TRP B CZ3 1 ATOM 4620 C CH2 . TRP A 1 581 ? 12.019 -9.551 14.982 1.00 52.83 ? 599 TRP B CH2 1 ATOM 4621 N N . VAL A 1 582 ? 11.763 -16.222 12.009 1.00 52.27 ? 600 VAL B N 1 ATOM 4622 C CA . VAL A 1 582 ? 11.659 -17.677 12.018 1.00 51.28 ? 600 VAL B CA 1 ATOM 4623 C C . VAL A 1 582 ? 10.989 -18.103 13.313 1.00 49.79 ? 600 VAL B C 1 ATOM 4624 O O . VAL A 1 582 ? 11.495 -17.813 14.401 1.00 52.84 ? 600 VAL B O 1 ATOM 4625 C CB . VAL A 1 582 ? 13.027 -18.367 11.876 1.00 53.42 ? 600 VAL B CB 1 ATOM 4626 C CG1 . VAL A 1 582 ? 12.893 -19.855 12.139 1.00 53.46 ? 600 VAL B CG1 1 ATOM 4627 C CG2 . VAL A 1 582 ? 13.592 -18.138 10.491 1.00 55.06 ? 600 VAL B CG2 1 ATOM 4628 N N . ALA A 1 583 ? 9.859 -18.786 13.198 1.00 45.25 ? 601 ALA B N 1 ATOM 4629 C CA . ALA A 1 583 ? 9.165 -19.360 14.339 1.00 44.20 ? 601 ALA B CA 1 ATOM 4630 C C . ALA A 1 583 ? 9.531 -20.835 14.422 1.00 48.64 ? 601 ALA B C 1 ATOM 4631 O O . ALA A 1 583 ? 9.341 -21.581 13.455 1.00 48.89 ? 601 ALA B O 1 ATOM 4632 C CB . ALA A 1 583 ? 7.655 -19.174 14.208 1.00 42.55 ? 601 ALA B CB 1 ATOM 4633 N N . LEU A 1 584 ? 10.069 -21.248 15.566 1.00 51.38 ? 602 LEU B N 1 ATOM 4634 C CA . LEU A 1 584 ? 10.548 -22.605 15.768 1.00 48.10 ? 602 LEU B CA 1 ATOM 4635 C C . LEU A 1 584 ? 9.595 -23.384 16.664 1.00 45.61 ? 602 LEU B C 1 ATOM 4636 O O . LEU A 1 584 ? 8.842 -22.815 17.457 1.00 43.26 ? 602 LEU B O 1 ATOM 4637 C CB . LEU A 1 584 ? 11.952 -22.603 16.380 1.00 47.94 ? 602 LEU B CB 1 ATOM 4638 C CG . LEU A 1 584 ? 13.064 -22.066 15.482 1.00 51.65 ? 602 LEU B CG 1 ATOM 4639 C CD1 . LEU A 1 584 ? 14.382 -22.034 16.232 1.00 50.46 ? 602 LEU B CD1 1 ATOM 4640 C CD2 . LEU A 1 584 ? 13.175 -22.917 14.230 1.00 48.91 ? 602 LEU B CD2 1 ATOM 4641 N N . ALA A 1 585 ? 9.639 -24.707 16.522 1.00 47.49 ? 603 ALA B N 1 ATOM 4642 C CA . ALA A 1 585 ? 8.877 -25.592 17.387 1.00 48.53 ? 603 ALA B CA 1 ATOM 4643 C C . ALA A 1 585 ? 9.605 -26.923 17.482 1.00 54.07 ? 603 ALA B C 1 ATOM 4644 O O . ALA A 1 585 ? 10.275 -27.346 16.536 1.00 61.84 ? 603 ALA B O 1 ATOM 4645 C CB . ALA A 1 585 ? 7.447 -25.796 16.877 1.00 41.83 ? 603 ALA B CB 1 ATOM 4646 N N . ALA A 1 586 ? 9.479 -27.571 18.638 1.00 54.45 ? 604 ALA B N 1 ATOM 4647 C CA . ALA A 1 586 ? 10.050 -28.898 18.865 1.00 55.40 ? 604 ALA B CA 1 ATOM 4648 C C . ALA A 1 586 ? 8.988 -29.749 19.548 1.00 57.59 ? 604 ALA B C 1 ATOM 4649 O O . ALA A 1 586 ? 8.690 -29.539 20.729 1.00 54.45 ? 604 ALA B O 1 ATOM 4650 C CB . ALA A 1 586 ? 11.322 -28.822 19.708 1.00 46.50 ? 604 ALA B CB 1 ATOM 4651 N N . VAL A 1 587 ? 8.419 -30.707 18.813 1.00 56.69 ? 605 VAL B N 1 ATOM 4652 C CA . VAL A 1 587 ? 7.246 -31.450 19.261 1.00 55.00 ? 605 VAL B CA 1 ATOM 4653 C C . VAL A 1 587 ? 7.539 -32.944 19.227 1.00 61.21 ? 605 VAL B C 1 ATOM 4654 O O . VAL A 1 587 ? 8.191 -33.435 18.300 1.00 64.57 ? 605 VAL B O 1 ATOM 4655 C CB . VAL A 1 587 ? 6.019 -31.126 18.385 1.00 54.52 ? 605 VAL B CB 1 ATOM 4656 C CG1 . VAL A 1 587 ? 4.762 -31.705 19.000 1.00 59.98 ? 605 VAL B CG1 1 ATOM 4657 C CG2 . VAL A 1 587 ? 5.886 -29.630 18.198 1.00 50.41 ? 605 VAL B CG2 1 ATOM 4658 N N . ASP A 1 588 ? 7.044 -33.672 20.231 1.00 61.95 ? 606 ASP B N 1 ATOM 4659 C CA . ASP A 1 588 ? 7.116 -35.131 20.204 1.00 62.41 ? 606 ASP B CA 1 ATOM 4660 C C . ASP A 1 588 ? 6.326 -35.656 19.013 1.00 56.42 ? 606 ASP B C 1 ATOM 4661 O O . ASP A 1 588 ? 5.096 -35.554 18.988 1.00 52.06 ? 606 ASP B O 1 ATOM 4662 C CB . ASP A 1 588 ? 6.587 -35.732 21.513 1.00 65.97 ? 606 ASP B CB 1 ATOM 4663 C CG . ASP A 1 588 ? 6.467 -37.256 21.464 1.00 69.95 ? 606 ASP B CG 1 ATOM 4664 O OD1 . ASP A 1 588 ? 7.182 -37.900 20.668 1.00 70.10 ? 606 ASP B OD1 1 ATOM 4665 O OD2 . ASP A 1 588 ? 5.656 -37.815 22.236 1.00 72.47 ? 606 ASP B OD2 1 ATOM 4666 N N . SER A 1 589 ? 7.022 -36.224 18.026 1.00 57.94 ? 607 SER B N 1 ATOM 4667 C CA . SER A 1 589 ? 6.368 -36.651 16.792 1.00 61.71 ? 607 SER B CA 1 ATOM 4668 C C . SER A 1 589 ? 5.273 -37.682 17.029 1.00 61.75 ? 607 SER B C 1 ATOM 4669 O O . SER A 1 589 ? 4.380 -37.829 16.185 1.00 62.80 ? 607 SER B O 1 ATOM 4670 C CB . SER A 1 589 ? 7.403 -37.219 15.825 1.00 65.72 ? 607 SER B CB 1 ATOM 4671 O OG . SER A 1 589 ? 8.144 -38.252 16.446 1.00 70.87 ? 607 SER B OG 1 ATOM 4672 N N . ALA A 1 590 ? 5.311 -38.389 18.162 1.00 61.67 ? 608 ALA B N 1 ATOM 4673 C CA . ALA A 1 590 ? 4.308 -39.407 18.448 1.00 59.40 ? 608 ALA B CA 1 ATOM 4674 C C . ALA A 1 590 ? 2.895 -38.840 18.493 1.00 57.22 ? 608 ALA B C 1 ATOM 4675 O O . ALA A 1 590 ? 1.932 -39.608 18.392 1.00 61.02 ? 608 ALA B O 1 ATOM 4676 C CB . ALA A 1 590 ? 4.634 -40.106 19.769 1.00 59.81 ? 608 ALA B CB 1 ATOM 4677 N N . VAL A 1 591 ? 2.746 -37.519 18.635 1.00 53.57 ? 609 VAL B N 1 ATOM 4678 C CA . VAL A 1 591 ? 1.418 -36.918 18.634 1.00 57.63 ? 609 VAL B CA 1 ATOM 4679 C C . VAL A 1 591 ? 0.741 -37.040 17.278 1.00 62.15 ? 609 VAL B C 1 ATOM 4680 O O . VAL A 1 591 ? -0.487 -36.937 17.194 1.00 68.62 ? 609 VAL B O 1 ATOM 4681 C CB . VAL A 1 591 ? 1.471 -35.434 19.049 1.00 55.81 ? 609 VAL B CB 1 ATOM 4682 C CG1 . VAL A 1 591 ? 2.124 -35.284 20.397 1.00 54.83 ? 609 VAL B CG1 1 ATOM 4683 C CG2 . VAL A 1 591 ? 2.213 -34.612 18.008 1.00 56.84 ? 609 VAL B CG2 1 ATOM 4684 N N . TYR A 1 592 ? 1.503 -37.253 16.207 1.00 61.41 ? 610 TYR B N 1 ATOM 4685 C CA . TYR A 1 592 ? 0.911 -37.269 14.878 1.00 61.46 ? 610 TYR B CA 1 ATOM 4686 C C . TYR A 1 592 ? 0.482 -38.658 14.429 1.00 70.90 ? 610 TYR B C 1 ATOM 4687 O O . TYR A 1 592 ? -0.292 -38.770 13.471 1.00 77.50 ? 610 TYR B O 1 ATOM 4688 C CB . TYR A 1 592 ? 1.888 -36.677 13.858 1.00 54.79 ? 610 TYR B CB 1 ATOM 4689 C CG . TYR A 1 592 ? 2.319 -35.264 14.178 1.00 46.59 ? 610 TYR B CG 1 ATOM 4690 C CD1 . TYR A 1 592 ? 1.386 -34.241 14.295 1.00 42.09 ? 610 TYR B CD1 1 ATOM 4691 C CD2 . TYR A 1 592 ? 3.658 -34.949 14.352 1.00 47.83 ? 610 TYR B CD2 1 ATOM 4692 C CE1 . TYR A 1 592 ? 1.776 -32.946 14.586 1.00 41.79 ? 610 TYR B CE1 1 ATOM 4693 C CE2 . TYR A 1 592 ? 4.059 -33.658 14.640 1.00 46.46 ? 610 TYR B CE2 1 ATOM 4694 C CZ . TYR A 1 592 ? 3.116 -32.663 14.756 1.00 45.70 ? 610 TYR B CZ 1 ATOM 4695 O OH . TYR A 1 592 ? 3.520 -31.380 15.044 1.00 51.59 ? 610 TYR B OH 1 ATOM 4696 N N . GLY A 1 593 ? 0.956 -39.708 15.094 1.00 73.01 ? 611 GLY B N 1 ATOM 4697 C CA . GLY A 1 593 ? 0.579 -41.068 14.753 1.00 74.31 ? 611 GLY B CA 1 ATOM 4698 C C . GLY A 1 593 ? 0.996 -41.495 13.358 1.00 76.72 ? 611 GLY B C 1 ATOM 4699 O O . GLY A 1 593 ? 1.746 -42.457 13.189 1.00 80.31 ? 611 GLY B O 1 ATOM 4700 N N . LEU A 1 602 ? 1.837 -31.582 9.438 1.00 117.80 ? 620 LEU B N 1 ATOM 4701 C CA . LEU A 1 602 ? 0.451 -31.868 9.084 1.00 120.68 ? 620 LEU B CA 1 ATOM 4702 C C . LEU A 1 602 ? -0.085 -30.901 8.035 1.00 123.63 ? 620 LEU B C 1 ATOM 4703 O O . LEU A 1 602 ? -0.823 -31.298 7.131 1.00 123.54 ? 620 LEU B O 1 ATOM 4704 C CB . LEU A 1 602 ? -0.443 -31.816 10.325 1.00 120.87 ? 620 LEU B CB 1 ATOM 4705 C CG . LEU A 1 602 ? -0.284 -32.928 11.362 1.00 123.59 ? 620 LEU B CG 1 ATOM 4706 C CD1 . LEU A 1 602 ? -1.317 -32.765 12.472 1.00 122.45 ? 620 LEU B CD1 1 ATOM 4707 C CD2 . LEU A 1 602 ? -0.383 -34.309 10.715 1.00 124.66 ? 620 LEU B CD2 1 ATOM 4708 N N . GLU A 1 603 ? 0.288 -29.631 8.163 1.00 124.19 ? 621 GLU B N 1 ATOM 4709 C CA . GLU A 1 603 ? -0.258 -28.574 7.326 1.00 120.54 ? 621 GLU B CA 1 ATOM 4710 C C . GLU A 1 603 ? 0.601 -28.337 6.091 1.00 122.17 ? 621 GLU B C 1 ATOM 4711 O O . GLU A 1 603 ? 1.828 -28.475 6.121 1.00 118.07 ? 621 GLU B O 1 ATOM 4712 C CB . GLU A 1 603 ? -0.386 -27.273 8.118 1.00 114.24 ? 621 GLU B CB 1 ATOM 4713 C CG . GLU A 1 603 ? -1.816 -26.888 8.439 1.00 107.22 ? 621 GLU B CG 1 ATOM 4714 C CD . GLU A 1 603 ? -1.902 -25.563 9.159 1.00 101.70 ? 621 GLU B CD 1 ATOM 4715 O OE1 . GLU A 1 603 ? -0.903 -25.174 9.801 1.00 99.29 ? 621 GLU B OE1 1 ATOM 4716 O OE2 . GLU A 1 603 ? -2.962 -24.907 9.077 1.00 99.04 ? 621 GLU B OE2 1 ATOM 4717 N N . ARG A 1 604 ? -0.067 -27.974 4.998 1.00 128.71 ? 622 ARG B N 1 ATOM 4718 C CA . ARG A 1 604 ? 0.585 -27.597 3.750 1.00 135.04 ? 622 ARG B CA 1 ATOM 4719 C C . ARG A 1 604 ? 0.006 -26.264 3.303 1.00 142.30 ? 622 ARG B C 1 ATOM 4720 O O . ARG A 1 604 ? -1.196 -26.166 3.033 1.00 140.88 ? 622 ARG B O 1 ATOM 4721 C CB . ARG A 1 604 ? 0.390 -28.664 2.671 1.00 132.69 ? 622 ARG B CB 1 ATOM 4722 C CG . ARG A 1 604 ? 1.138 -28.377 1.383 1.00 130.34 ? 622 ARG B CG 1 ATOM 4723 C CD . ARG A 1 604 ? 1.039 -29.547 0.426 1.00 129.41 ? 622 ARG B CD 1 ATOM 4724 N NE . ARG A 1 604 ? 1.832 -29.335 -0.779 1.00 130.50 ? 622 ARG B NE 1 ATOM 4725 C CZ . ARG A 1 604 ? 1.986 -30.244 -1.736 1.00 132.22 ? 622 ARG B CZ 1 ATOM 4726 N NH1 . ARG A 1 604 ? 1.400 -31.428 -1.625 1.00 132.31 ? 622 ARG B NH1 1 ATOM 4727 N NH2 . ARG A 1 604 ? 2.726 -29.971 -2.802 1.00 133.65 ? 622 ARG B NH2 1 ATOM 4728 N N . VAL A 1 605 ? 0.858 -25.246 3.226 1.00 151.28 ? 623 VAL B N 1 ATOM 4729 C CA . VAL A 1 605 ? 0.388 -23.886 2.993 1.00 150.33 ? 623 VAL B CA 1 ATOM 4730 C C . VAL A 1 605 ? 0.246 -23.561 1.505 1.00 148.86 ? 623 VAL B C 1 ATOM 4731 O O . VAL A 1 605 ? -0.653 -22.801 1.125 1.00 147.79 ? 623 VAL B O 1 ATOM 4732 C CB . VAL A 1 605 ? 1.331 -22.895 3.700 1.00 151.70 ? 623 VAL B CB 1 ATOM 4733 C CG1 . VAL A 1 605 ? 0.917 -21.460 3.427 1.00 153.57 ? 623 VAL B CG1 1 ATOM 4734 C CG2 . VAL A 1 605 ? 1.360 -23.165 5.203 1.00 150.12 ? 623 VAL B CG2 1 ATOM 4735 N N . PHE A 1 606 ? 1.096 -24.139 0.648 1.00 149.42 ? 624 PHE B N 1 ATOM 4736 C CA . PHE A 1 606 ? 1.105 -23.766 -0.766 1.00 148.23 ? 624 PHE B CA 1 ATOM 4737 C C . PHE A 1 606 ? -0.207 -24.113 -1.463 1.00 142.64 ? 624 PHE B C 1 ATOM 4738 O O . PHE A 1 606 ? -0.590 -23.443 -2.429 1.00 140.43 ? 624 PHE B O 1 ATOM 4739 C CB . PHE A 1 606 ? 2.278 -24.440 -1.482 1.00 151.65 ? 624 PHE B CB 1 ATOM 4740 C CG . PHE A 1 606 ? 3.627 -23.945 -1.036 1.00 154.61 ? 624 PHE B CG 1 ATOM 4741 C CD1 . PHE A 1 606 ? 4.270 -22.926 -1.723 1.00 155.26 ? 624 PHE B CD1 1 ATOM 4742 C CD2 . PHE A 1 606 ? 4.251 -24.497 0.072 1.00 156.20 ? 624 PHE B CD2 1 ATOM 4743 C CE1 . PHE A 1 606 ? 5.510 -22.467 -1.313 1.00 157.34 ? 624 PHE B CE1 1 ATOM 4744 C CE2 . PHE A 1 606 ? 5.490 -24.043 0.489 1.00 157.88 ? 624 PHE B CE2 1 ATOM 4745 C CZ . PHE A 1 606 ? 6.121 -23.027 -0.205 1.00 158.86 ? 624 PHE B CZ 1 ATOM 4746 N N . GLN A 1 607 ? -0.906 -25.149 -0.995 1.00 138.53 ? 625 GLN B N 1 ATOM 4747 C CA . GLN A 1 607 ? -2.174 -25.528 -1.612 1.00 132.21 ? 625 GLN B CA 1 ATOM 4748 C C . GLN A 1 607 ? -3.326 -24.659 -1.113 1.00 118.90 ? 625 GLN B C 1 ATOM 4749 O O . GLN A 1 607 ? -4.180 -24.245 -1.905 1.00 116.20 ? 625 GLN B O 1 ATOM 4750 C CB . GLN A 1 607 ? -2.456 -27.010 -1.358 1.00 139.10 ? 625 GLN B CB 1 ATOM 4751 C CG . GLN A 1 607 ? -2.321 -27.438 0.097 1.00 145.70 ? 625 GLN B CG 1 ATOM 4752 C CD . GLN A 1 607 ? -2.422 -28.941 0.273 1.00 150.65 ? 625 GLN B CD 1 ATOM 4753 O OE1 . GLN A 1 607 ? -2.319 -29.698 -0.692 1.00 153.63 ? 625 GLN B OE1 1 ATOM 4754 N NE2 . GLN A 1 607 ? -2.626 -29.380 1.510 1.00 151.22 ? 625 GLN B NE2 1 ATOM 4755 N N . PHE A 1 608 ? -3.364 -24.368 0.191 1.00 110.26 ? 626 PHE B N 1 ATOM 4756 C CA . PHE A 1 608 ? -4.369 -23.464 0.741 1.00 100.78 ? 626 PHE B CA 1 ATOM 4757 C C . PHE A 1 608 ? -4.150 -22.021 0.308 1.00 92.48 ? 626 PHE B C 1 ATOM 4758 O O . PHE A 1 608 ? -5.061 -21.199 0.453 1.00 86.74 ? 626 PHE B O 1 ATOM 4759 C CB . PHE A 1 608 ? -4.377 -23.550 2.272 1.00 99.33 ? 626 PHE B CB 1 ATOM 4760 C CG . PHE A 1 608 ? -5.696 -23.186 2.890 1.00 97.00 ? 626 PHE B CG 1 ATOM 4761 C CD1 . PHE A 1 608 ? -5.971 -21.879 3.259 1.00 94.95 ? 626 PHE B CD1 1 ATOM 4762 C CD2 . PHE A 1 608 ? -6.670 -24.152 3.088 1.00 97.59 ? 626 PHE B CD2 1 ATOM 4763 C CE1 . PHE A 1 608 ? -7.189 -21.542 3.815 1.00 94.63 ? 626 PHE B CE1 1 ATOM 4764 C CE2 . PHE A 1 608 ? -7.890 -23.823 3.646 1.00 97.23 ? 626 PHE B CE2 1 ATOM 4765 C CZ . PHE A 1 608 ? -8.150 -22.516 4.011 1.00 95.94 ? 626 PHE B CZ 1 ATOM 4766 N N . LEU A 1 609 ? -2.972 -21.703 -0.230 1.00 91.85 ? 627 LEU B N 1 ATOM 4767 C CA . LEU A 1 609 ? -2.667 -20.338 -0.637 1.00 91.29 ? 627 LEU B CA 1 ATOM 4768 C C . LEU A 1 609 ? -3.256 -20.009 -2.004 1.00 98.96 ? 627 LEU B C 1 ATOM 4769 O O . LEU A 1 609 ? -3.689 -18.875 -2.236 1.00 94.25 ? 627 LEU B O 1 ATOM 4770 C CB . LEU A 1 609 ? -1.153 -20.128 -0.638 1.00 86.17 ? 627 LEU B CB 1 ATOM 4771 C CG . LEU A 1 609 ? -0.633 -18.928 0.156 1.00 79.27 ? 627 LEU B CG 1 ATOM 4772 C CD1 . LEU A 1 609 ? -1.354 -18.814 1.488 1.00 72.92 ? 627 LEU B CD1 1 ATOM 4773 C CD2 . LEU A 1 609 ? 0.870 -19.037 0.367 1.00 79.70 ? 627 LEU B CD2 1 ATOM 4774 N N . GLU A 1 610 ? -3.284 -20.976 -2.921 1.00 110.24 ? 628 GLU B N 1 ATOM 4775 C CA . GLU A 1 610 ? -3.836 -20.734 -4.255 1.00 111.43 ? 628 GLU B CA 1 ATOM 4776 C C . GLU A 1 610 ? -5.337 -20.974 -4.316 1.00 97.02 ? 628 GLU B C 1 ATOM 4777 O O . GLU A 1 610 ? -5.864 -21.464 -5.317 1.00 98.46 ? 628 GLU B O 1 ATOM 4778 C CB . GLU A 1 610 ? -3.102 -21.575 -5.297 1.00 123.45 ? 628 GLU B CB 1 ATOM 4779 C CG . GLU A 1 610 ? -2.807 -23.009 -4.902 1.00 131.67 ? 628 GLU B CG 1 ATOM 4780 C CD . GLU A 1 610 ? -1.908 -23.707 -5.912 1.00 139.21 ? 628 GLU B CD 1 ATOM 4781 O OE1 . GLU A 1 610 ? -1.488 -23.049 -6.889 1.00 141.73 ? 628 GLU B OE1 1 ATOM 4782 O OE2 . GLU A 1 610 ? -1.621 -24.909 -5.731 1.00 141.60 ? 628 GLU B OE2 1 ATOM 4783 N N . LYS A 1 611 ? -6.053 -20.640 -3.244 1.00 82.11 ? 629 LYS B N 1 ATOM 4784 C CA . LYS A 1 611 ? -7.495 -20.468 -3.338 1.00 70.10 ? 629 LYS B CA 1 ATOM 4785 C C . LYS A 1 611 ? -7.854 -19.084 -3.853 1.00 60.34 ? 629 LYS B C 1 ATOM 4786 O O . LYS A 1 611 ? -9.000 -18.856 -4.249 1.00 57.31 ? 629 LYS B O 1 ATOM 4787 C CB . LYS A 1 611 ? -8.152 -20.694 -1.975 1.00 73.73 ? 629 LYS B CB 1 ATOM 4788 C CG . LYS A 1 611 ? -8.299 -19.423 -1.140 1.00 79.87 ? 629 LYS B CG 1 ATOM 4789 C CD . LYS A 1 611 ? -8.673 -19.730 0.306 1.00 84.92 ? 629 LYS B CD 1 ATOM 4790 C CE . LYS A 1 611 ? -9.186 -18.489 1.029 1.00 84.79 ? 629 LYS B CE 1 ATOM 4791 N NZ . LYS A 1 611 ? -8.285 -17.319 0.842 1.00 84.92 ? 629 LYS B NZ 1 ATOM 4792 N N . SER A 1 612 ? -6.897 -18.157 -3.845 1.00 57.28 ? 630 SER B N 1 ATOM 4793 C CA . SER A 1 612 ? -7.118 -16.807 -4.338 1.00 59.09 ? 630 SER B CA 1 ATOM 4794 C C . SER A 1 612 ? -7.066 -16.727 -5.855 1.00 53.72 ? 630 SER B C 1 ATOM 4795 O O . SER A 1 612 ? -7.419 -15.684 -6.416 1.00 57.34 ? 630 SER B O 1 ATOM 4796 C CB . SER A 1 612 ? -6.086 -15.855 -3.730 1.00 59.64 ? 630 SER B CB 1 ATOM 4797 O OG . SER A 1 612 ? -4.771 -16.297 -4.012 1.00 59.81 ? 630 SER B OG 1 ATOM 4798 N N . ASP A 1 613 ? -6.624 -17.789 -6.522 1.00 48.55 ? 631 ASP B N 1 ATOM 4799 C CA . ASP A 1 613 ? -6.710 -17.883 -7.974 1.00 50.15 ? 631 ASP B CA 1 ATOM 4800 C C . ASP A 1 613 ? -8.170 -18.049 -8.373 1.00 46.85 ? 631 ASP B C 1 ATOM 4801 O O . ASP A 1 613 ? -8.781 -19.088 -8.096 1.00 44.25 ? 631 ASP B O 1 ATOM 4802 C CB . ASP A 1 613 ? -5.865 -19.051 -8.472 1.00 57.68 ? 631 ASP B CB 1 ATOM 4803 C CG . ASP A 1 613 ? -6.126 -19.387 -9.932 1.00 63.59 ? 631 ASP B CG 1 ATOM 4804 O OD1 . ASP A 1 613 ? -6.342 -18.457 -10.739 1.00 61.87 ? 631 ASP B OD1 1 ATOM 4805 O OD2 . ASP A 1 613 ? -6.111 -20.589 -10.270 1.00 66.75 ? 631 ASP B OD2 1 ATOM 4806 N N . LEU A 1 614 ? -8.731 -17.024 -9.022 1.00 41.97 ? 632 LEU B N 1 ATOM 4807 C CA . LEU A 1 614 ? -10.134 -17.025 -9.415 1.00 41.66 ? 632 LEU B CA 1 ATOM 4808 C C . LEU A 1 614 ? -10.403 -17.842 -10.673 1.00 48.75 ? 632 LEU B C 1 ATOM 4809 O O . LEU A 1 614 ? -11.564 -17.954 -11.083 1.00 49.56 ? 632 LEU B O 1 ATOM 4810 C CB . LEU A 1 614 ? -10.616 -15.587 -9.614 1.00 43.92 ? 632 LEU B CB 1 ATOM 4811 C CG . LEU A 1 614 ? -10.442 -14.659 -8.407 1.00 44.67 ? 632 LEU B CG 1 ATOM 4812 C CD1 . LEU A 1 614 ? -10.987 -13.266 -8.693 1.00 44.52 ? 632 LEU B CD1 1 ATOM 4813 C CD2 . LEU A 1 614 ? -11.100 -15.249 -7.170 1.00 35.43 ? 632 LEU B CD2 1 ATOM 4814 N N . GLY A 1 615 ? -9.367 -18.418 -11.293 1.00 49.72 ? 633 GLY B N 1 ATOM 4815 C CA . GLY A 1 615 ? -9.558 -19.277 -12.439 1.00 48.86 ? 633 GLY B CA 1 ATOM 4816 C C . GLY A 1 615 ? -9.847 -20.721 -12.058 1.00 50.83 ? 633 GLY B C 1 ATOM 4817 O O . GLY A 1 615 ? -9.657 -21.144 -10.919 1.00 51.98 ? 633 GLY B O 1 ATOM 4818 N N . CYS A 1 616 ? -10.316 -21.481 -13.046 1.00 51.83 ? 634 CYS B N 1 ATOM 4819 C CA . CYS A 1 616 ? -10.684 -22.876 -12.861 1.00 52.02 ? 634 CYS B CA 1 ATOM 4820 C C . CYS A 1 616 ? -10.254 -23.678 -14.081 1.00 53.20 ? 634 CYS B C 1 ATOM 4821 O O . CYS A 1 616 ? -10.108 -23.140 -15.182 1.00 53.39 ? 634 CYS B O 1 ATOM 4822 C CB . CYS A 1 616 ? -12.195 -23.042 -12.645 1.00 55.81 ? 634 CYS B CB 1 ATOM 4823 S SG . CYS A 1 616 ? -12.910 -21.923 -11.424 1.00 63.08 ? 634 CYS B SG 1 ATOM 4824 N N . GLY A 1 617 ? -10.059 -24.977 -13.873 1.00 50.56 ? 635 GLY B N 1 ATOM 4825 C CA . GLY A 1 617 ? -9.776 -25.880 -14.966 1.00 50.26 ? 635 GLY B CA 1 ATOM 4826 C C . GLY A 1 617 ? -8.392 -25.665 -15.553 1.00 52.79 ? 635 GLY B C 1 ATOM 4827 O O . GLY A 1 617 ? -7.582 -24.882 -15.060 1.00 48.87 ? 635 GLY B O 1 ATOM 4828 N N . ALA A 1 618 ? -8.132 -26.386 -16.642 1.00 56.51 ? 636 ALA B N 1 ATOM 4829 C CA . ALA A 1 618 ? -6.835 -26.327 -17.304 1.00 58.28 ? 636 ALA B CA 1 ATOM 4830 C C . ALA A 1 618 ? -6.756 -25.246 -18.375 1.00 62.97 ? 636 ALA B C 1 ATOM 4831 O O . ALA A 1 618 ? -5.712 -25.115 -19.023 1.00 71.14 ? 636 ALA B O 1 ATOM 4832 C CB . ALA A 1 618 ? -6.492 -27.687 -17.917 1.00 48.52 ? 636 ALA B CB 1 ATOM 4833 N N . GLY A 1 619 ? -7.814 -24.471 -18.573 1.00 56.32 ? 637 GLY B N 1 ATOM 4834 C CA . GLY A 1 619 ? -7.830 -23.410 -19.559 1.00 54.13 ? 637 GLY B CA 1 ATOM 4835 C C . GLY A 1 619 ? -8.886 -23.642 -20.621 1.00 53.49 ? 637 GLY B C 1 ATOM 4836 O O . GLY A 1 619 ? -9.598 -24.644 -20.626 1.00 56.53 ? 637 GLY B O 1 ATOM 4837 N N . GLY A 1 620 ? -8.977 -22.679 -21.532 1.00 51.90 ? 638 GLY B N 1 ATOM 4838 C CA . GLY A 1 620 ? -9.937 -22.754 -22.614 1.00 55.63 ? 638 GLY B CA 1 ATOM 4839 C C . GLY A 1 620 ? -11.263 -22.108 -22.262 1.00 56.75 ? 638 GLY B C 1 ATOM 4840 O O . GLY A 1 620 ? -11.385 -21.327 -21.315 1.00 56.91 ? 638 GLY B O 1 ATOM 4841 N N . GLY A 1 621 ? -12.279 -22.447 -23.055 1.00 57.61 ? 639 GLY B N 1 ATOM 4842 C CA . GLY A 1 621 ? -13.610 -21.918 -22.833 1.00 46.65 ? 639 GLY B CA 1 ATOM 4843 C C . GLY A 1 621 ? -14.544 -22.134 -24.004 1.00 50.73 ? 639 GLY B C 1 ATOM 4844 O O . GLY A 1 621 ? -14.092 -22.392 -25.122 1.00 54.60 ? 639 GLY B O 1 ATOM 4845 N N . LEU A 1 622 ? -15.853 -22.034 -23.756 1.00 48.07 ? 640 LEU B N 1 ATOM 4846 C CA . LEU A 1 622 ? -16.830 -22.191 -24.830 1.00 48.08 ? 640 LEU B CA 1 ATOM 4847 C C . LEU A 1 622 ? -16.738 -21.061 -25.849 1.00 54.82 ? 640 LEU B C 1 ATOM 4848 O O . LEU A 1 622 ? -17.033 -21.267 -27.032 1.00 49.82 ? 640 LEU B O 1 ATOM 4849 C CB . LEU A 1 622 ? -18.242 -22.257 -24.251 1.00 47.46 ? 640 LEU B CB 1 ATOM 4850 C CG . LEU A 1 622 ? -18.561 -23.424 -23.319 1.00 54.72 ? 640 LEU B CG 1 ATOM 4851 C CD1 . LEU A 1 622 ? -19.997 -23.331 -22.835 1.00 52.75 ? 640 LEU B CD1 1 ATOM 4852 C CD2 . LEU A 1 622 ? -18.314 -24.752 -24.015 1.00 59.07 ? 640 LEU B CD2 1 ATOM 4853 N N . ASN A 1 623 ? -16.360 -19.866 -25.409 1.00 52.91 ? 641 ASN B N 1 ATOM 4854 C CA . ASN A 1 623 ? -16.147 -18.733 -26.299 1.00 53.62 ? 641 ASN B CA 1 ATOM 4855 C C . ASN A 1 623 ? -15.159 -17.788 -25.623 1.00 53.62 ? 641 ASN B C 1 ATOM 4856 O O . ASN A 1 623 ? -14.548 -18.128 -24.606 1.00 54.74 ? 641 ASN B O 1 ATOM 4857 C CB . ASN A 1 623 ? -17.479 -18.055 -26.658 1.00 53.54 ? 641 ASN B CB 1 ATOM 4858 C CG . ASN A 1 623 ? -18.264 -17.596 -25.437 1.00 52.04 ? 641 ASN B CG 1 ATOM 4859 O OD1 . ASN A 1 623 ? -17.699 -17.315 -24.380 1.00 53.75 ? 641 ASN B OD1 1 ATOM 4860 N ND2 . ASN A 1 623 ? -19.581 -17.513 -25.586 1.00 46.81 ? 641 ASN B ND2 1 ATOM 4861 N N . ASN A 1 624 ? -15.005 -16.592 -26.192 1.00 54.38 ? 642 ASN B N 1 ATOM 4862 C CA . ASN A 1 624 ? -14.054 -15.633 -25.641 1.00 54.56 ? 642 ASN B CA 1 ATOM 4863 C C . ASN A 1 624 ? -14.405 -15.270 -24.202 1.00 50.64 ? 642 ASN B C 1 ATOM 4864 O O . ASN A 1 624 ? -13.550 -15.318 -23.309 1.00 51.86 ? 642 ASN B O 1 ATOM 4865 C CB . ASN A 1 624 ? -14.008 -14.382 -26.516 1.00 47.97 ? 642 ASN B CB 1 ATOM 4866 C CG . ASN A 1 624 ? -13.212 -13.266 -25.882 1.00 48.16 ? 642 ASN B CG 1 ATOM 4867 O OD1 . ASN A 1 624 ? -11.983 -13.305 -25.855 1.00 48.07 ? 642 ASN B OD1 1 ATOM 4868 N ND2 . ASN A 1 624 ? -13.911 -12.264 -25.359 1.00 46.83 ? 642 ASN B ND2 1 ATOM 4869 N N . ALA A 1 625 ? -15.667 -14.907 -23.962 1.00 51.22 ? 643 ALA B N 1 ATOM 4870 C CA . ALA A 1 625 ? -16.083 -14.521 -22.619 1.00 43.94 ? 643 ALA B CA 1 ATOM 4871 C C . ALA A 1 625 ? -15.870 -15.659 -21.630 1.00 48.16 ? 643 ALA B C 1 ATOM 4872 O O . ALA A 1 625 ? -15.446 -15.429 -20.493 1.00 42.41 ? 643 ALA B O 1 ATOM 4873 C CB . ALA A 1 625 ? -17.545 -14.076 -22.626 1.00 43.76 ? 643 ALA B CB 1 ATOM 4874 N N . ASN A 1 626 ? -16.139 -16.897 -22.053 1.00 46.04 ? 644 ASN B N 1 ATOM 4875 C CA . ASN A 1 626 ? -15.905 -18.038 -21.178 1.00 46.97 ? 644 ASN B CA 1 ATOM 4876 C C . ASN A 1 626 ? -14.417 -18.272 -20.946 1.00 48.95 ? 644 ASN B C 1 ATOM 4877 O O . ASN A 1 626 ? -14.027 -18.726 -19.864 1.00 50.49 ? 644 ASN B O 1 ATOM 4878 C CB . ASN A 1 626 ? -16.563 -19.288 -21.762 1.00 50.21 ? 644 ASN B CB 1 ATOM 4879 C CG . ASN A 1 626 ? -16.597 -20.440 -20.777 1.00 54.28 ? 644 ASN B CG 1 ATOM 4880 O OD1 . ASN A 1 626 ? -16.301 -21.582 -21.128 1.00 58.18 ? 644 ASN B OD1 1 ATOM 4881 N ND2 . ASN A 1 626 ? -16.952 -20.143 -19.532 1.00 55.22 ? 644 ASN B ND2 1 ATOM 4882 N N . VAL A 1 627 ? -13.575 -17.975 -21.938 1.00 48.84 ? 645 VAL B N 1 ATOM 4883 C CA . VAL A 1 627 ? -12.130 -18.074 -21.741 1.00 47.03 ? 645 VAL B CA 1 ATOM 4884 C C . VAL A 1 627 ? -11.676 -17.089 -20.673 1.00 48.68 ? 645 VAL B C 1 ATOM 4885 O O . VAL A 1 627 ? -10.902 -17.433 -19.770 1.00 43.42 ? 645 VAL B O 1 ATOM 4886 C CB . VAL A 1 627 ? -11.390 -17.845 -23.071 1.00 46.26 ? 645 VAL B CB 1 ATOM 4887 C CG1 . VAL A 1 627 ? -9.918 -17.594 -22.825 1.00 46.68 ? 645 VAL B CG1 1 ATOM 4888 C CG2 . VAL A 1 627 ? -11.568 -19.042 -23.982 1.00 52.85 ? 645 VAL B CG2 1 ATOM 4889 N N . PHE A 1 628 ? -12.154 -15.845 -20.758 1.00 49.52 ? 646 PHE B N 1 ATOM 4890 C CA . PHE A 1 628 ? -11.799 -14.856 -19.744 1.00 48.82 ? 646 PHE B CA 1 ATOM 4891 C C . PHE A 1 628 ? -12.337 -15.250 -18.374 1.00 45.43 ? 646 PHE B C 1 ATOM 4892 O O . PHE A 1 628 ? -11.646 -15.104 -17.360 1.00 41.02 ? 646 PHE B O 1 ATOM 4893 C CB . PHE A 1 628 ? -12.321 -13.481 -20.149 1.00 42.91 ? 646 PHE B CB 1 ATOM 4894 C CG . PHE A 1 628 ? -11.396 -12.732 -21.051 1.00 48.28 ? 646 PHE B CG 1 ATOM 4895 C CD1 . PHE A 1 628 ? -11.286 -13.070 -22.390 1.00 51.54 ? 646 PHE B CD1 1 ATOM 4896 C CD2 . PHE A 1 628 ? -10.632 -11.686 -20.561 1.00 50.25 ? 646 PHE B CD2 1 ATOM 4897 C CE1 . PHE A 1 628 ? -10.432 -12.380 -23.223 1.00 55.11 ? 646 PHE B CE1 1 ATOM 4898 C CE2 . PHE A 1 628 ? -9.777 -10.991 -21.388 1.00 53.79 ? 646 PHE B CE2 1 ATOM 4899 C CZ . PHE A 1 628 ? -9.676 -11.339 -22.723 1.00 57.14 ? 646 PHE B CZ 1 ATOM 4900 N N . HIS A 1 629 ? -13.567 -15.760 -18.329 1.00 44.28 ? 647 HIS B N 1 ATOM 4901 C CA . HIS A 1 629 ? -14.184 -16.133 -17.062 1.00 41.95 ? 647 HIS B CA 1 ATOM 4902 C C . HIS A 1 629 ? -13.431 -17.272 -16.388 1.00 45.59 ? 647 HIS B C 1 ATOM 4903 O O . HIS A 1 629 ? -13.125 -17.205 -15.191 1.00 43.05 ? 647 HIS B O 1 ATOM 4904 C CB . HIS A 1 629 ? -15.641 -16.519 -17.296 1.00 40.16 ? 647 HIS B CB 1 ATOM 4905 C CG . HIS A 1 629 ? -16.297 -17.139 -16.104 1.00 48.46 ? 647 HIS B CG 1 ATOM 4906 N ND1 . HIS A 1 629 ? -16.553 -16.436 -14.947 1.00 43.49 ? 647 HIS B ND1 1 ATOM 4907 C CD2 . HIS A 1 629 ? -16.749 -18.397 -15.889 1.00 39.45 ? 647 HIS B CD2 1 ATOM 4908 C CE1 . HIS A 1 629 ? -17.140 -17.233 -14.072 1.00 43.15 ? 647 HIS B CE1 1 ATOM 4909 N NE2 . HIS A 1 629 ? -17.270 -18.429 -14.620 1.00 42.63 ? 647 HIS B NE2 1 ATOM 4910 N N . LEU A 1 630 ? -13.128 -18.333 -17.140 1.00 43.19 ? 648 LEU B N 1 ATOM 4911 C CA . LEU A 1 630 ? -12.427 -19.472 -16.563 1.00 40.76 ? 648 LEU B CA 1 ATOM 4912 C C . LEU A 1 630 ? -10.999 -19.135 -16.169 1.00 48.29 ? 648 LEU B C 1 ATOM 4913 O O . LEU A 1 630 ? -10.380 -19.899 -15.423 1.00 52.24 ? 648 LEU B O 1 ATOM 4914 C CB . LEU A 1 630 ? -12.436 -20.644 -17.539 1.00 41.84 ? 648 LEU B CB 1 ATOM 4915 C CG . LEU A 1 630 ? -13.815 -21.230 -17.823 1.00 45.63 ? 648 LEU B CG 1 ATOM 4916 C CD1 . LEU A 1 630 ? -13.709 -22.393 -18.800 1.00 43.21 ? 648 LEU B CD1 1 ATOM 4917 C CD2 . LEU A 1 630 ? -14.468 -21.662 -16.519 1.00 40.98 ? 648 LEU B CD2 1 ATOM 4918 N N . ALA A 1 631 ? -10.465 -18.017 -16.641 1.00 46.52 ? 649 ALA B N 1 ATOM 4919 C CA . ALA A 1 631 ? -9.154 -17.553 -16.216 1.00 45.47 ? 649 ALA B CA 1 ATOM 4920 C C . ALA A 1 631 ? -9.225 -16.610 -15.021 1.00 47.73 ? 649 ALA B C 1 ATOM 4921 O O . ALA A 1 631 ? -8.179 -16.156 -14.549 1.00 50.03 ? 649 ALA B O 1 ATOM 4922 C CB . ALA A 1 631 ? -8.439 -16.862 -17.379 1.00 43.18 ? 649 ALA B CB 1 ATOM 4923 N N . GLY A 1 632 ? -10.423 -16.313 -14.522 1.00 45.57 ? 650 GLY B N 1 ATOM 4924 C CA . GLY A 1 632 ? -10.569 -15.422 -13.385 1.00 41.73 ? 650 GLY B CA 1 ATOM 4925 C C . GLY A 1 632 ? -10.498 -13.952 -13.735 1.00 45.13 ? 650 GLY B C 1 ATOM 4926 O O . GLY A 1 632 ? -9.897 -13.169 -12.989 1.00 47.62 ? 650 GLY B O 1 ATOM 4927 N N . LEU A 1 633 ? -11.108 -13.551 -14.848 1.00 48.37 ? 651 LEU B N 1 ATOM 4928 C CA . LEU A 1 633 ? -11.002 -12.199 -15.374 1.00 44.11 ? 651 LEU B CA 1 ATOM 4929 C C . LEU A 1 633 ? -12.376 -11.674 -15.760 1.00 45.29 ? 651 LEU B C 1 ATOM 4930 O O . LEU A 1 633 ? -13.207 -12.410 -16.300 1.00 49.56 ? 651 LEU B O 1 ATOM 4931 C CB . LEU A 1 633 ? -10.081 -12.154 -16.607 1.00 41.34 ? 651 LEU B CB 1 ATOM 4932 C CG . LEU A 1 633 ? -8.570 -12.258 -16.405 1.00 44.58 ? 651 LEU B CG 1 ATOM 4933 C CD1 . LEU A 1 633 ? -7.870 -12.507 -17.727 1.00 43.26 ? 651 LEU B CD1 1 ATOM 4934 C CD2 . LEU A 1 633 ? -8.046 -10.985 -15.774 1.00 44.58 ? 651 LEU B CD2 1 ATOM 4935 N N . THR A 1 634 ? -12.613 -10.402 -15.470 1.00 43.41 ? 652 THR B N 1 ATOM 4936 C CA . THR A 1 634 ? -13.660 -9.634 -16.122 1.00 45.02 ? 652 THR B CA 1 ATOM 4937 C C . THR A 1 634 ? -12.999 -8.662 -17.086 1.00 45.94 ? 652 THR B C 1 ATOM 4938 O O . THR A 1 634 ? -11.853 -8.248 -16.884 1.00 44.90 ? 652 THR B O 1 ATOM 4939 C CB . THR A 1 634 ? -14.525 -8.866 -15.118 1.00 49.84 ? 652 THR B CB 1 ATOM 4940 O OG1 . THR A 1 634 ? -13.686 -8.279 -14.121 1.00 58.27 ? 652 THR B OG1 1 ATOM 4941 C CG2 . THR A 1 634 ? -15.538 -9.786 -14.454 1.00 48.71 ? 652 THR B CG2 1 ATOM 4942 N N . PHE A 1 635 ? -13.722 -8.309 -18.143 1.00 42.02 ? 653 PHE B N 1 ATOM 4943 C CA . PHE A 1 635 ? -13.166 -7.458 -19.180 1.00 43.16 ? 653 PHE B CA 1 ATOM 4944 C C . PHE A 1 635 ? -14.234 -6.490 -19.667 1.00 47.80 ? 653 PHE B C 1 ATOM 4945 O O . PHE A 1 635 ? -15.432 -6.775 -19.592 1.00 45.65 ? 653 PHE B O 1 ATOM 4946 C CB . PHE A 1 635 ? -12.603 -8.301 -20.337 1.00 43.86 ? 653 PHE B CB 1 ATOM 4947 C CG . PHE A 1 635 ? -13.623 -9.186 -21.002 1.00 56.57 ? 653 PHE B CG 1 ATOM 4948 C CD1 . PHE A 1 635 ? -14.019 -10.380 -20.419 1.00 58.40 ? 653 PHE B CD1 1 ATOM 4949 C CD2 . PHE A 1 635 ? -14.179 -8.827 -22.220 1.00 49.92 ? 653 PHE B CD2 1 ATOM 4950 C CE1 . PHE A 1 635 ? -14.961 -11.194 -21.035 1.00 54.73 ? 653 PHE B CE1 1 ATOM 4951 C CE2 . PHE A 1 635 ? -15.117 -9.635 -22.839 1.00 46.32 ? 653 PHE B CE2 1 ATOM 4952 C CZ . PHE A 1 635 ? -15.508 -10.819 -22.247 1.00 51.25 ? 653 PHE B CZ 1 ATOM 4953 N N . LEU A 1 636 ? -13.778 -5.329 -20.139 1.00 48.93 ? 654 LEU B N 1 ATOM 4954 C CA . LEU A 1 636 ? -14.613 -4.301 -20.749 1.00 53.14 ? 654 LEU B CA 1 ATOM 4955 C C . LEU A 1 636 ? -14.149 -4.114 -22.185 1.00 61.39 ? 654 LEU B C 1 ATOM 4956 O O . LEU A 1 636 ? -12.967 -3.848 -22.423 1.00 61.98 ? 654 LEU B O 1 ATOM 4957 C CB . LEU A 1 636 ? -14.511 -2.981 -19.983 1.00 56.71 ? 654 LEU B CB 1 ATOM 4958 C CG . LEU A 1 636 ? -14.895 -3.050 -18.513 1.00 59.90 ? 654 LEU B CG 1 ATOM 4959 C CD1 . LEU A 1 636 ? -14.905 -1.671 -17.892 1.00 57.07 ? 654 LEU B CD1 1 ATOM 4960 C CD2 . LEU A 1 636 ? -16.254 -3.677 -18.422 1.00 66.95 ? 654 LEU B CD2 1 ATOM 4961 N N . THR A 1 637 ? -15.069 -4.249 -23.137 1.00 67.29 ? 655 THR B N 1 ATOM 4962 C CA . THR A 1 637 ? -14.698 -4.204 -24.544 1.00 64.90 ? 655 THR B CA 1 ATOM 4963 C C . THR A 1 637 ? -15.838 -3.619 -25.359 1.00 65.51 ? 655 THR B C 1 ATOM 4964 O O . THR A 1 637 ? -17.013 -3.818 -25.039 1.00 69.14 ? 655 THR B O 1 ATOM 4965 C CB . THR A 1 637 ? -14.357 -5.598 -25.091 1.00 63.76 ? 655 THR B CB 1 ATOM 4966 O OG1 . THR A 1 637 ? -13.716 -6.372 -24.072 1.00 74.50 ? 655 THR B OG1 1 ATOM 4967 C CG2 . THR A 1 637 ? -13.420 -5.489 -26.261 1.00 58.51 ? 655 THR B CG2 1 ATOM 4968 N N . ASN A 1 638 ? -15.478 -2.893 -26.418 1.00 62.59 ? 656 ASN B N 1 ATOM 4969 C CA . ASN A 1 638 ? -16.442 -2.554 -27.456 1.00 59.18 ? 656 ASN B CA 1 ATOM 4970 C C . ASN A 1 638 ? -16.655 -3.700 -28.434 1.00 53.20 ? 656 ASN B C 1 ATOM 4971 O O . ASN A 1 638 ? -17.587 -3.640 -29.244 1.00 53.67 ? 656 ASN B O 1 ATOM 4972 C CB . ASN A 1 638 ? -16.007 -1.297 -28.219 1.00 59.15 ? 656 ASN B CB 1 ATOM 4973 C CG . ASN A 1 638 ? -14.554 -1.346 -28.663 1.00 58.86 ? 656 ASN B CG 1 ATOM 4974 O OD1 . ASN A 1 638 ? -13.870 -2.359 -28.508 1.00 63.24 ? 656 ASN B OD1 1 ATOM 4975 N ND2 . ASN A 1 638 ? -14.078 -0.242 -29.223 1.00 57.36 ? 656 ASN B ND2 1 ATOM 4976 N N . ALA A 1 639 ? -15.817 -4.733 -28.371 1.00 51.24 ? 657 ALA B N 1 ATOM 4977 C CA . ALA A 1 639 ? -16.009 -5.944 -29.149 1.00 54.04 ? 657 ALA B CA 1 ATOM 4978 C C . ALA A 1 639 ? -17.149 -6.773 -28.558 1.00 57.35 ? 657 ALA B C 1 ATOM 4979 O O . ALA A 1 639 ? -17.747 -6.426 -27.534 1.00 53.98 ? 657 ALA B O 1 ATOM 4980 C CB . ALA A 1 639 ? -14.716 -6.753 -29.205 1.00 51.03 ? 657 ALA B CB 1 ATOM 4981 N N . ASN A 1 640 ? -17.451 -7.890 -29.218 1.00 60.05 ? 658 ASN B N 1 ATOM 4982 C CA . ASN A 1 640 ? -18.524 -8.763 -28.765 1.00 57.87 ? 658 ASN B CA 1 ATOM 4983 C C . ASN A 1 640 ? -18.223 -9.290 -27.367 1.00 54.28 ? 658 ASN B C 1 ATOM 4984 O O . ASN A 1 640 ? -17.139 -9.819 -27.109 1.00 50.64 ? 658 ASN B O 1 ATOM 4985 C CB . ASN A 1 640 ? -18.704 -9.921 -29.746 1.00 57.64 ? 658 ASN B CB 1 ATOM 4986 C CG . ASN A 1 640 ? -19.693 -10.952 -29.249 1.00 59.83 ? 658 ASN B CG 1 ATOM 4987 O OD1 . ASN A 1 640 ? -20.902 -10.798 -29.419 1.00 60.75 ? 658 ASN B OD1 1 ATOM 4988 N ND2 . ASN A 1 640 ? -19.183 -12.014 -28.635 1.00 54.55 ? 658 ASN B ND2 1 ATOM 4989 N N . ALA A 1 641 ? -19.185 -9.135 -26.459 1.00 54.63 ? 659 ALA B N 1 ATOM 4990 C CA . ALA A 1 641 ? -19.011 -9.541 -25.070 1.00 57.12 ? 659 ALA B CA 1 ATOM 4991 C C . ALA A 1 641 ? -20.114 -10.490 -24.619 1.00 58.95 ? 659 ALA B C 1 ATOM 4992 O O . ALA A 1 641 ? -20.443 -10.551 -23.431 1.00 60.19 ? 659 ALA B O 1 ATOM 4993 C CB . ALA A 1 641 ? -18.949 -8.322 -24.151 1.00 57.31 ? 659 ALA B CB 1 ATOM 4994 N N . ASP A 1 642 ? -20.693 -11.234 -25.561 1.00 56.93 ? 660 ASP B N 1 ATOM 4995 C CA . ASP A 1 642 ? -21.763 -12.170 -25.248 1.00 55.77 ? 660 ASP B CA 1 ATOM 4996 C C . ASP A 1 642 ? -21.265 -13.271 -24.321 1.00 55.74 ? 660 ASP B C 1 ATOM 4997 O O . ASP A 1 642 ? -20.477 -14.130 -24.726 1.00 56.55 ? 660 ASP B O 1 ATOM 4998 C CB . ASP A 1 642 ? -22.345 -12.770 -26.529 1.00 60.81 ? 660 ASP B CB 1 ATOM 4999 C CG . ASP A 1 642 ? -23.172 -11.771 -27.318 1.00 59.75 ? 660 ASP B CG 1 ATOM 5000 O OD1 . ASP A 1 642 ? -22.836 -10.565 -27.309 1.00 62.57 ? 660 ASP B OD1 1 ATOM 5001 O OD2 . ASP A 1 642 ? -24.162 -12.196 -27.945 1.00 53.19 ? 660 ASP B OD2 1 ATOM 5002 N N . ASP A 1 643 ? -21.709 -13.237 -23.073 1.00 59.70 ? 661 ASP B N 1 ATOM 5003 C CA . ASP A 1 643 ? -21.346 -14.205 -22.053 1.00 59.03 ? 661 ASP B CA 1 ATOM 5004 C C . ASP A 1 643 ? -22.584 -15.005 -21.665 1.00 61.21 ? 661 ASP B C 1 ATOM 5005 O O . ASP A 1 643 ? -23.695 -14.749 -22.140 1.00 61.91 ? 661 ASP B O 1 ATOM 5006 C CB . ASP A 1 643 ? -20.735 -13.500 -20.838 1.00 54.84 ? 661 ASP B CB 1 ATOM 5007 C CG . ASP A 1 643 ? -19.862 -14.419 -20.000 1.00 53.55 ? 661 ASP B CG 1 ATOM 5008 O OD1 . ASP A 1 643 ? -19.939 -15.653 -20.183 1.00 54.38 ? 661 ASP B OD1 1 ATOM 5009 O OD2 . ASP A 1 643 ? -19.100 -13.904 -19.155 1.00 52.44 ? 661 ASP B OD2 1 ATOM 5010 N N . SER A 1 644 ? -22.386 -15.975 -20.783 1.00 62.55 ? 662 SER B N 1 ATOM 5011 C CA . SER A 1 644 ? -23.488 -16.786 -20.286 1.00 68.03 ? 662 SER B CA 1 ATOM 5012 C C . SER A 1 644 ? -24.341 -15.951 -19.329 1.00 71.19 ? 662 SER B C 1 ATOM 5013 O O . SER A 1 644 ? -24.116 -14.756 -19.118 1.00 65.95 ? 662 SER B O 1 ATOM 5014 C CB . SER A 1 644 ? -22.958 -18.054 -19.625 1.00 65.37 ? 662 SER B CB 1 ATOM 5015 O OG . SER A 1 644 ? -22.189 -17.744 -18.476 1.00 62.54 ? 662 SER B OG 1 ATOM 5016 N N . GLN A 1 645 ? -25.335 -16.595 -18.729 1.00 80.78 ? 663 GLN B N 1 ATOM 5017 C CA . GLN A 1 645 ? -26.309 -15.916 -17.890 1.00 87.44 ? 663 GLN B CA 1 ATOM 5018 C C . GLN A 1 645 ? -25.845 -15.893 -16.440 1.00 87.92 ? 663 GLN B C 1 ATOM 5019 O O . GLN A 1 645 ? -25.254 -16.859 -15.949 1.00 93.18 ? 663 GLN B O 1 ATOM 5020 C CB . GLN A 1 645 ? -27.664 -16.613 -17.994 1.00 93.03 ? 663 GLN B CB 1 ATOM 5021 C CG . GLN A 1 645 ? -28.845 -15.679 -18.109 1.00 97.89 ? 663 GLN B CG 1 ATOM 5022 C CD . GLN A 1 645 ? -30.159 -16.427 -18.085 1.00 102.76 ? 663 GLN B CD 1 ATOM 5023 O OE1 . GLN A 1 645 ? -30.456 -17.214 -18.983 1.00 103.00 ? 663 GLN B OE1 1 ATOM 5024 N NE2 . GLN A 1 645 ? -30.948 -16.198 -17.043 1.00 104.69 ? 663 GLN B NE2 1 ATOM 5025 N N . GLU A 1 646 ? -26.117 -14.774 -15.761 1.00 86.91 ? 664 GLU B N 1 ATOM 5026 C CA . GLU A 1 646 ? -25.826 -14.619 -14.333 1.00 85.24 ? 664 GLU B CA 1 ATOM 5027 C C . GLU A 1 646 ? -24.356 -14.895 -14.025 1.00 82.32 ? 664 GLU B C 1 ATOM 5028 O O . GLU A 1 646 ? -24.014 -15.378 -12.943 1.00 83.49 ? 664 GLU B O 1 ATOM 5029 C CB . GLU A 1 646 ? -26.725 -15.524 -13.483 1.00 90.07 ? 664 GLU B CB 1 ATOM 5030 C CG . GLU A 1 646 ? -28.215 -15.434 -13.800 1.00 98.54 ? 664 GLU B CG 1 ATOM 5031 C CD . GLU A 1 646 ? -28.855 -14.153 -13.299 1.00 105.65 ? 664 GLU B CD 1 ATOM 5032 O OE1 . GLU A 1 646 ? -28.342 -13.572 -12.319 1.00 110.95 ? 664 GLU B OE1 1 ATOM 5033 O OE2 . GLU A 1 646 ? -29.874 -13.727 -13.886 1.00 105.06 ? 664 GLU B OE2 1 ATOM 5034 N N . ASN A 1 647 ? -23.474 -14.595 -14.979 1.00 79.40 ? 665 ASN B N 1 ATOM 5035 C CA . ASN A 1 647 ? -22.054 -14.923 -14.848 1.00 75.82 ? 665 ASN B CA 1 ATOM 5036 C C . ASN A 1 647 ? -21.345 -13.760 -14.161 1.00 74.00 ? 665 ASN B C 1 ATOM 5037 O O . ASN A 1 647 ? -20.649 -12.953 -14.777 1.00 79.85 ? 665 ASN B O 1 ATOM 5038 C CB . ASN A 1 647 ? -21.450 -15.237 -16.210 1.00 73.99 ? 665 ASN B CB 1 ATOM 5039 C CG . ASN A 1 647 ? -20.120 -15.952 -16.104 1.00 72.19 ? 665 ASN B CG 1 ATOM 5040 O OD1 . ASN A 1 647 ? -20.070 -17.169 -15.931 1.00 71.01 ? 665 ASN B OD1 1 ATOM 5041 N ND2 . ASN A 1 647 ? -19.032 -15.198 -16.207 1.00 74.73 ? 665 ASN B ND2 1 ATOM 5042 N N . ASP A 1 648 ? -21.531 -13.684 -12.852 1.00 71.95 ? 666 ASP B N 1 ATOM 5043 C CA . ASP A 1 648 ? -20.948 -12.634 -12.028 1.00 67.54 ? 666 ASP B CA 1 ATOM 5044 C C . ASP A 1 648 ? -20.036 -13.173 -10.939 1.00 55.00 ? 666 ASP B C 1 ATOM 5045 O O . ASP A 1 648 ? -18.996 -12.572 -10.656 1.00 49.50 ? 666 ASP B O 1 ATOM 5046 C CB . ASP A 1 648 ? -22.060 -11.788 -11.391 1.00 74.15 ? 666 ASP B CB 1 ATOM 5047 C CG . ASP A 1 648 ? -21.742 -10.309 -11.399 1.00 83.96 ? 666 ASP B CG 1 ATOM 5048 O OD1 . ASP A 1 648 ? -20.551 -9.958 -11.548 1.00 90.59 ? 666 ASP B OD1 1 ATOM 5049 O OD2 . ASP A 1 648 ? -22.680 -9.497 -11.255 1.00 87.43 ? 666 ASP B OD2 1 ATOM 5050 N N . GLU A 1 649 ? -20.398 -14.289 -10.317 1.00 51.42 ? 667 GLU B N 1 ATOM 5051 C CA . GLU A 1 649 ? -19.518 -14.916 -9.354 1.00 53.95 ? 667 GLU B CA 1 ATOM 5052 C C . GLU A 1 649 ? -18.387 -15.633 -10.084 1.00 51.89 ? 667 GLU B C 1 ATOM 5053 O O . GLU A 1 649 ? -18.524 -15.991 -11.257 1.00 56.07 ? 667 GLU B O 1 ATOM 5054 C CB . GLU A 1 649 ? -20.298 -15.896 -8.483 1.00 58.94 ? 667 GLU B CB 1 ATOM 5055 C CG . GLU A 1 649 ? -21.311 -15.230 -7.572 1.00 67.72 ? 667 GLU B CG 1 ATOM 5056 C CD . GLU A 1 649 ? -20.656 -14.451 -6.452 1.00 77.77 ? 667 GLU B CD 1 ATOM 5057 O OE1 . GLU A 1 649 ? -19.721 -14.989 -5.819 1.00 79.28 ? 667 GLU B OE1 1 ATOM 5058 O OE2 . GLU A 1 649 ? -21.072 -13.299 -6.208 1.00 83.26 ? 667 GLU B OE2 1 ATOM 5059 N N . PRO A 1 650 ? -17.250 -15.836 -9.419 1.00 44.34 ? 668 PRO B N 1 ATOM 5060 C CA . PRO A 1 650 ? -16.163 -16.594 -10.046 1.00 43.69 ? 668 PRO B CA 1 ATOM 5061 C C . PRO A 1 650 ? -16.578 -18.033 -10.316 1.00 45.34 ? 668 PRO B C 1 ATOM 5062 O O . PRO A 1 650 ? -17.485 -18.581 -9.685 1.00 48.20 ? 668 PRO B O 1 ATOM 5063 C CB . PRO A 1 650 ? -15.032 -16.531 -9.012 1.00 41.78 ? 668 PRO B CB 1 ATOM 5064 C CG . PRO A 1 650 ? -15.377 -15.400 -8.122 1.00 41.20 ? 668 PRO B CG 1 ATOM 5065 C CD . PRO A 1 650 ? -16.871 -15.329 -8.091 1.00 41.48 ? 668 PRO B CD 1 ATOM 5066 N N . CYS A 1 651 ? -15.891 -18.649 -11.272 1.00 44.72 ? 669 CYS B N 1 ATOM 5067 C CA . CYS A 1 651 ? -16.138 -20.050 -11.570 1.00 51.59 ? 669 CYS B CA 1 ATOM 5068 C C . CYS A 1 651 ? -15.853 -20.912 -10.341 1.00 51.39 ? 669 CYS B C 1 ATOM 5069 O O . CYS A 1 651 ? -15.119 -20.523 -9.427 1.00 43.96 ? 669 CYS B O 1 ATOM 5070 C CB . CYS A 1 651 ? -15.276 -20.507 -12.748 1.00 51.88 ? 669 CYS B CB 1 ATOM 5071 S SG . CYS A 1 651 ? -13.496 -20.289 -12.494 1.00 60.15 ? 669 CYS B SG 1 ATOM 5072 N N . LYS A 1 652 ? -16.449 -22.099 -10.323 1.00 56.73 ? 670 LYS B N 1 ATOM 5073 C CA . LYS A 1 652 ? -16.204 -23.078 -9.275 1.00 62.13 ? 670 LYS B CA 1 ATOM 5074 C C . LYS A 1 652 ? -15.567 -24.312 -9.896 1.00 66.67 ? 670 LYS B C 1 ATOM 5075 O O . LYS A 1 652 ? -16.091 -24.860 -10.873 1.00 72.10 ? 670 LYS B O 1 ATOM 5076 C CB . LYS A 1 652 ? -17.499 -23.440 -8.544 1.00 63.90 ? 670 LYS B CB 1 ATOM 5077 C CG . LYS A 1 652 ? -18.255 -22.226 -8.025 1.00 70.76 ? 670 LYS B CG 1 ATOM 5078 C CD . LYS A 1 652 ? -18.932 -22.505 -6.692 1.00 73.88 ? 670 LYS B CD 1 ATOM 5079 C CE . LYS A 1 652 ? -19.634 -21.262 -6.164 1.00 75.34 ? 670 LYS B CE 1 ATOM 5080 N NZ . LYS A 1 652 ? -20.151 -21.453 -4.779 1.00 75.40 ? 670 LYS B NZ 1 ATOM 5081 N N . GLU A 1 653 ? -14.430 -24.731 -9.341 1.00 65.92 ? 671 GLU B N 1 ATOM 5082 C CA . GLU A 1 653 ? -13.746 -25.920 -9.832 1.00 66.31 ? 671 GLU B CA 1 ATOM 5083 C C . GLU A 1 653 ? -14.671 -27.127 -9.740 1.00 71.42 ? 671 GLU B C 1 ATOM 5084 O O . GLU A 1 653 ? -15.244 -27.402 -8.682 1.00 71.55 ? 671 GLU B O 1 ATOM 5085 C CB . GLU A 1 653 ? -12.473 -26.164 -9.022 1.00 61.73 ? 671 GLU B CB 1 ATOM 5086 C CG . GLU A 1 653 ? -11.517 -27.163 -9.647 1.00 65.28 ? 671 GLU B CG 1 ATOM 5087 C CD . GLU A 1 653 ? -10.680 -26.552 -10.755 1.00 73.37 ? 671 GLU B CD 1 ATOM 5088 O OE1 . GLU A 1 653 ? -10.316 -25.361 -10.640 1.00 75.28 ? 671 GLU B OE1 1 ATOM 5089 O OE2 . GLU A 1 653 ? -10.386 -27.260 -11.741 1.00 76.95 ? 671 GLU B OE2 1 ATOM 5090 N N . ILE A 1 654 ? -14.822 -27.849 -10.850 1.00 77.02 ? 672 ILE B N 1 ATOM 5091 C CA . ILE A 1 654 ? -15.791 -28.938 -10.898 1.00 84.46 ? 672 ILE B CA 1 ATOM 5092 C C . ILE A 1 654 ? -15.170 -30.208 -10.333 1.00 91.54 ? 672 ILE B C 1 ATOM 5093 O O . ILE A 1 654 ? -13.971 -30.469 -10.497 1.00 90.34 ? 672 ILE B O 1 ATOM 5094 C CB . ILE A 1 654 ? -16.307 -29.148 -12.334 1.00 83.39 ? 672 ILE B CB 1 ATOM 5095 C CG1 . ILE A 1 654 ? -15.442 -30.153 -13.092 1.00 83.03 ? 672 ILE B CG1 1 ATOM 5096 C CG2 . ILE A 1 654 ? -16.349 -27.826 -13.087 1.00 81.53 ? 672 ILE B CG2 1 ATOM 5097 C CD1 . ILE A 1 654 ? -16.160 -30.805 -14.236 1.00 84.07 ? 672 ILE B CD1 1 ATOM 5098 N N . LEU A 1 655 ? -15.986 -30.992 -9.635 1.00 99.98 ? 673 LEU B N 1 ATOM 5099 C CA . LEU A 1 655 ? -15.573 -32.263 -9.066 1.00 105.74 ? 673 LEU B CA 1 ATOM 5100 C C . LEU A 1 655 ? -16.353 -33.386 -9.737 1.00 105.11 ? 673 LEU B C 1 ATOM 5101 O O . LEU A 1 655 ? -17.421 -33.168 -10.315 1.00 105.39 ? 673 LEU B O 1 ATOM 5102 C CB . LEU A 1 655 ? -15.786 -32.292 -7.544 1.00 110.75 ? 673 LEU B CB 1 ATOM 5103 C CG . LEU A 1 655 ? -14.759 -31.613 -6.627 1.00 115.33 ? 673 LEU B CG 1 ATOM 5104 C CD1 . LEU A 1 655 ? -14.693 -30.107 -6.849 1.00 114.86 ? 673 LEU B CD1 1 ATOM 5105 C CD2 . LEU A 1 655 ? -15.061 -31.917 -5.163 1.00 118.10 ? 673 LEU B CD2 1 ATOM 5106 N N . ARG A 1 656 ? -15.806 -34.596 -9.663 1.00 102.36 ? 674 ARG B N 1 ATOM 5107 C CA . ARG A 1 656 ? -16.377 -35.723 -10.396 1.00 100.35 ? 674 ARG B CA 1 ATOM 5108 C C . ARG A 1 656 ? -16.632 -36.935 -9.496 1.00 98.98 ? 674 ARG B C 1 ATOM 5109 O O . ARG A 1 656 ? -17.696 -37.557 -9.549 1.00 96.57 ? 674 ARG B O 1 ATOM 5110 C CB . ARG A 1 656 ? -15.451 -36.103 -11.557 1.00 97.67 ? 674 ARG B CB 1 ATOM 5111 C CG . ARG A 1 656 ? -15.042 -34.908 -12.412 1.00 93.22 ? 674 ARG B CG 1 ATOM 5112 C CD . ARG A 1 656 ? -13.874 -35.217 -13.331 1.00 92.16 ? 674 ARG B CD 1 ATOM 5113 N NE . ARG A 1 656 ? -14.276 -36.007 -14.489 1.00 93.42 ? 674 ARG B NE 1 ATOM 5114 C CZ . ARG A 1 656 ? -13.949 -37.281 -14.673 1.00 93.05 ? 674 ARG B CZ 1 ATOM 5115 N NH1 . ARG A 1 656 ? -13.205 -37.910 -13.775 1.00 93.76 ? 674 ARG B NH1 1 ATOM 5116 N NH2 . ARG A 1 656 ? -14.359 -37.922 -15.760 1.00 92.32 ? 674 ARG B NH2 1 ATOM 5117 N N . LEU B 2 1 ? -27.773 -68.816 22.788 1.00 138.35 ? 679 LEU A N 1 ATOM 5118 C CA . LEU B 2 1 ? -27.133 -67.861 23.688 1.00 137.73 ? 679 LEU A CA 1 ATOM 5119 C C . LEU B 2 1 ? -26.899 -66.518 22.999 1.00 145.89 ? 679 LEU A C 1 ATOM 5120 O O . LEU B 2 1 ? -27.110 -65.461 23.597 1.00 144.58 ? 679 LEU A O 1 ATOM 5121 C CB . LEU B 2 1 ? -25.810 -68.421 24.217 1.00 128.91 ? 679 LEU A CB 1 ATOM 5122 C CG . LEU B 2 1 ? -25.874 -69.355 25.431 1.00 120.16 ? 679 LEU A CG 1 ATOM 5123 C CD1 . LEU B 2 1 ? -26.610 -68.686 26.588 1.00 113.07 ? 679 LEU A CD1 1 ATOM 5124 C CD2 . LEU B 2 1 ? -26.508 -70.699 25.081 1.00 120.16 ? 679 LEU A CD2 1 ATOM 5125 N N . GLN B 2 2 ? -26.454 -66.563 21.741 1.00 155.32 ? 680 GLN A N 1 ATOM 5126 C CA . GLN B 2 2 ? -26.291 -65.332 20.973 1.00 160.41 ? 680 GLN A CA 1 ATOM 5127 C C . GLN B 2 2 ? -27.642 -64.701 20.662 1.00 159.07 ? 680 GLN A C 1 ATOM 5128 O O . GLN B 2 2 ? -27.830 -63.492 20.842 1.00 158.77 ? 680 GLN A O 1 ATOM 5129 C CB . GLN B 2 2 ? -25.518 -65.609 19.682 1.00 167.56 ? 680 GLN A CB 1 ATOM 5130 C CG . GLN B 2 2 ? -25.326 -64.378 18.805 1.00 171.74 ? 680 GLN A CG 1 ATOM 5131 C CD . GLN B 2 2 ? -24.570 -64.678 17.523 1.00 176.35 ? 680 GLN A CD 1 ATOM 5132 O OE1 . GLN B 2 2 ? -23.614 -63.983 17.176 1.00 176.18 ? 680 GLN A OE1 1 ATOM 5133 N NE2 . GLN B 2 2 ? -25.000 -65.713 16.809 1.00 179.82 ? 680 GLN A NE2 1 ATOM 5134 N N . LYS B 2 3 ? -28.596 -65.511 20.191 1.00 159.22 ? 681 LYS A N 1 ATOM 5135 C CA . LYS B 2 3 ? -29.931 -64.999 19.892 1.00 155.05 ? 681 LYS A CA 1 ATOM 5136 C C . LYS B 2 3 ? -30.628 -64.516 21.156 1.00 150.07 ? 681 LYS A C 1 ATOM 5137 O O . LYS B 2 3 ? -31.332 -63.498 21.134 1.00 150.46 ? 681 LYS A O 1 ATOM 5138 C CB . LYS B 2 3 ? -30.765 -66.076 19.198 1.00 155.17 ? 681 LYS A CB 1 ATOM 5139 C CG . LYS B 2 3 ? -30.205 -66.543 17.867 1.00 153.76 ? 681 LYS A CG 1 ATOM 5140 C CD . LYS B 2 3 ? -31.080 -67.621 17.247 1.00 154.39 ? 681 LYS A CD 1 ATOM 5141 C CE . LYS B 2 3 ? -30.526 -68.078 15.907 1.00 154.23 ? 681 LYS A CE 1 ATOM 5142 N NZ . LYS B 2 3 ? -31.357 -69.151 15.296 1.00 155.03 ? 681 LYS A NZ 1 ATOM 5143 N N . LYS B 2 4 ? -30.437 -65.223 22.272 1.00 141.55 ? 682 LYS A N 1 ATOM 5144 C CA . LYS B 2 4 ? -30.995 -64.757 23.534 1.00 134.46 ? 682 LYS A CA 1 ATOM 5145 C C . LYS B 2 4 ? -30.443 -63.402 23.948 1.00 130.51 ? 682 LYS A C 1 ATOM 5146 O O . LYS B 2 4 ? -31.029 -62.744 24.815 1.00 127.40 ? 682 LYS A O 1 ATOM 5147 C CB . LYS B 2 4 ? -30.747 -65.793 24.636 1.00 132.45 ? 682 LYS A CB 1 ATOM 5148 C CG . LYS B 2 4 ? -31.528 -67.093 24.441 1.00 133.90 ? 682 LYS A CG 1 ATOM 5149 C CD . LYS B 2 4 ? -31.531 -67.950 25.696 1.00 131.55 ? 682 LYS A CD 1 ATOM 5150 C CE . LYS B 2 4 ? -32.473 -69.140 25.562 1.00 132.25 ? 682 LYS A CE 1 ATOM 5151 N NZ . LYS B 2 4 ? -32.590 -69.900 26.841 1.00 130.57 ? 682 LYS A NZ 1 ATOM 5152 N N . ILE B 2 5 ? -29.327 -62.963 23.361 1.00 130.88 ? 683 ILE A N 1 ATOM 5153 C CA . ILE B 2 5 ? -28.763 -61.652 23.680 1.00 127.08 ? 683 ILE A CA 1 ATOM 5154 C C . ILE B 2 5 ? -28.991 -60.734 22.491 1.00 132.70 ? 683 ILE A C 1 ATOM 5155 O O . ILE B 2 5 ? -29.138 -59.516 22.648 1.00 130.26 ? 683 ILE A O 1 ATOM 5156 C CB . ILE B 2 5 ? -27.267 -61.742 24.045 1.00 118.65 ? 683 ILE A CB 1 ATOM 5157 C CG1 . ILE B 2 5 ? -27.062 -62.588 25.302 1.00 114.36 ? 683 ILE A CG1 1 ATOM 5158 C CG2 . ILE B 2 5 ? -26.663 -60.363 24.257 1.00 113.28 ? 683 ILE A CG2 1 ATOM 5159 C CD1 . ILE B 2 5 ? -25.647 -62.550 25.856 1.00 110.66 ? 683 ILE A CD1 1 ATOM 5160 N N . GLU B 2 6 ? -29.039 -61.321 21.298 1.00 142.22 ? 684 GLU A N 1 ATOM 5161 C CA . GLU B 2 6 ? -29.370 -60.543 20.111 1.00 150.99 ? 684 GLU A CA 1 ATOM 5162 C C . GLU B 2 6 ? -30.740 -59.898 20.254 1.00 158.23 ? 684 GLU A C 1 ATOM 5163 O O . GLU B 2 6 ? -30.942 -58.750 19.840 1.00 157.42 ? 684 GLU A O 1 ATOM 5164 C CB . GLU B 2 6 ? -29.318 -61.427 18.865 1.00 154.62 ? 684 GLU A CB 1 ATOM 5165 C CG . GLU B 2 6 ? -27.920 -61.633 18.285 1.00 155.20 ? 684 GLU A CG 1 ATOM 5166 C CD . GLU B 2 6 ? -27.938 -62.538 17.066 1.00 160.14 ? 684 GLU A CD 1 ATOM 5167 O OE1 . GLU B 2 6 ? -28.958 -63.232 16.861 1.00 161.99 ? 684 GLU A OE1 1 ATOM 5168 O OE2 . GLU B 2 6 ? -26.940 -62.553 16.313 1.00 162.09 ? 684 GLU A OE2 1 ATOM 5169 N N . GLU B 2 7 ? -31.692 -60.618 20.856 1.00 165.69 ? 685 GLU A N 1 ATOM 5170 C CA . GLU B 2 7 ? -33.003 -60.038 21.129 1.00 164.43 ? 685 GLU A CA 1 ATOM 5171 C C . GLU B 2 7 ? -32.897 -58.884 22.120 1.00 158.18 ? 685 GLU A C 1 ATOM 5172 O O . GLU B 2 7 ? -33.556 -57.849 21.956 1.00 164.22 ? 685 GLU A O 1 ATOM 5173 C CB . GLU B 2 7 ? -33.953 -61.117 21.653 1.00 165.60 ? 685 GLU A CB 1 ATOM 5174 C CG . GLU B 2 7 ? -34.246 -62.234 20.658 1.00 169.41 ? 685 GLU A CG 1 ATOM 5175 C CD . GLU B 2 7 ? -34.956 -63.414 21.298 1.00 170.72 ? 685 GLU A CD 1 ATOM 5176 O OE1 . GLU B 2 7 ? -35.012 -63.470 22.545 1.00 170.56 ? 685 GLU A OE1 1 ATOM 5177 O OE2 . GLU B 2 7 ? -35.457 -64.286 20.558 1.00 171.69 ? 685 GLU A OE2 1 ATOM 5178 N N . ILE B 2 8 ? -32.067 -59.043 23.153 1.00 136.51 ? 686 ILE A N 1 ATOM 5179 C CA . ILE B 2 8 ? -31.910 -57.999 24.162 1.00 115.26 ? 686 ILE A CA 1 ATOM 5180 C C . ILE B 2 8 ? -31.341 -56.733 23.537 1.00 107.17 ? 686 ILE A C 1 ATOM 5181 O O . ILE B 2 8 ? -31.900 -55.640 23.683 1.00 100.86 ? 686 ILE A O 1 ATOM 5182 C CB . ILE B 2 8 ? -31.017 -58.496 25.311 1.00 105.62 ? 686 ILE A CB 1 ATOM 5183 C CG1 . ILE B 2 8 ? -31.619 -59.739 25.966 1.00 102.85 ? 686 ILE A CG1 1 ATOM 5184 C CG2 . ILE B 2 8 ? -30.815 -57.390 26.331 1.00 100.67 ? 686 ILE A CG2 1 ATOM 5185 C CD1 . ILE B 2 8 ? -30.738 -60.338 27.036 1.00 99.23 ? 686 ILE A CD1 1 ATOM 5186 N N . ALA B 2 9 ? -30.208 -56.864 22.844 1.00 108.32 ? 687 ALA A N 1 ATOM 5187 C CA . ALA B 2 9 ? -29.575 -55.709 22.218 1.00 109.77 ? 687 ALA A CA 1 ATOM 5188 C C . ALA B 2 9 ? -30.491 -55.076 21.183 1.00 119.49 ? 687 ALA A C 1 ATOM 5189 O O . ALA B 2 9 ? -30.641 -53.849 21.145 1.00 118.96 ? 687 ALA A O 1 ATOM 5190 C CB . ALA B 2 9 ? -28.249 -56.121 21.581 1.00 106.39 ? 687 ALA A CB 1 ATOM 5191 N N . ALA B 2 10 ? -31.123 -55.900 20.342 1.00 128.18 ? 688 ALA A N 1 ATOM 5192 C CA . ALA B 2 10 ? -32.030 -55.374 19.327 1.00 133.11 ? 688 ALA A CA 1 ATOM 5193 C C . ALA B 2 10 ? -33.208 -54.638 19.951 1.00 133.50 ? 688 ALA A C 1 ATOM 5194 O O . ALA B 2 10 ? -33.729 -53.686 19.359 1.00 139.49 ? 688 ALA A O 1 ATOM 5195 C CB . ALA B 2 10 ? -32.523 -56.507 18.427 1.00 135.39 ? 688 ALA A CB 1 ATOM 5196 N N . LYS B 2 11 ? -33.639 -55.056 21.144 1.00 121.42 ? 689 LYS A N 1 ATOM 5197 C CA . LYS B 2 11 ? -34.748 -54.377 21.807 1.00 113.22 ? 689 LYS A CA 1 ATOM 5198 C C . LYS B 2 11 ? -34.370 -52.955 22.202 1.00 106.18 ? 689 LYS A C 1 ATOM 5199 O O . LYS B 2 11 ? -35.204 -52.044 22.139 1.00 103.68 ? 689 LYS A O 1 ATOM 5200 C CB . LYS B 2 11 ? -35.191 -55.175 23.034 1.00 110.20 ? 689 LYS A CB 1 ATOM 5201 C CG . LYS B 2 11 ? -36.472 -54.683 23.700 1.00 106.31 ? 689 LYS A CG 1 ATOM 5202 C CD . LYS B 2 11 ? -36.745 -55.473 24.974 1.00 103.30 ? 689 LYS A CD 1 ATOM 5203 C CE . LYS B 2 11 ? -38.021 -55.031 25.665 1.00 101.90 ? 689 LYS A CE 1 ATOM 5204 N NZ . LYS B 2 11 ? -39.212 -55.640 25.022 1.00 106.25 ? 689 LYS A NZ 1 ATOM 5205 N N . TYR B 2 12 ? -33.113 -52.742 22.598 1.00 101.62 ? 690 TYR A N 1 ATOM 5206 C CA . TYR B 2 12 ? -32.664 -51.453 23.111 1.00 96.97 ? 690 TYR A CA 1 ATOM 5207 C C . TYR B 2 12 ? -31.600 -50.807 22.228 1.00 104.25 ? 690 TYR A C 1 ATOM 5208 O O . TYR B 2 12 ? -30.839 -49.961 22.709 1.00 105.38 ? 690 TYR A O 1 ATOM 5209 C CB . TYR B 2 12 ? -32.140 -51.603 24.541 1.00 86.48 ? 690 TYR A CB 1 ATOM 5210 C CG . TYR B 2 12 ? -33.174 -52.088 25.532 1.00 80.48 ? 690 TYR A CG 1 ATOM 5211 C CD1 . TYR B 2 12 ? -33.319 -53.440 25.809 1.00 80.60 ? 690 TYR A CD1 1 ATOM 5212 C CD2 . TYR B 2 12 ? -34.002 -51.191 26.196 1.00 76.51 ? 690 TYR A CD2 1 ATOM 5213 C CE1 . TYR B 2 12 ? -34.259 -53.886 26.716 1.00 79.90 ? 690 TYR A CE1 1 ATOM 5214 C CE2 . TYR B 2 12 ? -34.946 -51.628 27.104 1.00 74.50 ? 690 TYR A CE2 1 ATOM 5215 C CZ . TYR B 2 12 ? -35.071 -52.977 27.359 1.00 77.39 ? 690 TYR A CZ 1 ATOM 5216 O OH . TYR B 2 12 ? -36.009 -53.421 28.263 1.00 77.75 ? 690 TYR A OH 1 ATOM 5217 N N . LYS B 2 13 ? -31.526 -51.184 20.948 1.00 110.82 ? 691 LYS A N 1 ATOM 5218 C CA . LYS B 2 13 ? -30.536 -50.581 20.058 1.00 114.55 ? 691 LYS A CA 1 ATOM 5219 C C . LYS B 2 13 ? -30.777 -49.085 19.908 1.00 113.74 ? 691 LYS A C 1 ATOM 5220 O O . LYS B 2 13 ? -29.864 -48.273 20.093 1.00 110.98 ? 691 LYS A O 1 ATOM 5221 C CB . LYS B 2 13 ? -30.562 -51.268 18.692 1.00 120.39 ? 691 LYS A CB 1 ATOM 5222 C CG . LYS B 2 13 ? -29.618 -52.457 18.565 1.00 124.22 ? 691 LYS A CG 1 ATOM 5223 C CD . LYS B 2 13 ? -29.830 -53.200 17.252 1.00 128.19 ? 691 LYS A CD 1 ATOM 5224 C CE . LYS B 2 13 ? -28.997 -54.475 17.185 1.00 127.89 ? 691 LYS A CE 1 ATOM 5225 N NZ . LYS B 2 13 ? -29.261 -55.251 15.938 1.00 128.88 ? 691 LYS A NZ 1 ATOM 5226 N N . HIS B 2 14 ? -32.007 -48.702 19.572 1.00 118.91 ? 692 HIS A N 1 ATOM 5227 C CA . HIS B 2 14 ? -32.379 -47.303 19.423 1.00 126.17 ? 692 HIS A CA 1 ATOM 5228 C C . HIS B 2 14 ? -33.368 -46.858 20.494 1.00 122.40 ? 692 HIS A C 1 ATOM 5229 O O . HIS B 2 14 ? -34.113 -45.896 20.286 1.00 122.20 ? 692 HIS A O 1 ATOM 5230 C CB . HIS B 2 14 ? -32.956 -47.057 18.028 1.00 135.93 ? 692 HIS A CB 1 ATOM 5231 C CG . HIS B 2 14 ? -31.979 -47.296 16.918 1.00 143.67 ? 692 HIS A CG 1 ATOM 5232 N ND1 . HIS B 2 14 ? -32.305 -48.002 15.779 1.00 148.44 ? 692 HIS A ND1 1 ATOM 5233 C CD2 . HIS B 2 14 ? -30.688 -46.918 16.769 1.00 145.17 ? 692 HIS A CD2 1 ATOM 5234 C CE1 . HIS B 2 14 ? -31.255 -48.052 14.979 1.00 149.63 ? 692 HIS A CE1 1 ATOM 5235 N NE2 . HIS B 2 14 ? -30.260 -47.401 15.556 1.00 147.73 ? 692 HIS A NE2 1 ATOM 5236 N N . SER B 2 15 ? -33.392 -47.541 21.634 1.00 116.43 ? 693 SER A N 1 ATOM 5237 C CA . SER B 2 15 ? -34.330 -47.197 22.690 1.00 110.99 ? 693 SER A CA 1 ATOM 5238 C C . SER B 2 15 ? -33.942 -45.881 23.351 1.00 104.64 ? 693 SER A C 1 ATOM 5239 O O . SER B 2 15 ? -32.763 -45.528 23.447 1.00 100.17 ? 693 SER A O 1 ATOM 5240 C CB . SER B 2 15 ? -34.381 -48.304 23.740 1.00 108.50 ? 693 SER A CB 1 ATOM 5241 O OG . SER B 2 15 ? -33.109 -48.478 24.334 1.00 105.81 ? 693 SER A OG 1 ATOM 5242 N N . VAL B 2 16 ? -34.960 -45.148 23.808 1.00 104.92 ? 694 VAL A N 1 ATOM 5243 C CA . VAL B 2 16 ? -34.715 -43.909 24.541 1.00 102.27 ? 694 VAL A CA 1 ATOM 5244 C C . VAL B 2 16 ? -33.919 -44.198 25.806 1.00 98.17 ? 694 VAL A C 1 ATOM 5245 O O . VAL B 2 16 ? -32.953 -43.496 26.128 1.00 92.69 ? 694 VAL A O 1 ATOM 5246 C CB . VAL B 2 16 ? -36.049 -43.205 24.857 1.00 102.74 ? 694 VAL A CB 1 ATOM 5247 C CG1 . VAL B 2 16 ? -35.798 -41.831 25.462 1.00 101.57 ? 694 VAL A CG1 1 ATOM 5248 C CG2 . VAL B 2 16 ? -36.918 -43.105 23.605 1.00 103.73 ? 694 VAL A CG2 1 ATOM 5249 N N . VAL B 2 17 ? -34.306 -45.242 26.531 1.00 99.74 ? 695 VAL A N 1 ATOM 5250 C CA . VAL B 2 17 ? -33.610 -45.673 27.741 1.00 95.18 ? 695 VAL A CA 1 ATOM 5251 C C . VAL B 2 17 ? -32.765 -46.878 27.336 1.00 93.85 ? 695 VAL A C 1 ATOM 5252 O O . VAL B 2 17 ? -33.225 -48.021 27.303 1.00 97.95 ? 695 VAL A O 1 ATOM 5253 C CB . VAL B 2 17 ? -34.583 -45.983 28.878 1.00 94.57 ? 695 VAL A CB 1 ATOM 5254 C CG1 . VAL B 2 17 ? -35.801 -46.748 28.364 1.00 97.16 ? 695 VAL A CG1 1 ATOM 5255 C CG2 . VAL B 2 17 ? -33.894 -46.762 29.966 1.00 94.17 ? 695 VAL A CG2 1 ATOM 5256 N N . LYS B 2 18 ? -31.508 -46.612 26.997 1.00 88.73 ? 696 LYS A N 1 ATOM 5257 C CA . LYS B 2 18 ? -30.586 -47.634 26.515 1.00 83.28 ? 696 LYS A CA 1 ATOM 5258 C C . LYS B 2 18 ? -29.463 -47.931 27.492 1.00 76.80 ? 696 LYS A C 1 ATOM 5259 O O . LYS B 2 18 ? -29.072 -49.092 27.643 1.00 72.61 ? 696 LYS A O 1 ATOM 5260 C CB . LYS B 2 18 ? -29.991 -47.206 25.167 1.00 84.28 ? 696 LYS A CB 1 ATOM 5261 C CG . LYS B 2 18 ? -29.459 -45.774 25.153 1.00 85.66 ? 696 LYS A CG 1 ATOM 5262 C CD . LYS B 2 18 ? -29.143 -45.293 23.742 1.00 87.91 ? 696 LYS A CD 1 ATOM 5263 C CE . LYS B 2 18 ? -28.115 -46.181 23.065 1.00 87.59 ? 696 LYS A CE 1 ATOM 5264 N NZ . LYS B 2 18 ? -27.712 -45.657 21.729 1.00 89.36 ? 696 LYS A NZ 1 ATOM 5265 N N . LYS B 2 19 ? -28.938 -46.904 28.162 1.00 72.71 ? 697 LYS A N 1 ATOM 5266 C CA . LYS B 2 19 ? -27.865 -47.122 29.122 1.00 69.33 ? 697 LYS A CA 1 ATOM 5267 C C . LYS B 2 19 ? -28.359 -47.912 30.328 1.00 70.13 ? 697 LYS A C 1 ATOM 5268 O O . LYS B 2 19 ? -27.639 -48.774 30.849 1.00 69.85 ? 697 LYS A O 1 ATOM 5269 C CB . LYS B 2 19 ? -27.273 -45.782 29.558 1.00 66.62 ? 697 LYS A CB 1 ATOM 5270 C CG . LYS B 2 19 ? -26.230 -45.898 30.658 1.00 66.56 ? 697 LYS A CG 1 ATOM 5271 C CD . LYS B 2 19 ? -25.668 -44.544 31.069 1.00 62.69 ? 697 LYS A CD 1 ATOM 5272 C CE . LYS B 2 19 ? -24.776 -44.686 32.293 1.00 61.93 ? 697 LYS A CE 1 ATOM 5273 N NZ . LYS B 2 19 ? -23.789 -45.788 32.111 1.00 63.28 ? 697 LYS A NZ 1 ATOM 5274 N N . CYS B 2 20 ? -29.589 -47.639 30.777 1.00 70.56 ? 698 CYS A N 1 ATOM 5275 C CA . CYS B 2 20 ? -30.121 -48.328 31.949 1.00 75.94 ? 698 CYS A CA 1 ATOM 5276 C C . CYS B 2 20 ? -30.151 -49.834 31.733 1.00 78.65 ? 698 CYS A C 1 ATOM 5277 O O . CYS B 2 20 ? -29.869 -50.609 32.655 1.00 79.89 ? 698 CYS A O 1 ATOM 5278 C CB . CYS B 2 20 ? -31.518 -47.802 32.281 1.00 81.22 ? 698 CYS A CB 1 ATOM 5279 S SG . CYS B 2 20 ? -31.620 -45.997 32.459 1.00 83.85 ? 698 CYS A SG 1 ATOM 5280 N N . CYS B 2 21 ? -30.478 -50.267 30.516 1.00 79.90 ? 699 CYS A N 1 ATOM 5281 C CA . CYS B 2 21 ? -30.389 -51.687 30.203 1.00 78.32 ? 699 CYS A CA 1 ATOM 5282 C C . CYS B 2 21 ? -28.946 -52.170 30.242 1.00 75.85 ? 699 CYS A C 1 ATOM 5283 O O . CYS B 2 21 ? -28.665 -53.257 30.759 1.00 77.28 ? 699 CYS A O 1 ATOM 5284 C CB . CYS B 2 21 ? -31.006 -51.967 28.835 1.00 77.66 ? 699 CYS A CB 1 ATOM 5285 S SG . CYS B 2 21 ? -30.745 -53.658 28.258 1.00 76.97 ? 699 CYS A SG 1 ATOM 5286 N N . TYR B 2 22 ? -28.017 -51.377 29.708 1.00 73.71 ? 700 TYR A N 1 ATOM 5287 C CA . TYR B 2 22 ? -26.619 -51.786 29.666 1.00 77.07 ? 700 TYR A CA 1 ATOM 5288 C C . TYR B 2 22 ? -26.072 -52.014 31.068 1.00 79.61 ? 700 TYR A C 1 ATOM 5289 O O . TYR B 2 22 ? -25.730 -53.145 31.430 1.00 81.58 ? 700 TYR A O 1 ATOM 5290 C CB . TYR B 2 22 ? -25.770 -50.747 28.938 1.00 78.80 ? 700 TYR A CB 1 ATOM 5291 C CG . TYR B 2 22 ? -24.293 -51.073 28.936 1.00 81.32 ? 700 TYR A CG 1 ATOM 5292 C CD1 . TYR B 2 22 ? -23.445 -50.552 29.904 1.00 79.26 ? 700 TYR A CD1 1 ATOM 5293 C CD2 . TYR B 2 22 ? -23.749 -51.905 27.967 1.00 83.45 ? 700 TYR A CD2 1 ATOM 5294 C CE1 . TYR B 2 22 ? -22.100 -50.848 29.908 1.00 79.98 ? 700 TYR A CE1 1 ATOM 5295 C CE2 . TYR B 2 22 ? -22.402 -52.206 27.962 1.00 82.04 ? 700 TYR A CE2 1 ATOM 5296 C CZ . TYR B 2 22 ? -21.583 -51.673 28.936 1.00 82.63 ? 700 TYR A CZ 1 ATOM 5297 O OH . TYR B 2 22 ? -20.240 -51.965 28.942 1.00 86.17 ? 700 TYR A OH 1 ATOM 5298 N N . ASP B 2 23 ? -25.979 -50.950 31.869 1.00 76.89 ? 701 ASP A N 1 ATOM 5299 C CA . ASP B 2 23 ? -25.444 -51.129 33.211 1.00 72.67 ? 701 ASP A CA 1 ATOM 5300 C C . ASP B 2 23 ? -26.401 -51.885 34.123 1.00 72.26 ? 701 ASP A C 1 ATOM 5301 O O . ASP B 2 23 ? -26.022 -52.210 35.253 1.00 74.97 ? 701 ASP A O 1 ATOM 5302 C CB . ASP B 2 23 ? -25.057 -49.778 33.825 1.00 70.43 ? 701 ASP A CB 1 ATOM 5303 C CG . ASP B 2 23 ? -26.111 -48.717 33.630 1.00 70.55 ? 701 ASP A CG 1 ATOM 5304 O OD1 . ASP B 2 23 ? -27.313 -49.045 33.696 1.00 80.04 ? 701 ASP A OD1 1 ATOM 5305 O OD2 . ASP B 2 23 ? -25.730 -47.547 33.417 1.00 63.70 ? 701 ASP A OD2 1 ATOM 5306 N N . GLY B 2 24 ? -27.617 -52.182 33.665 1.00 69.79 ? 702 GLY A N 1 ATOM 5307 C CA . GLY B 2 24 ? -28.431 -53.156 34.372 1.00 70.41 ? 702 GLY A CA 1 ATOM 5308 C C . GLY B 2 24 ? -27.881 -54.561 34.233 1.00 69.78 ? 702 GLY A C 1 ATOM 5309 O O . GLY B 2 24 ? -27.871 -55.335 35.195 1.00 68.61 ? 702 GLY A O 1 ATOM 5310 N N . ALA B 2 25 ? -27.398 -54.903 33.040 1.00 68.84 ? 703 ALA A N 1 ATOM 5311 C CA . ALA B 2 25 ? -26.859 -56.225 32.760 1.00 70.17 ? 703 ALA A CA 1 ATOM 5312 C C . ALA B 2 25 ? -25.456 -56.431 33.320 1.00 68.62 ? 703 ALA A C 1 ATOM 5313 O O . ALA B 2 25 ? -24.897 -57.520 33.152 1.00 66.66 ? 703 ALA A O 1 ATOM 5314 C CB . ALA B 2 25 ? -26.857 -56.475 31.248 1.00 70.18 ? 703 ALA A CB 1 ATOM 5315 N N . CYS B 2 26 ? -24.879 -55.432 33.982 1.00 67.35 ? 704 CYS A N 1 ATOM 5316 C CA . CYS B 2 26 ? -23.540 -55.582 34.533 1.00 66.46 ? 704 CYS A CA 1 ATOM 5317 C C . CYS B 2 26 ? -23.554 -56.483 35.762 1.00 66.33 ? 704 CYS A C 1 ATOM 5318 O O . CYS B 2 26 ? -24.552 -56.587 36.479 1.00 67.13 ? 704 CYS A O 1 ATOM 5319 C CB . CYS B 2 26 ? -22.955 -54.219 34.888 1.00 63.08 ? 704 CYS A CB 1 ATOM 5320 S SG . CYS B 2 26 ? -22.521 -53.237 33.444 1.00 63.40 ? 704 CYS A SG 1 ATOM 5321 N N . VAL B 2 27 ? -22.417 -57.131 36.011 1.00 65.35 ? 705 VAL A N 1 ATOM 5322 C CA . VAL B 2 27 ? -22.339 -58.126 37.073 1.00 65.61 ? 705 VAL A CA 1 ATOM 5323 C C . VAL B 2 27 ? -22.299 -57.432 38.426 1.00 63.56 ? 705 VAL A C 1 ATOM 5324 O O . VAL B 2 27 ? -21.549 -56.470 38.631 1.00 58.66 ? 705 VAL A O 1 ATOM 5325 C CB . VAL B 2 27 ? -21.118 -59.035 36.870 1.00 62.93 ? 705 VAL A CB 1 ATOM 5326 C CG1 . VAL B 2 27 ? -21.110 -60.150 37.906 1.00 58.24 ? 705 VAL A CG1 1 ATOM 5327 C CG2 . VAL B 2 27 ? -21.126 -59.607 35.461 1.00 69.01 ? 705 VAL A CG2 1 ATOM 5328 N N . ASN B 2 28 ? -23.118 -57.915 39.359 1.00 67.28 ? 706 ASN A N 1 ATOM 5329 C CA . ASN B 2 28 ? -23.112 -57.422 40.737 1.00 70.10 ? 706 ASN A CA 1 ATOM 5330 C C . ASN B 2 28 ? -23.554 -58.592 41.620 1.00 75.25 ? 706 ASN A C 1 ATOM 5331 O O . ASN B 2 28 ? -24.748 -58.817 41.815 1.00 77.59 ? 706 ASN A O 1 ATOM 5332 C CB . ASN B 2 28 ? -24.018 -56.213 40.914 1.00 67.81 ? 706 ASN A CB 1 ATOM 5333 C CG . ASN B 2 28 ? -23.883 -55.577 42.286 1.00 66.06 ? 706 ASN A CG 1 ATOM 5334 O OD1 . ASN B 2 28 ? -23.515 -56.240 43.254 1.00 68.01 ? 706 ASN A OD1 1 ATOM 5335 N ND2 . ASN B 2 28 ? -24.179 -54.283 42.375 1.00 64.54 ? 706 ASN A ND2 1 ATOM 5336 N N . ASN B 2 29 ? -22.572 -59.320 42.142 1.00 77.91 ? 707 ASN A N 1 ATOM 5337 C CA . ASN B 2 29 ? -22.846 -60.501 42.950 1.00 82.78 ? 707 ASN A CA 1 ATOM 5338 C C . ASN B 2 29 ? -23.192 -60.163 44.390 1.00 82.43 ? 707 ASN A C 1 ATOM 5339 O O . ASN B 2 29 ? -23.406 -61.082 45.188 1.00 85.59 ? 707 ASN A O 1 ATOM 5340 C CB . ASN B 2 29 ? -21.643 -61.446 42.919 1.00 88.41 ? 707 ASN A CB 1 ATOM 5341 C CG . ASN B 2 29 ? -21.323 -61.934 41.522 1.00 91.56 ? 707 ASN A CG 1 ATOM 5342 O OD1 . ASN B 2 29 ? -22.223 -62.217 40.728 1.00 91.16 ? 707 ASN A OD1 1 ATOM 5343 N ND2 . ASN B 2 29 ? -20.035 -62.040 41.214 1.00 91.81 ? 707 ASN A ND2 1 ATOM 5344 N N . ASP B 2 30 ? -23.254 -58.879 44.742 1.00 78.63 ? 708 ASP A N 1 ATOM 5345 C CA . ASP B 2 30 ? -23.508 -58.480 46.116 1.00 74.48 ? 708 ASP A CA 1 ATOM 5346 C C . ASP B 2 30 ? -24.894 -57.899 46.347 1.00 75.65 ? 708 ASP A C 1 ATOM 5347 O O . ASP B 2 30 ? -25.327 -57.831 47.501 1.00 77.84 ? 708 ASP A O 1 ATOM 5348 C CB . ASP B 2 30 ? -22.456 -57.460 46.573 1.00 69.35 ? 708 ASP A CB 1 ATOM 5349 C CG . ASP B 2 30 ? -21.041 -57.918 46.284 1.00 68.99 ? 708 ASP A CG 1 ATOM 5350 O OD1 . ASP B 2 30 ? -20.523 -58.768 47.039 1.00 68.88 ? 708 ASP A OD1 1 ATOM 5351 O OD2 . ASP B 2 30 ? -20.446 -57.430 45.299 1.00 69.65 ? 708 ASP A OD2 1 ATOM 5352 N N . GLU B 2 31 ? -25.597 -57.481 45.293 1.00 74.93 ? 709 GLU A N 1 ATOM 5353 C CA . GLU B 2 31 ? -26.914 -56.875 45.430 1.00 72.89 ? 709 GLU A CA 1 ATOM 5354 C C . GLU B 2 31 ? -27.851 -57.442 44.375 1.00 74.11 ? 709 GLU A C 1 ATOM 5355 O O . GLU B 2 31 ? -27.439 -57.691 43.239 1.00 75.37 ? 709 GLU A O 1 ATOM 5356 C CB . GLU B 2 31 ? -26.854 -55.346 45.291 1.00 69.46 ? 709 GLU A CB 1 ATOM 5357 C CG . GLU B 2 31 ? -25.817 -54.667 46.167 1.00 68.44 ? 709 GLU A CG 1 ATOM 5358 C CD . GLU B 2 31 ? -25.841 -53.160 46.032 1.00 71.44 ? 709 GLU A CD 1 ATOM 5359 O OE1 . GLU B 2 31 ? -26.917 -52.562 46.239 1.00 73.98 ? 709 GLU A OE1 1 ATOM 5360 O OE2 . GLU B 2 31 ? -24.789 -52.573 45.705 1.00 73.47 ? 709 GLU A OE2 1 ATOM 5361 N N . THR B 2 32 ? -29.112 -57.632 44.754 1.00 74.47 ? 710 THR A N 1 ATOM 5362 C CA . THR B 2 32 ? -30.107 -58.106 43.806 1.00 78.99 ? 710 THR A CA 1 ATOM 5363 C C . THR B 2 32 ? -30.459 -57.001 42.813 1.00 77.00 ? 710 THR A C 1 ATOM 5364 O O . THR B 2 32 ? -30.073 -55.840 42.966 1.00 76.31 ? 710 THR A O 1 ATOM 5365 C CB . THR B 2 32 ? -31.368 -58.576 44.530 1.00 84.07 ? 710 THR A CB 1 ATOM 5366 O OG1 . THR B 2 32 ? -32.022 -57.451 45.130 1.00 85.71 ? 710 THR A OG1 1 ATOM 5367 C CG2 . THR B 2 32 ? -31.019 -59.593 45.610 1.00 83.92 ? 710 THR A CG2 1 ATOM 5368 N N . CYS B 2 33 ? -31.211 -57.379 41.777 1.00 78.40 ? 711 CYS A N 1 ATOM 5369 C CA . CYS B 2 33 ? -31.606 -56.403 40.769 1.00 80.38 ? 711 CYS A CA 1 ATOM 5370 C C . CYS B 2 33 ? -32.487 -55.318 41.372 1.00 83.12 ? 711 CYS A C 1 ATOM 5371 O O . CYS B 2 33 ? -32.316 -54.132 41.070 1.00 82.04 ? 711 CYS A O 1 ATOM 5372 C CB . CYS B 2 33 ? -32.321 -57.097 39.608 1.00 85.51 ? 711 CYS A CB 1 ATOM 5373 S SG . CYS B 2 33 ? -31.277 -58.177 38.584 1.00 88.35 ? 711 CYS A SG 1 ATOM 5374 N N . GLU B 2 34 ? -33.425 -55.698 42.243 1.00 91.85 ? 712 GLU A N 1 ATOM 5375 C CA . GLU B 2 34 ? -34.321 -54.701 42.816 1.00 103.04 ? 712 GLU A CA 1 ATOM 5376 C C . GLU B 2 34 ? -33.584 -53.775 43.776 1.00 96.75 ? 712 GLU A C 1 ATOM 5377 O O . GLU B 2 34 ? -33.935 -52.594 43.888 1.00 99.83 ? 712 GLU A O 1 ATOM 5378 C CB . GLU B 2 34 ? -35.503 -55.387 43.509 1.00 116.88 ? 712 GLU A CB 1 ATOM 5379 C CG . GLU B 2 34 ? -35.173 -56.100 44.813 1.00 127.27 ? 712 GLU A CG 1 ATOM 5380 C CD . GLU B 2 34 ? -35.370 -55.213 46.031 1.00 133.23 ? 712 GLU A CD 1 ATOM 5381 O OE1 . GLU B 2 34 ? -35.902 -54.093 45.875 1.00 136.52 ? 712 GLU A OE1 1 ATOM 5382 O OE2 . GLU B 2 34 ? -34.993 -55.636 47.145 1.00 135.45 ? 712 GLU A OE2 1 ATOM 5383 N N . GLN B 2 35 ? -32.555 -54.280 44.459 1.00 85.60 ? 713 GLN A N 1 ATOM 5384 C CA . GLN B 2 35 ? -31.775 -53.423 45.344 1.00 75.41 ? 713 GLN A CA 1 ATOM 5385 C C . GLN B 2 35 ? -30.974 -52.401 44.551 1.00 69.24 ? 713 GLN A C 1 ATOM 5386 O O . GLN B 2 35 ? -30.826 -51.251 44.980 1.00 69.91 ? 713 GLN A O 1 ATOM 5387 C CB . GLN B 2 35 ? -30.853 -54.271 46.214 1.00 71.96 ? 713 GLN A CB 1 ATOM 5388 C CG . GLN B 2 35 ? -31.577 -55.074 47.271 1.00 71.34 ? 713 GLN A CG 1 ATOM 5389 C CD . GLN B 2 35 ? -30.659 -56.043 47.978 1.00 72.88 ? 713 GLN A CD 1 ATOM 5390 O OE1 . GLN B 2 35 ? -29.726 -56.578 47.379 1.00 74.41 ? 713 GLN A OE1 1 ATOM 5391 N NE2 . GLN B 2 35 ? -30.911 -56.270 49.262 1.00 72.86 ? 713 GLN A NE2 1 ATOM 5392 N N . ARG B 2 36 ? -30.450 -52.802 43.393 1.00 63.10 ? 714 ARG A N 1 ATOM 5393 C CA . ARG B 2 36 ? -29.724 -51.858 42.553 1.00 60.60 ? 714 ARG A CA 1 ATOM 5394 C C . ARG B 2 36 ? -30.672 -50.843 41.930 1.00 64.10 ? 714 ARG A C 1 ATOM 5395 O O . ARG B 2 36 ? -30.389 -49.639 41.926 1.00 63.75 ? 714 ARG A O 1 ATOM 5396 C CB . ARG B 2 36 ? -28.946 -52.612 41.476 1.00 55.76 ? 714 ARG A CB 1 ATOM 5397 C CG . ARG B 2 36 ? -27.866 -53.511 42.042 1.00 56.45 ? 714 ARG A CG 1 ATOM 5398 C CD . ARG B 2 36 ? -27.361 -54.495 41.008 1.00 60.21 ? 714 ARG A CD 1 ATOM 5399 N NE . ARG B 2 36 ? -26.742 -53.823 39.869 1.00 63.30 ? 714 ARG A NE 1 ATOM 5400 C CZ . ARG B 2 36 ? -26.324 -54.449 38.775 1.00 63.13 ? 714 ARG A CZ 1 ATOM 5401 N NH1 . ARG B 2 36 ? -26.463 -55.764 38.664 1.00 63.09 ? 714 ARG A NH1 1 ATOM 5402 N NH2 . ARG B 2 36 ? -25.772 -53.759 37.788 1.00 63.77 ? 714 ARG A NH2 1 ATOM 5403 N N . ALA B 2 37 ? -31.807 -51.309 41.408 1.00 64.13 ? 715 ALA A N 1 ATOM 5404 C CA . ALA B 2 37 ? -32.786 -50.400 40.832 1.00 62.73 ? 715 ALA A CA 1 ATOM 5405 C C . ALA B 2 37 ? -33.400 -49.481 41.876 1.00 63.74 ? 715 ALA A C 1 ATOM 5406 O O . ALA B 2 37 ? -33.956 -48.439 41.514 1.00 67.96 ? 715 ALA A O 1 ATOM 5407 C CB . ALA B 2 37 ? -33.883 -51.190 40.119 1.00 65.68 ? 715 ALA A CB 1 ATOM 5408 N N . ALA B 2 38 ? -33.313 -49.840 43.160 1.00 62.08 ? 716 ALA A N 1 ATOM 5409 C CA . ALA B 2 38 ? -33.830 -48.972 44.211 1.00 60.39 ? 716 ALA A CA 1 ATOM 5410 C C . ALA B 2 38 ? -33.087 -47.645 44.279 1.00 59.02 ? 716 ALA A C 1 ATOM 5411 O O . ALA B 2 38 ? -33.620 -46.678 44.832 1.00 63.18 ? 716 ALA A O 1 ATOM 5412 C CB . ALA B 2 38 ? -33.760 -49.681 45.566 1.00 59.77 ? 716 ALA A CB 1 ATOM 5413 N N . ARG B 2 39 ? -31.878 -47.574 43.726 1.00 58.96 ? 717 ARG A N 1 ATOM 5414 C CA . ARG B 2 39 ? -31.096 -46.345 43.719 1.00 58.86 ? 717 ARG A CA 1 ATOM 5415 C C . ARG B 2 39 ? -31.289 -45.511 42.460 1.00 62.45 ? 717 ARG A C 1 ATOM 5416 O O . ARG B 2 39 ? -30.767 -44.393 42.395 1.00 66.83 ? 717 ARG A O 1 ATOM 5417 C CB . ARG B 2 39 ? -29.608 -46.671 43.884 1.00 56.04 ? 717 ARG A CB 1 ATOM 5418 C CG . ARG B 2 39 ? -29.202 -47.012 45.306 1.00 56.86 ? 717 ARG A CG 1 ATOM 5419 C CD . ARG B 2 39 ? -27.832 -47.649 45.332 1.00 57.96 ? 717 ARG A CD 1 ATOM 5420 N NE . ARG B 2 39 ? -27.904 -49.061 44.978 1.00 64.95 ? 717 ARG A NE 1 ATOM 5421 C CZ . ARG B 2 39 ? -26.877 -49.766 44.522 1.00 72.02 ? 717 ARG A CZ 1 ATOM 5422 N NH1 . ARG B 2 39 ? -25.701 -49.186 44.352 1.00 74.61 ? 717 ARG A NH1 1 ATOM 5423 N NH2 . ARG B 2 39 ? -27.028 -51.047 44.224 1.00 76.44 ? 717 ARG A NH2 1 ATOM 5424 N N . ILE B 2 40 ? -32.021 -46.014 41.467 1.00 63.41 ? 718 ILE A N 1 ATOM 5425 C CA . ILE B 2 40 ? -32.175 -45.295 40.207 1.00 67.71 ? 718 ILE A CA 1 ATOM 5426 C C . ILE B 2 40 ? -33.111 -44.111 40.397 1.00 71.60 ? 718 ILE A C 1 ATOM 5427 O O . ILE B 2 40 ? -34.211 -44.250 40.948 1.00 76.06 ? 718 ILE A O 1 ATOM 5428 C CB . ILE B 2 40 ? -32.695 -46.238 39.116 1.00 69.00 ? 718 ILE A CB 1 ATOM 5429 C CG1 . ILE B 2 40 ? -31.668 -47.334 38.843 1.00 67.61 ? 718 ILE A CG1 1 ATOM 5430 C CG2 . ILE B 2 40 ? -33.018 -45.461 37.850 1.00 69.92 ? 718 ILE A CG2 1 ATOM 5431 C CD1 . ILE B 2 40 ? -32.119 -48.325 37.818 1.00 65.53 ? 718 ILE A CD1 1 ATOM 5432 N N . SER B 2 41 ? -32.688 -42.940 39.918 1.00 70.65 ? 719 SER A N 1 ATOM 5433 C CA . SER B 2 41 ? -33.460 -41.711 40.053 1.00 74.01 ? 719 SER A CA 1 ATOM 5434 C C . SER B 2 41 ? -33.792 -41.095 38.697 1.00 77.27 ? 719 SER A C 1 ATOM 5435 O O . SER B 2 41 ? -33.959 -39.878 38.588 1.00 79.53 ? 719 SER A O 1 ATOM 5436 C CB . SER B 2 41 ? -32.712 -40.701 40.921 1.00 73.61 ? 719 SER A CB 1 ATOM 5437 O OG . SER B 2 41 ? -31.545 -40.241 40.262 1.00 72.36 ? 719 SER A OG 1 ATOM 5438 N N . LEU B 2 42 ? -33.894 -41.917 37.654 1.00 76.76 ? 720 LEU A N 1 ATOM 5439 C CA . LEU B 2 42 ? -34.149 -41.425 36.306 1.00 75.08 ? 720 LEU A CA 1 ATOM 5440 C C . LEU B 2 42 ? -35.530 -41.800 35.786 1.00 81.58 ? 720 LEU A C 1 ATOM 5441 O O . LEU B 2 42 ? -35.811 -41.592 34.601 1.00 85.95 ? 720 LEU A O 1 ATOM 5442 C CB . LEU B 2 42 ? -33.075 -41.930 35.342 1.00 68.87 ? 720 LEU A CB 1 ATOM 5443 C CG . LEU B 2 42 ? -31.663 -41.395 35.582 1.00 63.79 ? 720 LEU A CG 1 ATOM 5444 C CD1 . LEU B 2 42 ? -30.738 -41.780 34.439 1.00 63.02 ? 720 LEU A CD1 1 ATOM 5445 C CD2 . LEU B 2 42 ? -31.691 -39.890 35.766 1.00 63.36 ? 720 LEU A CD2 1 ATOM 5446 N N . GLY B 2 43 ? -36.396 -42.351 36.631 1.00 83.28 ? 721 GLY A N 1 ATOM 5447 C CA . GLY B 2 43 ? -37.768 -42.572 36.245 1.00 86.15 ? 721 GLY A CA 1 ATOM 5448 C C . GLY B 2 43 ? -38.139 -44.032 36.107 1.00 84.78 ? 721 GLY A C 1 ATOM 5449 O O . GLY B 2 43 ? -37.298 -44.931 36.214 1.00 87.53 ? 721 GLY A O 1 ATOM 5450 N N . PRO B 2 44 ? -39.425 -44.292 35.855 1.00 85.28 ? 722 PRO A N 1 ATOM 5451 C CA . PRO B 2 44 ? -39.894 -45.686 35.819 1.00 84.91 ? 722 PRO A CA 1 ATOM 5452 C C . PRO B 2 44 ? -39.408 -46.466 34.611 1.00 85.71 ? 722 PRO A C 1 ATOM 5453 O O . PRO B 2 44 ? -39.191 -47.678 34.728 1.00 84.86 ? 722 PRO A O 1 ATOM 5454 C CB . PRO B 2 44 ? -41.424 -45.542 35.812 1.00 84.67 ? 722 PRO A CB 1 ATOM 5455 C CG . PRO B 2 44 ? -41.695 -44.134 36.259 1.00 84.98 ? 722 PRO A CG 1 ATOM 5456 C CD . PRO B 2 44 ? -40.535 -43.331 35.768 1.00 85.32 ? 722 PRO A CD 1 ATOM 5457 N N . ARG B 2 45 ? -39.247 -45.820 33.451 1.00 86.95 ? 723 ARG A N 1 ATOM 5458 C CA . ARG B 2 45 ? -38.799 -46.543 32.262 1.00 89.31 ? 723 ARG A CA 1 ATOM 5459 C C . ARG B 2 45 ? -37.365 -47.025 32.422 1.00 84.96 ? 723 ARG A C 1 ATOM 5460 O O . ARG B 2 45 ? -37.032 -48.155 32.043 1.00 86.31 ? 723 ARG A O 1 ATOM 5461 C CB . ARG B 2 45 ? -38.927 -45.659 31.022 1.00 95.43 ? 723 ARG A CB 1 ATOM 5462 C CG . ARG B 2 45 ? -40.359 -45.357 30.607 1.00 103.87 ? 723 ARG A CG 1 ATOM 5463 C CD . ARG B 2 45 ? -40.405 -44.718 29.226 1.00 109.61 ? 723 ARG A CD 1 ATOM 5464 N NE . ARG B 2 45 ? -39.822 -45.591 28.210 1.00 112.28 ? 723 ARG A NE 1 ATOM 5465 C CZ . ARG B 2 45 ? -39.589 -45.227 26.953 1.00 112.51 ? 723 ARG A CZ 1 ATOM 5466 N NH1 . ARG B 2 45 ? -39.885 -43.999 26.547 1.00 112.69 ? 723 ARG A NH1 1 ATOM 5467 N NH2 . ARG B 2 45 ? -39.054 -46.091 26.101 1.00 111.86 ? 723 ARG A NH2 1 ATOM 5468 N N . CYS B 2 46 ? -36.505 -46.177 32.983 1.00 80.75 ? 724 CYS A N 1 ATOM 5469 C CA . CYS B 2 46 ? -35.135 -46.589 33.254 1.00 79.69 ? 724 CYS A CA 1 ATOM 5470 C C . CYS B 2 46 ? -35.094 -47.709 34.286 1.00 78.36 ? 724 CYS A C 1 ATOM 5471 O O . CYS B 2 46 ? -34.277 -48.633 34.180 1.00 78.67 ? 724 CYS A O 1 ATOM 5472 C CB . CYS B 2 46 ? -34.328 -45.379 33.715 1.00 81.32 ? 724 CYS A CB 1 ATOM 5473 S SG . CYS B 2 46 ? -32.638 -45.724 34.203 1.00 84.11 ? 724 CYS A SG 1 ATOM 5474 N N . ILE B 2 47 ? -35.986 -47.660 35.277 1.00 77.48 ? 725 ILE A N 1 ATOM 5475 C CA . ILE B 2 47 ? -36.023 -48.705 36.295 1.00 77.17 ? 725 ILE A CA 1 ATOM 5476 C C . ILE B 2 47 ? -36.484 -50.028 35.692 1.00 77.59 ? 725 ILE A C 1 ATOM 5477 O O . ILE B 2 47 ? -35.963 -51.094 36.039 1.00 77.25 ? 725 ILE A O 1 ATOM 5478 C CB . ILE B 2 47 ? -36.915 -48.270 37.474 1.00 77.47 ? 725 ILE A CB 1 ATOM 5479 C CG1 . ILE B 2 47 ? -36.236 -47.154 38.273 1.00 79.22 ? 725 ILE A CG1 1 ATOM 5480 C CG2 . ILE B 2 47 ? -37.238 -49.449 38.380 1.00 74.29 ? 725 ILE A CG2 1 ATOM 5481 C CD1 . ILE B 2 47 ? -37.027 -46.702 39.484 1.00 80.89 ? 725 ILE A CD1 1 ATOM 5482 N N . LYS B 2 48 ? -37.454 -49.987 34.772 1.00 79.71 ? 726 LYS A N 1 ATOM 5483 C CA . LYS B 2 48 ? -37.965 -51.224 34.183 1.00 82.06 ? 726 LYS A CA 1 ATOM 5484 C C . LYS B 2 48 ? -36.987 -51.825 33.179 1.00 80.97 ? 726 LYS A C 1 ATOM 5485 O O . LYS B 2 48 ? -36.833 -53.051 33.123 1.00 82.34 ? 726 LYS A O 1 ATOM 5486 C CB . LYS B 2 48 ? -39.317 -50.989 33.509 1.00 84.81 ? 726 LYS A CB 1 ATOM 5487 C CG . LYS B 2 48 ? -40.028 -52.289 33.165 1.00 86.22 ? 726 LYS A CG 1 ATOM 5488 C CD . LYS B 2 48 ? -40.980 -52.140 31.999 1.00 89.69 ? 726 LYS A CD 1 ATOM 5489 C CE . LYS B 2 48 ? -41.626 -53.476 31.674 1.00 93.43 ? 726 LYS A CE 1 ATOM 5490 N NZ . LYS B 2 48 ? -42.358 -53.458 30.381 1.00 94.88 ? 726 LYS A NZ 1 ATOM 5491 N N . ALA B 2 49 ? -36.338 -50.989 32.362 1.00 77.47 ? 727 ALA A N 1 ATOM 5492 C CA . ALA B 2 49 ? -35.301 -51.499 31.469 1.00 75.23 ? 727 ALA A CA 1 ATOM 5493 C C . ALA B 2 49 ? -34.143 -52.083 32.266 1.00 75.19 ? 727 ALA A C 1 ATOM 5494 O O . ALA B 2 49 ? -33.672 -53.194 31.985 1.00 76.91 ? 727 ALA A O 1 ATOM 5495 C CB . ALA B 2 49 ? -34.810 -50.386 30.543 1.00 74.17 ? 727 ALA A CB 1 ATOM 5496 N N . PHE B 2 50 ? -33.673 -51.338 33.271 1.00 72.39 ? 728 PHE A N 1 ATOM 5497 C CA . PHE B 2 50 ? -32.610 -51.820 34.146 1.00 68.87 ? 728 PHE A CA 1 ATOM 5498 C C . PHE B 2 50 ? -32.982 -53.153 34.781 1.00 67.32 ? 728 PHE A C 1 ATOM 5499 O O . PHE B 2 50 ? -32.176 -54.089 34.806 1.00 67.98 ? 728 PHE A O 1 ATOM 5500 C CB . PHE B 2 50 ? -32.322 -50.776 35.226 1.00 67.11 ? 728 PHE A CB 1 ATOM 5501 C CG . PHE B 2 50 ? -31.231 -51.168 36.188 1.00 62.11 ? 728 PHE A CG 1 ATOM 5502 C CD1 . PHE B 2 50 ? -31.487 -52.025 37.247 1.00 61.53 ? 728 PHE A CD1 1 ATOM 5503 C CD2 . PHE B 2 50 ? -29.956 -50.650 36.049 1.00 61.72 ? 728 PHE A CD2 1 ATOM 5504 C CE1 . PHE B 2 50 ? -30.488 -52.380 38.127 1.00 64.98 ? 728 PHE A CE1 1 ATOM 5505 C CE2 . PHE B 2 50 ? -28.953 -50.998 36.929 1.00 61.82 ? 728 PHE A CE2 1 ATOM 5506 C CZ . PHE B 2 50 ? -29.219 -51.868 37.968 1.00 64.92 ? 728 PHE A CZ 1 ATOM 5507 N N . THR B 2 51 ? -34.195 -53.246 35.326 1.00 67.13 ? 729 THR A N 1 ATOM 5508 C CA . THR B 2 51 ? -34.603 -54.471 36.003 1.00 70.26 ? 729 THR A CA 1 ATOM 5509 C C . THR B 2 51 ? -34.704 -55.630 35.024 1.00 76.18 ? 729 THR A C 1 ATOM 5510 O O . THR B 2 51 ? -34.255 -56.742 35.325 1.00 78.93 ? 729 THR A O 1 ATOM 5511 C CB . THR B 2 51 ? -35.933 -54.254 36.724 1.00 70.44 ? 729 THR A CB 1 ATOM 5512 O OG1 . THR B 2 51 ? -35.827 -53.109 37.578 1.00 72.58 ? 729 THR A OG1 1 ATOM 5513 C CG2 . THR B 2 51 ? -36.293 -55.471 37.568 1.00 68.58 ? 729 THR A CG2 1 ATOM 5514 N N . GLU B 2 52 ? -35.277 -55.389 33.843 1.00 78.90 ? 730 GLU A N 1 ATOM 5515 C CA . GLU B 2 52 ? -35.389 -56.445 32.843 1.00 80.20 ? 730 GLU A CA 1 ATOM 5516 C C . GLU B 2 52 ? -34.014 -56.971 32.455 1.00 76.55 ? 730 GLU A C 1 ATOM 5517 O O . GLU B 2 52 ? -33.719 -58.162 32.613 1.00 74.83 ? 730 GLU A O 1 ATOM 5518 C CB . GLU B 2 52 ? -36.136 -55.934 31.610 1.00 86.58 ? 730 GLU A CB 1 ATOM 5519 C CG . GLU B 2 52 ? -37.648 -55.919 31.749 1.00 95.48 ? 730 GLU A CG 1 ATOM 5520 C CD . GLU B 2 52 ? -38.348 -55.735 30.415 1.00 103.71 ? 730 GLU A CD 1 ATOM 5521 O OE1 . GLU B 2 52 ? -37.648 -55.600 29.387 1.00 104.60 ? 730 GLU A OE1 1 ATOM 5522 O OE2 . GLU B 2 52 ? -39.597 -55.729 30.392 1.00 107.91 ? 730 GLU A OE2 1 ATOM 5523 N N . CYS B 2 53 ? -33.149 -56.085 31.954 1.00 74.58 ? 731 CYS A N 1 ATOM 5524 C CA . CYS B 2 53 ? -31.844 -56.535 31.482 1.00 76.83 ? 731 CYS A CA 1 ATOM 5525 C C . CYS B 2 53 ? -31.005 -57.103 32.620 1.00 79.69 ? 731 CYS A C 1 ATOM 5526 O O . CYS B 2 53 ? -30.176 -57.994 32.396 1.00 81.99 ? 731 CYS A O 1 ATOM 5527 C CB . CYS B 2 53 ? -31.128 -55.384 30.777 1.00 77.81 ? 731 CYS A CB 1 ATOM 5528 S SG . CYS B 2 53 ? -32.060 -54.766 29.344 1.00 84.35 ? 731 CYS A SG 1 ATOM 5529 N N . CYS B 2 54 ? -31.230 -56.632 33.847 1.00 78.75 ? 732 CYS A N 1 ATOM 5530 C CA . CYS B 2 54 ? -30.526 -57.191 34.995 1.00 76.74 ? 732 CYS A CA 1 ATOM 5531 C C . CYS B 2 54 ? -30.972 -58.622 35.266 1.00 79.55 ? 732 CYS A C 1 ATOM 5532 O O . CYS B 2 54 ? -30.140 -59.515 35.464 1.00 82.19 ? 732 CYS A O 1 ATOM 5533 C CB . CYS B 2 54 ? -30.751 -56.317 36.228 1.00 74.24 ? 732 CYS A CB 1 ATOM 5534 S SG . CYS B 2 54 ? -29.925 -56.925 37.716 1.00 73.44 ? 732 CYS A SG 1 ATOM 5535 N N . VAL B 2 55 ? -32.285 -58.858 35.280 1.00 79.26 ? 733 VAL A N 1 ATOM 5536 C CA . VAL B 2 55 ? -32.801 -60.190 35.582 1.00 83.35 ? 733 VAL A CA 1 ATOM 5537 C C . VAL B 2 55 ? -32.414 -61.175 34.485 1.00 87.52 ? 733 VAL A C 1 ATOM 5538 O O . VAL B 2 55 ? -31.945 -62.286 34.762 1.00 88.82 ? 733 VAL A O 1 ATOM 5539 C CB . VAL B 2 55 ? -34.326 -60.140 35.790 1.00 84.30 ? 733 VAL A CB 1 ATOM 5540 C CG1 . VAL B 2 55 ? -34.911 -61.542 35.752 1.00 88.94 ? 733 VAL A CG1 1 ATOM 5541 C CG2 . VAL B 2 55 ? -34.662 -59.457 37.110 1.00 80.00 ? 733 VAL A CG2 1 ATOM 5542 N N . VAL B 2 56 ? -32.590 -60.780 33.223 1.00 87.45 ? 734 VAL A N 1 ATOM 5543 C CA . VAL B 2 56 ? -32.253 -61.676 32.121 1.00 85.70 ? 734 VAL A CA 1 ATOM 5544 C C . VAL B 2 56 ? -30.755 -61.948 32.088 1.00 82.67 ? 734 VAL A C 1 ATOM 5545 O O . VAL B 2 56 ? -30.323 -63.084 31.858 1.00 83.41 ? 734 VAL A O 1 ATOM 5546 C CB . VAL B 2 56 ? -32.755 -61.099 30.788 1.00 86.28 ? 734 VAL A CB 1 ATOM 5547 C CG1 . VAL B 2 56 ? -32.440 -62.057 29.657 1.00 87.39 ? 734 VAL A CG1 1 ATOM 5548 C CG2 . VAL B 2 56 ? -34.250 -60.829 30.861 1.00 87.20 ? 734 VAL A CG2 1 ATOM 5549 N N . ALA B 2 57 ? -29.938 -60.917 32.324 1.00 80.27 ? 735 ALA A N 1 ATOM 5550 C CA . ALA B 2 57 ? -28.493 -61.121 32.352 1.00 77.04 ? 735 ALA A CA 1 ATOM 5551 C C . ALA B 2 57 ? -28.087 -62.050 33.490 1.00 78.92 ? 735 ALA A C 1 ATOM 5552 O O . ALA B 2 57 ? -27.178 -62.873 33.333 1.00 77.84 ? 735 ALA A O 1 ATOM 5553 C CB . ALA B 2 57 ? -27.774 -59.779 32.470 1.00 71.64 ? 735 ALA A CB 1 ATOM 5554 N N . SER B 2 58 ? -28.749 -61.936 34.645 1.00 82.56 ? 736 SER A N 1 ATOM 5555 C CA . SER B 2 58 ? -28.439 -62.826 35.760 1.00 86.38 ? 736 SER A CA 1 ATOM 5556 C C . SER B 2 58 ? -28.873 -64.257 35.473 1.00 88.57 ? 736 SER A C 1 ATOM 5557 O O . SER B 2 58 ? -28.217 -65.204 35.920 1.00 88.82 ? 736 SER A O 1 ATOM 5558 C CB . SER B 2 58 ? -29.100 -62.321 37.041 1.00 90.33 ? 736 SER A CB 1 ATOM 5559 O OG . SER B 2 58 ? -28.562 -61.071 37.433 1.00 95.32 ? 736 SER A OG 1 ATOM 5560 N N . GLN B 2 59 ? -29.971 -64.436 34.737 1.00 91.08 ? 737 GLN A N 1 ATOM 5561 C CA . GLN B 2 59 ? -30.399 -65.787 34.394 1.00 96.22 ? 737 GLN A CA 1 ATOM 5562 C C . GLN B 2 59 ? -29.467 -66.416 33.365 1.00 97.60 ? 737 GLN A C 1 ATOM 5563 O O . GLN B 2 59 ? -29.153 -67.609 33.453 1.00 108.52 ? 737 GLN A O 1 ATOM 5564 C CB . GLN B 2 59 ? -31.840 -65.772 33.884 1.00 100.19 ? 737 GLN A CB 1 ATOM 5565 C CG . GLN B 2 59 ? -32.869 -65.381 34.934 1.00 100.02 ? 737 GLN A CG 1 ATOM 5566 C CD . GLN B 2 59 ? -34.292 -65.627 34.472 1.00 102.40 ? 737 GLN A CD 1 ATOM 5567 O OE1 . GLN B 2 59 ? -34.788 -66.752 34.531 1.00 106.88 ? 737 GLN A OE1 1 ATOM 5568 N NE2 . GLN B 2 59 ? -34.955 -64.576 34.004 1.00 100.62 ? 737 GLN A NE2 1 ATOM 5569 N N . LEU B 2 60 ? -29.006 -65.631 32.387 1.00 90.71 ? 738 LEU A N 1 ATOM 5570 C CA . LEU B 2 60 ? -28.108 -66.178 31.375 1.00 87.89 ? 738 LEU A CA 1 ATOM 5571 C C . LEU B 2 60 ? -26.732 -66.496 31.949 1.00 93.12 ? 738 LEU A C 1 ATOM 5572 O O . LEU B 2 60 ? -26.081 -67.445 31.497 1.00 98.67 ? 738 LEU A O 1 ATOM 5573 C CB . LEU B 2 60 ? -27.980 -65.210 30.199 1.00 81.50 ? 738 LEU A CB 1 ATOM 5574 C CG . LEU B 2 60 ? -29.227 -65.040 29.328 1.00 81.83 ? 738 LEU A CG 1 ATOM 5575 C CD1 . LEU B 2 60 ? -28.933 -64.150 28.125 1.00 80.22 ? 738 LEU A CD1 1 ATOM 5576 C CD2 . LEU B 2 60 ? -29.774 -66.392 28.884 1.00 86.54 ? 738 LEU A CD2 1 ATOM 5577 N N . ARG B 2 61 ? -26.273 -65.730 32.940 1.00 91.57 ? 739 ARG A N 1 ATOM 5578 C CA . ARG B 2 61 ? -24.958 -65.963 33.540 1.00 90.15 ? 739 ARG A CA 1 ATOM 5579 C C . ARG B 2 61 ? -24.913 -67.189 34.439 1.00 92.96 ? 739 ARG A C 1 ATOM 5580 O O . ARG B 2 61 ? -23.923 -67.362 35.162 1.00 91.33 ? 739 ARG A O 1 ATOM 5581 C CB . ARG B 2 61 ? -24.511 -64.734 34.332 1.00 87.76 ? 739 ARG A CB 1 ATOM 5582 C CG . ARG B 2 61 ? -23.920 -63.620 33.486 1.00 88.15 ? 739 ARG A CG 1 ATOM 5583 C CD . ARG B 2 61 ? -23.276 -62.555 34.362 1.00 89.01 ? 739 ARG A CD 1 ATOM 5584 N NE . ARG B 2 61 ? -24.245 -61.915 35.248 1.00 90.35 ? 739 ARG A NE 1 ATOM 5585 C CZ . ARG B 2 61 ? -24.924 -60.818 34.935 1.00 91.66 ? 739 ARG A CZ 1 ATOM 5586 N NH1 . ARG B 2 61 ? -24.736 -60.238 33.758 1.00 94.53 ? 739 ARG A NH1 1 ATOM 5587 N NH2 . ARG B 2 61 ? -25.790 -60.298 35.796 1.00 89.76 ? 739 ARG A NH2 1 ATOM 5588 N N . ALA B 2 62 ? -25.926 -68.049 34.448 1.00 97.77 ? 740 ALA A N 1 ATOM 5589 C CA . ALA B 2 62 ? -25.888 -69.255 35.262 1.00 101.59 ? 740 ALA A CA 1 ATOM 5590 C C . ALA B 2 62 ? -25.144 -70.349 34.506 1.00 106.82 ? 740 ALA A C 1 ATOM 5591 O O . ALA B 2 62 ? -25.523 -70.699 33.382 1.00 109.51 ? 740 ALA A O 1 ATOM 5592 C CB . ALA B 2 62 ? -27.303 -69.706 35.617 1.00 101.32 ? 740 ALA A CB 1 ATOM 5593 N N . ASN B 2 63 ? -24.084 -70.879 35.122 1.00 108.14 ? 741 ASN A N 1 ATOM 5594 C CA . ASN B 2 63 ? -23.282 -71.959 34.543 1.00 115.47 ? 741 ASN A CA 1 ATOM 5595 C C . ASN B 2 63 ? -22.749 -71.574 33.161 1.00 116.33 ? 741 ASN A C 1 ATOM 5596 O O . ASN B 2 63 ? -22.858 -72.329 32.193 1.00 121.10 ? 741 ASN A O 1 ATOM 5597 C CB . ASN B 2 63 ? -24.081 -73.268 34.477 1.00 121.17 ? 741 ASN A CB 1 ATOM 5598 C CG . ASN B 2 63 ? -24.517 -73.768 35.849 1.00 122.25 ? 741 ASN A CG 1 ATOM 5599 O OD1 . ASN B 2 63 ? -23.810 -74.540 36.497 1.00 123.91 ? 741 ASN A OD1 1 ATOM 5600 N ND2 . ASN B 2 63 ? -25.697 -73.341 36.286 1.00 122.03 ? 741 ASN A ND2 1 ATOM 5601 N N . ILE B 2 64 ? -22.169 -70.378 33.073 1.00 111.99 ? 742 ILE A N 1 ATOM 5602 C CA . ILE B 2 64 ? -21.632 -69.881 31.811 1.00 109.68 ? 742 ILE A CA 1 ATOM 5603 C C . ILE B 2 64 ? -20.205 -70.376 31.622 1.00 110.92 ? 742 ILE A C 1 ATOM 5604 O O . ILE B 2 64 ? -19.616 -70.978 32.526 1.00 110.69 ? 742 ILE A O 1 ATOM 5605 C CB . ILE B 2 64 ? -21.683 -68.341 31.739 1.00 102.21 ? 742 ILE A CB 1 ATOM 5606 C CG1 . ILE B 2 64 ? -21.495 -67.717 33.127 1.00 99.85 ? 742 ILE A CG1 1 ATOM 5607 C CG2 . ILE B 2 64 ? -22.973 -67.877 31.085 1.00 96.71 ? 742 ILE A CG2 1 ATOM 5608 C CD1 . ILE B 2 64 ? -20.067 -67.745 33.651 1.00 99.11 ? 742 ILE A CD1 1 ATOM 5609 N N . SER B 2 65 ? -19.650 -70.129 30.442 1.00 111.82 ? 743 SER A N 1 ATOM 5610 C CA . SER B 2 65 ? -18.233 -70.301 30.179 1.00 113.36 ? 743 SER A CA 1 ATOM 5611 C C . SER B 2 65 ? -17.600 -68.929 30.004 1.00 114.98 ? 743 SER A C 1 ATOM 5612 O O . SER B 2 65 ? -18.279 -67.947 29.690 1.00 114.87 ? 743 SER A O 1 ATOM 5613 C CB . SER B 2 65 ? -17.997 -71.157 28.931 1.00 113.75 ? 743 SER A CB 1 ATOM 5614 O OG . SER B 2 65 ? -18.406 -70.469 27.763 1.00 112.07 ? 743 SER A OG 1 ATOM 5615 N N . HIS B 2 66 ? -16.284 -68.867 30.220 1.00 118.86 ? 744 HIS A N 1 ATOM 5616 C CA . HIS B 2 66 ? -15.583 -67.592 30.096 1.00 124.14 ? 744 HIS A CA 1 ATOM 5617 C C . HIS B 2 66 ? -15.719 -67.023 28.687 1.00 121.33 ? 744 HIS A C 1 ATOM 5618 O O . HIS B 2 66 ? -15.869 -65.807 28.512 1.00 121.80 ? 744 HIS A O 1 ATOM 5619 C CB . HIS B 2 66 ? -14.113 -67.762 30.480 1.00 131.54 ? 744 HIS A CB 1 ATOM 5620 C CG . HIS B 2 66 ? -13.897 -68.015 31.942 1.00 140.14 ? 744 HIS A CG 1 ATOM 5621 N ND1 . HIS B 2 66 ? -13.343 -67.077 32.786 1.00 141.42 ? 744 HIS A ND1 1 ATOM 5622 C CD2 . HIS B 2 66 ? -14.170 -69.097 32.710 1.00 143.97 ? 744 HIS A CD2 1 ATOM 5623 C CE1 . HIS B 2 66 ? -13.279 -67.571 34.010 1.00 142.26 ? 744 HIS A CE1 1 ATOM 5624 N NE2 . HIS B 2 66 ? -13.775 -68.795 33.991 1.00 143.95 ? 744 HIS A NE2 1 ATOM 5625 N N . LYS B 2 67 ? -15.695 -67.889 27.671 1.00 118.06 ? 745 LYS A N 1 ATOM 5626 C CA . LYS B 2 67 ? -15.883 -67.414 26.305 1.00 110.83 ? 745 LYS A CA 1 ATOM 5627 C C . LYS B 2 67 ? -17.300 -66.895 26.093 1.00 109.66 ? 745 LYS A C 1 ATOM 5628 O O . LYS B 2 67 ? -17.500 -65.898 25.391 1.00 108.25 ? 745 LYS A O 1 ATOM 5629 C CB . LYS B 2 67 ? -15.560 -68.526 25.308 1.00 105.31 ? 745 LYS A CB 1 ATOM 5630 C CG . LYS B 2 67 ? -15.611 -68.080 23.855 1.00 100.86 ? 745 LYS A CG 1 ATOM 5631 C CD . LYS B 2 67 ? -15.269 -69.223 22.913 1.00 100.00 ? 745 LYS A CD 1 ATOM 5632 C CE . LYS B 2 67 ? -15.312 -68.779 21.458 1.00 97.86 ? 745 LYS A CE 1 ATOM 5633 N NZ . LYS B 2 67 ? -14.927 -69.876 20.524 1.00 99.90 ? 745 LYS A NZ 1 ATOM 5634 N N . ASP B 2 68 ? -18.296 -67.552 26.694 1.00 110.73 ? 746 ASP A N 1 ATOM 5635 C CA . ASP B 2 68 ? -19.670 -67.077 26.563 1.00 111.44 ? 746 ASP A CA 1 ATOM 5636 C C . ASP B 2 68 ? -19.866 -65.747 27.280 1.00 110.03 ? 746 ASP A C 1 ATOM 5637 O O . ASP B 2 68 ? -20.521 -64.842 26.751 1.00 107.86 ? 746 ASP A O 1 ATOM 5638 C CB . ASP B 2 68 ? -20.649 -68.125 27.094 1.00 113.56 ? 746 ASP A CB 1 ATOM 5639 C CG . ASP B 2 68 ? -20.787 -69.320 26.166 1.00 118.13 ? 746 ASP A CG 1 ATOM 5640 O OD1 . ASP B 2 68 ? -20.175 -70.370 26.452 1.00 118.83 ? 746 ASP A OD1 1 ATOM 5641 O OD2 . ASP B 2 68 ? -21.506 -69.210 25.149 1.00 120.39 ? 746 ASP A OD2 1 ATOM 5642 N N . MET B 2 69 ? -19.306 -65.611 28.485 1.00 113.47 ? 747 MET A N 1 ATOM 5643 C CA . MET B 2 69 ? -19.381 -64.341 29.202 1.00 116.01 ? 747 MET A CA 1 ATOM 5644 C C . MET B 2 69 ? -18.726 -63.223 28.403 1.00 115.17 ? 747 MET A C 1 ATOM 5645 O O . MET B 2 69 ? -19.298 -62.137 28.243 1.00 112.33 ? 747 MET A O 1 ATOM 5646 C CB . MET B 2 69 ? -18.722 -64.477 30.577 1.00 118.87 ? 747 MET A CB 1 ATOM 5647 C CG . MET B 2 69 ? -19.695 -64.640 31.735 1.00 119.96 ? 747 MET A CG 1 ATOM 5648 S SD . MET B 2 69 ? -20.106 -63.075 32.537 1.00 117.56 ? 747 MET A SD 1 ATOM 5649 C CE . MET B 2 69 ? -18.520 -62.626 33.237 1.00 116.53 ? 747 MET A CE 1 ATOM 5650 N N . GLN B 2 70 ? -17.523 -63.476 27.882 1.00 118.23 ? 748 GLN A N 1 ATOM 5651 C CA . GLN B 2 70 ? -16.805 -62.438 27.150 1.00 122.19 ? 748 GLN A CA 1 ATOM 5652 C C . GLN B 2 70 ? -17.514 -62.083 25.846 1.00 118.87 ? 748 GLN A C 1 ATOM 5653 O O . GLN B 2 70 ? -17.555 -60.910 25.457 1.00 118.53 ? 748 GLN A O 1 ATOM 5654 C CB . GLN B 2 70 ? -15.366 -62.885 26.891 1.00 130.80 ? 748 GLN A CB 1 ATOM 5655 C CG . GLN B 2 70 ? -14.497 -62.908 28.147 1.00 137.41 ? 748 GLN A CG 1 ATOM 5656 C CD . GLN B 2 70 ? -13.231 -63.732 27.979 1.00 143.48 ? 748 GLN A CD 1 ATOM 5657 O OE1 . GLN B 2 70 ? -13.114 -64.530 27.049 1.00 149.02 ? 748 GLN A OE1 1 ATOM 5658 N NE2 . GLN B 2 70 ? -12.277 -63.544 28.884 1.00 143.22 ? 748 GLN A NE2 1 ATOM 5659 N N . LEU B 2 71 ? -18.086 -63.078 25.162 1.00 116.05 ? 749 LEU A N 1 ATOM 5660 C CA . LEU B 2 71 ? -18.838 -62.794 23.943 1.00 109.55 ? 749 LEU A CA 1 ATOM 5661 C C . LEU B 2 71 ? -20.101 -62.000 24.249 1.00 112.76 ? 749 LEU A C 1 ATOM 5662 O O . LEU B 2 71 ? -20.488 -61.116 23.475 1.00 111.18 ? 749 LEU A O 1 ATOM 5663 C CB . LEU B 2 71 ? -19.181 -64.096 23.218 1.00 101.69 ? 749 LEU A CB 1 ATOM 5664 C CG . LEU B 2 71 ? -18.053 -64.765 22.426 1.00 91.42 ? 749 LEU A CG 1 ATOM 5665 C CD1 . LEU B 2 71 ? -18.497 -66.121 21.882 1.00 86.90 ? 749 LEU A CD1 1 ATOM 5666 C CD2 . LEU B 2 71 ? -17.562 -63.852 21.305 1.00 87.13 ? 749 LEU A CD2 1 ATOM 5667 N N . GLY B 2 72 ? -20.758 -62.303 25.371 1.00 117.66 ? 750 GLY A N 1 ATOM 5668 C CA . GLY B 2 72 ? -21.907 -61.512 25.780 1.00 120.86 ? 750 GLY A CA 1 ATOM 5669 C C . GLY B 2 72 ? -21.540 -60.072 26.080 1.00 122.42 ? 750 GLY A C 1 ATOM 5670 O O . GLY B 2 72 ? -22.243 -59.142 25.669 1.00 123.78 ? 750 GLY A O 1 ATOM 5671 N N . ARG B 2 73 ? -20.429 -59.865 26.794 1.00 124.68 ? 751 ARG A N 1 ATOM 5672 C CA . ARG B 2 73 ? -19.932 -58.511 27.009 1.00 124.11 ? 751 ARG A CA 1 ATOM 5673 C C . ARG B 2 73 ? -19.517 -57.845 25.704 1.00 121.50 ? 751 ARG A C 1 ATOM 5674 O O . ARG B 2 73 ? -19.502 -56.612 25.626 1.00 119.52 ? 751 ARG A O 1 ATOM 5675 C CB . ARG B 2 73 ? -18.758 -58.522 27.992 1.00 126.13 ? 751 ARG A CB 1 ATOM 5676 C CG . ARG B 2 73 ? -19.075 -59.148 29.344 1.00 128.37 ? 751 ARG A CG 1 ATOM 5677 C CD . ARG B 2 73 ? -17.958 -58.901 30.349 1.00 129.95 ? 751 ARG A CD 1 ATOM 5678 N NE . ARG B 2 73 ? -18.278 -57.810 31.265 1.00 131.71 ? 751 ARG A NE 1 ATOM 5679 C CZ . ARG B 2 73 ? -18.778 -57.986 32.485 1.00 132.91 ? 751 ARG A CZ 1 ATOM 5680 N NH1 . ARG B 2 73 ? -19.007 -59.212 32.933 1.00 135.03 ? 751 ARG A NH1 1 ATOM 5681 N NH2 . ARG B 2 73 ? -19.044 -56.939 33.257 1.00 129.80 ? 751 ARG A NH2 1 ATOM 5682 N N . LEU B 2 74 ? -19.180 -58.629 24.677 1.00 122.10 ? 752 LEU A N 1 ATOM 5683 C CA . LEU B 2 74 ? -18.918 -58.046 23.366 1.00 124.54 ? 752 LEU A CA 1 ATOM 5684 C C . LEU B 2 74 ? -20.207 -57.573 22.707 1.00 125.89 ? 752 LEU A C 1 ATOM 5685 O O . LEU B 2 74 ? -20.253 -56.476 22.139 1.00 126.56 ? 752 LEU A O 1 ATOM 5686 C CB . LEU B 2 74 ? -18.201 -59.055 22.470 1.00 127.66 ? 752 LEU A CB 1 ATOM 5687 C CG . LEU B 2 74 ? -16.731 -59.342 22.772 1.00 126.33 ? 752 LEU A CG 1 ATOM 5688 C CD1 . LEU B 2 74 ? -16.230 -60.450 21.863 1.00 129.33 ? 752 LEU A CD1 1 ATOM 5689 C CD2 . LEU B 2 74 ? -15.889 -58.082 22.614 1.00 121.91 ? 752 LEU A CD2 1 ATOM 5690 N N . HIS B 2 75 ? -21.263 -58.390 22.768 1.00 127.81 ? 753 HIS A N 1 ATOM 5691 C CA . HIS B 2 75 ? -22.544 -57.995 22.186 1.00 124.65 ? 753 HIS A CA 1 ATOM 5692 C C . HIS B 2 75 ? -23.101 -56.755 22.875 1.00 116.88 ? 753 HIS A C 1 ATOM 5693 O O . HIS B 2 75 ? -23.528 -55.801 22.214 1.00 115.43 ? 753 HIS A O 1 ATOM 5694 C CB . HIS B 2 75 ? -23.543 -59.152 22.273 1.00 129.76 ? 753 HIS A CB 1 ATOM 5695 C CG . HIS B 2 75 ? -23.385 -60.175 21.192 1.00 137.26 ? 753 HIS A CG 1 ATOM 5696 N ND1 . HIS B 2 75 ? -22.701 -59.923 20.022 1.00 140.40 ? 753 HIS A ND1 1 ATOM 5697 C CD2 . HIS B 2 75 ? -23.826 -61.452 21.102 1.00 141.91 ? 753 HIS A CD2 1 ATOM 5698 C CE1 . HIS B 2 75 ? -22.726 -61.001 19.259 1.00 144.41 ? 753 HIS A CE1 1 ATOM 5699 N NE2 . HIS B 2 75 ? -23.402 -61.943 19.891 1.00 145.17 ? 753 HIS A NE2 1 ATOM 5700 N N . MET B 2 76 ? -23.102 -56.751 24.211 1.00 110.85 ? 754 MET A N 1 ATOM 5701 C CA . MET B 2 76 ? -23.659 -55.616 24.941 1.00 102.54 ? 754 MET A CA 1 ATOM 5702 C C . MET B 2 76 ? -22.768 -54.387 24.827 1.00 100.67 ? 754 MET A C 1 ATOM 5703 O O . MET B 2 76 ? -23.260 -53.275 24.600 1.00 95.90 ? 754 MET A O 1 ATOM 5704 C CB . MET B 2 76 ? -23.862 -55.987 26.410 1.00 96.18 ? 754 MET A CB 1 ATOM 5705 C CG . MET B 2 76 ? -24.817 -57.144 26.638 1.00 96.89 ? 754 MET A CG 1 ATOM 5706 S SD . MET B 2 76 ? -26.536 -56.700 26.333 1.00 98.66 ? 754 MET A SD 1 ATOM 5707 C CE . MET B 2 76 ? -26.774 -55.421 27.563 1.00 96.40 ? 754 MET A CE 1 ATOM 5708 N N . LYS B 2 77 ? -21.453 -54.572 24.965 1.00 108.35 ? 755 LYS A N 1 ATOM 5709 C CA . LYS B 2 77 ? -20.522 -53.463 25.147 1.00 119.88 ? 755 LYS A CA 1 ATOM 5710 C C . LYS B 2 77 ? -20.317 -52.635 23.886 1.00 135.33 ? 755 LYS A C 1 ATOM 5711 O O . LYS B 2 77 ? -19.683 -51.577 23.958 1.00 135.44 ? 755 LYS A O 1 ATOM 5712 C CB . LYS B 2 77 ? -19.177 -54.002 25.651 1.00 118.19 ? 755 LYS A CB 1 ATOM 5713 C CG . LYS B 2 77 ? -18.311 -52.982 26.391 1.00 113.96 ? 755 LYS A CG 1 ATOM 5714 C CD . LYS B 2 77 ? -17.272 -53.659 27.281 1.00 112.17 ? 755 LYS A CD 1 ATOM 5715 C CE . LYS B 2 77 ? -17.938 -54.449 28.397 1.00 113.18 ? 755 LYS A CE 1 ATOM 5716 N NZ . LYS B 2 77 ? -16.950 -55.069 29.322 1.00 114.32 ? 755 LYS A NZ 1 ATOM 5717 N N . THR B 2 78 ? -20.838 -53.069 22.742 1.00 150.58 ? 756 THR A N 1 ATOM 5718 C CA . THR B 2 78 ? -20.649 -52.347 21.491 1.00 153.52 ? 756 THR A CA 1 ATOM 5719 C C . THR B 2 78 ? -21.917 -51.665 21.004 1.00 153.76 ? 756 THR A C 1 ATOM 5720 O O . THR B 2 78 ? -21.879 -50.494 20.608 1.00 157.96 ? 756 THR A O 1 ATOM 5721 C CB . THR B 2 78 ? -20.124 -53.302 20.408 1.00 155.50 ? 756 THR A CB 1 ATOM 5722 O OG1 . THR B 2 78 ? -18.908 -53.911 20.856 1.00 156.52 ? 756 THR A OG1 1 ATOM 5723 C CG2 . THR B 2 78 ? -19.857 -52.550 19.112 1.00 156.72 ? 756 THR A CG2 1 ATOM 5724 N N . LEU B 2 79 ? -23.050 -52.365 21.034 1.00 142.29 ? 757 LEU A N 1 ATOM 5725 C CA . LEU B 2 79 ? -24.249 -51.834 20.399 1.00 133.05 ? 757 LEU A CA 1 ATOM 5726 C C . LEU B 2 79 ? -24.896 -50.731 21.226 1.00 123.77 ? 757 LEU A C 1 ATOM 5727 O O . LEU B 2 79 ? -25.456 -49.785 20.662 1.00 123.00 ? 757 LEU A O 1 ATOM 5728 C CB . LEU B 2 79 ? -25.247 -52.961 20.144 1.00 134.13 ? 757 LEU A CB 1 ATOM 5729 C CG . LEU B 2 79 ? -24.731 -54.149 19.334 1.00 136.15 ? 757 LEU A CG 1 ATOM 5730 C CD1 . LEU B 2 79 ? -25.863 -55.112 19.024 1.00 137.86 ? 757 LEU A CD1 1 ATOM 5731 C CD2 . LEU B 2 79 ? -24.059 -53.686 18.051 1.00 137.26 ? 757 LEU A CD2 1 ATOM 5732 N N . LEU B 2 80 ? -24.817 -50.817 22.548 1.00 115.19 ? 758 LEU A N 1 ATOM 5733 C CA . LEU B 2 80 ? -25.550 -49.875 23.384 1.00 106.30 ? 758 LEU A CA 1 ATOM 5734 C C . LEU B 2 80 ? -24.749 -48.606 23.683 1.00 104.48 ? 758 LEU A C 1 ATOM 5735 O O . LEU B 2 80 ? -25.284 -47.505 23.504 1.00 107.19 ? 758 LEU A O 1 ATOM 5736 C CB . LEU B 2 80 ? -25.998 -50.558 24.679 1.00 99.20 ? 758 LEU A CB 1 ATOM 5737 C CG . LEU B 2 80 ? -26.902 -51.784 24.519 1.00 93.52 ? 758 LEU A CG 1 ATOM 5738 C CD1 . LEU B 2 80 ? -27.481 -52.212 25.857 1.00 91.20 ? 758 LEU A CD1 1 ATOM 5739 C CD2 . LEU B 2 80 ? -28.014 -51.501 23.533 1.00 92.30 ? 758 LEU A CD2 1 ATOM 5740 N N . PRO B 2 81 ? -23.475 -48.686 24.143 1.00 100.23 ? 759 PRO A N 1 ATOM 5741 C CA . PRO B 2 81 ? -22.743 -47.443 24.436 1.00 97.94 ? 759 PRO A CA 1 ATOM 5742 C C . PRO B 2 81 ? -22.400 -46.650 23.185 1.00 101.63 ? 759 PRO A C 1 ATOM 5743 O O . PRO B 2 81 ? -22.657 -47.099 22.063 1.00 103.35 ? 759 PRO A O 1 ATOM 5744 C CB . PRO B 2 81 ? -21.472 -47.937 25.145 1.00 94.59 ? 759 PRO A CB 1 ATOM 5745 C CG . PRO B 2 81 ? -21.783 -49.323 25.587 1.00 96.19 ? 759 PRO A CG 1 ATOM 5746 C CD . PRO B 2 81 ? -22.679 -49.866 24.523 1.00 99.95 ? 759 PRO A CD 1 ATOM 5747 N N . VAL B 2 82 ? -21.813 -45.469 23.367 1.00 103.35 ? 760 VAL A N 1 ATOM 5748 C CA . VAL B 2 82 ? -21.428 -44.626 22.241 1.00 107.76 ? 760 VAL A CA 1 ATOM 5749 C C . VAL B 2 82 ? -19.912 -44.645 22.095 1.00 111.35 ? 760 VAL A C 1 ATOM 5750 O O . VAL B 2 82 ? -19.351 -45.541 21.455 1.00 114.17 ? 760 VAL A O 1 ATOM 5751 C CB . VAL B 2 82 ? -21.954 -43.190 22.414 1.00 107.36 ? 760 VAL A CB 1 ATOM 5752 C CG1 . VAL B 2 82 ? -21.795 -42.404 21.116 1.00 108.51 ? 760 VAL A CG1 1 ATOM 5753 C CG2 . VAL B 2 82 ? -23.407 -43.214 22.862 1.00 107.06 ? 760 VAL A CG2 1 ATOM 5754 N N . SER B 2 83 ? -19.241 -43.664 22.690 1.00 112.70 ? 761 SER A N 1 ATOM 5755 C CA . SER B 2 83 ? -17.788 -43.559 22.623 1.00 115.67 ? 761 SER A CA 1 ATOM 5756 C C . SER B 2 83 ? -17.340 -42.558 23.679 1.00 116.62 ? 761 SER A C 1 ATOM 5757 O O . SER B 2 83 ? -18.149 -41.813 24.238 1.00 120.18 ? 761 SER A O 1 ATOM 5758 C CB . SER B 2 83 ? -17.316 -43.140 21.228 1.00 117.14 ? 761 SER A CB 1 ATOM 5759 O OG . SER B 2 83 ? -18.044 -42.018 20.763 1.00 118.69 ? 761 SER A OG 1 ATOM 5760 N N . LYS B 2 84 ? -16.037 -42.550 23.946 1.00 113.42 ? 762 LYS A N 1 ATOM 5761 C CA . LYS B 2 84 ? -15.487 -41.662 24.961 1.00 111.38 ? 762 LYS A CA 1 ATOM 5762 C C . LYS B 2 84 ? -14.071 -41.246 24.579 1.00 104.65 ? 762 LYS A C 1 ATOM 5763 O O . LYS B 2 84 ? -13.211 -42.105 24.350 1.00 106.94 ? 762 LYS A O 1 ATOM 5764 C CB . LYS B 2 84 ? -15.502 -42.342 26.331 1.00 116.78 ? 762 LYS A CB 1 ATOM 5765 C CG . LYS B 2 84 ? -15.074 -41.448 27.486 1.00 120.54 ? 762 LYS A CG 1 ATOM 5766 C CD . LYS B 2 84 ? -15.371 -42.103 28.829 1.00 122.75 ? 762 LYS A CD 1 ATOM 5767 C CE . LYS B 2 84 ? -14.927 -41.223 29.987 1.00 124.00 ? 762 LYS A CE 1 ATOM 5768 N NZ . LYS B 2 84 ? -13.451 -41.023 29.991 1.00 124.80 ? 762 LYS A NZ 1 ATOM 5769 N N . PRO B 2 85 ? -13.791 -39.944 24.498 1.00 94.89 ? 763 PRO A N 1 ATOM 5770 C CA . PRO B 2 85 ? -12.454 -39.491 24.083 1.00 89.59 ? 763 PRO A CA 1 ATOM 5771 C C . PRO B 2 85 ? -11.426 -39.732 25.179 1.00 82.48 ? 763 PRO A C 1 ATOM 5772 O O . PRO B 2 85 ? -11.524 -39.172 26.274 1.00 79.94 ? 763 PRO A O 1 ATOM 5773 C CB . PRO B 2 85 ? -12.656 -37.995 23.815 1.00 91.02 ? 763 PRO A CB 1 ATOM 5774 C CG . PRO B 2 85 ? -13.811 -37.616 24.690 1.00 91.20 ? 763 PRO A CG 1 ATOM 5775 C CD . PRO B 2 85 ? -14.711 -38.820 24.748 1.00 92.34 ? 763 PRO A CD 1 ATOM 5776 N N . GLU B 2 86 ? -10.434 -40.567 24.878 1.00 76.29 ? 764 GLU A N 1 ATOM 5777 C CA . GLU B 2 86 ? -9.385 -40.866 25.843 1.00 71.64 ? 764 GLU A CA 1 ATOM 5778 C C . GLU B 2 86 ? -8.137 -41.318 25.100 1.00 62.86 ? 764 GLU A C 1 ATOM 5779 O O . GLU B 2 86 ? -8.190 -41.690 23.926 1.00 62.87 ? 764 GLU A O 1 ATOM 5780 C CB . GLU B 2 86 ? -9.837 -41.922 26.858 1.00 75.64 ? 764 GLU A CB 1 ATOM 5781 C CG . GLU B 2 86 ? -10.303 -43.229 26.250 1.00 83.65 ? 764 GLU A CG 1 ATOM 5782 C CD . GLU B 2 86 ? -10.956 -44.142 27.271 1.00 89.83 ? 764 GLU A CD 1 ATOM 5783 O OE1 . GLU B 2 86 ? -11.430 -43.635 28.311 1.00 87.97 ? 764 GLU A OE1 1 ATOM 5784 O OE2 . GLU B 2 86 ? -10.991 -45.368 27.037 1.00 96.57 ? 764 GLU A OE2 1 ATOM 5785 N N . ILE B 2 87 ? -7.008 -41.268 25.804 1.00 57.74 ? 765 ILE A N 1 ATOM 5786 C CA . ILE B 2 87 ? -5.699 -41.547 25.229 1.00 61.29 ? 765 ILE A CA 1 ATOM 5787 C C . ILE B 2 87 ? -4.915 -42.405 26.213 1.00 67.64 ? 765 ILE A C 1 ATOM 5788 O O . ILE B 2 87 ? -4.999 -42.210 27.431 1.00 65.83 ? 765 ILE A O 1 ATOM 5789 C CB . ILE B 2 87 ? -4.938 -40.244 24.887 1.00 64.81 ? 765 ILE A CB 1 ATOM 5790 C CG1 . ILE B 2 87 ? -3.619 -40.546 24.174 1.00 70.92 ? 765 ILE A CG1 1 ATOM 5791 C CG2 . ILE B 2 87 ? -4.672 -39.413 26.134 1.00 62.07 ? 765 ILE A CG2 1 ATOM 5792 C CD1 . ILE B 2 87 ? -3.786 -41.218 22.830 1.00 74.96 ? 765 ILE A CD1 1 ATOM 5793 N N . ARG B 2 88 ? -4.167 -43.372 25.684 1.00 72.97 ? 766 ARG A N 1 ATOM 5794 C CA . ARG B 2 88 ? -3.377 -44.274 26.507 1.00 76.38 ? 766 ARG A CA 1 ATOM 5795 C C . ARG B 2 88 ? -1.937 -43.817 26.676 1.00 83.87 ? 766 ARG A C 1 ATOM 5796 O O . ARG B 2 88 ? -1.233 -44.346 27.544 1.00 84.96 ? 766 ARG A O 1 ATOM 5797 C CB . ARG B 2 88 ? -3.386 -45.684 25.909 1.00 78.22 ? 766 ARG A CB 1 ATOM 5798 C CG . ARG B 2 88 ? -4.772 -46.276 25.732 1.00 77.97 ? 766 ARG A CG 1 ATOM 5799 C CD . ARG B 2 88 ? -5.335 -46.765 27.048 1.00 76.73 ? 766 ARG A CD 1 ATOM 5800 N NE . ARG B 2 88 ? -6.792 -46.814 27.020 1.00 78.89 ? 766 ARG A NE 1 ATOM 5801 C CZ . ARG B 2 88 ? -7.535 -47.380 27.963 1.00 83.33 ? 766 ARG A CZ 1 ATOM 5802 N NH1 . ARG B 2 88 ? -6.954 -47.958 29.005 1.00 89.44 ? 766 ARG A NH1 1 ATOM 5803 N NH2 . ARG B 2 88 ? -8.857 -47.376 27.861 1.00 81.08 ? 766 ARG A NH2 1 ATOM 5804 N N . SER B 2 89 ? -1.481 -42.862 25.873 1.00 90.26 ? 767 SER A N 1 ATOM 5805 C CA . SER B 2 89 ? -0.110 -42.385 25.925 1.00 94.15 ? 767 SER A CA 1 ATOM 5806 C C . SER B 2 89 ? -0.085 -40.918 26.326 1.00 92.00 ? 767 SER A C 1 ATOM 5807 O O . SER B 2 89 ? -0.997 -40.150 26.005 1.00 96.32 ? 767 SER A O 1 ATOM 5808 C CB . SER B 2 89 ? 0.596 -42.567 24.576 1.00 97.56 ? 767 SER A CB 1 ATOM 5809 O OG . SER B 2 89 ? 0.647 -43.935 24.209 1.00 103.88 ? 767 SER A OG 1 ATOM 5810 N N . TYR B 2 90 ? 0.968 -40.541 27.040 1.00 83.57 ? 768 TYR A N 1 ATOM 5811 C CA . TYR B 2 90 ? 1.213 -39.157 27.409 1.00 74.56 ? 768 TYR A CA 1 ATOM 5812 C C . TYR B 2 90 ? 2.245 -38.560 26.463 1.00 72.97 ? 768 TYR A C 1 ATOM 5813 O O . TYR B 2 90 ? 3.161 -39.252 26.011 1.00 78.37 ? 768 TYR A O 1 ATOM 5814 C CB . TYR B 2 90 ? 1.697 -39.060 28.856 1.00 74.68 ? 768 TYR A CB 1 ATOM 5815 C CG . TYR B 2 90 ? 2.025 -37.657 29.312 1.00 80.15 ? 768 TYR A CG 1 ATOM 5816 C CD1 . TYR B 2 90 ? 1.023 -36.790 29.726 1.00 86.29 ? 768 TYR A CD1 1 ATOM 5817 C CD2 . TYR B 2 90 ? 3.338 -37.199 29.336 1.00 81.85 ? 768 TYR A CD2 1 ATOM 5818 C CE1 . TYR B 2 90 ? 1.316 -35.499 30.148 1.00 89.98 ? 768 TYR A CE1 1 ATOM 5819 C CE2 . TYR B 2 90 ? 3.644 -35.909 29.757 1.00 84.48 ? 768 TYR A CE2 1 ATOM 5820 C CZ . TYR B 2 90 ? 2.627 -35.062 30.161 1.00 88.06 ? 768 TYR A CZ 1 ATOM 5821 O OH . TYR B 2 90 ? 2.914 -33.778 30.581 1.00 86.42 ? 768 TYR A OH 1 ATOM 5822 N N . PHE B 2 91 ? 2.085 -37.278 26.152 1.00 66.12 ? 769 PHE A N 1 ATOM 5823 C CA . PHE B 2 91 ? 3.011 -36.578 25.271 1.00 57.14 ? 769 PHE A CA 1 ATOM 5824 C C . PHE B 2 91 ? 3.668 -35.442 26.039 1.00 57.73 ? 769 PHE A C 1 ATOM 5825 O O . PHE B 2 91 ? 2.957 -34.578 26.580 1.00 57.07 ? 769 PHE A O 1 ATOM 5826 C CB . PHE B 2 91 ? 2.295 -36.040 24.034 1.00 47.69 ? 769 PHE A CB 1 ATOM 5827 C CG . PHE B 2 91 ? 1.587 -37.095 23.237 1.00 47.54 ? 769 PHE A CG 1 ATOM 5828 C CD1 . PHE B 2 91 ? 2.303 -38.099 22.603 1.00 50.24 ? 769 PHE A CD1 1 ATOM 5829 C CD2 . PHE B 2 91 ? 0.206 -37.075 23.108 1.00 44.87 ? 769 PHE A CD2 1 ATOM 5830 C CE1 . PHE B 2 91 ? 1.653 -39.073 21.860 1.00 52.36 ? 769 PHE A CE1 1 ATOM 5831 C CE2 . PHE B 2 91 ? -0.452 -38.045 22.365 1.00 48.40 ? 769 PHE A CE2 1 ATOM 5832 C CZ . PHE B 2 91 ? 0.273 -39.046 21.740 1.00 50.64 ? 769 PHE A CZ 1 ATOM 5833 N N . PRO B 2 92 ? 4.995 -35.387 26.108 1.00 59.11 ? 770 PRO A N 1 ATOM 5834 C CA . PRO B 2 92 ? 5.652 -34.339 26.894 1.00 58.13 ? 770 PRO A CA 1 ATOM 5835 C C . PRO B 2 92 ? 5.419 -32.964 26.288 1.00 61.36 ? 770 PRO A C 1 ATOM 5836 O O . PRO B 2 92 ? 4.974 -32.811 25.149 1.00 63.19 ? 770 PRO A O 1 ATOM 5837 C CB . PRO B 2 92 ? 7.130 -34.732 26.844 1.00 58.90 ? 770 PRO A CB 1 ATOM 5838 C CG . PRO B 2 92 ? 7.262 -35.504 25.573 1.00 61.93 ? 770 PRO A CG 1 ATOM 5839 C CD . PRO B 2 92 ? 5.963 -36.244 25.404 1.00 61.39 ? 770 PRO A CD 1 ATOM 5840 N N . GLU B 2 93 ? 5.721 -31.947 27.090 1.00 66.62 ? 771 GLU A N 1 ATOM 5841 C CA . GLU B 2 93 ? 5.549 -30.574 26.643 1.00 70.08 ? 771 GLU A CA 1 ATOM 5842 C C . GLU B 2 93 ? 6.507 -30.265 25.503 1.00 65.26 ? 771 GLU A C 1 ATOM 5843 O O . GLU B 2 93 ? 7.643 -30.747 25.473 1.00 67.77 ? 771 GLU A O 1 ATOM 5844 C CB . GLU B 2 93 ? 5.783 -29.596 27.794 1.00 83.20 ? 771 GLU A CB 1 ATOM 5845 C CG . GLU B 2 93 ? 4.564 -29.323 28.651 1.00 97.70 ? 771 GLU A CG 1 ATOM 5846 C CD . GLU B 2 93 ? 4.703 -28.041 29.444 1.00 114.80 ? 771 GLU A CD 1 ATOM 5847 O OE1 . GLU B 2 93 ? 5.552 -27.202 29.072 1.00 120.72 ? 771 GLU A OE1 1 ATOM 5848 O OE2 . GLU B 2 93 ? 3.968 -27.872 30.440 1.00 124.78 ? 771 GLU A OE2 1 ATOM 5849 N N . SER B 2 94 ? 6.036 -29.461 24.558 1.00 59.37 ? 772 SER A N 1 ATOM 5850 C CA . SER B 2 94 ? 6.888 -29.008 23.477 1.00 53.40 ? 772 SER A CA 1 ATOM 5851 C C . SER B 2 94 ? 7.850 -27.936 23.980 1.00 50.73 ? 772 SER A C 1 ATOM 5852 O O . SER B 2 94 ? 7.676 -27.362 25.059 1.00 50.93 ? 772 SER A O 1 ATOM 5853 C CB . SER B 2 94 ? 6.039 -28.474 22.329 1.00 52.74 ? 772 SER A CB 1 ATOM 5854 O OG . SER B 2 94 ? 5.081 -29.439 21.936 1.00 54.22 ? 772 SER A OG 1 ATOM 5855 N N . TRP B 2 95 ? 8.882 -27.673 23.183 1.00 50.46 ? 773 TRP A N 1 ATOM 5856 C CA . TRP B 2 95 ? 9.892 -26.684 23.532 1.00 49.91 ? 773 TRP A CA 1 ATOM 5857 C C . TRP B 2 95 ? 10.371 -26.000 22.257 1.00 52.03 ? 773 TRP A C 1 ATOM 5858 O O . TRP B 2 95 ? 9.841 -26.235 21.166 1.00 52.06 ? 773 TRP A O 1 ATOM 5859 C CB . TRP B 2 95 ? 11.048 -27.327 24.301 1.00 45.33 ? 773 TRP A CB 1 ATOM 5860 C CG . TRP B 2 95 ? 11.615 -28.528 23.622 1.00 47.90 ? 773 TRP A CG 1 ATOM 5861 C CD1 . TRP B 2 95 ? 11.049 -29.768 23.538 1.00 49.95 ? 773 TRP A CD1 1 ATOM 5862 C CD2 . TRP B 2 95 ? 12.867 -28.611 22.936 1.00 47.48 ? 773 TRP A CD2 1 ATOM 5863 N NE1 . TRP B 2 95 ? 11.870 -30.616 22.834 1.00 52.11 ? 773 TRP A NE1 1 ATOM 5864 C CE2 . TRP B 2 95 ? 12.994 -29.930 22.456 1.00 48.89 ? 773 TRP A CE2 1 ATOM 5865 C CE3 . TRP B 2 95 ? 13.892 -27.698 22.680 1.00 47.60 ? 773 TRP A CE3 1 ATOM 5866 C CZ2 . TRP B 2 95 ? 14.103 -30.354 21.732 1.00 45.20 ? 773 TRP A CZ2 1 ATOM 5867 C CZ3 . TRP B 2 95 ? 14.991 -28.123 21.963 1.00 48.60 ? 773 TRP A CZ3 1 ATOM 5868 C CH2 . TRP B 2 95 ? 15.089 -29.439 21.497 1.00 45.80 ? 773 TRP A CH2 1 ATOM 5869 N N . LEU B 2 96 ? 11.379 -25.138 22.406 1.00 50.70 ? 774 LEU A N 1 ATOM 5870 C CA . LEU B 2 96 ? 11.911 -24.323 21.316 1.00 51.56 ? 774 LEU A CA 1 ATOM 5871 C C . LEU B 2 96 ? 10.826 -23.461 20.671 1.00 52.50 ? 774 LEU A C 1 ATOM 5872 O O . LEU B 2 96 ? 10.973 -23.014 19.527 1.00 52.33 ? 774 LEU A O 1 ATOM 5873 C CB . LEU B 2 96 ? 12.606 -25.198 20.263 1.00 55.76 ? 774 LEU A CB 1 ATOM 5874 C CG . LEU B 2 96 ? 13.721 -24.583 19.413 1.00 54.45 ? 774 LEU A CG 1 ATOM 5875 C CD1 . LEU B 2 96 ? 14.852 -24.106 20.301 1.00 56.51 ? 774 LEU A CD1 1 ATOM 5876 C CD2 . LEU B 2 96 ? 14.228 -25.591 18.396 1.00 52.51 ? 774 LEU A CD2 1 ATOM 5877 N N . TRP B 2 97 ? 9.733 -23.222 21.395 1.00 47.91 ? 775 TRP A N 1 ATOM 5878 C CA . TRP B 2 97 ? 8.612 -22.425 20.904 1.00 46.09 ? 775 TRP A CA 1 ATOM 5879 C C . TRP B 2 97 ? 8.981 -20.951 21.027 1.00 48.22 ? 775 TRP A C 1 ATOM 5880 O O . TRP B 2 97 ? 8.566 -20.242 21.947 1.00 46.75 ? 775 TRP A O 1 ATOM 5881 C CB . TRP B 2 97 ? 7.344 -22.756 21.679 1.00 39.79 ? 775 TRP A CB 1 ATOM 5882 C CG . TRP B 2 97 ? 6.109 -22.132 21.119 1.00 45.61 ? 775 TRP A CG 1 ATOM 5883 C CD1 . TRP B 2 97 ? 5.567 -20.928 21.465 1.00 43.82 ? 775 TRP A CD1 1 ATOM 5884 C CD2 . TRP B 2 97 ? 5.250 -22.685 20.110 1.00 45.08 ? 775 TRP A CD2 1 ATOM 5885 N NE1 . TRP B 2 97 ? 4.425 -20.696 20.732 1.00 45.95 ? 775 TRP A NE1 1 ATOM 5886 C CE2 . TRP B 2 97 ? 4.210 -21.759 19.894 1.00 39.09 ? 775 TRP A CE2 1 ATOM 5887 C CE3 . TRP B 2 97 ? 5.262 -23.870 19.370 1.00 39.36 ? 775 TRP A CE3 1 ATOM 5888 C CZ2 . TRP B 2 97 ? 3.193 -21.982 18.969 1.00 42.74 ? 775 TRP A CZ2 1 ATOM 5889 C CZ3 . TRP B 2 97 ? 4.251 -24.089 18.451 1.00 43.27 ? 775 TRP A CZ3 1 ATOM 5890 C CH2 . TRP B 2 97 ? 3.231 -23.150 18.259 1.00 44.06 ? 775 TRP A CH2 1 ATOM 5891 N N . GLU B 2 98 ? 9.781 -20.483 20.071 1.00 49.98 ? 776 GLU A N 1 ATOM 5892 C CA . GLU B 2 98 ? 10.282 -19.118 20.098 1.00 54.56 ? 776 GLU A CA 1 ATOM 5893 C C . GLU B 2 98 ? 10.345 -18.560 18.685 1.00 55.34 ? 776 GLU A C 1 ATOM 5894 O O . GLU B 2 98 ? 10.257 -19.291 17.695 1.00 56.02 ? 776 GLU A O 1 ATOM 5895 C CB . GLU B 2 98 ? 11.662 -19.047 20.765 1.00 59.51 ? 776 GLU A CB 1 ATOM 5896 C CG . GLU B 2 98 ? 12.633 -20.118 20.295 1.00 63.10 ? 776 GLU A CG 1 ATOM 5897 C CD . GLU B 2 98 ? 13.757 -20.378 21.288 1.00 66.34 ? 776 GLU A CD 1 ATOM 5898 O OE1 . GLU B 2 98 ? 13.520 -20.268 22.509 1.00 65.18 ? 776 GLU A OE1 1 ATOM 5899 O OE2 . GLU B 2 98 ? 14.881 -20.696 20.845 1.00 67.67 ? 776 GLU A OE2 1 ATOM 5900 N N . VAL B 2 99 ? 10.494 -17.242 18.607 1.00 54.92 ? 777 VAL A N 1 ATOM 5901 C CA . VAL B 2 99 ? 10.630 -16.527 17.345 1.00 53.02 ? 777 VAL A CA 1 ATOM 5902 C C . VAL B 2 99 ? 11.983 -15.835 17.337 1.00 52.66 ? 777 VAL A C 1 ATOM 5903 O O . VAL B 2 99 ? 12.388 -15.238 18.339 1.00 56.84 ? 777 VAL A O 1 ATOM 5904 C CB . VAL B 2 99 ? 9.493 -15.506 17.140 1.00 48.48 ? 777 VAL A CB 1 ATOM 5905 C CG1 . VAL B 2 99 ? 9.684 -14.763 15.833 1.00 46.56 ? 777 VAL A CG1 1 ATOM 5906 C CG2 . VAL B 2 99 ? 8.130 -16.199 17.189 1.00 46.70 ? 777 VAL A CG2 1 ATOM 5907 N N . HIS B 2 100 ? 12.685 -15.918 16.212 1.00 49.59 ? 778 HIS A N 1 ATOM 5908 C CA . HIS B 2 100 ? 14.021 -15.361 16.095 1.00 51.95 ? 778 HIS A CA 1 ATOM 5909 C C . HIS B 2 100 ? 14.127 -14.513 14.841 1.00 54.87 ? 778 HIS A C 1 ATOM 5910 O O . HIS B 2 100 ? 13.566 -14.859 13.798 1.00 58.22 ? 778 HIS A O 1 ATOM 5911 C CB . HIS B 2 100 ? 15.080 -16.462 16.049 1.00 54.00 ? 778 HIS A CB 1 ATOM 5912 C CG . HIS B 2 100 ? 15.265 -17.174 17.348 1.00 56.97 ? 778 HIS A CG 1 ATOM 5913 N ND1 . HIS B 2 100 ? 16.258 -16.839 18.243 1.00 58.12 ? 778 HIS A ND1 1 ATOM 5914 C CD2 . HIS B 2 100 ? 14.585 -18.204 17.906 1.00 57.14 ? 778 HIS A CD2 1 ATOM 5915 C CE1 . HIS B 2 100 ? 16.184 -17.634 19.295 1.00 59.44 ? 778 HIS A CE1 1 ATOM 5916 N NE2 . HIS B 2 100 ? 15.177 -18.471 19.116 1.00 57.54 ? 778 HIS A NE2 1 ATOM 5917 N N . LEU B 2 101 ? 14.850 -13.402 14.947 1.00 55.87 ? 779 LEU A N 1 ATOM 5918 C CA . LEU B 2 101 ? 15.231 -12.629 13.771 1.00 58.21 ? 779 LEU A CA 1 ATOM 5919 C C . LEU B 2 101 ? 16.497 -13.249 13.199 1.00 63.81 ? 779 LEU A C 1 ATOM 5920 O O . LEU B 2 101 ? 17.550 -13.238 13.845 1.00 74.12 ? 779 LEU A O 1 ATOM 5921 C CB . LEU B 2 101 ? 15.444 -11.161 14.126 1.00 57.73 ? 779 LEU A CB 1 ATOM 5922 C CG . LEU B 2 101 ? 15.898 -10.268 12.966 1.00 57.17 ? 779 LEU A CG 1 ATOM 5923 C CD1 . LEU B 2 101 ? 14.921 -10.373 11.807 1.00 52.73 ? 779 LEU A CD1 1 ATOM 5924 C CD2 . LEU B 2 101 ? 16.055 -8.819 13.414 1.00 57.04 ? 779 LEU A CD2 1 ATOM 5925 N N . VAL B 2 102 ? 16.396 -13.810 11.999 1.00 56.59 ? 780 VAL A N 1 ATOM 5926 C CA . VAL B 2 102 ? 17.502 -14.521 11.367 1.00 58.07 ? 780 VAL A CA 1 ATOM 5927 C C . VAL B 2 102 ? 18.060 -13.629 10.261 1.00 62.26 ? 780 VAL A C 1 ATOM 5928 O O . VAL B 2 102 ? 17.416 -13.491 9.204 1.00 60.02 ? 780 VAL A O 1 ATOM 5929 C CB . VAL B 2 102 ? 17.061 -15.882 10.816 1.00 57.18 ? 780 VAL A CB 1 ATOM 5930 C CG1 . VAL B 2 102 ? 18.211 -16.544 10.079 1.00 49.54 ? 780 VAL A CG1 1 ATOM 5931 C CG2 . VAL B 2 102 ? 16.573 -16.770 11.946 1.00 47.76 ? 780 VAL A CG2 1 ATOM 5932 N N . PRO B 2 103 ? 19.282 -12.963 10.470 1.00 65.37 ? 781 PRO A N 1 ATOM 5933 C CA . PRO B 2 103 ? 19.934 -12.194 9.390 1.00 64.71 ? 781 PRO A CA 1 ATOM 5934 C C . PRO B 2 103 ? 20.640 -13.126 8.412 1.00 67.16 ? 781 PRO A C 1 ATOM 5935 O O . PRO B 2 103 ? 21.870 -13.225 8.373 1.00 74.03 ? 781 PRO A O 1 ATOM 5936 C CB . PRO B 2 103 ? 20.907 -11.291 10.163 1.00 67.14 ? 781 PRO A CB 1 ATOM 5937 C CG . PRO B 2 103 ? 20.578 -11.474 11.647 1.00 66.07 ? 781 PRO A CG 1 ATOM 5938 C CD . PRO B 2 103 ? 20.003 -12.838 11.746 1.00 63.23 ? 781 PRO A CD 1 ATOM 5939 N N . ARG B 2 104 ? 19.835 -13.860 7.637 1.00 67.24 ? 782 ARG A N 1 ATOM 5940 C CA . ARG B 2 104 ? 20.303 -14.827 6.644 1.00 68.48 ? 782 ARG A CA 1 ATOM 5941 C C . ARG B 2 104 ? 20.995 -16.027 7.282 1.00 67.96 ? 782 ARG A C 1 ATOM 5942 O O . ARG B 2 104 ? 21.121 -17.081 6.651 1.00 68.37 ? 782 ARG A O 1 ATOM 5943 C CB . ARG B 2 104 ? 21.239 -14.161 5.633 1.00 72.24 ? 782 ARG A CB 1 ATOM 5944 C CG . ARG B 2 104 ? 20.604 -13.022 4.868 1.00 78.15 ? 782 ARG A CG 1 ATOM 5945 C CD . ARG B 2 104 ? 21.569 -12.434 3.860 1.00 84.62 ? 782 ARG A CD 1 ATOM 5946 N NE . ARG B 2 104 ? 21.970 -13.408 2.849 1.00 90.91 ? 782 ARG A NE 1 ATOM 5947 C CZ . ARG B 2 104 ? 23.127 -14.062 2.858 1.00 95.63 ? 782 ARG A CZ 1 ATOM 5948 N NH1 . ARG B 2 104 ? 24.004 -13.846 3.830 1.00 97.71 ? 782 ARG A NH1 1 ATOM 5949 N NH2 . ARG B 2 104 ? 23.408 -14.930 1.896 1.00 97.36 ? 782 ARG A NH2 1 ATOM 5950 N N . ARG B 2 105 ? 21.431 -15.885 8.532 1.00 67.77 ? 783 ARG A N 1 ATOM 5951 C CA . ARG B 2 105 ? 22.187 -16.931 9.208 1.00 70.97 ? 783 ARG A CA 1 ATOM 5952 C C . ARG B 2 105 ? 22.196 -16.699 10.719 1.00 73.67 ? 783 ARG A C 1 ATOM 5953 O O . ARG B 2 105 ? 22.562 -15.617 11.184 1.00 76.84 ? 783 ARG A O 1 ATOM 5954 C CB . ARG B 2 105 ? 23.615 -16.968 8.661 1.00 77.31 ? 783 ARG A CB 1 ATOM 5955 C CG . ARG B 2 105 ? 24.339 -18.281 8.847 1.00 87.82 ? 783 ARG A CG 1 ATOM 5956 C CD . ARG B 2 105 ? 25.732 -18.204 8.232 1.00 98.55 ? 783 ARG A CD 1 ATOM 5957 N NE . ARG B 2 105 ? 25.697 -17.694 6.861 1.00 105.06 ? 783 ARG A NE 1 ATOM 5958 C CZ . ARG B 2 105 ? 26.763 -17.276 6.183 1.00 109.04 ? 783 ARG A CZ 1 ATOM 5959 N NH1 . ARG B 2 105 ? 27.965 -17.297 6.745 1.00 113.03 ? 783 ARG A NH1 1 ATOM 5960 N NH2 . ARG B 2 105 ? 26.627 -16.828 4.941 1.00 109.02 ? 783 ARG A NH2 1 ATOM 5961 N N . LYS B 2 106 ? 21.797 -17.707 11.491 1.00 68.63 ? 784 LYS A N 1 ATOM 5962 C CA . LYS B 2 106 ? 21.828 -17.589 12.947 1.00 66.62 ? 784 LYS A CA 1 ATOM 5963 C C . LYS B 2 106 ? 21.855 -18.984 13.547 1.00 68.27 ? 784 LYS A C 1 ATOM 5964 O O . LYS B 2 106 ? 20.985 -19.808 13.246 1.00 70.32 ? 784 LYS A O 1 ATOM 5965 C CB . LYS B 2 106 ? 20.628 -16.801 13.473 1.00 64.14 ? 784 LYS A CB 1 ATOM 5966 C CG . LYS B 2 106 ? 20.595 -16.719 14.995 1.00 63.86 ? 784 LYS A CG 1 ATOM 5967 C CD . LYS B 2 106 ? 19.496 -15.809 15.507 1.00 62.59 ? 784 LYS A CD 1 ATOM 5968 C CE . LYS B 2 106 ? 19.515 -15.763 17.026 1.00 65.27 ? 784 LYS A CE 1 ATOM 5969 N NZ . LYS B 2 106 ? 18.446 -14.893 17.583 1.00 69.60 ? 784 LYS A NZ 1 ATOM 5970 N N . GLN B 2 107 ? 22.854 -19.251 14.377 1.00 68.04 ? 785 GLN A N 1 ATOM 5971 C CA . GLN B 2 107 ? 22.978 -20.518 15.075 1.00 70.30 ? 785 GLN A CA 1 ATOM 5972 C C . GLN B 2 107 ? 22.642 -20.298 16.541 1.00 71.56 ? 785 GLN A C 1 ATOM 5973 O O . GLN B 2 107 ? 22.989 -19.263 17.118 1.00 75.36 ? 785 GLN A O 1 ATOM 5974 C CB . GLN B 2 107 ? 24.390 -21.099 14.935 1.00 73.29 ? 785 GLN A CB 1 ATOM 5975 C CG . GLN B 2 107 ? 24.633 -22.356 15.774 1.00 75.32 ? 785 GLN A CG 1 ATOM 5976 C CD . GLN B 2 107 ? 26.100 -22.755 15.855 1.00 76.49 ? 785 GLN A CD 1 ATOM 5977 O OE1 . GLN B 2 107 ? 26.644 -22.937 16.944 1.00 77.19 ? 785 GLN A OE1 1 ATOM 5978 N NE2 . GLN B 2 107 ? 26.740 -22.908 14.701 1.00 76.93 ? 785 GLN A NE2 1 ATOM 5979 N N . LEU B 2 108 ? 21.946 -21.260 17.133 1.00 67.29 ? 786 LEU A N 1 ATOM 5980 C CA . LEU B 2 108 ? 21.620 -21.187 18.547 1.00 72.19 ? 786 LEU A CA 1 ATOM 5981 C C . LEU B 2 108 ? 21.793 -22.573 19.144 1.00 75.28 ? 786 LEU A C 1 ATOM 5982 O O . LEU B 2 108 ? 21.311 -23.557 18.579 1.00 76.76 ? 786 LEU A O 1 ATOM 5983 C CB . LEU B 2 108 ? 20.197 -20.651 18.770 1.00 71.31 ? 786 LEU A CB 1 ATOM 5984 C CG . LEU B 2 108 ? 18.962 -21.507 18.490 1.00 72.90 ? 786 LEU A CG 1 ATOM 5985 C CD1 . LEU B 2 108 ? 17.718 -20.769 18.938 1.00 75.70 ? 786 LEU A CD1 1 ATOM 5986 C CD2 . LEU B 2 108 ? 18.851 -21.864 17.025 1.00 75.76 ? 786 LEU A CD2 1 ATOM 5987 N N . GLN B 2 109 ? 22.502 -22.653 20.264 1.00 76.32 ? 787 GLN A N 1 ATOM 5988 C CA . GLN B 2 109 ? 22.799 -23.925 20.903 1.00 79.09 ? 787 GLN A CA 1 ATOM 5989 C C . GLN B 2 109 ? 22.009 -24.070 22.197 1.00 74.94 ? 787 GLN A C 1 ATOM 5990 O O . GLN B 2 109 ? 21.723 -23.085 22.884 1.00 74.16 ? 787 GLN A O 1 ATOM 5991 C CB . GLN B 2 109 ? 24.297 -24.061 21.186 1.00 85.43 ? 787 GLN A CB 1 ATOM 5992 C CG . GLN B 2 109 ? 24.854 -23.005 22.115 1.00 93.46 ? 787 GLN A CG 1 ATOM 5993 C CD . GLN B 2 109 ? 26.308 -23.251 22.456 1.00 103.18 ? 787 GLN A CD 1 ATOM 5994 O OE1 . GLN B 2 109 ? 27.007 -23.980 21.752 1.00 106.40 ? 787 GLN A OE1 1 ATOM 5995 N NE2 . GLN B 2 109 ? 26.771 -22.649 23.544 1.00 105.82 ? 787 GLN A NE2 1 ATOM 5996 N N . PHE B 2 110 ? 21.659 -25.313 22.521 1.00 72.85 ? 788 PHE A N 1 ATOM 5997 C CA . PHE B 2 110 ? 20.865 -25.620 23.707 1.00 68.79 ? 788 PHE A CA 1 ATOM 5998 C C . PHE B 2 110 ? 21.169 -27.051 24.139 1.00 70.42 ? 788 PHE A C 1 ATOM 5999 O O . PHE B 2 110 ? 22.132 -27.668 23.676 1.00 74.30 ? 788 PHE A O 1 ATOM 6000 C CB . PHE B 2 110 ? 19.370 -25.419 23.431 1.00 67.44 ? 788 PHE A CB 1 ATOM 6001 C CG . PHE B 2 110 ? 18.901 -26.065 22.161 1.00 68.52 ? 788 PHE A CG 1 ATOM 6002 C CD1 . PHE B 2 110 ? 18.632 -27.424 22.114 1.00 67.50 ? 788 PHE A CD1 1 ATOM 6003 C CD2 . PHE B 2 110 ? 18.733 -25.312 21.011 1.00 68.15 ? 788 PHE A CD2 1 ATOM 6004 C CE1 . PHE B 2 110 ? 18.207 -28.017 20.943 1.00 68.39 ? 788 PHE A CE1 1 ATOM 6005 C CE2 . PHE B 2 110 ? 18.307 -25.900 19.837 1.00 68.87 ? 788 PHE A CE2 1 ATOM 6006 C CZ . PHE B 2 110 ? 18.043 -27.253 19.803 1.00 69.42 ? 788 PHE A CZ 1 ATOM 6007 N N . ALA B 2 111 ? 20.335 -27.584 25.027 1.00 67.36 ? 789 ALA A N 1 ATOM 6008 C CA . ALA B 2 111 ? 20.484 -28.947 25.515 1.00 68.70 ? 789 ALA A CA 1 ATOM 6009 C C . ALA B 2 111 ? 19.175 -29.687 25.297 1.00 70.64 ? 789 ALA A C 1 ATOM 6010 O O . ALA B 2 111 ? 18.103 -29.165 25.623 1.00 72.45 ? 789 ALA A O 1 ATOM 6011 C CB . ALA B 2 111 ? 20.876 -28.971 26.997 1.00 69.13 ? 789 ALA A CB 1 ATOM 6012 N N . LEU B 2 112 ? 19.261 -30.887 24.735 1.00 70.13 ? 790 LEU A N 1 ATOM 6013 C CA . LEU B 2 112 ? 18.061 -31.671 24.498 1.00 66.52 ? 790 LEU A CA 1 ATOM 6014 C C . LEU B 2 112 ? 17.447 -32.090 25.831 1.00 74.51 ? 790 LEU A C 1 ATOM 6015 O O . LEU B 2 112 ? 18.174 -32.364 26.792 1.00 78.80 ? 790 LEU A O 1 ATOM 6016 C CB . LEU B 2 112 ? 18.385 -32.899 23.651 1.00 58.84 ? 790 LEU A CB 1 ATOM 6017 C CG . LEU B 2 112 ? 18.900 -32.581 22.245 1.00 55.16 ? 790 LEU A CG 1 ATOM 6018 C CD1 . LEU B 2 112 ? 19.622 -33.768 21.638 1.00 57.20 ? 790 LEU A CD1 1 ATOM 6019 C CD2 . LEU B 2 112 ? 17.748 -32.156 21.356 1.00 49.51 ? 790 LEU A CD2 1 ATOM 6020 N N . PRO B 2 113 ? 16.121 -32.136 25.928 1.00 73.83 ? 791 PRO A N 1 ATOM 6021 C CA . PRO B 2 113 ? 15.490 -32.497 27.201 1.00 74.96 ? 791 PRO A CA 1 ATOM 6022 C C . PRO B 2 113 ? 15.773 -33.944 27.576 1.00 81.56 ? 791 PRO A C 1 ATOM 6023 O O . PRO B 2 113 ? 16.152 -34.775 26.748 1.00 82.97 ? 791 PRO A O 1 ATOM 6024 C CB . PRO B 2 113 ? 13.997 -32.269 26.940 1.00 68.48 ? 791 PRO A CB 1 ATOM 6025 C CG . PRO B 2 113 ? 13.852 -32.361 25.462 1.00 66.83 ? 791 PRO A CG 1 ATOM 6026 C CD . PRO B 2 113 ? 15.130 -31.830 24.883 1.00 69.73 ? 791 PRO A CD 1 ATOM 6027 N N . ASP B 2 114 ? 15.593 -34.232 28.862 1.00 86.14 ? 792 ASP A N 1 ATOM 6028 C CA . ASP B 2 114 ? 15.809 -35.576 29.392 1.00 90.17 ? 792 ASP A CA 1 ATOM 6029 C C . ASP B 2 114 ? 14.556 -36.394 29.130 1.00 92.89 ? 792 ASP A C 1 ATOM 6030 O O . ASP B 2 114 ? 13.584 -36.325 29.886 1.00 104.02 ? 792 ASP A O 1 ATOM 6031 C CB . ASP B 2 114 ? 16.137 -35.524 30.877 1.00 92.17 ? 792 ASP A CB 1 ATOM 6032 C CG . ASP B 2 114 ? 17.358 -34.693 31.167 1.00 96.51 ? 792 ASP A CG 1 ATOM 6033 O OD1 . ASP B 2 114 ? 18.229 -34.597 30.277 1.00 98.78 ? 792 ASP A OD1 1 ATOM 6034 O OD2 . ASP B 2 114 ? 17.448 -34.133 32.279 1.00 100.08 ? 792 ASP A OD2 1 ATOM 6035 N N . SER B 2 115 ? 14.577 -37.172 28.055 1.00 86.62 ? 793 SER A N 1 ATOM 6036 C CA . SER B 2 115 ? 13.433 -37.985 27.674 1.00 82.60 ? 793 SER A CA 1 ATOM 6037 C C . SER B 2 115 ? 13.871 -38.924 26.565 1.00 84.01 ? 793 SER A C 1 ATOM 6038 O O . SER B 2 115 ? 14.852 -38.664 25.864 1.00 91.86 ? 793 SER A O 1 ATOM 6039 C CB . SER B 2 115 ? 12.254 -37.124 27.212 1.00 79.63 ? 793 SER A CB 1 ATOM 6040 O OG . SER B 2 115 ? 11.246 -37.926 26.633 1.00 82.39 ? 793 SER A OG 1 ATOM 6041 N N . LEU B 2 116 ? 13.144 -40.028 26.424 1.00 76.81 ? 794 LEU A N 1 ATOM 6042 C CA . LEU B 2 116 ? 13.321 -40.931 25.289 1.00 73.54 ? 794 LEU A CA 1 ATOM 6043 C C . LEU B 2 116 ? 12.216 -40.584 24.299 1.00 69.50 ? 794 LEU A C 1 ATOM 6044 O O . LEU B 2 116 ? 11.091 -41.074 24.395 1.00 69.79 ? 794 LEU A O 1 ATOM 6045 C CB . LEU B 2 116 ? 13.283 -42.394 25.718 1.00 73.95 ? 794 LEU A CB 1 ATOM 6046 C CG . LEU B 2 116 ? 14.612 -42.984 26.210 1.00 74.40 ? 794 LEU A CG 1 ATOM 6047 C CD1 . LEU B 2 116 ? 14.903 -42.572 27.648 1.00 69.42 ? 794 LEU A CD1 1 ATOM 6048 C CD2 . LEU B 2 116 ? 14.646 -44.503 26.052 1.00 77.01 ? 794 LEU A CD2 1 ATOM 6049 N N . THR B 2 117 ? 12.543 -39.718 23.343 1.00 65.26 ? 795 THR A N 1 ATOM 6050 C CA . THR B 2 117 ? 11.523 -39.128 22.492 1.00 62.80 ? 795 THR A CA 1 ATOM 6051 C C . THR B 2 117 ? 12.108 -38.840 21.116 1.00 62.61 ? 795 THR A C 1 ATOM 6052 O O . THR B 2 117 ? 13.268 -38.441 20.998 1.00 64.33 ? 795 THR A O 1 ATOM 6053 C CB . THR B 2 117 ? 10.975 -37.842 23.128 1.00 62.95 ? 795 THR A CB 1 ATOM 6054 O OG1 . THR B 2 117 ? 10.371 -38.152 24.391 1.00 60.94 ? 795 THR A OG1 1 ATOM 6055 C CG2 . THR B 2 117 ? 9.939 -37.185 22.237 1.00 63.51 ? 795 THR A CG2 1 ATOM 6056 N N . THR B 2 118 ? 11.308 -39.063 20.076 1.00 60.25 ? 796 THR A N 1 ATOM 6057 C CA . THR B 2 118 ? 11.678 -38.642 18.727 1.00 60.77 ? 796 THR A CA 1 ATOM 6058 C C . THR B 2 118 ? 11.138 -37.228 18.530 1.00 56.81 ? 796 THR A C 1 ATOM 6059 O O . THR B 2 118 ? 9.965 -37.035 18.200 1.00 53.91 ? 796 THR A O 1 ATOM 6060 C CB . THR B 2 118 ? 11.145 -39.614 17.681 1.00 65.16 ? 796 THR A CB 1 ATOM 6061 O OG1 . THR B 2 118 ? 11.706 -40.913 17.909 1.00 69.49 ? 796 THR A OG1 1 ATOM 6062 C CG2 . THR B 2 118 ? 11.530 -39.154 16.282 1.00 64.97 ? 796 THR A CG2 1 ATOM 6063 N N . TRP B 2 119 ? 11.998 -36.237 18.760 1.00 55.69 ? 797 TRP A N 1 ATOM 6064 C CA . TRP B 2 119 ? 11.614 -34.838 18.634 1.00 56.00 ? 797 TRP A CA 1 ATOM 6065 C C . TRP B 2 119 ? 11.588 -34.414 17.175 1.00 58.96 ? 797 TRP A C 1 ATOM 6066 O O . TRP B 2 119 ? 12.409 -34.850 16.365 1.00 65.97 ? 797 TRP A O 1 ATOM 6067 C CB . TRP B 2 119 ? 12.577 -33.937 19.408 1.00 53.82 ? 797 TRP A CB 1 ATOM 6068 C CG . TRP B 2 119 ? 12.493 -34.113 20.877 1.00 54.94 ? 797 TRP A CG 1 ATOM 6069 C CD1 . TRP B 2 119 ? 13.427 -34.682 21.688 1.00 59.45 ? 797 TRP A CD1 1 ATOM 6070 C CD2 . TRP B 2 119 ? 11.403 -33.733 21.722 1.00 55.67 ? 797 TRP A CD2 1 ATOM 6071 N NE1 . TRP B 2 119 ? 12.991 -34.674 22.988 1.00 62.61 ? 797 TRP A NE1 1 ATOM 6072 C CE2 . TRP B 2 119 ? 11.749 -34.096 23.036 1.00 57.35 ? 797 TRP A CE2 1 ATOM 6073 C CE3 . TRP B 2 119 ? 10.169 -33.116 21.495 1.00 56.56 ? 797 TRP A CE3 1 ATOM 6074 C CZ2 . TRP B 2 119 ? 10.907 -33.865 24.121 1.00 56.45 ? 797 TRP A CZ2 1 ATOM 6075 C CZ3 . TRP B 2 119 ? 9.335 -32.887 22.573 1.00 57.30 ? 797 TRP A CZ3 1 ATOM 6076 C CH2 . TRP B 2 119 ? 9.707 -33.262 23.869 1.00 56.21 ? 797 TRP A CH2 1 ATOM 6077 N N . GLU B 2 120 ? 10.646 -33.542 16.852 1.00 53.91 ? 798 GLU A N 1 ATOM 6078 C CA . GLU B 2 120 ? 10.433 -33.053 15.497 1.00 55.98 ? 798 GLU A CA 1 ATOM 6079 C C . GLU B 2 120 ? 10.530 -31.535 15.547 1.00 55.88 ? 798 GLU A C 1 ATOM 6080 O O . GLU B 2 120 ? 9.694 -30.875 16.174 1.00 57.39 ? 798 GLU A O 1 ATOM 6081 C CB . GLU B 2 120 ? 9.079 -33.522 14.962 1.00 56.96 ? 798 GLU A CB 1 ATOM 6082 C CG . GLU B 2 120 ? 8.676 -32.936 13.629 1.00 62.46 ? 798 GLU A CG 1 ATOM 6083 C CD . GLU B 2 120 ? 7.518 -33.686 12.989 1.00 70.17 ? 798 GLU A CD 1 ATOM 6084 O OE1 . GLU B 2 120 ? 7.490 -34.932 13.072 1.00 74.59 ? 798 GLU A OE1 1 ATOM 6085 O OE2 . GLU B 2 120 ? 6.633 -33.029 12.403 1.00 70.53 ? 798 GLU A OE2 1 ATOM 6086 N N . ILE B 2 121 ? 11.563 -30.990 14.914 1.00 53.47 ? 799 ILE A N 1 ATOM 6087 C CA . ILE B 2 121 ? 11.819 -29.556 14.907 1.00 52.90 ? 799 ILE A CA 1 ATOM 6088 C C . ILE B 2 121 ? 11.296 -28.971 13.602 1.00 55.12 ? 799 ILE A C 1 ATOM 6089 O O . ILE B 2 121 ? 11.671 -29.425 12.510 1.00 59.11 ? 799 ILE A O 1 ATOM 6090 C CB . ILE B 2 121 ? 13.315 -29.261 15.089 1.00 46.19 ? 799 ILE A CB 1 ATOM 6091 C CG1 . ILE B 2 121 ? 13.787 -29.789 16.445 1.00 46.21 ? 799 ILE A CG1 1 ATOM 6092 C CG2 . ILE B 2 121 ? 13.581 -27.776 14.947 1.00 45.90 ? 799 ILE A CG2 1 ATOM 6093 C CD1 . ILE B 2 121 ? 15.190 -29.379 16.805 1.00 47.14 ? 799 ILE A CD1 1 ATOM 6094 N N . GLN B 2 122 ? 10.434 -27.959 13.722 1.00 50.71 ? 800 GLN A N 1 ATOM 6095 C CA . GLN B 2 122 ? 9.725 -27.348 12.606 1.00 50.82 ? 800 GLN A CA 1 ATOM 6096 C C . GLN B 2 122 ? 9.976 -25.848 12.614 1.00 49.53 ? 800 GLN A C 1 ATOM 6097 O O . GLN B 2 122 ? 9.801 -25.193 13.647 1.00 52.90 ? 800 GLN A O 1 ATOM 6098 C CB . GLN B 2 122 ? 8.219 -27.629 12.697 1.00 53.27 ? 800 GLN A CB 1 ATOM 6099 C CG . GLN B 2 122 ? 7.880 -29.078 13.044 1.00 59.10 ? 800 GLN A CG 1 ATOM 6100 C CD . GLN B 2 122 ? 6.622 -29.217 13.892 1.00 57.91 ? 800 GLN A CD 1 ATOM 6101 O OE1 . GLN B 2 122 ? 6.097 -28.235 14.419 1.00 60.73 ? 800 GLN A OE1 1 ATOM 6102 N NE2 . GLN B 2 122 ? 6.138 -30.447 14.031 1.00 54.77 ? 800 GLN A NE2 1 ATOM 6103 N N . GLY B 2 123 ? 10.377 -25.309 11.473 1.00 48.67 ? 801 GLY A N 1 ATOM 6104 C CA . GLY B 2 123 ? 10.627 -23.882 11.332 1.00 48.88 ? 801 GLY A CA 1 ATOM 6105 C C . GLY B 2 123 ? 9.693 -23.278 10.303 1.00 51.35 ? 801 GLY A C 1 ATOM 6106 O O . GLY B 2 123 ? 9.400 -23.904 9.284 1.00 57.60 ? 801 GLY A O 1 ATOM 6107 N N . VAL B 2 124 ? 9.219 -22.067 10.584 1.00 51.00 ? 802 VAL A N 1 ATOM 6108 C CA . VAL B 2 124 ? 8.325 -21.331 9.693 1.00 52.32 ? 802 VAL A CA 1 ATOM 6109 C C . VAL B 2 124 ? 8.866 -19.913 9.564 1.00 56.50 ? 802 VAL A C 1 ATOM 6110 O O . VAL B 2 124 ? 8.827 -19.140 10.528 1.00 58.20 ? 802 VAL A O 1 ATOM 6111 C CB . VAL B 2 124 ? 6.877 -21.315 10.201 1.00 52.83 ? 802 VAL A CB 1 ATOM 6112 C CG1 . VAL B 2 124 ? 6.015 -20.424 9.316 1.00 48.85 ? 802 VAL A CG1 1 ATOM 6113 C CG2 . VAL B 2 124 ? 6.316 -22.725 10.254 1.00 53.75 ? 802 VAL A CG2 1 ATOM 6114 N N . GLY B 2 125 ? 9.357 -19.567 8.378 1.00 55.75 ? 803 GLY A N 1 ATOM 6115 C CA . GLY B 2 125 ? 9.919 -18.252 8.141 1.00 51.55 ? 803 GLY A CA 1 ATOM 6116 C C . GLY B 2 125 ? 8.883 -17.288 7.586 1.00 51.59 ? 803 GLY A C 1 ATOM 6117 O O . GLY B 2 125 ? 8.074 -17.643 6.733 1.00 46.17 ? 803 GLY A O 1 ATOM 6118 N N . ILE B 2 126 ? 8.924 -16.059 8.091 1.00 51.09 ? 804 ILE A N 1 ATOM 6119 C CA . ILE B 2 126 ? 8.044 -14.983 7.659 1.00 50.96 ? 804 ILE A CA 1 ATOM 6120 C C . ILE B 2 126 ? 8.914 -13.805 7.259 1.00 59.41 ? 804 ILE A C 1 ATOM 6121 O O . ILE B 2 126 ? 9.769 -13.369 8.039 1.00 62.69 ? 804 ILE A O 1 ATOM 6122 C CB . ILE B 2 126 ? 7.055 -14.572 8.766 1.00 49.45 ? 804 ILE A CB 1 ATOM 6123 C CG1 . ILE B 2 126 ? 6.082 -15.714 9.054 1.00 50.71 ? 804 ILE A CG1 1 ATOM 6124 C CG2 . ILE B 2 126 ? 6.302 -13.306 8.373 1.00 47.74 ? 804 ILE A CG2 1 ATOM 6125 C CD1 . ILE B 2 126 ? 5.114 -15.972 7.930 1.00 53.14 ? 804 ILE A CD1 1 ATOM 6126 N N . SER B 2 127 ? 8.704 -13.300 6.045 1.00 62.55 ? 805 SER A N 1 ATOM 6127 C CA . SER B 2 127 ? 9.442 -12.148 5.550 1.00 64.15 ? 805 SER A CA 1 ATOM 6128 C C . SER B 2 127 ? 8.568 -11.417 4.545 1.00 68.08 ? 805 SER A C 1 ATOM 6129 O O . SER B 2 127 ? 7.446 -11.836 4.249 1.00 69.36 ? 805 SER A O 1 ATOM 6130 C CB . SER B 2 127 ? 10.769 -12.569 4.920 1.00 65.39 ? 805 SER A CB 1 ATOM 6131 O OG . SER B 2 127 ? 10.542 -13.482 3.863 1.00 66.70 ? 805 SER A OG 1 ATOM 6132 N N . ASN B 2 128 ? 9.098 -10.321 4.001 1.00 72.53 ? 806 ASN A N 1 ATOM 6133 C CA . ASN B 2 128 ? 8.346 -9.579 2.998 1.00 77.95 ? 806 ASN A CA 1 ATOM 6134 C C . ASN B 2 128 ? 8.117 -10.385 1.729 1.00 72.22 ? 806 ASN A C 1 ATOM 6135 O O . ASN B 2 128 ? 7.311 -9.971 0.889 1.00 72.14 ? 806 ASN A O 1 ATOM 6136 C CB . ASN B 2 128 ? 9.055 -8.265 2.667 1.00 89.78 ? 806 ASN A CB 1 ATOM 6137 C CG . ASN B 2 128 ? 8.723 -7.162 3.657 1.00 97.69 ? 806 ASN A CG 1 ATOM 6138 O OD1 . ASN B 2 128 ? 9.332 -7.063 4.722 1.00 100.24 ? 806 ASN A OD1 1 ATOM 6139 N ND2 . ASN B 2 128 ? 7.749 -6.328 3.308 1.00 99.55 ? 806 ASN A ND2 1 ATOM 6140 N N . THR B 2 129 ? 8.789 -11.522 1.575 1.00 70.16 ? 807 THR A N 1 ATOM 6141 C CA . THR B 2 129 ? 8.569 -12.410 0.445 1.00 68.79 ? 807 THR A CA 1 ATOM 6142 C C . THR B 2 129 ? 7.565 -13.514 0.749 1.00 64.43 ? 807 THR A C 1 ATOM 6143 O O . THR B 2 129 ? 7.315 -14.360 -0.115 1.00 65.09 ? 807 THR A O 1 ATOM 6144 C CB . THR B 2 129 ? 9.896 -13.028 -0.007 1.00 74.27 ? 807 THR A CB 1 ATOM 6145 O OG1 . THR B 2 129 ? 10.981 -12.396 0.687 1.00 78.13 ? 807 THR A OG1 1 ATOM 6146 C CG2 . THR B 2 129 ? 10.084 -12.827 -1.499 1.00 75.41 ? 807 THR A CG2 1 ATOM 6147 N N . GLY B 2 130 ? 6.992 -13.536 1.953 1.00 62.96 ? 808 GLY A N 1 ATOM 6148 C CA . GLY B 2 130 ? 5.929 -14.460 2.288 1.00 60.04 ? 808 GLY A CA 1 ATOM 6149 C C . GLY B 2 130 ? 6.318 -15.395 3.425 1.00 59.96 ? 808 GLY A C 1 ATOM 6150 O O . GLY B 2 130 ? 7.078 -15.027 4.330 1.00 60.95 ? 808 GLY A O 1 ATOM 6151 N N . ILE B 2 131 ? 5.774 -16.609 3.364 1.00 59.05 ? 809 ILE A N 1 ATOM 6152 C CA . ILE B 2 131 ? 5.950 -17.629 4.390 1.00 60.60 ? 809 ILE A CA 1 ATOM 6153 C C . ILE B 2 131 ? 6.679 -18.814 3.772 1.00 59.73 ? 809 ILE A C 1 ATOM 6154 O O . ILE B 2 131 ? 6.447 -19.158 2.609 1.00 48.85 ? 809 ILE A O 1 ATOM 6155 C CB . ILE B 2 131 ? 4.591 -18.059 4.990 1.00 58.88 ? 809 ILE A CB 1 ATOM 6156 C CG1 . ILE B 2 131 ? 4.772 -19.130 6.066 1.00 62.59 ? 809 ILE A CG1 1 ATOM 6157 C CG2 . ILE B 2 131 ? 3.661 -18.578 3.916 1.00 47.58 ? 809 ILE A CG2 1 ATOM 6158 C CD1 . ILE B 2 131 ? 3.468 -19.564 6.711 1.00 63.38 ? 809 ILE A CD1 1 ATOM 6159 N N . CYS B 2 132 ? 7.573 -19.423 4.545 1.00 59.43 ? 810 CYS A N 1 ATOM 6160 C CA . CYS B 2 132 ? 8.341 -20.578 4.091 1.00 62.25 ? 810 CYS A CA 1 ATOM 6161 C C . CYS B 2 132 ? 8.371 -21.610 5.208 1.00 59.72 ? 810 CYS A C 1 ATOM 6162 O O . CYS B 2 132 ? 9.019 -21.398 6.234 1.00 61.96 ? 810 CYS A O 1 ATOM 6163 C CB . CYS B 2 132 ? 9.760 -20.180 3.697 1.00 71.81 ? 810 CYS A CB 1 ATOM 6164 S SG . CYS B 2 132 ? 10.616 -21.471 2.787 1.00 79.61 ? 810 CYS A SG 1 ATOM 6165 N N . VAL B 2 133 ? 7.690 -22.732 5.005 1.00 56.05 ? 811 VAL A N 1 ATOM 6166 C CA . VAL B 2 133 ? 7.744 -23.836 5.956 1.00 53.67 ? 811 VAL A CA 1 ATOM 6167 C C . VAL B 2 133 ? 8.978 -24.674 5.636 1.00 55.45 ? 811 VAL A C 1 ATOM 6168 O O . VAL B 2 133 ? 9.014 -25.381 4.626 1.00 57.79 ? 811 VAL A O 1 ATOM 6169 C CB . VAL B 2 133 ? 6.470 -24.681 5.904 1.00 51.49 ? 811 VAL A CB 1 ATOM 6170 C CG1 . VAL B 2 133 ? 6.574 -25.857 6.867 1.00 46.58 ? 811 VAL A CG1 1 ATOM 6171 C CG2 . VAL B 2 133 ? 5.263 -23.815 6.212 1.00 46.30 ? 811 VAL A CG2 1 ATOM 6172 N N . ALA B 2 134 ? 9.988 -24.600 6.499 1.00 54.71 ? 812 ALA A N 1 ATOM 6173 C CA . ALA B 2 134 ? 11.214 -25.353 6.284 1.00 56.59 ? 812 ALA A CA 1 ATOM 6174 C C . ALA B 2 134 ? 10.958 -26.852 6.409 1.00 56.18 ? 812 ALA A C 1 ATOM 6175 O O . ALA B 2 134 ? 9.931 -27.295 6.929 1.00 53.46 ? 812 ALA A O 1 ATOM 6176 C CB . ALA B 2 134 ? 12.290 -24.923 7.281 1.00 53.16 ? 812 ALA A CB 1 ATOM 6177 N N . ASP B 2 135 ? 11.910 -27.637 5.909 1.00 60.35 ? 813 ASP A N 1 ATOM 6178 C CA . ASP B 2 135 ? 11.834 -29.081 6.074 1.00 62.79 ? 813 ASP A CA 1 ATOM 6179 C C . ASP B 2 135 ? 11.967 -29.438 7.545 1.00 63.44 ? 813 ASP A C 1 ATOM 6180 O O . ASP B 2 135 ? 12.890 -28.984 8.227 1.00 65.23 ? 813 ASP A O 1 ATOM 6181 C CB . ASP B 2 135 ? 12.927 -29.774 5.265 1.00 65.53 ? 813 ASP A CB 1 ATOM 6182 C CG . ASP B 2 135 ? 12.642 -29.773 3.783 1.00 72.96 ? 813 ASP A CG 1 ATOM 6183 O OD1 . ASP B 2 135 ? 11.453 -29.756 3.406 1.00 75.79 ? 813 ASP A OD1 1 ATOM 6184 O OD2 . ASP B 2 135 ? 13.609 -29.791 2.994 1.00 79.62 ? 813 ASP A OD2 1 ATOM 6185 N N . THR B 2 136 ? 11.034 -30.244 8.035 1.00 67.28 ? 814 THR A N 1 ATOM 6186 C CA . THR B 2 136 ? 11.077 -30.674 9.423 1.00 69.37 ? 814 THR A CA 1 ATOM 6187 C C . THR B 2 136 ? 12.273 -31.592 9.646 1.00 66.85 ? 814 THR A C 1 ATOM 6188 O O . THR B 2 136 ? 12.466 -32.566 8.912 1.00 70.90 ? 814 THR A O 1 ATOM 6189 C CB . THR B 2 136 ? 9.779 -31.386 9.794 1.00 77.42 ? 814 THR A CB 1 ATOM 6190 O OG1 . THR B 2 136 ? 10.015 -32.261 10.902 1.00 84.18 ? 814 THR A OG1 1 ATOM 6191 C CG2 . THR B 2 136 ? 9.252 -32.191 8.611 1.00 81.80 ? 814 THR A CG2 1 ATOM 6192 N N . VAL B 2 137 ? 13.083 -31.281 10.653 1.00 63.40 ? 815 VAL A N 1 ATOM 6193 C CA . VAL B 2 137 ? 14.277 -32.061 10.956 1.00 64.74 ? 815 VAL A CA 1 ATOM 6194 C C . VAL B 2 137 ? 14.020 -32.870 12.221 1.00 65.20 ? 815 VAL A C 1 ATOM 6195 O O . VAL B 2 137 ? 13.435 -32.365 13.187 1.00 65.31 ? 815 VAL A O 1 ATOM 6196 C CB . VAL B 2 137 ? 15.522 -31.160 11.096 1.00 65.27 ? 815 VAL A CB 1 ATOM 6197 C CG1 . VAL B 2 137 ? 15.339 -30.145 12.207 1.00 63.44 ? 815 VAL A CG1 1 ATOM 6198 C CG2 . VAL B 2 137 ? 16.765 -31.999 11.333 1.00 69.59 ? 815 VAL A CG2 1 ATOM 6199 N N . LYS B 2 138 ? 14.436 -34.135 12.204 1.00 64.82 ? 816 LYS A N 1 ATOM 6200 C CA . LYS B 2 138 ? 14.198 -35.062 13.301 1.00 62.22 ? 816 LYS A CA 1 ATOM 6201 C C . LYS B 2 138 ? 15.396 -35.124 14.240 1.00 62.18 ? 816 LYS A C 1 ATOM 6202 O O . LYS B 2 138 ? 16.547 -34.959 13.827 1.00 64.13 ? 816 LYS A O 1 ATOM 6203 C CB . LYS B 2 138 ? 13.891 -36.467 12.779 1.00 67.34 ? 816 LYS A CB 1 ATOM 6204 C CG . LYS B 2 138 ? 12.408 -36.781 12.655 1.00 74.25 ? 816 LYS A CG 1 ATOM 6205 C CD . LYS B 2 138 ? 11.710 -35.817 11.710 1.00 81.99 ? 816 LYS A CD 1 ATOM 6206 C CE . LYS B 2 138 ? 10.250 -36.194 11.509 1.00 86.47 ? 816 LYS A CE 1 ATOM 6207 N NZ . LYS B 2 138 ? 10.097 -37.549 10.905 1.00 89.29 ? 816 LYS A NZ 1 ATOM 6208 N N . ALA B 2 139 ? 15.109 -35.379 15.517 1.00 59.40 ? 817 ALA A N 1 ATOM 6209 C CA . ALA B 2 139 ? 16.148 -35.486 16.539 1.00 58.67 ? 817 ALA A CA 1 ATOM 6210 C C . ALA B 2 139 ? 15.665 -36.505 17.565 1.00 59.45 ? 817 ALA A C 1 ATOM 6211 O O . ALA B 2 139 ? 14.856 -36.172 18.435 1.00 61.32 ? 817 ALA A O 1 ATOM 6212 C CB . ALA B 2 139 ? 16.431 -34.137 17.180 1.00 56.63 ? 817 ALA A CB 1 ATOM 6213 N N . LYS B 2 140 ? 16.167 -37.732 17.463 1.00 57.79 ? 818 LYS A N 1 ATOM 6214 C CA . LYS B 2 140 ? 15.720 -38.838 18.302 1.00 60.49 ? 818 LYS A CA 1 ATOM 6215 C C . LYS B 2 140 ? 16.657 -38.973 19.499 1.00 64.17 ? 818 LYS A C 1 ATOM 6216 O O . LYS B 2 140 ? 17.806 -39.400 19.346 1.00 66.25 ? 818 LYS A O 1 ATOM 6217 C CB . LYS B 2 140 ? 15.676 -40.131 17.490 1.00 63.25 ? 818 LYS A CB 1 ATOM 6218 C CG . LYS B 2 140 ? 15.168 -41.343 18.252 1.00 67.09 ? 818 LYS A CG 1 ATOM 6219 C CD . LYS B 2 140 ? 15.199 -42.587 17.375 1.00 69.28 ? 818 LYS A CD 1 ATOM 6220 C CE . LYS B 2 140 ? 14.617 -43.798 18.089 1.00 68.04 ? 818 LYS A CE 1 ATOM 6221 N NZ . LYS B 2 140 ? 14.608 -45.004 17.213 1.00 66.72 ? 818 LYS A NZ 1 ATOM 6222 N N . VAL B 2 141 ? 16.169 -38.609 20.686 1.00 65.80 ? 819 VAL A N 1 ATOM 6223 C CA . VAL B 2 141 ? 16.899 -38.850 21.928 1.00 68.46 ? 819 VAL A CA 1 ATOM 6224 C C . VAL B 2 141 ? 16.502 -40.226 22.446 1.00 73.47 ? 819 VAL A C 1 ATOM 6225 O O . VAL B 2 141 ? 15.332 -40.471 22.766 1.00 73.33 ? 819 VAL A O 1 ATOM 6226 C CB . VAL B 2 141 ? 16.636 -37.756 22.977 1.00 64.81 ? 819 VAL A CB 1 ATOM 6227 C CG1 . VAL B 2 141 ? 17.482 -36.537 22.689 1.00 65.90 ? 819 VAL A CG1 1 ATOM 6228 C CG2 . VAL B 2 141 ? 15.187 -37.358 23.001 1.00 64.97 ? 819 VAL A CG2 1 ATOM 6229 N N . PHE B 2 142 ? 17.483 -41.121 22.527 1.00 68.69 ? 820 PHE A N 1 ATOM 6230 C CA . PHE B 2 142 ? 17.232 -42.542 22.701 1.00 71.72 ? 820 PHE A CA 1 ATOM 6231 C C . PHE B 2 142 ? 18.343 -43.147 23.543 1.00 67.83 ? 820 PHE A C 1 ATOM 6232 O O . PHE B 2 142 ? 19.509 -42.760 23.422 1.00 65.79 ? 820 PHE A O 1 ATOM 6233 C CB . PHE B 2 142 ? 17.137 -43.238 21.334 1.00 78.33 ? 820 PHE A CB 1 ATOM 6234 C CG . PHE B 2 142 ? 17.403 -44.719 21.370 1.00 83.74 ? 820 PHE A CG 1 ATOM 6235 C CD1 . PHE B 2 142 ? 16.428 -45.607 21.800 1.00 84.46 ? 820 PHE A CD1 1 ATOM 6236 C CD2 . PHE B 2 142 ? 18.621 -45.227 20.941 1.00 86.29 ? 820 PHE A CD2 1 ATOM 6237 C CE1 . PHE B 2 142 ? 16.671 -46.971 21.820 1.00 85.66 ? 820 PHE A CE1 1 ATOM 6238 C CE2 . PHE B 2 142 ? 18.870 -46.589 20.958 1.00 86.86 ? 820 PHE A CE2 1 ATOM 6239 C CZ . PHE B 2 142 ? 17.893 -47.462 21.397 1.00 86.11 ? 820 PHE A CZ 1 ATOM 6240 N N . LYS B 2 143 ? 17.970 -44.091 24.400 1.00 61.78 ? 821 LYS A N 1 ATOM 6241 C CA . LYS B 2 143 ? 18.918 -44.823 25.226 1.00 57.28 ? 821 LYS A CA 1 ATOM 6242 C C . LYS B 2 143 ? 18.652 -46.310 25.043 1.00 53.04 ? 821 LYS A C 1 ATOM 6243 O O . LYS B 2 143 ? 17.515 -46.757 25.201 1.00 61.09 ? 821 LYS A O 1 ATOM 6244 C CB . LYS B 2 143 ? 18.781 -44.417 26.696 1.00 57.44 ? 821 LYS A CB 1 ATOM 6245 C CG . LYS B 2 143 ? 20.091 -44.367 27.454 1.00 61.32 ? 821 LYS A CG 1 ATOM 6246 C CD . LYS B 2 143 ? 19.924 -43.644 28.779 1.00 65.92 ? 821 LYS A CD 1 ATOM 6247 C CE . LYS B 2 143 ? 21.253 -43.518 29.506 1.00 72.50 ? 821 LYS A CE 1 ATOM 6248 N NZ . LYS B 2 143 ? 21.106 -42.803 30.805 1.00 75.79 ? 821 LYS A NZ 1 ATOM 6249 N N . ASP B 2 144 ? 19.686 -47.074 24.697 1.00 50.51 ? 822 ASP A N 1 ATOM 6250 C CA . ASP B 2 144 ? 19.489 -48.489 24.395 1.00 57.40 ? 822 ASP A CA 1 ATOM 6251 C C . ASP B 2 144 ? 19.498 -49.382 25.631 1.00 57.64 ? 822 ASP A C 1 ATOM 6252 O O . ASP B 2 144 ? 18.908 -50.470 25.596 1.00 55.02 ? 822 ASP A O 1 ATOM 6253 C CB . ASP B 2 144 ? 20.554 -48.980 23.405 1.00 64.74 ? 822 ASP A CB 1 ATOM 6254 C CG . ASP B 2 144 ? 21.929 -48.432 23.707 1.00 72.23 ? 822 ASP A CG 1 ATOM 6255 O OD1 . ASP B 2 144 ? 22.105 -47.833 24.787 1.00 77.49 ? 822 ASP A OD1 1 ATOM 6256 O OD2 . ASP B 2 144 ? 22.834 -48.602 22.861 1.00 73.00 ? 822 ASP A OD2 1 ATOM 6257 N N . VAL B 2 145 ? 20.160 -48.968 26.712 1.00 56.02 ? 823 VAL A N 1 ATOM 6258 C CA . VAL B 2 145 ? 20.220 -49.741 27.951 1.00 53.68 ? 823 VAL A CA 1 ATOM 6259 C C . VAL B 2 145 ? 20.037 -48.778 29.113 1.00 51.77 ? 823 VAL A C 1 ATOM 6260 O O . VAL B 2 145 ? 20.841 -47.856 29.288 1.00 56.24 ? 823 VAL A O 1 ATOM 6261 C CB . VAL B 2 145 ? 21.546 -50.507 28.106 1.00 54.26 ? 823 VAL A CB 1 ATOM 6262 C CG1 . VAL B 2 145 ? 21.584 -51.223 29.436 1.00 46.34 ? 823 VAL A CG1 1 ATOM 6263 C CG2 . VAL B 2 145 ? 21.726 -51.495 26.978 1.00 64.17 ? 823 VAL A CG2 1 ATOM 6264 N N . PHE B 2 146 ? 18.996 -48.984 29.914 1.00 46.02 ? 824 PHE A N 1 ATOM 6265 C CA . PHE B 2 146 ? 18.772 -48.028 30.992 1.00 49.92 ? 824 PHE A CA 1 ATOM 6266 C C . PHE B 2 146 ? 17.967 -48.676 32.107 1.00 51.85 ? 824 PHE A C 1 ATOM 6267 O O . PHE B 2 146 ? 17.156 -49.569 31.864 1.00 53.27 ? 824 PHE A O 1 ATOM 6268 C CB . PHE B 2 146 ? 18.058 -46.768 30.487 1.00 46.80 ? 824 PHE A CB 1 ATOM 6269 C CG . PHE B 2 146 ? 16.701 -47.033 29.906 1.00 48.08 ? 824 PHE A CG 1 ATOM 6270 C CD1 . PHE B 2 146 ? 16.560 -47.376 28.571 1.00 49.82 ? 824 PHE A CD1 1 ATOM 6271 C CD2 . PHE B 2 146 ? 15.567 -46.928 30.691 1.00 46.08 ? 824 PHE A CD2 1 ATOM 6272 C CE1 . PHE B 2 146 ? 15.315 -47.616 28.035 1.00 47.67 ? 824 PHE A CE1 1 ATOM 6273 C CE2 . PHE B 2 146 ? 14.318 -47.167 30.159 1.00 48.33 ? 824 PHE A CE2 1 ATOM 6274 C CZ . PHE B 2 146 ? 14.193 -47.513 28.829 1.00 47.97 ? 824 PHE A CZ 1 ATOM 6275 N N . LEU B 2 147 ? 18.194 -48.208 33.329 1.00 51.02 ? 825 LEU A N 1 ATOM 6276 C CA . LEU B 2 147 ? 17.494 -48.715 34.500 1.00 45.01 ? 825 LEU A CA 1 ATOM 6277 C C . LEU B 2 147 ? 16.416 -47.736 34.935 1.00 42.08 ? 825 LEU A C 1 ATOM 6278 O O . LEU B 2 147 ? 16.617 -46.520 34.898 1.00 47.15 ? 825 LEU A O 1 ATOM 6279 C CB . LEU B 2 147 ? 18.471 -48.950 35.655 1.00 46.88 ? 825 LEU A CB 1 ATOM 6280 C CG . LEU B 2 147 ? 17.909 -49.007 37.084 1.00 44.21 ? 825 LEU A CG 1 ATOM 6281 C CD1 . LEU B 2 147 ? 17.130 -50.285 37.338 1.00 39.69 ? 825 LEU A CD1 1 ATOM 6282 C CD2 . LEU B 2 147 ? 19.025 -48.862 38.095 1.00 43.18 ? 825 LEU A CD2 1 ATOM 6283 N N . GLU B 2 148 ? 15.272 -48.266 35.348 1.00 43.23 ? 826 GLU A N 1 ATOM 6284 C CA . GLU B 2 148 ? 14.303 -47.469 36.084 1.00 47.18 ? 826 GLU A CA 1 ATOM 6285 C C . GLU B 2 148 ? 13.820 -48.241 37.306 1.00 49.79 ? 826 GLU A C 1 ATOM 6286 O O . GLU B 2 148 ? 13.745 -49.473 37.296 1.00 47.21 ? 826 GLU A O 1 ATOM 6287 C CB . GLU B 2 148 ? 13.117 -47.044 35.205 1.00 47.16 ? 826 GLU A CB 1 ATOM 6288 C CG . GLU B 2 148 ? 12.314 -48.162 34.595 1.00 53.97 ? 826 GLU A CG 1 ATOM 6289 C CD . GLU B 2 148 ? 11.066 -47.645 33.906 1.00 60.63 ? 826 GLU A CD 1 ATOM 6290 O OE1 . GLU B 2 148 ? 9.955 -47.968 34.376 1.00 68.68 ? 826 GLU A OE1 1 ATOM 6291 O OE2 . GLU B 2 148 ? 11.194 -46.897 32.911 1.00 54.54 ? 826 GLU A OE2 1 ATOM 6292 N N . MET B 2 149 ? 13.519 -47.498 38.372 1.00 49.22 ? 827 MET A N 1 ATOM 6293 C CA . MET B 2 149 ? 13.074 -48.058 39.642 1.00 43.36 ? 827 MET A CA 1 ATOM 6294 C C . MET B 2 149 ? 11.699 -47.509 39.994 1.00 44.34 ? 827 MET A C 1 ATOM 6295 O O . MET B 2 149 ? 11.414 -46.329 39.771 1.00 47.86 ? 827 MET A O 1 ATOM 6296 C CB . MET B 2 149 ? 14.058 -47.735 40.771 1.00 36.05 ? 827 MET A CB 1 ATOM 6297 C CG . MET B 2 149 ? 15.421 -48.381 40.629 1.00 41.81 ? 827 MET A CG 1 ATOM 6298 S SD . MET B 2 149 ? 15.370 -50.162 40.881 1.00 47.33 ? 827 MET A SD 1 ATOM 6299 C CE . MET B 2 149 ? 14.659 -50.242 42.522 1.00 48.02 ? 827 MET A CE 1 ATOM 6300 N N . ASN B 2 150 ? 10.853 -48.363 40.553 1.00 41.77 ? 828 ASN A N 1 ATOM 6301 C CA . ASN B 2 150 ? 9.505 -47.982 40.966 1.00 46.16 ? 828 ASN A CA 1 ATOM 6302 C C . ASN B 2 150 ? 9.506 -47.820 42.480 1.00 51.06 ? 828 ASN A C 1 ATOM 6303 O O . ASN B 2 150 ? 9.460 -48.804 43.223 1.00 57.53 ? 828 ASN A O 1 ATOM 6304 C CB . ASN B 2 150 ? 8.488 -49.024 40.518 1.00 54.87 ? 828 ASN A CB 1 ATOM 6305 C CG . ASN B 2 150 ? 8.473 -49.209 39.020 1.00 63.08 ? 828 ASN A CG 1 ATOM 6306 O OD1 . ASN B 2 150 ? 8.537 -48.239 38.263 1.00 70.64 ? 828 ASN A OD1 1 ATOM 6307 N ND2 . ASN B 2 150 ? 8.398 -50.458 38.579 1.00 63.52 ? 828 ASN A ND2 1 ATOM 6308 N N . ILE B 2 151 ? 9.560 -46.579 42.937 1.00 46.96 ? 829 ILE A N 1 ATOM 6309 C CA . ILE B 2 151 ? 9.594 -46.258 44.361 1.00 48.19 ? 829 ILE A CA 1 ATOM 6310 C C . ILE B 2 151 ? 8.188 -45.861 44.796 1.00 47.29 ? 829 ILE A C 1 ATOM 6311 O O . ILE B 2 151 ? 7.583 -44.989 44.157 1.00 47.82 ? 829 ILE A O 1 ATOM 6312 C CB . ILE B 2 151 ? 10.599 -45.132 44.661 1.00 45.45 ? 829 ILE A CB 1 ATOM 6313 C CG1 . ILE B 2 151 ? 11.993 -45.531 44.176 1.00 41.83 ? 829 ILE A CG1 1 ATOM 6314 C CG2 . ILE B 2 151 ? 10.617 -44.811 46.145 1.00 44.55 ? 829 ILE A CG2 1 ATOM 6315 C CD1 . ILE B 2 151 ? 12.480 -46.853 44.719 1.00 42.61 ? 829 ILE A CD1 1 ATOM 6316 N N . PRO B 2 152 ? 7.637 -46.463 45.848 1.00 42.60 ? 830 PRO A N 1 ATOM 6317 C CA . PRO B 2 152 ? 6.284 -46.099 46.282 1.00 41.72 ? 830 PRO A CA 1 ATOM 6318 C C . PRO B 2 152 ? 6.226 -44.677 46.820 1.00 39.38 ? 830 PRO A C 1 ATOM 6319 O O . PRO B 2 152 ? 7.242 -44.058 47.147 1.00 38.18 ? 830 PRO A O 1 ATOM 6320 C CB . PRO B 2 152 ? 5.977 -47.122 47.382 1.00 42.87 ? 830 PRO A CB 1 ATOM 6321 C CG . PRO B 2 152 ? 7.315 -47.532 47.891 1.00 45.78 ? 830 PRO A CG 1 ATOM 6322 C CD . PRO B 2 152 ? 8.214 -47.529 46.684 1.00 43.99 ? 830 PRO A CD 1 ATOM 6323 N N . TYR B 2 153 ? 4.996 -44.163 46.910 1.00 37.92 ? 831 TYR A N 1 ATOM 6324 C CA . TYR B 2 153 ? 4.791 -42.802 47.399 1.00 43.69 ? 831 TYR A CA 1 ATOM 6325 C C . TYR B 2 153 ? 5.295 -42.649 48.830 1.00 43.94 ? 831 TYR A C 1 ATOM 6326 O O . TYR B 2 153 ? 6.089 -41.750 49.129 1.00 44.80 ? 831 TYR A O 1 ATOM 6327 C CB . TYR B 2 153 ? 3.312 -42.421 47.306 1.00 46.52 ? 831 TYR A CB 1 ATOM 6328 C CG . TYR B 2 153 ? 3.002 -41.064 47.900 1.00 53.22 ? 831 TYR A CG 1 ATOM 6329 C CD1 . TYR B 2 153 ? 3.301 -39.894 47.211 1.00 54.80 ? 831 TYR A CD1 1 ATOM 6330 C CD2 . TYR B 2 153 ? 2.416 -40.951 49.153 1.00 57.40 ? 831 TYR A CD2 1 ATOM 6331 C CE1 . TYR B 2 153 ? 3.026 -38.653 47.754 1.00 55.13 ? 831 TYR A CE1 1 ATOM 6332 C CE2 . TYR B 2 153 ? 2.137 -39.715 49.704 1.00 56.97 ? 831 TYR A CE2 1 ATOM 6333 C CZ . TYR B 2 153 ? 2.443 -38.571 49.002 1.00 58.62 ? 831 TYR A CZ 1 ATOM 6334 O OH . TYR B 2 153 ? 2.163 -37.342 49.555 1.00 63.71 ? 831 TYR A OH 1 ATOM 6335 N N . SER B 2 154 ? 4.847 -43.520 49.728 1.00 43.03 ? 832 SER A N 1 ATOM 6336 C CA . SER B 2 154 ? 5.278 -43.465 51.113 1.00 43.39 ? 832 SER A CA 1 ATOM 6337 C C . SER B 2 154 ? 5.464 -44.876 51.641 1.00 41.29 ? 832 SER A C 1 ATOM 6338 O O . SER B 2 154 ? 4.934 -45.847 51.098 1.00 39.16 ? 832 SER A O 1 ATOM 6339 C CB . SER B 2 154 ? 4.281 -42.709 51.998 1.00 45.92 ? 832 SER A CB 1 ATOM 6340 O OG . SER B 2 154 ? 3.036 -43.380 52.027 1.00 51.84 ? 832 SER A OG 1 ATOM 6341 N N . VAL B 2 155 ? 6.227 -44.964 52.723 1.00 43.26 ? 833 VAL A N 1 ATOM 6342 C CA . VAL B 2 155 ? 6.533 -46.214 53.402 1.00 43.11 ? 833 VAL A CA 1 ATOM 6343 C C . VAL B 2 155 ? 6.537 -45.931 54.898 1.00 47.01 ? 833 VAL A C 1 ATOM 6344 O O . VAL B 2 155 ? 7.140 -44.950 55.343 1.00 49.69 ? 833 VAL A O 1 ATOM 6345 C CB . VAL B 2 155 ? 7.888 -46.782 52.938 1.00 41.90 ? 833 VAL A CB 1 ATOM 6346 C CG1 . VAL B 2 155 ? 8.458 -47.717 53.973 1.00 44.86 ? 833 VAL A CG1 1 ATOM 6347 C CG2 . VAL B 2 155 ? 7.724 -47.496 51.615 1.00 43.71 ? 833 VAL A CG2 1 ATOM 6348 N N . VAL B 2 156 ? 5.852 -46.768 55.671 1.00 47.64 ? 834 VAL A N 1 ATOM 6349 C CA . VAL B 2 156 ? 5.791 -46.583 57.118 1.00 43.20 ? 834 VAL A CA 1 ATOM 6350 C C . VAL B 2 156 ? 7.074 -47.104 57.749 1.00 44.47 ? 834 VAL A C 1 ATOM 6351 O O . VAL B 2 156 ? 7.570 -48.177 57.384 1.00 47.49 ? 834 VAL A O 1 ATOM 6352 C CB . VAL B 2 156 ? 4.558 -47.290 57.702 1.00 37.55 ? 834 VAL A CB 1 ATOM 6353 C CG1 . VAL B 2 156 ? 4.370 -46.894 59.156 1.00 37.72 ? 834 VAL A CG1 1 ATOM 6354 C CG2 . VAL B 2 156 ? 3.316 -46.977 56.876 1.00 30.77 ? 834 VAL A CG2 1 ATOM 6355 N N . ARG B 2 157 ? 7.610 -46.352 58.713 1.00 44.88 ? 835 ARG A N 1 ATOM 6356 C CA . ARG B 2 157 ? 8.835 -46.760 59.391 1.00 41.09 ? 835 ARG A CA 1 ATOM 6357 C C . ARG B 2 157 ? 8.690 -48.153 59.991 1.00 40.61 ? 835 ARG A C 1 ATOM 6358 O O . ARG B 2 157 ? 7.668 -48.488 60.594 1.00 33.36 ? 835 ARG A O 1 ATOM 6359 C CB . ARG B 2 157 ? 9.201 -45.760 60.488 1.00 39.74 ? 835 ARG A CB 1 ATOM 6360 C CG . ARG B 2 157 ? 10.418 -46.175 61.303 1.00 44.49 ? 835 ARG A CG 1 ATOM 6361 C CD . ARG B 2 157 ? 10.677 -45.235 62.466 1.00 47.19 ? 835 ARG A CD 1 ATOM 6362 N NE . ARG B 2 157 ? 9.524 -45.106 63.351 1.00 48.32 ? 835 ARG A NE 1 ATOM 6363 C CZ . ARG B 2 157 ? 9.475 -44.264 64.378 1.00 45.20 ? 835 ARG A CZ 1 ATOM 6364 N NH1 . ARG B 2 157 ? 10.514 -43.484 64.641 1.00 39.61 ? 835 ARG A NH1 1 ATOM 6365 N NH2 . ARG B 2 157 ? 8.391 -44.198 65.138 1.00 46.14 ? 835 ARG A NH2 1 ATOM 6366 N N . GLY B 2 158 ? 9.721 -48.972 59.815 1.00 44.99 ? 836 GLY A N 1 ATOM 6367 C CA . GLY B 2 158 ? 9.731 -50.329 60.306 1.00 41.67 ? 836 GLY A CA 1 ATOM 6368 C C . GLY B 2 158 ? 9.331 -51.373 59.284 1.00 37.70 ? 836 GLY A C 1 ATOM 6369 O O . GLY B 2 158 ? 9.621 -52.557 59.485 1.00 37.22 ? 836 GLY A O 1 ATOM 6370 N N . GLU B 2 159 ? 8.675 -50.973 58.198 1.00 36.47 ? 837 GLU A N 1 ATOM 6371 C CA . GLU B 2 159 ? 8.240 -51.932 57.195 1.00 40.25 ? 837 GLU A CA 1 ATOM 6372 C C . GLU B 2 159 ? 9.419 -52.384 56.342 1.00 39.89 ? 837 GLU A C 1 ATOM 6373 O O . GLU B 2 159 ? 10.290 -51.587 55.984 1.00 43.79 ? 837 GLU A O 1 ATOM 6374 C CB . GLU B 2 159 ? 7.153 -51.323 56.312 1.00 39.96 ? 837 GLU A CB 1 ATOM 6375 C CG . GLU B 2 159 ? 5.847 -51.041 57.038 1.00 43.37 ? 837 GLU A CG 1 ATOM 6376 C CD . GLU B 2 159 ? 4.811 -50.410 56.130 1.00 51.98 ? 837 GLU A CD 1 ATOM 6377 O OE1 . GLU B 2 159 ? 5.203 -49.626 55.239 1.00 54.65 ? 837 GLU A OE1 1 ATOM 6378 O OE2 . GLU B 2 159 ? 3.608 -50.702 56.296 1.00 52.62 ? 837 GLU A OE2 1 ATOM 6379 N N . GLN B 2 160 ? 9.452 -53.676 56.030 1.00 36.24 ? 838 GLN A N 1 ATOM 6380 C CA . GLN B 2 160 ? 10.458 -54.220 55.125 1.00 41.94 ? 838 GLN A CA 1 ATOM 6381 C C . GLN B 2 160 ? 9.901 -54.177 53.706 1.00 42.93 ? 838 GLN A C 1 ATOM 6382 O O . GLN B 2 160 ? 8.976 -54.923 53.372 1.00 42.28 ? 838 GLN A O 1 ATOM 6383 C CB . GLN B 2 160 ? 10.843 -55.637 55.525 1.00 45.13 ? 838 GLN A CB 1 ATOM 6384 C CG . GLN B 2 160 ? 12.234 -55.998 55.076 1.00 52.21 ? 838 GLN A CG 1 ATOM 6385 C CD . GLN B 2 160 ? 12.616 -57.398 55.460 1.00 56.64 ? 838 GLN A CD 1 ATOM 6386 O OE1 . GLN B 2 160 ? 13.664 -57.622 56.063 1.00 62.84 ? 838 GLN A OE1 1 ATOM 6387 N NE2 . GLN B 2 160 ? 11.769 -58.356 55.111 1.00 55.93 ? 838 GLN A NE2 1 ATOM 6388 N N . ILE B 2 161 ? 10.467 -53.300 52.877 1.00 42.59 ? 839 ILE A N 1 ATOM 6389 C CA . ILE B 2 161 ? 9.955 -52.991 51.548 1.00 34.97 ? 839 ILE A CA 1 ATOM 6390 C C . ILE B 2 161 ? 10.824 -53.656 50.494 1.00 40.21 ? 839 ILE A C 1 ATOM 6391 O O . ILE B 2 161 ? 12.062 -53.628 50.578 1.00 36.19 ? 839 ILE A O 1 ATOM 6392 C CB . ILE B 2 161 ? 9.910 -51.469 51.329 1.00 40.78 ? 839 ILE A CB 1 ATOM 6393 C CG1 . ILE B 2 161 ? 9.143 -50.805 52.458 1.00 45.49 ? 839 ILE A CG1 1 ATOM 6394 C CG2 . ILE B 2 161 ? 9.261 -51.139 49.996 1.00 43.30 ? 839 ILE A CG2 1 ATOM 6395 C CD1 . ILE B 2 161 ? 7.743 -51.331 52.611 1.00 52.66 ? 839 ILE A CD1 1 ATOM 6396 N N . GLN B 2 162 ? 10.176 -54.249 49.490 1.00 35.68 ? 840 GLN A N 1 ATOM 6397 C CA . GLN B 2 162 ? 10.841 -54.731 48.284 1.00 44.27 ? 840 GLN A CA 1 ATOM 6398 C C . GLN B 2 162 ? 10.695 -53.667 47.201 1.00 45.31 ? 840 GLN A C 1 ATOM 6399 O O . GLN B 2 162 ? 9.590 -53.422 46.708 1.00 49.63 ? 840 GLN A O 1 ATOM 6400 C CB . GLN B 2 162 ? 10.251 -56.060 47.824 1.00 44.16 ? 840 GLN A CB 1 ATOM 6401 C CG . GLN B 2 162 ? 10.784 -56.539 46.490 1.00 50.85 ? 840 GLN A CG 1 ATOM 6402 C CD . GLN B 2 162 ? 9.876 -57.561 45.844 1.00 58.84 ? 840 GLN A CD 1 ATOM 6403 O OE1 . GLN B 2 162 ? 8.656 -57.496 45.985 1.00 58.36 ? 840 GLN A OE1 1 ATOM 6404 N NE2 . GLN B 2 162 ? 10.466 -58.518 45.137 1.00 63.00 ? 840 GLN A NE2 1 ATOM 6405 N N . LEU B 2 163 ? 11.806 -53.035 46.839 1.00 42.48 ? 841 LEU A N 1 ATOM 6406 C CA . LEU B 2 163 ? 11.830 -52.030 45.784 1.00 44.90 ? 841 LEU A CA 1 ATOM 6407 C C . LEU B 2 163 ? 12.093 -52.718 44.451 1.00 49.56 ? 841 LEU A C 1 ATOM 6408 O O . LEU B 2 163 ? 13.167 -53.299 44.250 1.00 50.93 ? 841 LEU A O 1 ATOM 6409 C CB . LEU B 2 163 ? 12.897 -50.974 46.067 1.00 41.00 ? 841 LEU A CB 1 ATOM 6410 C CG . LEU B 2 163 ? 12.664 -50.168 47.344 1.00 41.27 ? 841 LEU A CG 1 ATOM 6411 C CD1 . LEU B 2 163 ? 13.775 -49.163 47.554 1.00 40.93 ? 841 LEU A CD1 1 ATOM 6412 C CD2 . LEU B 2 163 ? 11.319 -49.474 47.272 1.00 41.84 ? 841 LEU A CD2 1 ATOM 6413 N N . LYS B 2 164 ? 11.112 -52.659 43.553 1.00 50.66 ? 842 LYS A N 1 ATOM 6414 C CA . LYS B 2 164 ? 11.180 -53.307 42.251 1.00 48.02 ? 842 LYS A CA 1 ATOM 6415 C C . LYS B 2 164 ? 11.631 -52.320 41.181 1.00 44.69 ? 842 LYS A C 1 ATOM 6416 O O . LYS B 2 164 ? 11.335 -51.125 41.239 1.00 44.10 ? 842 LYS A O 1 ATOM 6417 C CB . LYS B 2 164 ? 9.823 -53.894 41.853 1.00 47.70 ? 842 LYS A CB 1 ATOM 6418 C CG . LYS B 2 164 ? 9.359 -55.074 42.683 1.00 53.60 ? 842 LYS A CG 1 ATOM 6419 C CD . LYS B 2 164 ? 8.055 -55.628 42.123 1.00 61.06 ? 842 LYS A CD 1 ATOM 6420 C CE . LYS B 2 164 ? 7.606 -56.872 42.874 1.00 71.09 ? 842 LYS A CE 1 ATOM 6421 N NZ . LYS B 2 164 ? 6.363 -57.466 42.301 1.00 75.15 ? 842 LYS A NZ 1 ATOM 6422 N N . GLY B 2 165 ? 12.340 -52.844 40.190 1.00 43.39 ? 843 GLY A N 1 ATOM 6423 C CA . GLY B 2 165 ? 12.831 -52.040 39.092 1.00 46.01 ? 843 GLY A CA 1 ATOM 6424 C C . GLY B 2 165 ? 13.053 -52.931 37.894 1.00 51.65 ? 843 GLY A C 1 ATOM 6425 O O . GLY B 2 165 ? 12.875 -54.150 37.957 1.00 54.00 ? 843 GLY A O 1 ATOM 6426 N N . THR B 2 166 ? 13.457 -52.301 36.791 1.00 50.09 ? 844 THR A N 1 ATOM 6427 C CA . THR B 2 166 ? 13.669 -52.994 35.530 1.00 45.34 ? 844 THR A CA 1 ATOM 6428 C C . THR B 2 166 ? 14.840 -52.352 34.800 1.00 43.40 ? 844 THR A C 1 ATOM 6429 O O . THR B 2 166 ? 14.940 -51.122 34.744 1.00 42.02 ? 844 THR A O 1 ATOM 6430 C CB . THR B 2 166 ? 12.407 -52.942 34.656 1.00 49.09 ? 844 THR A CB 1 ATOM 6431 O OG1 . THR B 2 166 ? 11.322 -53.587 35.332 1.00 51.03 ? 844 THR A OG1 1 ATOM 6432 C CG2 . THR B 2 166 ? 12.635 -53.634 33.323 1.00 52.95 ? 844 THR A CG2 1 ATOM 6433 N N . VAL B 2 167 ? 15.726 -53.184 34.251 1.00 46.12 ? 845 VAL A N 1 ATOM 6434 C CA . VAL B 2 167 ? 16.738 -52.726 33.303 1.00 50.07 ? 845 VAL A CA 1 ATOM 6435 C C . VAL B 2 167 ? 16.298 -53.116 31.895 1.00 48.40 ? 845 VAL A C 1 ATOM 6436 O O . VAL B 2 167 ? 15.934 -54.272 31.640 1.00 42.86 ? 845 VAL A O 1 ATOM 6437 C CB . VAL B 2 167 ? 18.137 -53.284 33.632 1.00 49.11 ? 845 VAL A CB 1 ATOM 6438 C CG1 . VAL B 2 167 ? 18.650 -52.685 34.923 1.00 51.42 ? 845 VAL A CG1 1 ATOM 6439 C CG2 . VAL B 2 167 ? 18.118 -54.783 33.737 1.00 52.55 ? 845 VAL A CG2 1 ATOM 6440 N N . TYR B 2 168 ? 16.315 -52.140 30.991 1.00 44.67 ? 846 TYR A N 1 ATOM 6441 C CA . TYR B 2 168 ? 15.875 -52.300 29.613 1.00 42.90 ? 846 TYR A CA 1 ATOM 6442 C C . TYR B 2 168 ? 17.084 -52.397 28.695 1.00 45.73 ? 846 TYR A C 1 ATOM 6443 O O . TYR B 2 168 ? 18.014 -51.582 28.795 1.00 47.42 ? 846 TYR A O 1 ATOM 6444 C CB . TYR B 2 168 ? 14.998 -51.126 29.176 1.00 42.13 ? 846 TYR A CB 1 ATOM 6445 C CG . TYR B 2 168 ? 13.684 -51.014 29.905 1.00 52.75 ? 846 TYR A CG 1 ATOM 6446 C CD1 . TYR B 2 168 ? 13.584 -50.302 31.094 1.00 51.75 ? 846 TYR A CD1 1 ATOM 6447 C CD2 . TYR B 2 168 ? 12.538 -51.614 29.401 1.00 52.78 ? 846 TYR A CD2 1 ATOM 6448 C CE1 . TYR B 2 168 ? 12.381 -50.193 31.760 1.00 50.12 ? 846 TYR A CE1 1 ATOM 6449 C CE2 . TYR B 2 168 ? 11.330 -51.509 30.063 1.00 51.79 ? 846 TYR A CE2 1 ATOM 6450 C CZ . TYR B 2 168 ? 11.258 -50.799 31.240 1.00 54.36 ? 846 TYR A CZ 1 ATOM 6451 O OH . TYR B 2 168 ? 10.055 -50.696 31.900 1.00 62.12 ? 846 TYR A OH 1 ATOM 6452 N N . ASN B 2 169 ? 17.052 -53.380 27.793 1.00 48.10 ? 847 ASN A N 1 ATOM 6453 C CA . ASN B 2 169 ? 18.086 -53.572 26.776 1.00 55.08 ? 847 ASN A CA 1 ATOM 6454 C C . ASN B 2 169 ? 17.415 -53.641 25.406 1.00 61.06 ? 847 ASN A C 1 ATOM 6455 O O . ASN B 2 169 ? 16.850 -54.677 25.034 1.00 64.79 ? 847 ASN A O 1 ATOM 6456 C CB . ASN B 2 169 ? 18.899 -54.829 27.051 1.00 54.45 ? 847 ASN A CB 1 ATOM 6457 C CG . ASN B 2 169 ? 19.963 -55.064 26.007 1.00 60.69 ? 847 ASN A CG 1 ATOM 6458 O OD1 . ASN B 2 169 ? 20.366 -54.139 25.301 1.00 62.64 ? 847 ASN A OD1 1 ATOM 6459 N ND2 . ASN B 2 169 ? 20.426 -56.304 25.897 1.00 63.53 ? 847 ASN A ND2 1 ATOM 6460 N N . TYR B 2 170 ? 17.482 -52.540 24.655 1.00 58.65 ? 848 TYR A N 1 ATOM 6461 C CA . TYR B 2 170 ? 16.897 -52.483 23.323 1.00 58.83 ? 848 TYR A CA 1 ATOM 6462 C C . TYR B 2 170 ? 17.878 -52.876 22.228 1.00 62.21 ? 848 TYR A C 1 ATOM 6463 O O . TYR B 2 170 ? 17.474 -52.997 21.066 1.00 63.10 ? 848 TYR A O 1 ATOM 6464 C CB . TYR B 2 170 ? 16.338 -51.082 23.048 1.00 57.01 ? 848 TYR A CB 1 ATOM 6465 C CG . TYR B 2 170 ? 15.044 -50.803 23.782 1.00 62.76 ? 848 TYR A CG 1 ATOM 6466 C CD1 . TYR B 2 170 ? 13.833 -51.281 23.300 1.00 66.29 ? 848 TYR A CD1 1 ATOM 6467 C CD2 . TYR B 2 170 ? 15.034 -50.071 24.963 1.00 66.04 ? 848 TYR A CD2 1 ATOM 6468 C CE1 . TYR B 2 170 ? 12.647 -51.035 23.971 1.00 67.09 ? 848 TYR A CE1 1 ATOM 6469 C CE2 . TYR B 2 170 ? 13.854 -49.820 25.640 1.00 66.04 ? 848 TYR A CE2 1 ATOM 6470 C CZ . TYR B 2 170 ? 12.664 -50.305 25.138 1.00 68.47 ? 848 TYR A CZ 1 ATOM 6471 O OH . TYR B 2 170 ? 11.489 -50.055 25.812 1.00 73.31 ? 848 TYR A OH 1 ATOM 6472 N N . ARG B 2 171 ? 19.144 -53.082 22.568 1.00 60.95 ? 849 ARG A N 1 ATOM 6473 C CA . ARG B 2 171 ? 20.087 -53.630 21.612 1.00 62.36 ? 849 ARG A CA 1 ATOM 6474 C C . ARG B 2 171 ? 19.714 -55.069 21.285 1.00 63.63 ? 849 ARG A C 1 ATOM 6475 O O . ARG B 2 171 ? 19.132 -55.785 22.103 1.00 62.79 ? 849 ARG A O 1 ATOM 6476 C CB . ARG B 2 171 ? 21.510 -53.560 22.164 1.00 63.17 ? 849 ARG A CB 1 ATOM 6477 C CG . ARG B 2 171 ? 21.953 -52.151 22.497 1.00 64.57 ? 849 ARG A CG 1 ATOM 6478 C CD . ARG B 2 171 ? 23.024 -52.154 23.564 1.00 68.69 ? 849 ARG A CD 1 ATOM 6479 N NE . ARG B 2 171 ? 24.351 -52.432 23.027 1.00 72.34 ? 849 ARG A NE 1 ATOM 6480 C CZ . ARG B 2 171 ? 25.320 -51.527 22.944 1.00 77.20 ? 849 ARG A CZ 1 ATOM 6481 N NH1 . ARG B 2 171 ? 25.110 -50.287 23.368 1.00 75.77 ? 849 ARG A NH1 1 ATOM 6482 N NH2 . ARG B 2 171 ? 26.502 -51.862 22.443 1.00 81.18 ? 849 ARG A NH2 1 ATOM 6483 N N . THR B 2 172 ? 20.047 -55.486 20.064 1.00 66.99 ? 850 THR A N 1 ATOM 6484 C CA . THR B 2 172 ? 19.691 -56.824 19.614 1.00 65.20 ? 850 THR A CA 1 ATOM 6485 C C . THR B 2 172 ? 20.530 -57.911 20.268 1.00 63.80 ? 850 THR A C 1 ATOM 6486 O O . THR B 2 172 ? 20.170 -59.087 20.168 1.00 64.39 ? 850 THR A O 1 ATOM 6487 C CB . THR B 2 172 ? 19.824 -56.913 18.093 1.00 66.42 ? 850 THR A CB 1 ATOM 6488 O OG1 . THR B 2 172 ? 21.181 -56.655 17.711 1.00 66.13 ? 850 THR A OG1 1 ATOM 6489 C CG2 . THR B 2 172 ? 18.910 -55.896 17.433 1.00 65.73 ? 850 THR A CG2 1 ATOM 6490 N N . SER B 2 173 ? 21.620 -57.555 20.938 1.00 64.09 ? 851 SER A N 1 ATOM 6491 C CA . SER B 2 173 ? 22.493 -58.521 21.587 1.00 68.24 ? 851 SER A CA 1 ATOM 6492 C C . SER B 2 173 ? 22.453 -58.337 23.099 1.00 67.80 ? 851 SER A C 1 ATOM 6493 O O . SER B 2 173 ? 22.493 -57.208 23.600 1.00 65.05 ? 851 SER A O 1 ATOM 6494 C CB . SER B 2 173 ? 23.928 -58.382 21.080 1.00 70.50 ? 851 SER A CB 1 ATOM 6495 O OG . SER B 2 173 ? 24.388 -57.053 21.246 1.00 71.39 ? 851 SER A OG 1 ATOM 6496 N N . GLY B 2 174 ? 22.369 -59.454 23.819 1.00 67.51 ? 852 GLY A N 1 ATOM 6497 C CA . GLY B 2 174 ? 22.392 -59.421 25.265 1.00 66.50 ? 852 GLY A CA 1 ATOM 6498 C C . GLY B 2 174 ? 23.727 -58.943 25.804 1.00 67.16 ? 852 GLY A C 1 ATOM 6499 O O . GLY B 2 174 ? 24.735 -58.876 25.098 1.00 64.73 ? 852 GLY A O 1 ATOM 6500 N N . MET B 2 175 ? 23.732 -58.604 27.093 1.00 67.43 ? 853 MET A N 1 ATOM 6501 C CA . MET B 2 175 ? 24.925 -58.024 27.693 1.00 67.03 ? 853 MET A CA 1 ATOM 6502 C C . MET B 2 175 ? 24.899 -58.205 29.203 1.00 61.91 ? 853 MET A C 1 ATOM 6503 O O . MET B 2 175 ? 23.851 -58.456 29.804 1.00 59.09 ? 853 MET A O 1 ATOM 6504 C CB . MET B 2 175 ? 25.051 -56.539 27.349 1.00 68.26 ? 853 MET A CB 1 ATOM 6505 C CG . MET B 2 175 ? 23.815 -55.742 27.691 1.00 69.14 ? 853 MET A CG 1 ATOM 6506 S SD . MET B 2 175 ? 24.079 -53.981 27.455 1.00 75.78 ? 853 MET A SD 1 ATOM 6507 C CE . MET B 2 175 ? 24.959 -53.990 25.896 1.00 81.89 ? 853 MET A CE 1 ATOM 6508 N N . GLN B 2 176 ? 26.075 -58.053 29.805 1.00 59.73 ? 854 GLN A N 1 ATOM 6509 C CA . GLN B 2 176 ? 26.243 -58.131 31.246 1.00 59.95 ? 854 GLN A CA 1 ATOM 6510 C C . GLN B 2 176 ? 26.028 -56.761 31.881 1.00 58.09 ? 854 GLN A C 1 ATOM 6511 O O . GLN B 2 176 ? 26.169 -55.719 31.237 1.00 61.71 ? 854 GLN A O 1 ATOM 6512 C CB . GLN B 2 176 ? 27.632 -58.662 31.595 1.00 59.17 ? 854 GLN A CB 1 ATOM 6513 C CG . GLN B 2 176 ? 27.623 -59.770 32.628 1.00 61.58 ? 854 GLN A CG 1 ATOM 6514 C CD . GLN B 2 176 ? 29.008 -60.289 32.929 1.00 66.97 ? 854 GLN A CD 1 ATOM 6515 O OE1 . GLN B 2 176 ? 30.005 -59.682 32.544 1.00 69.77 ? 854 GLN A OE1 1 ATOM 6516 N NE2 . GLN B 2 176 ? 29.080 -61.421 33.619 1.00 74.17 ? 854 GLN A NE2 1 ATOM 6517 N N . PHE B 2 177 ? 25.687 -56.774 33.165 1.00 55.42 ? 855 PHE A N 1 ATOM 6518 C CA . PHE B 2 177 ? 25.398 -55.550 33.901 1.00 55.36 ? 855 PHE A CA 1 ATOM 6519 C C . PHE B 2 177 ? 25.350 -55.885 35.384 1.00 53.29 ? 855 PHE A C 1 ATOM 6520 O O . PHE B 2 177 ? 25.428 -57.049 35.781 1.00 49.20 ? 855 PHE A O 1 ATOM 6521 C CB . PHE B 2 177 ? 24.072 -54.933 33.461 1.00 53.93 ? 855 PHE A CB 1 ATOM 6522 C CG . PHE B 2 177 ? 22.875 -55.627 34.039 1.00 55.33 ? 855 PHE A CG 1 ATOM 6523 C CD1 . PHE B 2 177 ? 22.471 -56.862 33.557 1.00 55.88 ? 855 PHE A CD1 1 ATOM 6524 C CD2 . PHE B 2 177 ? 22.164 -55.054 35.079 1.00 54.45 ? 855 PHE A CD2 1 ATOM 6525 C CE1 . PHE B 2 177 ? 21.375 -57.506 34.101 1.00 57.41 ? 855 PHE A CE1 1 ATOM 6526 C CE2 . PHE B 2 177 ? 21.066 -55.691 35.621 1.00 53.11 ? 855 PHE A CE2 1 ATOM 6527 C CZ . PHE B 2 177 ? 20.668 -56.917 35.130 1.00 54.02 ? 855 PHE A CZ 1 ATOM 6528 N N . CYS B 2 178 ? 25.202 -54.842 36.200 1.00 52.49 ? 856 CYS A N 1 ATOM 6529 C CA . CYS B 2 178 ? 24.938 -55.022 37.622 1.00 56.27 ? 856 CYS A CA 1 ATOM 6530 C C . CYS B 2 178 ? 24.424 -53.712 38.192 1.00 60.40 ? 856 CYS A C 1 ATOM 6531 O O . CYS B 2 178 ? 24.981 -52.647 37.907 1.00 61.61 ? 856 CYS A O 1 ATOM 6532 C CB . CYS B 2 178 ? 26.186 -55.487 38.384 1.00 60.43 ? 856 CYS A CB 1 ATOM 6533 S SG . CYS B 2 178 ? 27.567 -54.324 38.462 1.00 65.76 ? 856 CYS A SG 1 ATOM 6534 N N . VAL B 2 179 ? 23.357 -53.794 38.981 1.00 57.54 ? 857 VAL A N 1 ATOM 6535 C CA . VAL B 2 179 ? 22.794 -52.647 39.678 1.00 61.19 ? 857 VAL A CA 1 ATOM 6536 C C . VAL B 2 179 ? 23.177 -52.750 41.146 1.00 59.62 ? 857 VAL A C 1 ATOM 6537 O O . VAL B 2 179 ? 23.076 -53.826 41.748 1.00 59.74 ? 857 VAL A O 1 ATOM 6538 C CB . VAL B 2 179 ? 21.267 -52.571 39.508 1.00 65.63 ? 857 VAL A CB 1 ATOM 6539 C CG1 . VAL B 2 179 ? 20.926 -52.064 38.129 1.00 70.90 ? 857 VAL A CG1 1 ATOM 6540 C CG2 . VAL B 2 179 ? 20.644 -53.933 39.719 1.00 66.92 ? 857 VAL A CG2 1 ATOM 6541 N N . LYS B 2 180 ? 23.632 -51.639 41.712 1.00 58.26 ? 858 LYS A N 1 ATOM 6542 C CA . LYS B 2 180 ? 23.967 -51.565 43.122 1.00 58.56 ? 858 LYS A CA 1 ATOM 6543 C C . LYS B 2 180 ? 23.208 -50.402 43.740 1.00 58.48 ? 858 LYS A C 1 ATOM 6544 O O . LYS B 2 180 ? 22.839 -49.447 43.054 1.00 59.03 ? 858 LYS A O 1 ATOM 6545 C CB . LYS B 2 180 ? 25.481 -51.413 43.338 1.00 56.99 ? 858 LYS A CB 1 ATOM 6546 C CG . LYS B 2 180 ? 26.099 -50.221 42.646 1.00 59.50 ? 858 LYS A CG 1 ATOM 6547 C CD . LYS B 2 180 ? 27.609 -50.247 42.782 1.00 58.49 ? 858 LYS A CD 1 ATOM 6548 C CE . LYS B 2 180 ? 28.184 -51.556 42.274 1.00 53.41 ? 858 LYS A CE 1 ATOM 6549 N NZ . LYS B 2 180 ? 29.668 -51.485 42.190 1.00 53.07 ? 858 LYS A NZ 1 ATOM 6550 N N . MET B 2 181 ? 22.958 -50.504 45.039 1.00 57.40 ? 859 MET A N 1 ATOM 6551 C CA . MET B 2 181 ? 22.142 -49.541 45.760 1.00 56.07 ? 859 MET A CA 1 ATOM 6552 C C . MET B 2 181 ? 23.018 -48.701 46.679 1.00 64.08 ? 859 MET A C 1 ATOM 6553 O O . MET B 2 181 ? 24.006 -49.194 47.231 1.00 65.85 ? 859 MET A O 1 ATOM 6554 C CB . MET B 2 181 ? 21.065 -50.260 46.566 1.00 52.92 ? 859 MET A CB 1 ATOM 6555 C CG . MET B 2 181 ? 19.950 -49.376 47.044 1.00 55.05 ? 859 MET A CG 1 ATOM 6556 S SD . MET B 2 181 ? 18.784 -50.348 47.999 1.00 63.92 ? 859 MET A SD 1 ATOM 6557 C CE . MET B 2 181 ? 17.357 -49.282 47.909 1.00 62.12 ? 859 MET A CE 1 ATOM 6558 N N . SER B 2 182 ? 22.651 -47.434 46.840 1.00 70.18 ? 860 SER A N 1 ATOM 6559 C CA . SER B 2 182 ? 23.408 -46.506 47.669 1.00 79.08 ? 860 SER A CA 1 ATOM 6560 C C . SER B 2 182 ? 22.892 -46.568 49.100 1.00 85.78 ? 860 SER A C 1 ATOM 6561 O O . SER B 2 182 ? 21.736 -46.220 49.364 1.00 83.90 ? 860 SER A O 1 ATOM 6562 C CB . SER B 2 182 ? 23.298 -45.084 47.126 1.00 86.57 ? 860 SER A CB 1 ATOM 6563 O OG . SER B 2 182 ? 24.080 -44.191 47.896 1.00 93.61 ? 860 SER A OG 1 ATOM 6564 N N . ALA B 2 183 ? 23.753 -46.992 50.021 1.00 95.73 ? 861 ALA A N 1 ATOM 6565 C CA . ALA B 2 183 ? 23.367 -47.152 51.417 1.00 95.67 ? 861 ALA A CA 1 ATOM 6566 C C . ALA B 2 183 ? 23.329 -45.794 52.110 1.00 93.21 ? 861 ALA A C 1 ATOM 6567 O O . ALA B 2 183 ? 24.358 -45.120 52.226 1.00 95.41 ? 861 ALA A O 1 ATOM 6568 C CB . ALA B 2 183 ? 24.337 -48.095 52.127 1.00 95.23 ? 861 ALA A CB 1 ATOM 6569 N N . VAL B 2 184 ? 22.145 -45.392 52.565 1.00 90.27 ? 862 VAL A N 1 ATOM 6570 C CA . VAL B 2 184 ? 21.992 -44.206 53.390 1.00 86.65 ? 862 VAL A CA 1 ATOM 6571 C C . VAL B 2 184 ? 21.871 -44.656 54.842 1.00 84.45 ? 862 VAL A C 1 ATOM 6572 O O . VAL B 2 184 ? 21.525 -45.803 55.137 1.00 82.69 ? 862 VAL A O 1 ATOM 6573 C CB . VAL B 2 184 ? 20.784 -43.345 52.942 1.00 84.91 ? 862 VAL A CB 1 ATOM 6574 C CG1 . VAL B 2 184 ? 19.655 -43.394 53.957 1.00 84.31 ? 862 VAL A CG1 1 ATOM 6575 C CG2 . VAL B 2 184 ? 21.217 -41.910 52.690 1.00 83.91 ? 862 VAL A CG2 1 ATOM 6576 N N . GLU B 2 185 ? 22.182 -43.740 55.767 1.00 86.95 ? 863 GLU A N 1 ATOM 6577 C CA . GLU B 2 185 ? 22.301 -44.108 57.178 1.00 89.57 ? 863 GLU A CA 1 ATOM 6578 C C . GLU B 2 185 ? 20.993 -44.664 57.733 1.00 79.04 ? 863 GLU A C 1 ATOM 6579 O O . GLU B 2 185 ? 20.976 -45.725 58.366 1.00 78.00 ? 863 GLU A O 1 ATOM 6580 C CB . GLU B 2 185 ? 22.755 -42.901 58.000 1.00 102.20 ? 863 GLU A CB 1 ATOM 6581 C CG . GLU B 2 185 ? 22.917 -43.198 59.487 1.00 114.74 ? 863 GLU A CG 1 ATOM 6582 C CD . GLU B 2 185 ? 23.133 -41.947 60.320 1.00 126.26 ? 863 GLU A CD 1 ATOM 6583 O OE1 . GLU B 2 185 ? 23.041 -40.834 59.761 1.00 132.24 ? 863 GLU A OE1 1 ATOM 6584 O OE2 . GLU B 2 185 ? 23.393 -42.078 61.535 1.00 130.21 ? 863 GLU A OE2 1 ATOM 6585 N N . GLY B 2 186 ? 19.884 -43.956 57.514 1.00 72.28 ? 864 GLY A N 1 ATOM 6586 C CA . GLY B 2 186 ? 18.621 -44.379 58.096 1.00 69.52 ? 864 GLY A CA 1 ATOM 6587 C C . GLY B 2 186 ? 18.029 -45.635 57.485 1.00 67.28 ? 864 GLY A C 1 ATOM 6588 O O . GLY B 2 186 ? 17.203 -46.290 58.129 1.00 65.48 ? 864 GLY A O 1 ATOM 6589 N N . ILE B 2 187 ? 18.425 -45.985 56.263 1.00 63.32 ? 865 ILE A N 1 ATOM 6590 C CA . ILE B 2 187 ? 17.838 -47.112 55.544 1.00 54.69 ? 865 ILE A CA 1 ATOM 6591 C C . ILE B 2 187 ? 18.669 -48.354 55.846 1.00 50.56 ? 865 ILE A C 1 ATOM 6592 O O . ILE B 2 187 ? 19.836 -48.441 55.458 1.00 54.92 ? 865 ILE A O 1 ATOM 6593 C CB . ILE B 2 187 ? 17.770 -46.845 54.035 1.00 48.51 ? 865 ILE A CB 1 ATOM 6594 C CG1 . ILE B 2 187 ? 16.930 -45.599 53.729 1.00 36.05 ? 865 ILE A CG1 1 ATOM 6595 C CG2 . ILE B 2 187 ? 17.206 -48.053 53.310 1.00 44.84 ? 865 ILE A CG2 1 ATOM 6596 C CD1 . ILE B 2 187 ? 15.508 -45.681 54.203 1.00 42.24 ? 865 ILE A CD1 1 ATOM 6597 N N . CYS B 2 188 ? 18.061 -49.325 56.523 1.00 49.30 ? 866 CYS A N 1 ATOM 6598 C CA . CYS B 2 188 ? 18.754 -50.538 56.942 1.00 56.81 ? 866 CYS A CA 1 ATOM 6599 C C . CYS B 2 188 ? 18.586 -51.624 55.884 1.00 55.28 ? 866 CYS A C 1 ATOM 6600 O O . CYS B 2 188 ? 17.460 -52.003 55.546 1.00 53.60 ? 866 CYS A O 1 ATOM 6601 C CB . CYS B 2 188 ? 18.225 -51.023 58.292 1.00 62.48 ? 866 CYS A CB 1 ATOM 6602 S SG . CYS B 2 188 ? 19.141 -52.416 59.008 1.00 70.04 ? 866 CYS A SG 1 ATOM 6603 N N . THR B 2 189 ? 19.703 -52.126 55.370 1.00 56.80 ? 867 THR A N 1 ATOM 6604 C CA . THR B 2 189 ? 19.700 -53.188 54.376 1.00 59.75 ? 867 THR A CA 1 ATOM 6605 C C . THR B 2 189 ? 20.306 -54.448 54.974 1.00 67.33 ? 867 THR A C 1 ATOM 6606 O O . THR B 2 189 ? 21.138 -54.385 55.882 1.00 71.68 ? 867 THR A O 1 ATOM 6607 C CB . THR B 2 189 ? 20.476 -52.789 53.114 1.00 50.96 ? 867 THR A CB 1 ATOM 6608 O OG1 . THR B 2 189 ? 21.876 -52.698 53.413 1.00 49.82 ? 867 THR A OG1 1 ATOM 6609 C CG2 . THR B 2 189 ? 19.992 -51.448 52.598 1.00 49.88 ? 867 THR A CG2 1 ATOM 6610 N N . SER B 2 190 ? 19.871 -55.599 54.459 1.00 74.40 ? 868 SER A N 1 ATOM 6611 C CA . SER B 2 190 ? 20.315 -56.868 55.024 1.00 86.23 ? 868 SER A CA 1 ATOM 6612 C C . SER B 2 190 ? 21.805 -57.085 54.795 1.00 98.58 ? 868 SER A C 1 ATOM 6613 O O . SER B 2 190 ? 22.521 -57.520 55.704 1.00 101.02 ? 868 SER A O 1 ATOM 6614 C CB . SER B 2 190 ? 19.506 -58.018 54.433 1.00 88.35 ? 868 SER A CB 1 ATOM 6615 O OG . SER B 2 190 ? 19.931 -59.254 54.978 1.00 91.25 ? 868 SER A OG 1 ATOM 6616 N N . GLU B 2 191 ? 22.291 -56.785 53.595 1.00 110.92 ? 869 GLU A N 1 ATOM 6617 C CA . GLU B 2 191 ? 23.715 -56.867 53.322 1.00 119.65 ? 869 GLU A CA 1 ATOM 6618 C C . GLU B 2 191 ? 24.417 -55.643 53.902 1.00 116.57 ? 869 GLU A C 1 ATOM 6619 O O . GLU B 2 191 ? 23.811 -54.797 54.563 1.00 116.90 ? 869 GLU A O 1 ATOM 6620 C CB . GLU B 2 191 ? 23.957 -57.001 51.818 1.00 128.69 ? 869 GLU A CB 1 ATOM 6621 C CG . GLU B 2 191 ? 23.864 -58.430 51.283 1.00 138.29 ? 869 GLU A CG 1 ATOM 6622 C CD . GLU B 2 191 ? 22.618 -59.177 51.750 1.00 143.48 ? 869 GLU A CD 1 ATOM 6623 O OE1 . GLU B 2 191 ? 21.530 -58.562 51.840 1.00 144.96 ? 869 GLU A OE1 1 ATOM 6624 O OE2 . GLU B 2 191 ? 22.732 -60.390 52.030 1.00 145.44 ? 869 GLU A OE2 1 ATOM 6625 N N . SER B 2 192 ? 25.715 -55.536 53.647 1.00 117.97 ? 870 SER A N 1 ATOM 6626 C CA . SER B 2 192 ? 26.484 -54.439 54.204 1.00 118.79 ? 870 SER A CA 1 ATOM 6627 C C . SER B 2 192 ? 27.303 -53.769 53.114 1.00 122.22 ? 870 SER A C 1 ATOM 6628 O O . SER B 2 192 ? 27.750 -54.429 52.169 1.00 122.60 ? 870 SER A O 1 ATOM 6629 C CB . SER B 2 192 ? 27.411 -54.937 55.322 1.00 115.44 ? 870 SER A CB 1 ATOM 6630 O OG . SER B 2 192 ? 26.670 -55.610 56.325 1.00 112.18 ? 870 SER A OG 1 ATOM 6631 N N . PRO B 2 193 ? 27.515 -52.458 53.219 1.00 124.25 ? 871 PRO A N 1 ATOM 6632 C CA . PRO B 2 193 ? 28.269 -51.750 52.179 1.00 128.32 ? 871 PRO A CA 1 ATOM 6633 C C . PRO B 2 193 ? 29.697 -52.265 52.083 1.00 130.73 ? 871 PRO A C 1 ATOM 6634 O O . PRO B 2 193 ? 30.328 -52.592 53.090 1.00 132.45 ? 871 PRO A O 1 ATOM 6635 C CB . PRO B 2 193 ? 28.223 -50.290 52.644 1.00 129.62 ? 871 PRO A CB 1 ATOM 6636 C CG . PRO B 2 193 ? 27.994 -50.365 54.118 1.00 129.25 ? 871 PRO A CG 1 ATOM 6637 C CD . PRO B 2 193 ? 27.107 -51.561 54.314 1.00 127.07 ? 871 PRO A CD 1 ATOM 6638 N N . VAL B 2 194 ? 30.204 -52.339 50.858 1.00 134.55 ? 872 VAL A N 1 ATOM 6639 C CA . VAL B 2 194 ? 31.559 -52.818 50.615 1.00 136.04 ? 872 VAL A CA 1 ATOM 6640 C C . VAL B 2 194 ? 32.542 -51.660 50.449 1.00 136.16 ? 872 VAL A C 1 ATOM 6641 O O . VAL B 2 194 ? 33.546 -51.594 51.160 1.00 132.68 ? 872 VAL A O 1 ATOM 6642 C CB . VAL B 2 194 ? 31.585 -53.797 49.413 1.00 132.46 ? 872 VAL A CB 1 ATOM 6643 C CG1 . VAL B 2 194 ? 30.548 -54.899 49.613 1.00 128.71 ? 872 VAL A CG1 1 ATOM 6644 C CG2 . VAL B 2 194 ? 31.364 -53.107 48.066 1.00 129.45 ? 872 VAL A CG2 1 ATOM 6645 N N . ILE B 2 195 ? 32.242 -50.714 49.553 1.00 137.32 ? 873 ILE A N 1 ATOM 6646 C CA . ILE B 2 195 ? 33.091 -49.554 49.264 1.00 134.87 ? 873 ILE A CA 1 ATOM 6647 C C . ILE B 2 195 ? 32.437 -48.720 48.154 1.00 134.39 ? 873 ILE A C 1 ATOM 6648 O O . ILE B 2 195 ? 32.741 -48.856 46.964 1.00 135.01 ? 873 ILE A O 1 ATOM 6649 C CB . ILE B 2 195 ? 34.561 -49.969 48.897 1.00 131.48 ? 873 ILE A CB 1 ATOM 6650 C CG1 . ILE B 2 195 ? 35.404 -48.748 48.511 1.00 127.38 ? 873 ILE A CG1 1 ATOM 6651 C CG2 . ILE B 2 195 ? 34.604 -51.071 47.825 1.00 131.19 ? 873 ILE A CG2 1 ATOM 6652 C CD1 . ILE B 2 195 ? 36.829 -49.087 48.140 1.00 124.75 ? 873 ILE A CD1 1 ATOM 6653 N N . LYS B 2 201 ? 30.512 -46.440 49.951 1.00 124.43 ? 879 LYS A N 1 ATOM 6654 C CA . LYS B 2 201 ? 29.729 -47.456 50.646 1.00 126.23 ? 879 LYS A CA 1 ATOM 6655 C C . LYS B 2 201 ? 28.371 -47.654 49.985 1.00 134.18 ? 879 LYS A C 1 ATOM 6656 O O . LYS B 2 201 ? 27.395 -46.995 50.345 1.00 132.98 ? 879 LYS A O 1 ATOM 6657 C CB . LYS B 2 201 ? 29.542 -47.078 52.118 1.00 120.58 ? 879 LYS A CB 1 ATOM 6658 C CG . LYS B 2 201 ? 30.809 -47.179 52.951 1.00 117.26 ? 879 LYS A CG 1 ATOM 6659 C CD . LYS B 2 201 ? 30.502 -47.117 54.442 1.00 112.18 ? 879 LYS A CD 1 ATOM 6660 C CE . LYS B 2 201 ? 31.765 -47.304 55.274 1.00 109.94 ? 879 LYS A CE 1 ATOM 6661 N NZ . LYS B 2 201 ? 31.481 -47.386 56.736 1.00 107.35 ? 879 LYS A NZ 1 ATOM 6662 N N . SER B 2 202 ? 28.306 -48.576 49.023 1.00 142.40 ? 880 SER A N 1 ATOM 6663 C CA . SER B 2 202 ? 27.070 -48.767 48.263 1.00 143.83 ? 880 SER A CA 1 ATOM 6664 C C . SER B 2 202 ? 27.056 -50.189 47.687 1.00 138.80 ? 880 SER A C 1 ATOM 6665 O O . SER B 2 202 ? 27.531 -50.416 46.574 1.00 148.71 ? 880 SER A O 1 ATOM 6666 C CB . SER B 2 202 ? 26.931 -47.727 47.169 1.00 150.38 ? 880 SER A CB 1 ATOM 6667 O OG . SER B 2 202 ? 28.035 -47.769 46.281 1.00 157.06 ? 880 SER A OG 1 ATOM 6668 N N . SER B 2 203 ? 26.518 -51.128 48.468 1.00 123.81 ? 881 SER A N 1 ATOM 6669 C CA . SER B 2 203 ? 26.095 -52.439 47.978 1.00 106.89 ? 881 SER A CA 1 ATOM 6670 C C . SER B 2 203 ? 27.188 -53.211 47.242 1.00 106.03 ? 881 SER A C 1 ATOM 6671 O O . SER B 2 203 ? 28.377 -52.913 47.385 1.00 110.02 ? 881 SER A O 1 ATOM 6672 C CB . SER B 2 203 ? 24.875 -52.271 47.068 1.00 92.03 ? 881 SER A CB 1 ATOM 6673 O OG . SER B 2 203 ? 24.316 -53.517 46.697 1.00 84.19 ? 881 SER A OG 1 ATOM 6674 N N . LYS B 2 204 ? 26.785 -54.206 46.450 1.00 101.57 ? 882 LYS A N 1 ATOM 6675 C CA . LYS B 2 204 ? 27.706 -55.097 45.756 1.00 100.89 ? 882 LYS A CA 1 ATOM 6676 C C . LYS B 2 204 ? 27.231 -55.308 44.322 1.00 104.19 ? 882 LYS A C 1 ATOM 6677 O O . LYS B 2 204 ? 26.033 -55.250 44.035 1.00 104.17 ? 882 LYS A O 1 ATOM 6678 C CB . LYS B 2 204 ? 27.820 -56.444 46.486 1.00 96.90 ? 882 LYS A CB 1 ATOM 6679 C CG . LYS B 2 204 ? 28.886 -57.374 45.943 1.00 97.91 ? 882 LYS A CG 1 ATOM 6680 C CD . LYS B 2 204 ? 30.253 -56.717 45.958 1.00 100.21 ? 882 LYS A CD 1 ATOM 6681 C CE . LYS B 2 204 ? 31.340 -57.708 45.568 1.00 102.51 ? 882 LYS A CE 1 ATOM 6682 N NZ . LYS B 2 204 ? 31.445 -58.848 46.528 1.00 102.99 ? 882 LYS A NZ 1 ATOM 6683 N N . CYS B 2 205 ? 28.184 -55.555 43.422 1.00 109.10 ? 883 CYS A N 1 ATOM 6684 C CA . CYS B 2 205 ? 27.909 -55.727 41.993 1.00 107.93 ? 883 CYS A CA 1 ATOM 6685 C C . CYS B 2 205 ? 27.915 -57.218 41.668 1.00 98.25 ? 883 CYS A C 1 ATOM 6686 O O . CYS B 2 205 ? 28.976 -57.843 41.586 1.00 97.66 ? 883 CYS A O 1 ATOM 6687 C CB . CYS B 2 205 ? 28.930 -54.961 41.155 1.00 119.66 ? 883 CYS A CB 1 ATOM 6688 S SG . CYS B 2 205 ? 29.037 -55.399 39.385 1.00 126.98 ? 883 CYS A SG 1 ATOM 6689 N N . VAL B 2 206 ? 26.724 -57.784 41.486 1.00 88.08 ? 884 VAL A N 1 ATOM 6690 C CA . VAL B 2 206 ? 26.556 -59.169 41.056 1.00 74.02 ? 884 VAL A CA 1 ATOM 6691 C C . VAL B 2 206 ? 26.199 -59.150 39.576 1.00 62.58 ? 884 VAL A C 1 ATOM 6692 O O . VAL B 2 206 ? 25.114 -58.702 39.192 1.00 56.93 ? 884 VAL A O 1 ATOM 6693 C CB . VAL B 2 206 ? 25.488 -59.899 41.880 1.00 68.45 ? 884 VAL A CB 1 ATOM 6694 C CG1 . VAL B 2 206 ? 26.085 -60.402 43.180 1.00 68.43 ? 884 VAL A CG1 1 ATOM 6695 C CG2 . VAL B 2 206 ? 24.305 -58.979 42.153 1.00 66.26 ? 884 VAL A CG2 1 ATOM 6696 N N . ARG B 2 207 ? 27.104 -59.651 38.744 1.00 61.77 ? 885 ARG A N 1 ATOM 6697 C CA . ARG B 2 207 ? 26.960 -59.514 37.300 1.00 60.83 ? 885 ARG A CA 1 ATOM 6698 C C . ARG B 2 207 ? 25.875 -60.448 36.778 1.00 58.20 ? 885 ARG A C 1 ATOM 6699 O O . ARG B 2 207 ? 25.941 -61.665 36.972 1.00 63.02 ? 885 ARG A O 1 ATOM 6700 C CB . ARG B 2 207 ? 28.298 -59.787 36.618 1.00 52.83 ? 885 ARG A CB 1 ATOM 6701 C CG . ARG B 2 207 ? 29.386 -58.828 37.073 1.00 53.14 ? 885 ARG A CG 1 ATOM 6702 C CD . ARG B 2 207 ? 30.688 -59.040 36.338 1.00 54.73 ? 885 ARG A CD 1 ATOM 6703 N NE . ARG B 2 207 ? 31.779 -58.317 36.982 1.00 55.20 ? 885 ARG A NE 1 ATOM 6704 C CZ . ARG B 2 207 ? 33.061 -58.479 36.675 1.00 66.37 ? 885 ARG A CZ 1 ATOM 6705 N NH1 . ARG B 2 207 ? 33.414 -59.342 35.730 1.00 65.46 ? 885 ARG A NH1 1 ATOM 6706 N NH2 . ARG B 2 207 ? 33.991 -57.781 37.311 1.00 66.85 ? 885 ARG A NH2 1 ATOM 6707 N N . GLN B 2 208 ? 24.870 -59.869 36.132 1.00 54.62 ? 886 GLN A N 1 ATOM 6708 C CA . GLN B 2 208 ? 23.796 -60.595 35.473 1.00 56.99 ? 886 GLN A CA 1 ATOM 6709 C C . GLN B 2 208 ? 23.815 -60.263 33.985 1.00 60.15 ? 886 GLN A C 1 ATOM 6710 O O . GLN B 2 208 ? 24.577 -59.409 33.525 1.00 59.42 ? 886 GLN A O 1 ATOM 6711 C CB . GLN B 2 208 ? 22.435 -60.246 36.089 1.00 58.51 ? 886 GLN A CB 1 ATOM 6712 C CG . GLN B 2 208 ? 22.380 -60.421 37.600 1.00 65.19 ? 886 GLN A CG 1 ATOM 6713 C CD . GLN B 2 208 ? 21.334 -59.540 38.258 1.00 67.00 ? 886 GLN A CD 1 ATOM 6714 O OE1 . GLN B 2 208 ? 20.179 -59.937 38.414 1.00 67.56 ? 886 GLN A OE1 1 ATOM 6715 N NE2 . GLN B 2 208 ? 21.737 -58.336 38.652 1.00 67.88 ? 886 GLN A NE2 1 ATOM 6716 N N . LYS B 2 209 ? 22.966 -60.949 33.223 1.00 61.42 ? 887 LYS A N 1 ATOM 6717 C CA . LYS B 2 209 ? 22.904 -60.762 31.780 1.00 61.06 ? 887 LYS A CA 1 ATOM 6718 C C . LYS B 2 209 ? 21.465 -60.520 31.350 1.00 59.96 ? 887 LYS A C 1 ATOM 6719 O O . LYS B 2 209 ? 20.570 -61.291 31.708 1.00 58.67 ? 887 LYS A O 1 ATOM 6720 C CB . LYS B 2 209 ? 23.476 -61.974 31.040 1.00 64.13 ? 887 LYS A CB 1 ATOM 6721 C CG . LYS B 2 209 ? 23.459 -61.824 29.526 1.00 71.81 ? 887 LYS A CG 1 ATOM 6722 C CD . LYS B 2 209 ? 24.104 -63.011 28.833 1.00 77.91 ? 887 LYS A CD 1 ATOM 6723 C CE . LYS B 2 209 ? 24.067 -62.855 27.322 1.00 81.35 ? 887 LYS A CE 1 ATOM 6724 N NZ . LYS B 2 209 ? 24.714 -64.007 26.635 1.00 84.58 ? 887 LYS A NZ 1 ATOM 6725 N N . VAL B 2 210 ? 21.250 -59.446 30.587 1.00 59.09 ? 888 VAL A N 1 ATOM 6726 C CA . VAL B 2 210 ? 19.982 -59.213 29.910 1.00 59.77 ? 888 VAL A CA 1 ATOM 6727 C C . VAL B 2 210 ? 20.069 -59.782 28.505 1.00 65.03 ? 888 VAL A C 1 ATOM 6728 O O . VAL B 2 210 ? 21.076 -59.598 27.805 1.00 65.56 ? 888 VAL A O 1 ATOM 6729 C CB . VAL B 2 210 ? 19.638 -57.716 29.863 1.00 55.86 ? 888 VAL A CB 1 ATOM 6730 C CG1 . VAL B 2 210 ? 18.203 -57.534 29.408 1.00 54.53 ? 888 VAL A CG1 1 ATOM 6731 C CG2 . VAL B 2 210 ? 19.828 -57.097 31.208 1.00 64.10 ? 888 VAL A CG2 1 ATOM 6732 N N . GLU B 2 211 ? 19.015 -60.474 28.086 1.00 65.63 ? 889 GLU A N 1 ATOM 6733 C CA . GLU B 2 211 ? 18.962 -60.960 26.720 1.00 66.56 ? 889 GLU A CA 1 ATOM 6734 C C . GLU B 2 211 ? 18.677 -59.802 25.768 1.00 60.14 ? 889 GLU A C 1 ATOM 6735 O O . GLU B 2 211 ? 18.144 -58.758 26.156 1.00 53.60 ? 889 GLU A O 1 ATOM 6736 C CB . GLU B 2 211 ? 17.902 -62.051 26.575 1.00 72.14 ? 889 GLU A CB 1 ATOM 6737 C CG . GLU B 2 211 ? 18.374 -63.257 25.773 1.00 79.84 ? 889 GLU A CG 1 ATOM 6738 C CD . GLU B 2 211 ? 19.549 -63.966 26.422 1.00 84.21 ? 889 GLU A CD 1 ATOM 6739 O OE1 . GLU B 2 211 ? 19.650 -63.940 27.667 1.00 81.18 ? 889 GLU A OE1 1 ATOM 6740 O OE2 . GLU B 2 211 ? 20.376 -64.547 25.689 1.00 90.07 ? 889 GLU A OE2 1 ATOM 6741 N N . GLY B 2 212 ? 19.063 -59.991 24.508 1.00 60.81 ? 890 GLY A N 1 ATOM 6742 C CA . GLY B 2 212 ? 18.883 -58.933 23.529 1.00 51.58 ? 890 GLY A CA 1 ATOM 6743 C C . GLY B 2 212 ? 17.416 -58.585 23.346 1.00 60.50 ? 890 GLY A C 1 ATOM 6744 O O . GLY B 2 212 ? 16.548 -59.460 23.299 1.00 61.12 ? 890 GLY A O 1 ATOM 6745 N N . SER B 2 213 ? 17.143 -57.284 23.250 1.00 61.16 ? 891 SER A N 1 ATOM 6746 C CA . SER B 2 213 ? 15.800 -56.764 23.002 1.00 65.89 ? 891 SER A CA 1 ATOM 6747 C C . SER B 2 213 ? 14.807 -57.303 24.031 1.00 68.32 ? 891 SER A C 1 ATOM 6748 O O . SER B 2 213 ? 13.807 -57.942 23.699 1.00 69.17 ? 891 SER A O 1 ATOM 6749 C CB . SER B 2 213 ? 15.343 -57.086 21.574 1.00 66.15 ? 891 SER A CB 1 ATOM 6750 O OG . SER B 2 213 ? 16.208 -56.506 20.611 1.00 67.81 ? 891 SER A OG 1 ATOM 6751 N N . SER B 2 214 ? 15.116 -57.046 25.301 1.00 71.85 ? 892 SER A N 1 ATOM 6752 C CA . SER B 2 214 ? 14.212 -57.440 26.379 1.00 70.20 ? 892 SER A CA 1 ATOM 6753 C C . SER B 2 214 ? 14.570 -56.632 27.628 1.00 68.90 ? 892 SER A C 1 ATOM 6754 O O . SER B 2 214 ? 15.037 -55.494 27.521 1.00 66.93 ? 892 SER A O 1 ATOM 6755 C CB . SER B 2 214 ? 14.279 -58.968 26.583 1.00 71.07 ? 892 SER A CB 1 ATOM 6756 O OG . SER B 2 214 ? 15.575 -59.374 26.977 1.00 76.96 ? 892 SER A OG 1 ATOM 6757 N N . SER B 2 215 ? 14.359 -57.228 28.800 1.00 64.45 ? 893 SER A N 1 ATOM 6758 C CA . SER B 2 215 ? 14.559 -56.541 30.064 1.00 60.23 ? 893 SER A CA 1 ATOM 6759 C C . SER B 2 215 ? 14.939 -57.559 31.127 1.00 57.76 ? 893 SER A C 1 ATOM 6760 O O . SER B 2 215 ? 14.912 -58.770 30.900 1.00 58.51 ? 893 SER A O 1 ATOM 6761 C CB . SER B 2 215 ? 13.303 -55.779 30.485 1.00 59.35 ? 893 SER A CB 1 ATOM 6762 O OG . SER B 2 215 ? 12.211 -56.667 30.631 1.00 60.43 ? 893 SER A OG 1 ATOM 6763 N N . HIS B 2 216 ? 15.279 -57.049 32.306 1.00 57.21 ? 894 HIS A N 1 ATOM 6764 C CA . HIS B 2 216 ? 15.636 -57.899 33.433 1.00 52.19 ? 894 HIS A CA 1 ATOM 6765 C C . HIS B 2 216 ? 15.139 -57.238 34.709 1.00 52.12 ? 894 HIS A C 1 ATOM 6766 O O . HIS B 2 216 ? 15.200 -56.012 34.844 1.00 55.56 ? 894 HIS A O 1 ATOM 6767 C CB . HIS B 2 216 ? 17.149 -58.133 33.483 1.00 51.28 ? 894 HIS A CB 1 ATOM 6768 C CG . HIS B 2 216 ? 17.571 -59.212 34.426 1.00 53.17 ? 894 HIS A CG 1 ATOM 6769 N ND1 . HIS B 2 216 ? 17.412 -59.112 35.791 1.00 53.38 ? 894 HIS A ND1 1 ATOM 6770 C CD2 . HIS B 2 216 ? 18.171 -60.405 34.202 1.00 54.77 ? 894 HIS A CD2 1 ATOM 6771 C CE1 . HIS B 2 216 ? 17.884 -60.204 36.367 1.00 58.45 ? 894 HIS A CE1 1 ATOM 6772 N NE2 . HIS B 2 216 ? 18.352 -61.004 35.425 1.00 56.48 ? 894 HIS A NE2 1 ATOM 6773 N N . LEU B 2 217 ? 14.638 -58.053 35.633 1.00 51.21 ? 895 LEU A N 1 ATOM 6774 C CA . LEU B 2 217 ? 14.049 -57.533 36.858 1.00 50.37 ? 895 LEU A CA 1 ATOM 6775 C C . LEU B 2 217 ? 15.125 -57.148 37.865 1.00 46.63 ? 895 LEU A C 1 ATOM 6776 O O . LEU B 2 217 ? 16.233 -57.689 37.867 1.00 42.43 ? 895 LEU A O 1 ATOM 6777 C CB . LEU B 2 217 ? 13.101 -58.555 37.484 1.00 58.92 ? 895 LEU A CB 1 ATOM 6778 C CG . LEU B 2 217 ? 11.658 -58.581 36.972 1.00 69.57 ? 895 LEU A CG 1 ATOM 6779 C CD1 . LEU B 2 217 ? 11.572 -59.028 35.510 1.00 76.88 ? 895 LEU A CD1 1 ATOM 6780 C CD2 . LEU B 2 217 ? 10.797 -59.461 37.871 1.00 72.18 ? 895 LEU A CD2 1 ATOM 6781 N N . VAL B 2 218 ? 14.780 -56.192 38.723 1.00 46.01 ? 896 VAL A N 1 ATOM 6782 C CA . VAL B 2 218 ? 15.655 -55.683 39.770 1.00 49.17 ? 896 VAL A CA 1 ATOM 6783 C C . VAL B 2 218 ? 14.850 -55.634 41.061 1.00 48.92 ? 896 VAL A C 1 ATOM 6784 O O . VAL B 2 218 ? 13.684 -55.226 41.056 1.00 42.55 ? 896 VAL A O 1 ATOM 6785 C CB . VAL B 2 218 ? 16.209 -54.285 39.412 1.00 50.38 ? 896 VAL A CB 1 ATOM 6786 C CG1 . VAL B 2 218 ? 17.021 -53.715 40.555 1.00 54.63 ? 896 VAL A CG1 1 ATOM 6787 C CG2 . VAL B 2 218 ? 17.056 -54.355 38.167 1.00 49.62 ? 896 VAL A CG2 1 ATOM 6788 N N . THR B 2 219 ? 15.463 -56.064 42.165 1.00 51.56 ? 897 THR A N 1 ATOM 6789 C CA . THR B 2 219 ? 14.816 -56.036 43.472 1.00 47.02 ? 897 THR A CA 1 ATOM 6790 C C . THR B 2 219 ? 15.820 -55.624 44.538 1.00 42.23 ? 897 THR A C 1 ATOM 6791 O O . THR B 2 219 ? 16.963 -56.085 44.536 1.00 41.83 ? 897 THR A O 1 ATOM 6792 C CB . THR B 2 219 ? 14.217 -57.400 43.837 1.00 47.40 ? 897 THR A CB 1 ATOM 6793 O OG1 . THR B 2 219 ? 15.181 -58.427 43.580 1.00 51.77 ? 897 THR A OG1 1 ATOM 6794 C CG2 . THR B 2 219 ? 12.962 -57.677 43.028 1.00 44.80 ? 897 THR A CG2 1 ATOM 6795 N N . PHE B 2 220 ? 15.386 -54.762 45.452 1.00 42.38 ? 898 PHE A N 1 ATOM 6796 C CA . PHE B 2 220 ? 16.211 -54.369 46.587 1.00 41.10 ? 898 PHE A CA 1 ATOM 6797 C C . PHE B 2 220 ? 15.338 -54.313 47.829 1.00 45.02 ? 898 PHE A C 1 ATOM 6798 O O . PHE B 2 220 ? 14.413 -53.503 47.893 1.00 50.47 ? 898 PHE A O 1 ATOM 6799 C CB . PHE B 2 220 ? 16.875 -53.013 46.349 1.00 38.73 ? 898 PHE A CB 1 ATOM 6800 C CG . PHE B 2 220 ? 18.031 -53.061 45.400 1.00 43.94 ? 898 PHE A CG 1 ATOM 6801 C CD1 . PHE B 2 220 ? 19.232 -53.628 45.786 1.00 40.56 ? 898 PHE A CD1 1 ATOM 6802 C CD2 . PHE B 2 220 ? 17.927 -52.520 44.127 1.00 45.29 ? 898 PHE A CD2 1 ATOM 6803 C CE1 . PHE B 2 220 ? 20.304 -53.667 44.920 1.00 52.80 ? 898 PHE A CE1 1 ATOM 6804 C CE2 . PHE B 2 220 ? 18.998 -52.556 43.258 1.00 40.32 ? 898 PHE A CE2 1 ATOM 6805 C CZ . PHE B 2 220 ? 20.189 -53.131 43.654 1.00 52.59 ? 898 PHE A CZ 1 ATOM 6806 N N . THR B 2 221 ? 15.632 -55.154 48.814 1.00 42.02 ? 899 THR A N 1 ATOM 6807 C CA . THR B 2 221 ? 14.905 -55.134 50.077 1.00 41.01 ? 899 THR A CA 1 ATOM 6808 C C . THR B 2 221 ? 15.563 -54.157 51.047 1.00 44.98 ? 899 THR A C 1 ATOM 6809 O O . THR B 2 221 ? 16.763 -54.262 51.321 1.00 47.60 ? 899 THR A O 1 ATOM 6810 C CB . THR B 2 221 ? 14.852 -56.530 50.697 1.00 39.05 ? 899 THR A CB 1 ATOM 6811 O OG1 . THR B 2 221 ? 13.992 -57.367 49.917 1.00 39.07 ? 899 THR A OG1 1 ATOM 6812 C CG2 . THR B 2 221 ? 14.319 -56.457 52.123 1.00 38.75 ? 899 THR A CG2 1 ATOM 6813 N N . VAL B 2 222 ? 14.775 -53.213 51.567 1.00 37.38 ? 900 VAL A N 1 ATOM 6814 C CA . VAL B 2 222 ? 15.254 -52.242 52.545 1.00 44.45 ? 900 VAL A CA 1 ATOM 6815 C C . VAL B 2 222 ? 14.258 -52.148 53.695 1.00 43.40 ? 900 VAL A C 1 ATOM 6816 O O . VAL B 2 222 ? 13.127 -52.620 53.610 1.00 36.34 ? 900 VAL A O 1 ATOM 6817 C CB . VAL B 2 222 ? 15.487 -50.850 51.928 1.00 45.07 ? 900 VAL A CB 1 ATOM 6818 C CG1 . VAL B 2 222 ? 16.539 -50.927 50.850 1.00 37.43 ? 900 VAL A CG1 1 ATOM 6819 C CG2 . VAL B 2 222 ? 14.186 -50.271 51.393 1.00 35.83 ? 900 VAL A CG2 1 ATOM 6820 N N . LEU B 2 223 ? 14.698 -51.518 54.783 1.00 41.79 ? 901 LEU A N 1 ATOM 6821 C CA . LEU B 2 223 ? 13.876 -51.355 55.981 1.00 39.31 ? 901 LEU A CA 1 ATOM 6822 C C . LEU B 2 223 ? 14.195 -49.998 56.597 1.00 38.75 ? 901 LEU A C 1 ATOM 6823 O O . LEU B 2 223 ? 15.232 -49.838 57.262 1.00 41.67 ? 901 LEU A O 1 ATOM 6824 C CB . LEU B 2 223 ? 14.117 -52.487 56.978 1.00 41.93 ? 901 LEU A CB 1 ATOM 6825 C CG . LEU B 2 223 ? 13.021 -52.804 58.005 1.00 44.35 ? 901 LEU A CG 1 ATOM 6826 C CD1 . LEU B 2 223 ? 13.269 -54.161 58.632 1.00 44.93 ? 901 LEU A CD1 1 ATOM 6827 C CD2 . LEU B 2 223 ? 12.931 -51.749 59.094 1.00 42.17 ? 901 LEU A CD2 1 ATOM 6828 N N . PRO B 2 224 ? 13.332 -49.002 56.402 1.00 35.28 ? 902 PRO A N 1 ATOM 6829 C CA . PRO B 2 224 ? 13.618 -47.663 56.935 1.00 39.77 ? 902 PRO A CA 1 ATOM 6830 C C . PRO B 2 224 ? 13.488 -47.636 58.451 1.00 43.91 ? 902 PRO A C 1 ATOM 6831 O O . PRO B 2 224 ? 12.468 -48.045 59.009 1.00 46.08 ? 902 PRO A O 1 ATOM 6832 C CB . PRO B 2 224 ? 12.557 -46.776 56.269 1.00 37.42 ? 902 PRO A CB 1 ATOM 6833 C CG . PRO B 2 224 ? 11.960 -47.611 55.170 1.00 38.94 ? 902 PRO A CG 1 ATOM 6834 C CD . PRO B 2 224 ? 12.088 -49.028 55.620 1.00 37.69 ? 902 PRO A CD 1 ATOM 6835 N N . LEU B 2 225 ? 14.530 -47.142 59.116 1.00 45.61 ? 903 LEU A N 1 ATOM 6836 C CA . LEU B 2 225 ? 14.490 -46.977 60.561 1.00 45.82 ? 903 LEU A CA 1 ATOM 6837 C C . LEU B 2 225 ? 14.171 -45.555 60.993 1.00 50.08 ? 903 LEU A C 1 ATOM 6838 O O . LEU B 2 225 ? 13.801 -45.348 62.154 1.00 54.38 ? 903 LEU A O 1 ATOM 6839 C CB . LEU B 2 225 ? 15.825 -47.396 61.184 1.00 37.05 ? 903 LEU A CB 1 ATOM 6840 C CG . LEU B 2 225 ? 16.226 -48.858 60.998 1.00 43.87 ? 903 LEU A CG 1 ATOM 6841 C CD1 . LEU B 2 225 ? 17.663 -49.056 61.428 1.00 38.78 ? 903 LEU A CD1 1 ATOM 6842 C CD2 . LEU B 2 225 ? 15.301 -49.774 61.780 1.00 43.09 ? 903 LEU A CD2 1 ATOM 6843 N N . GLU B 2 226 ? 14.299 -44.579 60.098 1.00 47.77 ? 904 GLU A N 1 ATOM 6844 C CA . GLU B 2 226 ? 14.100 -43.179 60.436 1.00 48.66 ? 904 GLU A CA 1 ATOM 6845 C C . GLU B 2 226 ? 13.029 -42.566 59.546 1.00 48.09 ? 904 GLU A C 1 ATOM 6846 O O . GLU B 2 226 ? 12.885 -42.924 58.373 1.00 51.16 ? 904 GLU A O 1 ATOM 6847 C CB . GLU B 2 226 ? 15.404 -42.383 60.307 1.00 52.42 ? 904 GLU A CB 1 ATOM 6848 C CG . GLU B 2 226 ? 16.554 -42.943 61.132 1.00 62.48 ? 904 GLU A CG 1 ATOM 6849 C CD . GLU B 2 226 ? 17.847 -42.175 60.936 1.00 73.25 ? 904 GLU A CD 1 ATOM 6850 O OE1 . GLU B 2 226 ? 17.789 -41.027 60.445 1.00 76.10 ? 904 GLU A OE1 1 ATOM 6851 O OE2 . GLU B 2 226 ? 18.921 -42.719 61.271 1.00 76.70 ? 904 GLU A OE2 1 ATOM 6852 N N . ILE B 2 227 ? 12.293 -41.634 60.118 1.00 44.85 ? 905 ILE A N 1 ATOM 6853 C CA . ILE B 2 227 ? 11.176 -40.970 59.456 1.00 43.47 ? 905 ILE A CA 1 ATOM 6854 C C . ILE B 2 227 ? 11.708 -39.799 58.641 1.00 47.37 ? 905 ILE A C 1 ATOM 6855 O O . ILE B 2 227 ? 12.682 -39.149 59.032 1.00 51.62 ? 905 ILE A O 1 ATOM 6856 C CB . ILE B 2 227 ? 10.142 -40.524 60.509 1.00 38.84 ? 905 ILE A CB 1 ATOM 6857 C CG1 . ILE B 2 227 ? 9.620 -41.747 61.266 1.00 41.24 ? 905 ILE A CG1 1 ATOM 6858 C CG2 . ILE B 2 227 ? 8.993 -39.782 59.870 1.00 36.22 ? 905 ILE A CG2 1 ATOM 6859 C CD1 . ILE B 2 227 ? 8.775 -41.403 62.462 1.00 44.41 ? 905 ILE A CD1 1 ATOM 6860 N N . GLY B 2 228 ? 11.096 -39.542 57.492 1.00 46.98 ? 906 GLY A N 1 ATOM 6861 C CA . GLY B 2 228 ? 11.456 -38.418 56.646 1.00 49.40 ? 906 GLY A CA 1 ATOM 6862 C C . GLY B 2 228 ? 11.802 -38.863 55.236 1.00 47.30 ? 906 GLY A C 1 ATOM 6863 O O . GLY B 2 228 ? 11.662 -40.028 54.866 1.00 49.76 ? 906 GLY A O 1 ATOM 6864 N N . LEU B 2 229 ? 12.259 -37.900 54.443 1.00 45.05 ? 907 LEU A N 1 ATOM 6865 C CA . LEU B 2 229 ? 12.657 -38.160 53.064 1.00 46.22 ? 907 LEU A CA 1 ATOM 6866 C C . LEU B 2 229 ? 14.139 -38.506 53.025 1.00 48.03 ? 907 LEU A C 1 ATOM 6867 O O . LEU B 2 229 ? 14.976 -37.716 53.471 1.00 50.57 ? 907 LEU A O 1 ATOM 6868 C CB . LEU B 2 229 ? 12.362 -36.952 52.179 1.00 43.54 ? 907 LEU A CB 1 ATOM 6869 C CG . LEU B 2 229 ? 10.962 -36.916 51.572 1.00 50.38 ? 907 LEU A CG 1 ATOM 6870 C CD1 . LEU B 2 229 ? 9.881 -36.700 52.630 1.00 51.33 ? 907 LEU A CD1 1 ATOM 6871 C CD2 . LEU B 2 229 ? 10.909 -35.839 50.507 1.00 53.82 ? 907 LEU A CD2 1 ATOM 6872 N N . HIS B 2 230 ? 14.459 -39.686 52.496 1.00 48.48 ? 908 HIS A N 1 ATOM 6873 C CA . HIS B 2 230 ? 15.829 -40.178 52.438 1.00 52.66 ? 908 HIS A CA 1 ATOM 6874 C C . HIS B 2 230 ? 16.220 -40.422 50.990 1.00 56.20 ? 908 HIS A C 1 ATOM 6875 O O . HIS B 2 230 ? 15.501 -41.106 50.255 1.00 58.52 ? 908 HIS A O 1 ATOM 6876 C CB . HIS B 2 230 ? 15.988 -41.465 53.251 1.00 52.72 ? 908 HIS A CB 1 ATOM 6877 C CG . HIS B 2 230 ? 15.592 -41.323 54.687 1.00 54.33 ? 908 HIS A CG 1 ATOM 6878 N ND1 . HIS B 2 230 ? 14.280 -41.185 55.086 1.00 54.54 ? 908 HIS A ND1 1 ATOM 6879 C CD2 . HIS B 2 230 ? 16.333 -41.300 55.820 1.00 59.33 ? 908 HIS A CD2 1 ATOM 6880 C CE1 . HIS B 2 230 ? 14.231 -41.081 56.401 1.00 58.36 ? 908 HIS A CE1 1 ATOM 6881 N NE2 . HIS B 2 230 ? 15.463 -41.149 56.871 1.00 61.95 ? 908 HIS A NE2 1 ATOM 6882 N N . ASN B 2 231 ? 17.360 -39.870 50.583 1.00 55.65 ? 909 ASN A N 1 ATOM 6883 C CA . ASN B 2 231 ? 17.853 -40.072 49.229 1.00 52.24 ? 909 ASN A CA 1 ATOM 6884 C C . ASN B 2 231 ? 18.443 -41.469 49.091 1.00 50.85 ? 909 ASN A C 1 ATOM 6885 O O . ASN B 2 231 ? 19.244 -41.900 49.927 1.00 48.83 ? 909 ASN A O 1 ATOM 6886 C CB . ASN B 2 231 ? 18.907 -39.023 48.876 1.00 54.16 ? 909 ASN A CB 1 ATOM 6887 C CG . ASN B 2 231 ? 19.738 -39.415 47.658 1.00 62.89 ? 909 ASN A CG 1 ATOM 6888 O OD1 . ASN B 2 231 ? 20.948 -39.625 47.753 1.00 63.44 ? 909 ASN A OD1 1 ATOM 6889 N ND2 . ASN B 2 231 ? 19.081 -39.528 46.508 1.00 64.43 ? 909 ASN A ND2 1 ATOM 6890 N N . ILE B 2 232 ? 18.042 -42.178 48.037 1.00 52.92 ? 910 ILE A N 1 ATOM 6891 C CA . ILE B 2 232 ? 18.636 -43.462 47.681 1.00 54.33 ? 910 ILE A CA 1 ATOM 6892 C C . ILE B 2 232 ? 19.017 -43.424 46.208 1.00 54.90 ? 910 ILE A C 1 ATOM 6893 O O . ILE B 2 232 ? 18.197 -43.053 45.361 1.00 50.62 ? 910 ILE A O 1 ATOM 6894 C CB . ILE B 2 232 ? 17.686 -44.642 47.951 1.00 49.07 ? 910 ILE A CB 1 ATOM 6895 C CG1 . ILE B 2 232 ? 17.140 -44.581 49.372 1.00 52.32 ? 910 ILE A CG1 1 ATOM 6896 C CG2 . ILE B 2 232 ? 18.417 -45.948 47.723 1.00 43.97 ? 910 ILE A CG2 1 ATOM 6897 C CD1 . ILE B 2 232 ? 16.268 -45.755 49.728 1.00 56.66 ? 910 ILE A CD1 1 ATOM 6898 N N . ASN B 2 233 ? 20.249 -43.821 45.902 1.00 58.50 ? 911 ASN A N 1 ATOM 6899 C CA . ASN B 2 233 ? 20.740 -43.864 44.534 1.00 57.30 ? 911 ASN A CA 1 ATOM 6900 C C . ASN B 2 233 ? 20.806 -45.302 44.039 1.00 52.66 ? 911 ASN A C 1 ATOM 6901 O O . ASN B 2 233 ? 21.011 -46.236 44.819 1.00 53.10 ? 911 ASN A O 1 ATOM 6902 C CB . ASN B 2 233 ? 22.126 -43.224 44.419 1.00 59.77 ? 911 ASN A CB 1 ATOM 6903 C CG . ASN B 2 233 ? 22.098 -41.725 44.624 1.00 64.41 ? 911 ASN A CG 1 ATOM 6904 O OD1 . ASN B 2 233 ? 21.065 -41.079 44.458 1.00 59.99 ? 911 ASN A OD1 1 ATOM 6905 N ND2 . ASN B 2 233 ? 23.244 -41.163 44.982 1.00 75.62 ? 911 ASN A ND2 1 ATOM 6906 N N . PHE B 2 234 ? 20.642 -45.471 42.728 1.00 50.41 ? 912 PHE A N 1 ATOM 6907 C CA . PHE B 2 234 ? 20.732 -46.778 42.085 1.00 45.98 ? 912 PHE A CA 1 ATOM 6908 C C . PHE B 2 234 ? 21.691 -46.683 40.912 1.00 48.33 ? 912 PHE A C 1 ATOM 6909 O O . PHE B 2 234 ? 21.475 -45.888 39.995 1.00 53.63 ? 912 PHE A O 1 ATOM 6910 C CB . PHE B 2 234 ? 19.357 -47.261 41.619 1.00 43.87 ? 912 PHE A CB 1 ATOM 6911 C CG . PHE B 2 234 ? 18.379 -47.449 42.737 1.00 46.02 ? 912 PHE A CG 1 ATOM 6912 C CD1 . PHE B 2 234 ? 18.355 -48.629 43.462 1.00 43.69 ? 912 PHE A CD1 1 ATOM 6913 C CD2 . PHE B 2 234 ? 17.495 -46.440 43.077 1.00 45.44 ? 912 PHE A CD2 1 ATOM 6914 C CE1 . PHE B 2 234 ? 17.460 -48.803 44.496 1.00 38.30 ? 912 PHE A CE1 1 ATOM 6915 C CE2 . PHE B 2 234 ? 16.597 -46.610 44.113 1.00 45.59 ? 912 PHE A CE2 1 ATOM 6916 C CZ . PHE B 2 234 ? 16.580 -47.792 44.824 1.00 39.71 ? 912 PHE A CZ 1 ATOM 6917 N N . SER B 2 235 ? 22.736 -47.498 40.931 1.00 48.46 ? 913 SER A N 1 ATOM 6918 C CA . SER B 2 235 ? 23.754 -47.492 39.893 1.00 48.41 ? 913 SER A CA 1 ATOM 6919 C C . SER B 2 235 ? 23.572 -48.694 38.973 1.00 54.46 ? 913 SER A C 1 ATOM 6920 O O . SER B 2 235 ? 23.507 -49.836 39.439 1.00 59.78 ? 913 SER A O 1 ATOM 6921 C CB . SER B 2 235 ? 25.148 -47.508 40.519 1.00 53.20 ? 913 SER A CB 1 ATOM 6922 O OG . SER B 2 235 ? 26.141 -47.787 39.551 1.00 63.42 ? 913 SER A OG 1 ATOM 6923 N N . LEU B 2 236 ? 23.488 -48.431 37.669 1.00 52.65 ? 914 LEU A N 1 ATOM 6924 C CA . LEU B 2 236 ? 23.480 -49.465 36.639 1.00 50.27 ? 914 LEU A CA 1 ATOM 6925 C C . LEU B 2 236 ? 24.819 -49.442 35.914 1.00 45.49 ? 914 LEU A C 1 ATOM 6926 O O . LEU B 2 236 ? 25.168 -48.438 35.287 1.00 62.15 ? 914 LEU A O 1 ATOM 6927 C CB . LEU B 2 236 ? 22.338 -49.252 35.647 1.00 46.23 ? 914 LEU A CB 1 ATOM 6928 C CG . LEU B 2 236 ? 22.451 -50.035 34.336 1.00 44.37 ? 914 LEU A CG 1 ATOM 6929 C CD1 . LEU B 2 236 ? 22.444 -51.520 34.600 1.00 46.87 ? 914 LEU A CD1 1 ATOM 6930 C CD2 . LEU B 2 236 ? 21.313 -49.669 33.418 1.00 43.75 ? 914 LEU A CD2 1 ATOM 6931 N N . GLU B 2 237 ? 25.563 -50.540 35.997 1.00 46.46 ? 915 GLU A N 1 ATOM 6932 C CA . GLU B 2 237 ? 26.888 -50.624 35.404 1.00 56.33 ? 915 GLU A CA 1 ATOM 6933 C C . GLU B 2 237 ? 26.899 -51.678 34.307 1.00 59.56 ? 915 GLU A C 1 ATOM 6934 O O . GLU B 2 237 ? 26.328 -52.764 34.458 1.00 60.71 ? 915 GLU A O 1 ATOM 6935 C CB . GLU B 2 237 ? 27.961 -50.951 36.455 1.00 60.42 ? 915 GLU A CB 1 ATOM 6936 C CG . GLU B 2 237 ? 28.060 -49.936 37.589 1.00 66.70 ? 915 GLU A CG 1 ATOM 6937 C CD . GLU B 2 237 ? 29.198 -50.227 38.559 1.00 72.54 ? 915 GLU A CD 1 ATOM 6938 O OE1 . GLU B 2 237 ? 30.172 -50.904 38.164 1.00 76.33 ? 915 GLU A OE1 1 ATOM 6939 O OE2 . GLU B 2 237 ? 29.116 -49.772 39.720 1.00 71.54 ? 915 GLU A OE2 1 ATOM 6940 N N . THR B 2 238 ? 27.552 -51.342 33.201 1.00 60.09 ? 916 THR A N 1 ATOM 6941 C CA . THR B 2 238 ? 27.694 -52.243 32.073 1.00 59.64 ? 916 THR A CA 1 ATOM 6942 C C . THR B 2 238 ? 29.062 -52.022 31.451 1.00 51.99 ? 916 THR A C 1 ATOM 6943 O O . THR B 2 238 ? 29.716 -51.003 31.687 1.00 67.61 ? 916 THR A O 1 ATOM 6944 C CB . THR B 2 238 ? 26.594 -52.028 31.024 1.00 57.94 ? 916 THR A CB 1 ATOM 6945 O OG1 . THR B 2 238 ? 26.993 -52.637 29.793 1.00 66.73 ? 916 THR A OG1 1 ATOM 6946 C CG2 . THR B 2 238 ? 26.356 -50.552 30.788 1.00 54.97 ? 916 THR A CG2 1 ATOM 6947 N N . TRP B 2 239 ? 29.481 -52.981 30.628 1.00 53.14 ? 917 TRP A N 1 ATOM 6948 C CA . TRP B 2 239 ? 30.787 -52.908 29.984 1.00 54.69 ? 917 TRP A CA 1 ATOM 6949 C C . TRP B 2 239 ? 30.875 -51.734 29.016 1.00 54.83 ? 917 TRP A C 1 ATOM 6950 O O . TRP B 2 239 ? 31.917 -51.518 28.391 1.00 56.14 ? 917 TRP A O 1 ATOM 6951 C CB . TRP B 2 239 ? 31.096 -54.214 29.254 1.00 55.89 ? 917 TRP A CB 1 ATOM 6952 C CG . TRP B 2 239 ? 31.338 -55.379 30.164 1.00 56.17 ? 917 TRP A CG 1 ATOM 6953 C CD1 . TRP B 2 239 ? 30.464 -56.381 30.458 1.00 55.63 ? 917 TRP A CD1 1 ATOM 6954 C CD2 . TRP B 2 239 ? 32.538 -55.664 30.898 1.00 57.15 ? 917 TRP A CD2 1 ATOM 6955 N NE1 . TRP B 2 239 ? 31.041 -57.273 31.327 1.00 56.20 ? 917 TRP A NE1 1 ATOM 6956 C CE2 . TRP B 2 239 ? 32.314 -56.856 31.613 1.00 57.14 ? 917 TRP A CE2 1 ATOM 6957 C CE3 . TRP B 2 239 ? 33.777 -55.028 31.020 1.00 58.88 ? 917 TRP A CE3 1 ATOM 6958 C CZ2 . TRP B 2 239 ? 33.283 -57.426 32.438 1.00 64.66 ? 917 TRP A CZ2 1 ATOM 6959 C CZ3 . TRP B 2 239 ? 34.739 -55.596 31.841 1.00 59.01 ? 917 TRP A CZ3 1 ATOM 6960 C CH2 . TRP B 2 239 ? 34.485 -56.783 32.538 1.00 58.96 ? 917 TRP A CH2 1 ATOM 6961 N N . PHE B 2 240 ? 29.789 -50.969 28.890 1.00 62.51 ? 918 PHE A N 1 ATOM 6962 C CA . PHE B 2 240 ? 29.745 -49.800 28.027 1.00 62.63 ? 918 PHE A CA 1 ATOM 6963 C C . PHE B 2 240 ? 29.475 -48.501 28.776 1.00 61.92 ? 918 PHE A C 1 ATOM 6964 O O . PHE B 2 240 ? 29.351 -47.454 28.131 1.00 61.77 ? 918 PHE A O 1 ATOM 6965 C CB . PHE B 2 240 ? 28.684 -49.993 26.932 1.00 53.25 ? 918 PHE A CB 1 ATOM 6966 C CG . PHE B 2 240 ? 28.885 -51.237 26.118 1.00 58.82 ? 918 PHE A CG 1 ATOM 6967 C CD1 . PHE B 2 240 ? 29.737 -51.236 25.026 1.00 60.15 ? 918 PHE A CD1 1 ATOM 6968 C CD2 . PHE B 2 240 ? 28.239 -52.414 26.452 1.00 59.14 ? 918 PHE A CD2 1 ATOM 6969 C CE1 . PHE B 2 240 ? 29.934 -52.381 24.280 1.00 56.86 ? 918 PHE A CE1 1 ATOM 6970 C CE2 . PHE B 2 240 ? 28.435 -53.565 25.707 1.00 61.47 ? 918 PHE A CE2 1 ATOM 6971 C CZ . PHE B 2 240 ? 29.283 -53.546 24.622 1.00 56.48 ? 918 PHE A CZ 1 ATOM 6972 N N . GLY B 2 241 ? 29.380 -48.522 30.099 1.00 51.80 ? 919 GLY A N 1 ATOM 6973 C CA . GLY B 2 241 ? 29.193 -47.285 30.827 1.00 50.93 ? 919 GLY A CA 1 ATOM 6974 C C . GLY B 2 241 ? 28.609 -47.518 32.207 1.00 59.14 ? 919 GLY A C 1 ATOM 6975 O O . GLY B 2 241 ? 28.513 -48.647 32.685 1.00 60.58 ? 919 GLY A O 1 ATOM 6976 N N . LYS B 2 242 ? 28.223 -46.408 32.833 1.00 59.70 ? 920 LYS A N 1 ATOM 6977 C CA . LYS B 2 242 ? 27.708 -46.414 34.196 1.00 55.00 ? 920 LYS A CA 1 ATOM 6978 C C . LYS B 2 242 ? 26.711 -45.277 34.338 1.00 53.90 ? 920 LYS A C 1 ATOM 6979 O O . LYS B 2 242 ? 27.001 -44.144 33.943 1.00 56.40 ? 920 LYS A O 1 ATOM 6980 C CB . LYS B 2 242 ? 28.842 -46.267 35.217 1.00 56.72 ? 920 LYS A CB 1 ATOM 6981 C CG . LYS B 2 242 ? 28.401 -46.317 36.682 1.00 62.66 ? 920 LYS A CG 1 ATOM 6982 C CD . LYS B 2 242 ? 29.601 -46.189 37.621 1.00 68.57 ? 920 LYS A CD 1 ATOM 6983 C CE . LYS B 2 242 ? 29.185 -46.060 39.081 1.00 72.12 ? 920 LYS A CE 1 ATOM 6984 N NZ . LYS B 2 242 ? 28.561 -47.304 39.602 1.00 75.81 ? 920 LYS A NZ 1 ATOM 6985 N N . GLU B 2 243 ? 25.544 -45.584 34.892 1.00 53.73 ? 921 GLU A N 1 ATOM 6986 C CA . GLU B 2 243 ? 24.462 -44.626 35.058 1.00 51.70 ? 921 GLU A CA 1 ATOM 6987 C C . GLU B 2 243 ? 24.041 -44.596 36.519 1.00 55.80 ? 921 GLU A C 1 ATOM 6988 O O . GLU B 2 243 ? 24.030 -45.632 37.191 1.00 54.91 ? 921 GLU A O 1 ATOM 6989 C CB . GLU B 2 243 ? 23.261 -44.990 34.172 1.00 55.67 ? 921 GLU A CB 1 ATOM 6990 C CG . GLU B 2 243 ? 22.001 -44.184 34.457 1.00 65.30 ? 921 GLU A CG 1 ATOM 6991 C CD . GLU B 2 243 ? 20.746 -44.815 33.878 1.00 71.40 ? 921 GLU A CD 1 ATOM 6992 O OE1 . GLU B 2 243 ? 20.864 -45.769 33.080 1.00 76.44 ? 921 GLU A OE1 1 ATOM 6993 O OE2 . GLU B 2 243 ? 19.639 -44.356 34.229 1.00 70.25 ? 921 GLU A OE2 1 ATOM 6994 N N . ILE B 2 244 ? 23.699 -43.407 37.010 1.00 54.55 ? 922 ILE A N 1 ATOM 6995 C CA . ILE B 2 244 ? 23.238 -43.218 38.379 1.00 46.50 ? 922 ILE A CA 1 ATOM 6996 C C . ILE B 2 244 ? 21.832 -42.643 38.334 1.00 48.76 ? 922 ILE A C 1 ATOM 6997 O O . ILE B 2 244 ? 21.576 -41.658 37.634 1.00 50.18 ? 922 ILE A O 1 ATOM 6998 C CB . ILE B 2 244 ? 24.182 -42.304 39.180 1.00 46.01 ? 922 ILE A CB 1 ATOM 6999 C CG1 . ILE B 2 244 ? 25.524 -43.002 39.404 1.00 53.46 ? 922 ILE A CG1 1 ATOM 7000 C CG2 . ILE B 2 244 ? 23.547 -41.910 40.507 1.00 45.05 ? 922 ILE A CG2 1 ATOM 7001 C CD1 . ILE B 2 244 ? 26.485 -42.235 40.291 1.00 61.13 ? 922 ILE A CD1 1 ATOM 7002 N N . LEU B 2 245 ? 20.926 -43.263 39.075 1.00 48.93 ? 923 LEU A N 1 ATOM 7003 C CA . LEU B 2 245 ? 19.533 -42.852 39.155 1.00 52.77 ? 923 LEU A CA 1 ATOM 7004 C C . LEU B 2 245 ? 19.286 -42.370 40.578 1.00 61.85 ? 923 LEU A C 1 ATOM 7005 O O . LEU B 2 245 ? 19.362 -43.156 41.529 1.00 65.56 ? 923 LEU A O 1 ATOM 7006 C CB . LEU B 2 245 ? 18.608 -44.004 38.777 1.00 51.43 ? 923 LEU A CB 1 ATOM 7007 C CG . LEU B 2 245 ? 17.108 -43.751 38.907 1.00 56.33 ? 923 LEU A CG 1 ATOM 7008 C CD1 . LEU B 2 245 ? 16.693 -42.536 38.097 1.00 62.34 ? 923 LEU A CD1 1 ATOM 7009 C CD2 . LEU B 2 245 ? 16.329 -44.978 38.469 1.00 56.38 ? 923 LEU A CD2 1 ATOM 7010 N N . VAL B 2 246 ? 19.021 -41.078 40.726 1.00 62.10 ? 924 VAL A N 1 ATOM 7011 C CA . VAL B 2 246 ? 18.816 -40.475 42.036 1.00 60.10 ? 924 VAL A CA 1 ATOM 7012 C C . VAL B 2 246 ? 17.343 -40.581 42.393 1.00 55.81 ? 924 VAL A C 1 ATOM 7013 O O . VAL B 2 246 ? 16.470 -40.214 41.598 1.00 57.75 ? 924 VAL A O 1 ATOM 7014 C CB . VAL B 2 246 ? 19.286 -39.012 42.050 1.00 63.08 ? 924 VAL A CB 1 ATOM 7015 C CG1 . VAL B 2 246 ? 18.996 -38.378 43.403 1.00 60.61 ? 924 VAL A CG1 1 ATOM 7016 C CG2 . VAL B 2 246 ? 20.772 -38.932 41.725 1.00 64.76 ? 924 VAL A CG2 1 ATOM 7017 N N . LYS B 2 247 ? 17.064 -41.082 43.590 1.00 49.29 ? 925 LYS A N 1 ATOM 7018 C CA . LYS B 2 247 ? 15.704 -41.365 44.009 1.00 45.37 ? 925 LYS A CA 1 ATOM 7019 C C . LYS B 2 247 ? 15.517 -40.909 45.450 1.00 48.27 ? 925 LYS A C 1 ATOM 7020 O O . LYS B 2 247 ? 16.479 -40.598 46.160 1.00 50.10 ? 925 LYS A O 1 ATOM 7021 C CB . LYS B 2 247 ? 15.389 -42.856 43.862 1.00 45.49 ? 925 LYS A CB 1 ATOM 7022 C CG . LYS B 2 247 ? 14.176 -43.140 43.005 1.00 51.16 ? 925 LYS A CG 1 ATOM 7023 C CD . LYS B 2 247 ? 14.448 -42.919 41.531 1.00 53.56 ? 925 LYS A CD 1 ATOM 7024 C CE . LYS B 2 247 ? 13.224 -43.271 40.703 1.00 54.68 ? 925 LYS A CE 1 ATOM 7025 N NZ . LYS B 2 247 ? 13.501 -43.125 39.251 1.00 61.65 ? 925 LYS A NZ 1 ATOM 7026 N N . THR B 2 248 ? 14.258 -40.873 45.884 1.00 43.72 ? 926 THR A N 1 ATOM 7027 C CA . THR B 2 248 ? 13.929 -40.440 47.235 1.00 45.82 ? 926 THR A CA 1 ATOM 7028 C C . THR B 2 248 ? 12.809 -41.296 47.803 1.00 44.64 ? 926 THR A C 1 ATOM 7029 O O . THR B 2 248 ? 11.757 -41.452 47.175 1.00 43.32 ? 926 THR A O 1 ATOM 7030 C CB . THR B 2 248 ? 13.528 -38.962 47.255 1.00 50.23 ? 926 THR A CB 1 ATOM 7031 O OG1 . THR B 2 248 ? 14.667 -38.162 46.918 1.00 57.59 ? 926 THR A OG1 1 ATOM 7032 C CG2 . THR B 2 248 ? 13.012 -38.563 48.635 1.00 48.47 ? 926 THR A CG2 1 ATOM 7033 N N . LEU B 2 249 ? 13.045 -41.840 48.995 1.00 43.83 ? 927 LEU A N 1 ATOM 7034 C CA . LEU B 2 249 ? 12.084 -42.656 49.722 1.00 44.74 ? 927 LEU A CA 1 ATOM 7035 C C . LEU B 2 249 ? 11.468 -41.834 50.846 1.00 44.08 ? 927 LEU A C 1 ATOM 7036 O O . LEU B 2 249 ? 12.189 -41.290 51.690 1.00 43.62 ? 927 LEU A O 1 ATOM 7037 C CB . LEU B 2 249 ? 12.760 -43.903 50.294 1.00 41.06 ? 927 LEU A CB 1 ATOM 7038 C CG . LEU B 2 249 ? 11.867 -44.903 51.019 1.00 38.10 ? 927 LEU A CG 1 ATOM 7039 C CD1 . LEU B 2 249 ? 10.864 -45.542 50.065 1.00 32.60 ? 927 LEU A CD1 1 ATOM 7040 C CD2 . LEU B 2 249 ? 12.735 -45.955 51.681 1.00 37.38 ? 927 LEU A CD2 1 ATOM 7041 N N . ARG B 2 250 ? 10.138 -41.753 50.860 1.00 42.31 ? 928 ARG A N 1 ATOM 7042 C CA . ARG B 2 250 ? 9.397 -40.999 51.865 1.00 37.11 ? 928 ARG A CA 1 ATOM 7043 C C . ARG B 2 250 ? 8.950 -41.952 52.969 1.00 40.94 ? 928 ARG A C 1 ATOM 7044 O O . ARG B 2 250 ? 8.100 -42.818 52.741 1.00 43.95 ? 928 ARG A O 1 ATOM 7045 C CB . ARG B 2 250 ? 8.197 -40.298 51.235 1.00 33.48 ? 928 ARG A CB 1 ATOM 7046 C CG . ARG B 2 250 ? 7.309 -39.592 52.243 1.00 44.71 ? 928 ARG A CG 1 ATOM 7047 C CD . ARG B 2 250 ? 6.011 -39.107 51.619 1.00 55.94 ? 928 ARG A CD 1 ATOM 7048 N NE . ARG B 2 250 ? 6.233 -38.315 50.412 1.00 67.59 ? 928 ARG A NE 1 ATOM 7049 C CZ . ARG B 2 250 ? 6.525 -37.018 50.407 1.00 69.81 ? 928 ARG A CZ 1 ATOM 7050 N NH1 . ARG B 2 250 ? 6.641 -36.354 51.551 1.00 70.86 ? 928 ARG A NH1 1 ATOM 7051 N NH2 . ARG B 2 250 ? 6.706 -36.385 49.257 1.00 67.45 ? 928 ARG A NH2 1 ATOM 7052 N N . VAL B 2 251 ? 9.506 -41.780 54.166 1.00 41.91 ? 929 VAL A N 1 ATOM 7053 C CA . VAL B 2 251 ? 9.212 -42.630 55.316 1.00 40.72 ? 929 VAL A CA 1 ATOM 7054 C C . VAL B 2 251 ? 8.266 -41.882 56.247 1.00 44.00 ? 929 VAL A C 1 ATOM 7055 O O . VAL B 2 251 ? 8.581 -40.781 56.715 1.00 47.58 ? 929 VAL A O 1 ATOM 7056 C CB . VAL B 2 251 ? 10.495 -43.043 56.051 1.00 40.39 ? 929 VAL A CB 1 ATOM 7057 C CG1 . VAL B 2 251 ? 10.190 -44.105 57.104 1.00 36.52 ? 929 VAL A CG1 1 ATOM 7058 C CG2 . VAL B 2 251 ? 11.522 -43.542 55.058 1.00 41.17 ? 929 VAL A CG2 1 ATOM 7059 N N . VAL B 2 252 ? 7.125 -42.500 56.540 1.00 43.66 ? 930 VAL A N 1 ATOM 7060 C CA . VAL B 2 252 ? 6.022 -41.895 57.287 1.00 43.19 ? 930 VAL A CA 1 ATOM 7061 C C . VAL B 2 252 ? 5.914 -42.571 58.652 1.00 52.52 ? 930 VAL A C 1 ATOM 7062 O O . VAL B 2 252 ? 6.176 -43.778 58.760 1.00 57.70 ? 930 VAL A O 1 ATOM 7063 C CB . VAL B 2 252 ? 4.719 -42.002 56.473 1.00 35.53 ? 930 VAL A CB 1 ATOM 7064 C CG1 . VAL B 2 252 ? 3.480 -41.842 57.335 1.00 42.44 ? 930 VAL A CG1 1 ATOM 7065 C CG2 . VAL B 2 252 ? 4.717 -40.964 55.380 1.00 29.37 ? 930 VAL A CG2 1 ATOM 7066 N N . PRO B 2 253 ? 5.565 -41.849 59.717 1.00 51.41 ? 931 PRO A N 1 ATOM 7067 C CA . PRO B 2 253 ? 5.405 -42.491 61.028 1.00 49.35 ? 931 PRO A CA 1 ATOM 7068 C C . PRO B 2 253 ? 4.206 -43.428 61.052 1.00 47.95 ? 931 PRO A C 1 ATOM 7069 O O . PRO B 2 253 ? 3.338 -43.408 60.177 1.00 41.71 ? 931 PRO A O 1 ATOM 7070 C CB . PRO B 2 253 ? 5.195 -41.313 61.989 1.00 43.76 ? 931 PRO A CB 1 ATOM 7071 C CG . PRO B 2 253 ? 5.663 -40.113 61.251 1.00 47.11 ? 931 PRO A CG 1 ATOM 7072 C CD . PRO B 2 253 ? 5.408 -40.389 59.804 1.00 49.65 ? 931 PRO A CD 1 ATOM 7073 N N . GLU B 2 254 ? 4.162 -44.250 62.100 1.00 46.21 ? 932 GLU A N 1 ATOM 7074 C CA . GLU B 2 254 ? 3.009 -45.101 62.359 1.00 42.20 ? 932 GLU A CA 1 ATOM 7075 C C . GLU B 2 254 ? 1.814 -44.255 62.804 1.00 41.86 ? 932 GLU A C 1 ATOM 7076 O O . GLU B 2 254 ? 1.915 -43.045 63.028 1.00 47.13 ? 932 GLU A O 1 ATOM 7077 C CB . GLU B 2 254 ? 3.339 -46.141 63.434 1.00 42.02 ? 932 GLU A CB 1 ATOM 7078 C CG . GLU B 2 254 ? 4.624 -46.937 63.226 1.00 42.90 ? 932 GLU A CG 1 ATOM 7079 C CD . GLU B 2 254 ? 5.883 -46.207 63.685 1.00 45.51 ? 932 GLU A CD 1 ATOM 7080 O OE1 . GLU B 2 254 ? 5.845 -44.971 63.860 1.00 50.01 ? 932 GLU A OE1 1 ATOM 7081 O OE2 . GLU B 2 254 ? 6.923 -46.876 63.867 1.00 42.21 ? 932 GLU A OE2 1 ATOM 7082 N N . GLY B 2 255 ? 0.664 -44.919 62.947 1.00 39.16 ? 933 GLY A N 1 ATOM 7083 C CA . GLY B 2 255 ? -0.543 -44.293 63.453 1.00 38.36 ? 933 GLY A CA 1 ATOM 7084 C C . GLY B 2 255 ? -1.153 -43.268 62.503 1.00 46.87 ? 933 GLY A C 1 ATOM 7085 O O . GLY B 2 255 ? -0.824 -43.180 61.321 1.00 48.49 ? 933 GLY A O 1 ATOM 7086 N N . VAL B 2 256 ? -2.067 -42.472 63.066 1.00 51.95 ? 934 VAL A N 1 ATOM 7087 C CA . VAL B 2 256 ? -2.817 -41.467 62.320 1.00 49.86 ? 934 VAL A CA 1 ATOM 7088 C C . VAL B 2 256 ? -2.154 -40.112 62.499 1.00 51.39 ? 934 VAL A C 1 ATOM 7089 O O . VAL B 2 256 ? -1.654 -39.789 63.584 1.00 51.78 ? 934 VAL A O 1 ATOM 7090 C CB . VAL B 2 256 ? -4.285 -41.399 62.780 1.00 54.15 ? 934 VAL A CB 1 ATOM 7091 C CG1 . VAL B 2 256 ? -5.064 -40.455 61.897 1.00 61.21 ? 934 VAL A CG1 1 ATOM 7092 C CG2 . VAL B 2 256 ? -4.918 -42.743 62.737 1.00 56.56 ? 934 VAL A CG2 1 ATOM 7093 N N . LYS B 2 257 ? -2.167 -39.307 61.439 1.00 50.31 ? 935 LYS A N 1 ATOM 7094 C CA . LYS B 2 257 ? -1.792 -37.907 61.555 1.00 47.26 ? 935 LYS A CA 1 ATOM 7095 C C . LYS B 2 257 ? -2.963 -37.117 62.126 1.00 43.48 ? 935 LYS A C 1 ATOM 7096 O O . LYS B 2 257 ? -4.106 -37.274 61.687 1.00 43.57 ? 935 LYS A O 1 ATOM 7097 C CB . LYS B 2 257 ? -1.377 -37.341 60.197 1.00 47.66 ? 935 LYS A CB 1 ATOM 7098 C CG . LYS B 2 257 ? -0.756 -35.954 60.276 1.00 48.82 ? 935 LYS A CG 1 ATOM 7099 C CD . LYS B 2 257 ? -0.206 -35.488 58.938 1.00 50.27 ? 935 LYS A CD 1 ATOM 7100 C CE . LYS B 2 257 ? -1.281 -34.829 58.096 1.00 56.46 ? 935 LYS A CE 1 ATOM 7101 N NZ . LYS B 2 257 ? -0.678 -34.097 56.949 1.00 63.61 ? 935 LYS A NZ 1 ATOM 7102 N N . ARG B 2 258 ? -2.686 -36.288 63.121 1.00 41.09 ? 936 ARG A N 1 ATOM 7103 C CA . ARG B 2 258 ? -3.677 -35.389 63.691 1.00 41.22 ? 936 ARG A CA 1 ATOM 7104 C C . ARG B 2 258 ? -3.072 -33.995 63.773 1.00 40.99 ? 936 ARG A C 1 ATOM 7105 O O . ARG B 2 258 ? -1.899 -33.834 64.131 1.00 37.79 ? 936 ARG A O 1 ATOM 7106 C CB . ARG B 2 258 ? -4.143 -35.861 65.078 1.00 41.22 ? 936 ARG A CB 1 ATOM 7107 C CG . ARG B 2 258 ? -4.998 -37.131 65.069 1.00 41.66 ? 936 ARG A CG 1 ATOM 7108 C CD . ARG B 2 258 ? -6.424 -36.848 64.621 1.00 44.39 ? 936 ARG A CD 1 ATOM 7109 N NE . ARG B 2 258 ? -6.704 -37.394 63.295 1.00 49.23 ? 936 ARG A NE 1 ATOM 7110 C CZ . ARG B 2 258 ? -7.564 -38.378 63.056 1.00 44.44 ? 936 ARG A CZ 1 ATOM 7111 N NH1 . ARG B 2 258 ? -8.245 -38.926 64.051 1.00 41.02 ? 936 ARG A NH1 1 ATOM 7112 N NH2 . ARG B 2 258 ? -7.751 -38.807 61.816 1.00 44.71 ? 936 ARG A NH2 1 ATOM 7113 N N . GLU B 2 259 ? -3.882 -32.994 63.434 1.00 46.02 ? 937 GLU A N 1 ATOM 7114 C CA . GLU B 2 259 ? -3.411 -31.632 63.217 1.00 51.84 ? 937 GLU A CA 1 ATOM 7115 C C . GLU B 2 259 ? -4.259 -30.679 64.047 1.00 55.62 ? 937 GLU A C 1 ATOM 7116 O O . GLU B 2 259 ? -5.476 -30.601 63.853 1.00 60.28 ? 937 GLU A O 1 ATOM 7117 C CB . GLU B 2 259 ? -3.488 -31.276 61.727 1.00 58.84 ? 937 GLU A CB 1 ATOM 7118 C CG . GLU B 2 259 ? -2.425 -30.308 61.229 1.00 70.66 ? 937 GLU A CG 1 ATOM 7119 C CD . GLU B 2 259 ? -2.325 -30.276 59.707 1.00 76.69 ? 937 GLU A CD 1 ATOM 7120 O OE1 . GLU B 2 259 ? -3.011 -31.082 59.043 1.00 79.58 ? 937 GLU A OE1 1 ATOM 7121 O OE2 . GLU B 2 259 ? -1.558 -29.447 59.172 1.00 79.32 ? 937 GLU A OE2 1 ATOM 7122 N N . SER B 2 260 ? -3.624 -29.962 64.968 1.00 53.30 ? 938 SER A N 1 ATOM 7123 C CA . SER B 2 260 ? -4.287 -28.943 65.769 1.00 52.06 ? 938 SER A CA 1 ATOM 7124 C C . SER B 2 260 ? -3.752 -27.564 65.401 1.00 50.49 ? 938 SER A C 1 ATOM 7125 O O . SER B 2 260 ? -2.636 -27.421 64.902 1.00 48.55 ? 938 SER A O 1 ATOM 7126 C CB . SER B 2 260 ? -4.084 -29.201 67.262 1.00 52.70 ? 938 SER A CB 1 ATOM 7127 O OG . SER B 2 260 ? -2.704 -29.260 67.560 1.00 58.81 ? 938 SER A OG 1 ATOM 7128 N N . TYR B 2 261 ? -4.558 -26.537 65.659 1.00 50.68 ? 939 TYR A N 1 ATOM 7129 C CA . TYR B 2 261 ? -4.245 -25.186 65.213 1.00 47.70 ? 939 TYR A CA 1 ATOM 7130 C C . TYR B 2 261 ? -4.418 -24.190 66.350 1.00 50.29 ? 939 TYR A C 1 ATOM 7131 O O . TYR B 2 261 ? -5.327 -24.326 67.173 1.00 53.19 ? 939 TYR A O 1 ATOM 7132 C CB . TYR B 2 261 ? -5.133 -24.796 64.034 1.00 43.16 ? 939 TYR A CB 1 ATOM 7133 C CG . TYR B 2 261 ? -5.184 -25.859 62.964 1.00 53.28 ? 939 TYR A CG 1 ATOM 7134 C CD1 . TYR B 2 261 ? -4.172 -25.970 62.019 1.00 59.14 ? 939 TYR A CD1 1 ATOM 7135 C CD2 . TYR B 2 261 ? -6.238 -26.762 62.904 1.00 56.40 ? 939 TYR A CD2 1 ATOM 7136 C CE1 . TYR B 2 261 ? -4.210 -26.947 61.040 1.00 61.53 ? 939 TYR A CE1 1 ATOM 7137 C CE2 . TYR B 2 261 ? -6.286 -27.743 61.926 1.00 59.22 ? 939 TYR A CE2 1 ATOM 7138 C CZ . TYR B 2 261 ? -5.270 -27.830 60.997 1.00 62.92 ? 939 TYR A CZ 1 ATOM 7139 O OH . TYR B 2 261 ? -5.311 -28.801 60.020 1.00 67.00 ? 939 TYR A OH 1 ATOM 7140 N N . SER B 2 262 ? -3.544 -23.186 66.392 1.00 51.13 ? 940 SER A N 1 ATOM 7141 C CA . SER B 2 262 ? -3.631 -22.124 67.386 1.00 57.61 ? 940 SER A CA 1 ATOM 7142 C C . SER B 2 262 ? -3.450 -20.772 66.714 1.00 63.76 ? 940 SER A C 1 ATOM 7143 O O . SER B 2 262 ? -2.509 -20.580 65.936 1.00 63.79 ? 940 SER A O 1 ATOM 7144 C CB . SER B 2 262 ? -2.587 -22.296 68.487 1.00 63.06 ? 940 SER A CB 1 ATOM 7145 O OG . SER B 2 262 ? -2.631 -21.191 69.374 1.00 68.59 ? 940 SER A OG 1 ATOM 7146 N N . GLY B 2 263 ? -4.334 -19.838 67.029 1.00 69.03 ? 941 GLY A N 1 ATOM 7147 C CA . GLY B 2 263 ? -4.329 -18.534 66.385 1.00 71.79 ? 941 GLY A CA 1 ATOM 7148 C C . GLY B 2 263 ? -4.258 -17.404 67.387 1.00 69.70 ? 941 GLY A C 1 ATOM 7149 O O . GLY B 2 263 ? -4.873 -17.462 68.452 1.00 71.63 ? 941 GLY A O 1 ATOM 7150 N N . VAL B 2 264 ? -3.499 -16.369 67.030 1.00 65.65 ? 942 VAL A N 1 ATOM 7151 C CA . VAL B 2 264 ? -3.259 -15.212 67.885 1.00 63.16 ? 942 VAL A CA 1 ATOM 7152 C C . VAL B 2 264 ? -3.204 -13.961 67.022 1.00 60.34 ? 942 VAL A C 1 ATOM 7153 O O . VAL B 2 264 ? -2.567 -13.951 65.965 1.00 63.20 ? 942 VAL A O 1 ATOM 7154 C CB . VAL B 2 264 ? -1.952 -15.363 68.686 1.00 63.54 ? 942 VAL A CB 1 ATOM 7155 C CG1 . VAL B 2 264 ? -1.649 -14.089 69.457 1.00 60.36 ? 942 VAL A CG1 1 ATOM 7156 C CG2 . VAL B 2 264 ? -2.051 -16.549 69.617 1.00 67.76 ? 942 VAL A CG2 1 ATOM 7157 N N . THR B 2 265 ? -3.860 -12.900 67.478 1.00 58.03 ? 943 THR A N 1 ATOM 7158 C CA . THR B 2 265 ? -3.858 -11.622 66.780 1.00 61.44 ? 943 THR A CA 1 ATOM 7159 C C . THR B 2 265 ? -3.010 -10.624 67.557 1.00 58.57 ? 943 THR A C 1 ATOM 7160 O O . THR B 2 265 ? -3.173 -10.479 68.771 1.00 61.87 ? 943 THR A O 1 ATOM 7161 C CB . THR B 2 265 ? -5.282 -11.097 66.598 1.00 70.47 ? 943 THR A CB 1 ATOM 7162 O OG1 . THR B 2 265 ? -5.965 -11.899 65.627 1.00 76.68 ? 943 THR A OG1 1 ATOM 7163 C CG2 . THR B 2 265 ? -5.260 -9.667 66.119 1.00 72.60 ? 943 THR A CG2 1 ATOM 7164 N N . LEU B 2 266 ? -2.096 -9.953 66.855 1.00 52.95 ? 944 LEU A N 1 ATOM 7165 C CA . LEU B 2 266 ? -1.194 -8.972 67.447 1.00 50.30 ? 944 LEU A CA 1 ATOM 7166 C C . LEU B 2 266 ? -1.684 -7.574 67.087 1.00 52.28 ? 944 LEU A C 1 ATOM 7167 O O . LEU B 2 266 ? -1.628 -7.169 65.917 1.00 55.13 ? 944 LEU A O 1 ATOM 7168 C CB . LEU B 2 266 ? 0.240 -9.188 66.972 1.00 49.70 ? 944 LEU A CB 1 ATOM 7169 C CG . LEU B 2 266 ? 0.999 -10.355 67.603 1.00 51.86 ? 944 LEU A CG 1 ATOM 7170 C CD1 . LEU B 2 266 ? 2.412 -10.439 67.056 1.00 53.96 ? 944 LEU A CD1 1 ATOM 7171 C CD2 . LEU B 2 266 ? 1.025 -10.191 69.105 1.00 50.64 ? 944 LEU A CD2 1 ATOM 7172 N N . ASP B 2 267 ? -2.170 -6.849 68.100 1.00 46.50 ? 945 ASP A N 1 ATOM 7173 C CA . ASP B 2 267 ? -2.628 -5.464 67.991 1.00 46.08 ? 945 ASP A CA 1 ATOM 7174 C C . ASP B 2 267 ? -1.851 -4.689 69.045 1.00 50.82 ? 945 ASP A C 1 ATOM 7175 O O . ASP B 2 267 ? -2.332 -4.511 70.176 1.00 55.38 ? 945 ASP A O 1 ATOM 7176 C CB . ASP B 2 267 ? -4.136 -5.348 68.212 1.00 47.52 ? 945 ASP A CB 1 ATOM 7177 C CG . ASP B 2 267 ? -4.664 -3.928 68.002 1.00 55.05 ? 945 ASP A CG 1 ATOM 7178 O OD1 . ASP B 2 267 ? -3.851 -2.987 67.874 1.00 63.07 ? 945 ASP A OD1 1 ATOM 7179 O OD2 . ASP B 2 267 ? -5.902 -3.747 67.971 1.00 51.22 ? 945 ASP A OD2 1 ATOM 7180 N N . PRO B 2 268 ? -0.643 -4.220 68.726 1.00 51.31 ? 946 PRO A N 1 ATOM 7181 C CA . PRO B 2 268 ? 0.202 -3.621 69.771 1.00 54.97 ? 946 PRO A CA 1 ATOM 7182 C C . PRO B 2 268 ? -0.360 -2.338 70.363 1.00 60.64 ? 946 PRO A C 1 ATOM 7183 O O . PRO B 2 268 ? -0.073 -2.038 71.529 1.00 62.13 ? 946 PRO A O 1 ATOM 7184 C CB . PRO B 2 268 ? 1.536 -3.379 69.050 1.00 54.52 ? 946 PRO A CB 1 ATOM 7185 C CG . PRO B 2 268 ? 1.202 -3.407 67.585 1.00 54.67 ? 946 PRO A CG 1 ATOM 7186 C CD . PRO B 2 268 ? 0.063 -4.359 67.442 1.00 51.74 ? 946 PRO A CD 1 ATOM 7187 N N . ARG B 2 269 ? -1.155 -1.576 69.613 1.00 60.67 ? 947 ARG A N 1 ATOM 7188 C CA . ARG B 2 269 ? -1.710 -0.325 70.114 1.00 59.50 ? 947 ARG A CA 1 ATOM 7189 C C . ARG B 2 269 ? -3.187 -0.431 70.468 1.00 59.59 ? 947 ARG A C 1 ATOM 7190 O O . ARG B 2 269 ? -3.804 0.586 70.803 1.00 61.72 ? 947 ARG A O 1 ATOM 7191 C CB . ARG B 2 269 ? -1.492 0.799 69.099 1.00 60.80 ? 947 ARG A CB 1 ATOM 7192 C CG . ARG B 2 269 ? -0.080 1.345 69.110 1.00 68.67 ? 947 ARG A CG 1 ATOM 7193 C CD . ARG B 2 269 ? 0.114 2.443 68.085 1.00 79.90 ? 947 ARG A CD 1 ATOM 7194 N NE . ARG B 2 269 ? 1.459 3.008 68.161 1.00 88.85 ? 947 ARG A NE 1 ATOM 7195 C CZ . ARG B 2 269 ? 1.928 3.940 67.338 1.00 91.23 ? 947 ARG A CZ 1 ATOM 7196 N NH1 . ARG B 2 269 ? 1.162 4.420 66.367 1.00 89.05 ? 947 ARG A NH1 1 ATOM 7197 N NH2 . ARG B 2 269 ? 3.166 4.393 67.486 1.00 94.37 ? 947 ARG A NH2 1 ATOM 7198 N N . GLY B 2 270 ? -3.763 -1.630 70.410 1.00 57.30 ? 948 GLY A N 1 ATOM 7199 C CA . GLY B 2 270 ? -5.151 -1.829 70.779 1.00 59.37 ? 948 GLY A CA 1 ATOM 7200 C C . GLY B 2 270 ? -6.126 -0.971 69.998 1.00 64.27 ? 948 GLY A C 1 ATOM 7201 O O . GLY B 2 270 ? -7.002 -0.324 70.584 1.00 65.67 ? 948 GLY A O 1 ATOM 7202 N N . ILE B 2 271 ? -5.981 -0.957 68.672 1.00 64.36 ? 949 ILE A N 1 ATOM 7203 C CA . ILE B 2 271 ? -6.852 -0.141 67.835 1.00 64.67 ? 949 ILE A CA 1 ATOM 7204 C C . ILE B 2 271 ? -8.204 -0.816 67.640 1.00 62.72 ? 949 ILE A C 1 ATOM 7205 O O . ILE B 2 271 ? -9.250 -0.159 67.683 1.00 63.55 ? 949 ILE A O 1 ATOM 7206 C CB . ILE B 2 271 ? -6.162 0.154 66.492 1.00 66.75 ? 949 ILE A CB 1 ATOM 7207 C CG1 . ILE B 2 271 ? -4.846 0.902 66.724 1.00 66.85 ? 949 ILE A CG1 1 ATOM 7208 C CG2 . ILE B 2 271 ? -7.083 0.947 65.578 1.00 67.88 ? 949 ILE A CG2 1 ATOM 7209 C CD1 . ILE B 2 271 ? -5.002 2.197 67.498 1.00 67.27 ? 949 ILE A CD1 1 ATOM 7210 N N . TYR B 2 272 ? -8.210 -2.130 67.434 1.00 63.69 ? 950 TYR A N 1 ATOM 7211 C CA . TYR B 2 272 ? -9.434 -2.884 67.206 1.00 67.88 ? 950 TYR A CA 1 ATOM 7212 C C . TYR B 2 272 ? -9.920 -3.610 68.456 1.00 71.43 ? 950 TYR A C 1 ATOM 7213 O O . TYR B 2 272 ? -10.884 -4.378 68.380 1.00 75.48 ? 950 TYR A O 1 ATOM 7214 C CB . TYR B 2 272 ? -9.223 -3.877 66.063 1.00 69.61 ? 950 TYR A CB 1 ATOM 7215 C CG . TYR B 2 272 ? -8.601 -3.249 64.837 1.00 72.10 ? 950 TYR A CG 1 ATOM 7216 C CD1 . TYR B 2 272 ? -9.384 -2.585 63.901 1.00 74.91 ? 950 TYR A CD1 1 ATOM 7217 C CD2 . TYR B 2 272 ? -7.230 -3.309 64.619 1.00 73.51 ? 950 TYR A CD2 1 ATOM 7218 C CE1 . TYR B 2 272 ? -8.821 -2.003 62.779 1.00 77.62 ? 950 TYR A CE1 1 ATOM 7219 C CE2 . TYR B 2 272 ? -6.657 -2.730 63.498 1.00 76.74 ? 950 TYR A CE2 1 ATOM 7220 C CZ . TYR B 2 272 ? -7.458 -2.079 62.581 1.00 78.97 ? 950 TYR A CZ 1 ATOM 7221 O OH . TYR B 2 272 ? -6.896 -1.501 61.464 1.00 81.57 ? 950 TYR A OH 1 ATOM 7222 N N . GLY B 2 273 ? -9.283 -3.378 69.599 1.00 66.29 ? 951 GLY A N 1 ATOM 7223 C CA . GLY B 2 273 ? -9.669 -4.064 70.820 1.00 64.69 ? 951 GLY A CA 1 ATOM 7224 C C . GLY B 2 273 ? -8.640 -3.832 71.900 1.00 68.79 ? 951 GLY A C 1 ATOM 7225 O O . GLY B 2 273 ? -7.969 -2.795 71.925 1.00 75.95 ? 951 GLY A O 1 ATOM 7226 N N . THR B 2 274 ? -8.519 -4.810 72.791 1.00 62.74 ? 952 THR A N 1 ATOM 7227 C CA . THR B 2 274 ? -7.507 -4.725 73.833 1.00 60.18 ? 952 THR A CA 1 ATOM 7228 C C . THR B 2 274 ? -6.116 -4.901 73.232 1.00 53.80 ? 952 THR A C 1 ATOM 7229 O O . THR B 2 274 ? -5.944 -5.511 72.173 1.00 54.65 ? 952 THR A O 1 ATOM 7230 C CB . THR B 2 274 ? -7.762 -5.778 74.914 1.00 62.51 ? 952 THR A CB 1 ATOM 7231 O OG1 . THR B 2 274 ? -6.792 -5.643 75.964 1.00 66.80 ? 952 THR A OG1 1 ATOM 7232 C CG2 . THR B 2 274 ? -7.688 -7.180 74.321 1.00 54.96 ? 952 THR A CG2 1 ATOM 7233 N N . ILE B 2 275 ? -5.115 -4.339 73.914 1.00 52.19 ? 953 ILE A N 1 ATOM 7234 C CA . ILE B 2 275 ? -3.739 -4.447 73.444 1.00 54.50 ? 953 ILE A CA 1 ATOM 7235 C C . ILE B 2 275 ? -3.305 -5.905 73.465 1.00 57.21 ? 953 ILE A C 1 ATOM 7236 O O . ILE B 2 275 ? -3.695 -6.683 74.347 1.00 60.70 ? 953 ILE A O 1 ATOM 7237 C CB . ILE B 2 275 ? -2.798 -3.571 74.291 1.00 55.11 ? 953 ILE A CB 1 ATOM 7238 C CG1 . ILE B 2 275 ? -2.952 -3.896 75.782 1.00 70.64 ? 953 ILE A CG1 1 ATOM 7239 C CG2 . ILE B 2 275 ? -3.066 -2.099 74.027 1.00 51.10 ? 953 ILE A CG2 1 ATOM 7240 C CD1 . ILE B 2 275 ? -2.089 -3.038 76.712 1.00 77.65 ? 953 ILE A CD1 1 ATOM 7241 N N . SER B 2 276 ? -2.495 -6.285 72.479 1.00 53.90 ? 954 SER A N 1 ATOM 7242 C CA . SER B 2 276 ? -2.038 -7.665 72.334 1.00 53.20 ? 954 SER A CA 1 ATOM 7243 C C . SER B 2 276 ? -0.614 -7.623 71.789 1.00 55.20 ? 954 SER A C 1 ATOM 7244 O O . SER B 2 276 ? -0.412 -7.503 70.577 1.00 59.32 ? 954 SER A O 1 ATOM 7245 C CB . SER B 2 276 ? -2.967 -8.456 71.420 1.00 52.36 ? 954 SER A CB 1 ATOM 7246 O OG . SER B 2 276 ? -2.551 -9.804 71.325 1.00 58.78 ? 954 SER A OG 1 ATOM 7247 N N . ARG B 2 277 ? 0.368 -7.718 72.688 1.00 54.40 ? 955 ARG A N 1 ATOM 7248 C CA . ARG B 2 277 ? 1.772 -7.663 72.309 1.00 53.45 ? 955 ARG A CA 1 ATOM 7249 C C . ARG B 2 277 ? 2.509 -8.983 72.470 1.00 56.28 ? 955 ARG A C 1 ATOM 7250 O O . ARG B 2 277 ? 3.542 -9.171 71.821 1.00 57.98 ? 955 ARG A O 1 ATOM 7251 C CB . ARG B 2 277 ? 2.506 -6.589 73.128 1.00 55.69 ? 955 ARG A CB 1 ATOM 7252 C CG . ARG B 2 277 ? 1.930 -5.188 72.982 1.00 59.37 ? 955 ARG A CG 1 ATOM 7253 C CD . ARG B 2 277 ? 2.875 -4.131 73.535 1.00 63.10 ? 955 ARG A CD 1 ATOM 7254 N NE . ARG B 2 277 ? 2.385 -2.778 73.281 1.00 66.22 ? 955 ARG A NE 1 ATOM 7255 C CZ . ARG B 2 277 ? 1.746 -2.028 74.175 1.00 68.16 ? 955 ARG A CZ 1 ATOM 7256 N NH1 . ARG B 2 277 ? 1.520 -2.487 75.399 1.00 68.05 ? 955 ARG A NH1 1 ATOM 7257 N NH2 . ARG B 2 277 ? 1.337 -0.811 73.843 1.00 70.62 ? 955 ARG A NH2 1 ATOM 7258 N N . ARG B 2 278 ? 2.016 -9.894 73.309 1.00 58.14 ? 956 ARG A N 1 ATOM 7259 C CA . ARG B 2 278 ? 2.692 -11.152 73.590 1.00 58.83 ? 956 ARG A CA 1 ATOM 7260 C C . ARG B 2 278 ? 1.699 -12.302 73.558 1.00 59.07 ? 956 ARG A C 1 ATOM 7261 O O . ARG B 2 278 ? 0.505 -12.123 73.811 1.00 64.26 ? 956 ARG A O 1 ATOM 7262 C CB . ARG B 2 278 ? 3.384 -11.139 74.961 1.00 61.25 ? 956 ARG A CB 1 ATOM 7263 C CG . ARG B 2 278 ? 4.555 -10.189 75.066 1.00 68.95 ? 956 ARG A CG 1 ATOM 7264 C CD . ARG B 2 278 ? 5.111 -10.159 76.481 1.00 73.80 ? 956 ARG A CD 1 ATOM 7265 N NE . ARG B 2 278 ? 5.535 -11.478 76.941 1.00 75.36 ? 956 ARG A NE 1 ATOM 7266 C CZ . ARG B 2 278 ? 6.773 -11.948 76.819 1.00 76.69 ? 956 ARG A CZ 1 ATOM 7267 N NH1 . ARG B 2 278 ? 7.711 -11.206 76.246 1.00 77.14 ? 956 ARG A NH1 1 ATOM 7268 N NH2 . ARG B 2 278 ? 7.074 -13.159 77.270 1.00 74.72 ? 956 ARG A NH2 1 ATOM 7269 N N . LYS B 2 279 ? 2.210 -13.489 73.248 1.00 55.10 ? 957 LYS A N 1 ATOM 7270 C CA . LYS B 2 279 ? 1.437 -14.708 73.408 1.00 58.02 ? 957 LYS A CA 1 ATOM 7271 C C . LYS B 2 279 ? 2.391 -15.888 73.474 1.00 55.82 ? 957 LYS A C 1 ATOM 7272 O O . LYS B 2 279 ? 3.448 -15.894 72.835 1.00 55.21 ? 957 LYS A O 1 ATOM 7273 C CB . LYS B 2 279 ? 0.424 -14.914 72.283 1.00 65.64 ? 957 LYS A CB 1 ATOM 7274 C CG . LYS B 2 279 ? -0.537 -16.059 72.572 1.00 76.43 ? 957 LYS A CG 1 ATOM 7275 C CD . LYS B 2 279 ? -1.465 -15.738 73.739 1.00 84.26 ? 957 LYS A CD 1 ATOM 7276 C CE . LYS B 2 279 ? -2.285 -16.955 74.158 1.00 83.60 ? 957 LYS A CE 1 ATOM 7277 N NZ . LYS B 2 279 ? -3.017 -17.570 73.016 1.00 82.51 ? 957 LYS A NZ 1 ATOM 7278 N N . GLU B 2 280 ? 1.996 -16.887 74.257 1.00 55.70 ? 958 GLU A N 1 ATOM 7279 C CA . GLU B 2 280 ? 2.818 -18.048 74.559 1.00 54.84 ? 958 GLU A CA 1 ATOM 7280 C C . GLU B 2 280 ? 2.084 -19.286 74.067 1.00 55.85 ? 958 GLU A C 1 ATOM 7281 O O . GLU B 2 280 ? 0.982 -19.584 74.538 1.00 61.99 ? 958 GLU A O 1 ATOM 7282 C CB . GLU B 2 280 ? 3.091 -18.123 76.065 1.00 57.13 ? 958 GLU A CB 1 ATOM 7283 C CG . GLU B 2 280 ? 4.122 -19.149 76.512 1.00 61.88 ? 958 GLU A CG 1 ATOM 7284 C CD . GLU B 2 280 ? 4.477 -19.003 77.990 1.00 66.62 ? 958 GLU A CD 1 ATOM 7285 O OE1 . GLU B 2 280 ? 4.512 -17.856 78.491 1.00 63.61 ? 958 GLU A OE1 1 ATOM 7286 O OE2 . GLU B 2 280 ? 4.717 -20.035 78.655 1.00 67.61 ? 958 GLU A OE2 1 ATOM 7287 N N . PHE B 2 281 ? 2.680 -19.985 73.103 1.00 54.96 ? 959 PHE A N 1 ATOM 7288 C CA . PHE B 2 281 ? 2.160 -21.267 72.646 1.00 53.36 ? 959 PHE A CA 1 ATOM 7289 C C . PHE B 2 281 ? 2.848 -22.370 73.437 1.00 57.48 ? 959 PHE A C 1 ATOM 7290 O O . PHE B 2 281 ? 4.034 -22.643 73.193 1.00 59.64 ? 959 PHE A O 1 ATOM 7291 C CB . PHE B 2 281 ? 2.407 -21.449 71.158 1.00 46.23 ? 959 PHE A CB 1 ATOM 7292 C CG . PHE B 2 281 ? 1.870 -20.334 70.321 1.00 46.31 ? 959 PHE A CG 1 ATOM 7293 C CD1 . PHE B 2 281 ? 0.598 -20.410 69.782 1.00 48.04 ? 959 PHE A CD1 1 ATOM 7294 C CD2 . PHE B 2 281 ? 2.631 -19.204 70.077 1.00 45.08 ? 959 PHE A CD2 1 ATOM 7295 C CE1 . PHE B 2 281 ? 0.094 -19.383 69.009 1.00 45.28 ? 959 PHE A CE1 1 ATOM 7296 C CE2 . PHE B 2 281 ? 2.132 -18.173 69.306 1.00 48.25 ? 959 PHE A CE2 1 ATOM 7297 C CZ . PHE B 2 281 ? 0.863 -18.264 68.770 1.00 46.42 ? 959 PHE A CZ 1 ATOM 7298 N N . PRO B 2 282 ? 2.171 -23.020 74.377 1.00 58.94 ? 960 PRO A N 1 ATOM 7299 C CA . PRO B 2 282 ? 2.848 -24.026 75.197 1.00 57.72 ? 960 PRO A CA 1 ATOM 7300 C C . PRO B 2 282 ? 3.087 -25.311 74.424 1.00 55.89 ? 960 PRO A C 1 ATOM 7301 O O . PRO B 2 282 ? 2.331 -25.676 73.519 1.00 50.88 ? 960 PRO A O 1 ATOM 7302 C CB . PRO B 2 282 ? 1.878 -24.246 76.362 1.00 55.90 ? 960 PRO A CB 1 ATOM 7303 C CG . PRO B 2 282 ? 0.538 -23.930 75.785 1.00 58.18 ? 960 PRO A CG 1 ATOM 7304 C CD . PRO B 2 282 ? 0.761 -22.839 74.767 1.00 58.48 ? 960 PRO A CD 1 ATOM 7305 N N . TYR B 2 283 ? 4.171 -25.989 74.788 1.00 59.77 ? 961 TYR A N 1 ATOM 7306 C CA . TYR B 2 283 ? 4.515 -27.289 74.225 1.00 60.96 ? 961 TYR A CA 1 ATOM 7307 C C . TYR B 2 283 ? 3.882 -28.365 75.097 1.00 66.46 ? 961 TYR A C 1 ATOM 7308 O O . TYR B 2 283 ? 4.280 -28.549 76.252 1.00 71.51 ? 961 TYR A O 1 ATOM 7309 C CB . TYR B 2 283 ? 6.031 -27.460 74.151 1.00 64.90 ? 961 TYR A CB 1 ATOM 7310 C CG . TYR B 2 283 ? 6.480 -28.832 73.695 1.00 69.80 ? 961 TYR A CG 1 ATOM 7311 C CD1 . TYR B 2 283 ? 6.828 -29.813 74.616 1.00 70.95 ? 961 TYR A CD1 1 ATOM 7312 C CD2 . TYR B 2 283 ? 6.560 -29.145 72.343 1.00 71.44 ? 961 TYR A CD2 1 ATOM 7313 C CE1 . TYR B 2 283 ? 7.241 -31.068 74.204 1.00 74.79 ? 961 TYR A CE1 1 ATOM 7314 C CE2 . TYR B 2 283 ? 6.972 -30.396 71.921 1.00 72.58 ? 961 TYR A CE2 1 ATOM 7315 C CZ . TYR B 2 283 ? 7.311 -31.353 72.855 1.00 76.26 ? 961 TYR A CZ 1 ATOM 7316 O OH . TYR B 2 283 ? 7.722 -32.600 72.440 1.00 79.33 ? 961 TYR A OH 1 ATOM 7317 N N . ARG B 2 284 ? 2.897 -29.071 74.551 1.00 67.37 ? 962 ARG A N 1 ATOM 7318 C CA . ARG B 2 284 ? 2.194 -30.112 75.285 1.00 71.91 ? 962 ARG A CA 1 ATOM 7319 C C . ARG B 2 284 ? 2.206 -31.398 74.473 1.00 70.33 ? 962 ARG A C 1 ATOM 7320 O O . ARG B 2 284 ? 1.815 -31.402 73.302 1.00 72.45 ? 962 ARG A O 1 ATOM 7321 C CB . ARG B 2 284 ? 0.758 -29.683 75.611 1.00 80.50 ? 962 ARG A CB 1 ATOM 7322 C CG . ARG B 2 284 ? 0.535 -29.382 77.092 1.00 92.79 ? 962 ARG A CG 1 ATOM 7323 C CD . ARG B 2 284 ? -0.187 -28.060 77.307 1.00 99.74 ? 962 ARG A CD 1 ATOM 7324 N NE . ARG B 2 284 ? -1.416 -27.974 76.525 1.00 105.77 ? 962 ARG A NE 1 ATOM 7325 C CZ . ARG B 2 284 ? -2.289 -26.976 76.611 1.00 107.69 ? 962 ARG A CZ 1 ATOM 7326 N NH1 . ARG B 2 284 ? -2.073 -25.975 77.453 1.00 110.08 ? 962 ARG A NH1 1 ATOM 7327 N NH2 . ARG B 2 284 ? -3.380 -26.981 75.857 1.00 109.06 ? 962 ARG A NH2 1 ATOM 7328 N N . ILE B 2 285 ? 2.664 -32.476 75.097 1.00 66.25 ? 963 ILE A N 1 ATOM 7329 C CA . ILE B 2 285 ? 2.744 -33.779 74.433 1.00 60.26 ? 963 ILE A CA 1 ATOM 7330 C C . ILE B 2 285 ? 1.372 -34.445 74.489 1.00 56.64 ? 963 ILE A C 1 ATOM 7331 O O . ILE B 2 285 ? 0.815 -34.603 75.585 1.00 53.84 ? 963 ILE A O 1 ATOM 7332 C CB . ILE B 2 285 ? 3.806 -34.654 75.094 1.00 62.17 ? 963 ILE A CB 1 ATOM 7333 C CG1 . ILE B 2 285 ? 5.184 -34.001 74.969 1.00 63.91 ? 963 ILE A CG1 1 ATOM 7334 C CG2 . ILE B 2 285 ? 3.825 -36.039 74.467 1.00 66.07 ? 963 ILE A CG2 1 ATOM 7335 C CD1 . ILE B 2 285 ? 6.292 -34.771 75.650 1.00 67.03 ? 963 ILE A CD1 1 ATOM 7336 N N . PRO B 2 286 ? 0.810 -34.853 73.355 1.00 59.24 ? 964 PRO A N 1 ATOM 7337 C CA . PRO B 2 286 ? -0.496 -35.518 73.370 1.00 63.71 ? 964 PRO A CA 1 ATOM 7338 C C . PRO B 2 286 ? -0.420 -36.873 74.053 1.00 72.80 ? 964 PRO A C 1 ATOM 7339 O O . PRO B 2 286 ? 0.650 -37.395 74.370 1.00 72.95 ? 964 PRO A O 1 ATOM 7340 C CB . PRO B 2 286 ? -0.834 -35.663 71.886 1.00 63.12 ? 964 PRO A CB 1 ATOM 7341 C CG . PRO B 2 286 ? 0.501 -35.726 71.221 1.00 61.88 ? 964 PRO A CG 1 ATOM 7342 C CD . PRO B 2 286 ? 1.373 -34.779 71.998 1.00 59.65 ? 964 PRO A CD 1 ATOM 7343 N N . LEU B 2 287 ? -1.599 -37.455 74.261 1.00 81.87 ? 965 LEU A N 1 ATOM 7344 C CA . LEU B 2 287 ? -1.709 -38.683 75.034 1.00 91.25 ? 965 LEU A CA 1 ATOM 7345 C C . LEU B 2 287 ? -1.109 -39.867 74.287 1.00 88.12 ? 965 LEU A C 1 ATOM 7346 O O . LEU B 2 287 ? -0.081 -40.412 74.703 1.00 93.98 ? 965 LEU A O 1 ATOM 7347 C CB . LEU B 2 287 ? -3.173 -38.955 75.390 1.00 96.53 ? 965 LEU A CB 1 ATOM 7348 C CG . LEU B 2 287 ? -3.454 -40.196 76.242 1.00 97.54 ? 965 LEU A CG 1 ATOM 7349 C CD1 . LEU B 2 287 ? -2.612 -40.200 77.510 1.00 100.81 ? 965 LEU A CD1 1 ATOM 7350 C CD2 . LEU B 2 287 ? -4.934 -40.285 76.581 1.00 97.24 ? 965 LEU A CD2 1 ATOM 7351 N N . ASP B 2 288 ? -1.733 -40.269 73.182 1.00 75.33 ? 966 ASP A N 1 ATOM 7352 C CA . ASP B 2 288 ? -1.320 -41.472 72.462 1.00 69.11 ? 966 ASP A CA 1 ATOM 7353 C C . ASP B 2 288 ? -0.262 -41.190 71.406 1.00 62.24 ? 966 ASP A C 1 ATOM 7354 O O . ASP B 2 288 ? -0.340 -41.725 70.297 1.00 61.33 ? 966 ASP A O 1 ATOM 7355 C CB . ASP B 2 288 ? -2.543 -42.133 71.838 1.00 76.95 ? 966 ASP A CB 1 ATOM 7356 C CG . ASP B 2 288 ? -3.590 -42.513 72.867 1.00 85.74 ? 966 ASP A CG 1 ATOM 7357 O OD1 . ASP B 2 288 ? -3.207 -42.949 73.972 1.00 91.03 ? 966 ASP A OD1 1 ATOM 7358 O OD2 . ASP B 2 288 ? -4.796 -42.373 72.572 1.00 87.78 ? 966 ASP A OD2 1 ATOM 7359 N N . LEU B 2 289 ? 0.738 -40.368 71.717 1.00 53.77 ? 967 LEU A N 1 ATOM 7360 C CA . LEU B 2 289 ? 1.748 -40.012 70.729 1.00 45.63 ? 967 LEU A CA 1 ATOM 7361 C C . LEU B 2 289 ? 2.591 -41.225 70.359 1.00 51.65 ? 967 LEU A C 1 ATOM 7362 O O . LEU B 2 289 ? 3.026 -41.985 71.227 1.00 56.58 ? 967 LEU A O 1 ATOM 7363 C CB . LEU B 2 289 ? 2.653 -38.903 71.264 1.00 41.52 ? 967 LEU A CB 1 ATOM 7364 C CG . LEU B 2 289 ? 3.679 -38.332 70.282 1.00 43.44 ? 967 LEU A CG 1 ATOM 7365 C CD1 . LEU B 2 289 ? 2.978 -37.512 69.216 1.00 47.70 ? 967 LEU A CD1 1 ATOM 7366 C CD2 . LEU B 2 289 ? 4.736 -37.499 70.992 1.00 46.19 ? 967 LEU A CD2 1 ATOM 7367 N N . VAL B 2 290 ? 2.820 -41.401 69.061 1.00 49.13 ? 968 VAL A N 1 ATOM 7368 C CA . VAL B 2 290 ? 3.686 -42.496 68.613 1.00 45.51 ? 968 VAL A CA 1 ATOM 7369 C C . VAL B 2 290 ? 5.079 -42.301 69.199 1.00 49.25 ? 968 VAL A C 1 ATOM 7370 O O . VAL B 2 290 ? 5.624 -41.180 69.143 1.00 56.32 ? 968 VAL A O 1 ATOM 7371 C CB . VAL B 2 290 ? 3.739 -42.546 67.078 1.00 43.77 ? 968 VAL A CB 1 ATOM 7372 C CG1 . VAL B 2 290 ? 4.619 -43.704 66.615 1.00 39.63 ? 968 VAL A CG1 1 ATOM 7373 C CG2 . VAL B 2 290 ? 2.331 -42.659 66.503 1.00 38.07 ? 968 VAL A CG2 1 ATOM 7374 N N . PRO B 2 291 ? 5.693 -43.326 69.782 1.00 49.07 ? 969 PRO A N 1 ATOM 7375 C CA . PRO B 2 291 ? 7.013 -43.138 70.389 1.00 50.15 ? 969 PRO A CA 1 ATOM 7376 C C . PRO B 2 291 ? 8.091 -42.874 69.352 1.00 52.90 ? 969 PRO A C 1 ATOM 7377 O O . PRO B 2 291 ? 7.995 -43.289 68.193 1.00 51.59 ? 969 PRO A O 1 ATOM 7378 C CB . PRO B 2 291 ? 7.262 -44.462 71.124 1.00 50.67 ? 969 PRO A CB 1 ATOM 7379 C CG . PRO B 2 291 ? 6.351 -45.441 70.482 1.00 49.28 ? 969 PRO A CG 1 ATOM 7380 C CD . PRO B 2 291 ? 5.148 -44.669 70.044 1.00 49.96 ? 969 PRO A CD 1 ATOM 7381 N N . LYS B 2 292 ? 9.125 -42.159 69.798 1.00 56.17 ? 970 LYS A N 1 ATOM 7382 C CA . LYS B 2 292 ? 10.269 -41.792 68.965 1.00 59.83 ? 970 LYS A CA 1 ATOM 7383 C C . LYS B 2 292 ? 9.819 -41.079 67.692 1.00 57.58 ? 970 LYS A C 1 ATOM 7384 O O . LYS B 2 292 ? 10.351 -41.305 66.603 1.00 54.95 ? 970 LYS A O 1 ATOM 7385 C CB . LYS B 2 292 ? 11.129 -43.014 68.642 1.00 64.82 ? 970 LYS A CB 1 ATOM 7386 C CG . LYS B 2 292 ? 11.638 -43.746 69.877 1.00 68.42 ? 970 LYS A CG 1 ATOM 7387 C CD . LYS B 2 292 ? 12.802 -44.665 69.540 1.00 74.07 ? 970 LYS A CD 1 ATOM 7388 C CE . LYS B 2 292 ? 14.014 -43.877 69.060 1.00 75.50 ? 970 LYS A CE 1 ATOM 7389 N NZ . LYS B 2 292 ? 15.192 -44.760 68.821 1.00 76.77 ? 970 LYS A NZ 1 ATOM 7390 N N . THR B 2 293 ? 8.813 -40.216 67.835 1.00 55.82 ? 971 THR A N 1 ATOM 7391 C CA . THR B 2 293 ? 8.372 -39.323 66.773 1.00 52.92 ? 971 THR A CA 1 ATOM 7392 C C . THR B 2 293 ? 8.350 -37.901 67.307 1.00 55.21 ? 971 THR A C 1 ATOM 7393 O O . THR B 2 293 ? 7.945 -37.661 68.448 1.00 59.01 ? 971 THR A O 1 ATOM 7394 C CB . THR B 2 293 ? 6.979 -39.687 66.234 1.00 47.40 ? 971 THR A CB 1 ATOM 7395 O OG1 . THR B 2 293 ? 5.996 -39.508 67.262 1.00 48.54 ? 971 THR A OG1 1 ATOM 7396 C CG2 . THR B 2 293 ? 6.950 -41.124 65.747 1.00 44.32 ? 971 THR A CG2 1 ATOM 7397 N N . GLU B 2 294 ? 8.789 -36.964 66.476 1.00 54.68 ? 972 GLU A N 1 ATOM 7398 C CA . GLU B 2 294 ? 8.852 -35.567 66.873 1.00 57.56 ? 972 GLU A CA 1 ATOM 7399 C C . GLU B 2 294 ? 7.493 -34.901 66.701 1.00 58.65 ? 972 GLU A C 1 ATOM 7400 O O . GLU B 2 294 ? 6.758 -35.186 65.752 1.00 60.54 ? 972 GLU A O 1 ATOM 7401 C CB . GLU B 2 294 ? 9.905 -34.830 66.046 1.00 65.03 ? 972 GLU A CB 1 ATOM 7402 C CG . GLU B 2 294 ? 11.321 -35.358 66.216 1.00 74.18 ? 972 GLU A CG 1 ATOM 7403 C CD . GLU B 2 294 ? 12.066 -34.694 67.358 1.00 86.25 ? 972 GLU A CD 1 ATOM 7404 O OE1 . GLU B 2 294 ? 11.410 -34.125 68.257 1.00 89.59 ? 972 GLU A OE1 1 ATOM 7405 O OE2 . GLU B 2 294 ? 13.315 -34.733 67.352 1.00 91.75 ? 972 GLU A OE2 1 ATOM 7406 N N . ILE B 2 295 ? 7.158 -34.016 67.633 1.00 58.06 ? 973 ILE A N 1 ATOM 7407 C CA . ILE B 2 295 ? 5.964 -33.190 67.504 1.00 52.67 ? 973 ILE A CA 1 ATOM 7408 C C . ILE B 2 295 ? 6.304 -32.044 66.561 1.00 54.12 ? 973 ILE A C 1 ATOM 7409 O O . ILE B 2 295 ? 7.119 -31.181 66.892 1.00 57.03 ? 973 ILE A O 1 ATOM 7410 C CB . ILE B 2 295 ? 5.490 -32.665 68.860 1.00 50.26 ? 973 ILE A CB 1 ATOM 7411 C CG1 . ILE B 2 295 ? 5.055 -33.819 69.756 1.00 51.60 ? 973 ILE A CG1 1 ATOM 7412 C CG2 . ILE B 2 295 ? 4.350 -31.694 68.667 1.00 51.91 ? 973 ILE A CG2 1 ATOM 7413 C CD1 . ILE B 2 295 ? 4.637 -33.374 71.129 1.00 50.97 ? 973 ILE A CD1 1 ATOM 7414 N N . LYS B 2 296 ? 5.693 -32.032 65.384 1.00 54.92 ? 974 LYS A N 1 ATOM 7415 C CA . LYS B 2 296 ? 5.987 -30.981 64.424 1.00 56.89 ? 974 LYS A CA 1 ATOM 7416 C C . LYS B 2 296 ? 5.073 -29.790 64.680 1.00 54.23 ? 974 LYS A C 1 ATOM 7417 O O . LYS B 2 296 ? 3.938 -29.949 65.128 1.00 59.15 ? 974 LYS A O 1 ATOM 7418 C CB . LYS B 2 296 ? 5.814 -31.496 62.992 1.00 62.87 ? 974 LYS A CB 1 ATOM 7419 C CG . LYS B 2 296 ? 6.668 -30.773 61.960 1.00 70.46 ? 974 LYS A CG 1 ATOM 7420 C CD . LYS B 2 296 ? 6.351 -31.228 60.539 1.00 76.13 ? 974 LYS A CD 1 ATOM 7421 C CE . LYS B 2 296 ? 4.955 -30.796 60.103 1.00 78.97 ? 974 LYS A CE 1 ATOM 7422 N NZ . LYS B 2 296 ? 4.640 -31.223 58.708 1.00 80.20 ? 974 LYS A NZ 1 ATOM 7423 N N . ARG B 2 297 ? 5.586 -28.586 64.429 1.00 51.78 ? 975 ARG A N 1 ATOM 7424 C CA . ARG B 2 297 ? 4.728 -27.405 64.462 1.00 53.76 ? 975 ARG A CA 1 ATOM 7425 C C . ARG B 2 297 ? 5.360 -26.280 63.653 1.00 53.53 ? 975 ARG A C 1 ATOM 7426 O O . ARG B 2 297 ? 6.547 -25.984 63.815 1.00 58.86 ? 975 ARG A O 1 ATOM 7427 C CB . ARG B 2 297 ? 4.447 -26.948 65.900 1.00 50.75 ? 975 ARG A CB 1 ATOM 7428 C CG . ARG B 2 297 ? 5.615 -27.044 66.847 1.00 52.00 ? 975 ARG A CG 1 ATOM 7429 C CD . ARG B 2 297 ? 5.176 -26.646 68.248 1.00 49.51 ? 975 ARG A CD 1 ATOM 7430 N NE . ARG B 2 297 ? 6.312 -26.530 69.153 1.00 53.51 ? 975 ARG A NE 1 ATOM 7431 C CZ . ARG B 2 297 ? 6.281 -25.899 70.324 1.00 54.81 ? 975 ARG A CZ 1 ATOM 7432 N NH1 . ARG B 2 297 ? 5.166 -25.313 70.743 1.00 49.00 ? 975 ARG A NH1 1 ATOM 7433 N NH2 . ARG B 2 297 ? 7.372 -25.848 71.074 1.00 59.36 ? 975 ARG A NH2 1 ATOM 7434 N N . ILE B 2 298 ? 4.558 -25.660 62.791 1.00 45.85 ? 976 ILE A N 1 ATOM 7435 C CA . ILE B 2 298 ? 4.995 -24.582 61.916 1.00 48.05 ? 976 ILE A CA 1 ATOM 7436 C C . ILE B 2 298 ? 4.420 -23.268 62.423 1.00 44.71 ? 976 ILE A C 1 ATOM 7437 O O . ILE B 2 298 ? 3.269 -23.212 62.876 1.00 43.33 ? 976 ILE A O 1 ATOM 7438 C CB . ILE B 2 298 ? 4.568 -24.841 60.460 1.00 51.47 ? 976 ILE A CB 1 ATOM 7439 C CG1 . ILE B 2 298 ? 4.506 -26.347 60.194 1.00 58.82 ? 976 ILE A CG1 1 ATOM 7440 C CG2 . ILE B 2 298 ? 5.539 -24.169 59.508 1.00 50.94 ? 976 ILE A CG2 1 ATOM 7441 C CD1 . ILE B 2 298 ? 3.954 -26.721 58.836 1.00 63.83 ? 976 ILE A CD1 1 ATOM 7442 N N . LEU B 2 299 ? 5.223 -22.209 62.333 1.00 45.14 ? 977 LEU A N 1 ATOM 7443 C CA . LEU B 2 299 ? 4.848 -20.869 62.768 1.00 44.39 ? 977 LEU A CA 1 ATOM 7444 C C . LEU B 2 299 ? 4.730 -19.942 61.564 1.00 43.69 ? 977 LEU A C 1 ATOM 7445 O O . LEU B 2 299 ? 5.683 -19.800 60.792 1.00 43.80 ? 977 LEU A O 1 ATOM 7446 C CB . LEU B 2 299 ? 5.879 -20.306 63.747 1.00 45.50 ? 977 LEU A CB 1 ATOM 7447 C CG . LEU B 2 299 ? 5.712 -18.817 64.063 1.00 46.75 ? 977 LEU A CG 1 ATOM 7448 C CD1 . LEU B 2 299 ? 4.483 -18.600 64.926 1.00 46.86 ? 977 LEU A CD1 1 ATOM 7449 C CD2 . LEU B 2 299 ? 6.956 -18.256 64.729 1.00 48.70 ? 977 LEU A CD2 1 ATOM 7450 N N . SER B 2 300 ? 3.576 -19.293 61.424 1.00 42.63 ? 978 SER A N 1 ATOM 7451 C CA . SER B 2 300 ? 3.314 -18.369 60.325 1.00 47.60 ? 978 SER A CA 1 ATOM 7452 C C . SER B 2 300 ? 2.868 -17.028 60.887 1.00 49.26 ? 978 SER A C 1 ATOM 7453 O O . SER B 2 300 ? 1.831 -16.945 61.553 1.00 50.52 ? 978 SER A O 1 ATOM 7454 C CB . SER B 2 300 ? 2.249 -18.927 59.379 1.00 48.48 ? 978 SER A CB 1 ATOM 7455 O OG . SER B 2 300 ? 1.877 -17.960 58.415 1.00 51.54 ? 978 SER A OG 1 ATOM 7456 N N . VAL B 2 301 ? 3.631 -15.978 60.603 1.00 50.73 ? 979 VAL A N 1 ATOM 7457 C CA . VAL B 2 301 ? 3.326 -14.632 61.076 1.00 51.47 ? 979 VAL A CA 1 ATOM 7458 C C . VAL B 2 301 ? 3.178 -13.733 59.857 1.00 51.44 ? 979 VAL A C 1 ATOM 7459 O O . VAL B 2 301 ? 4.171 -13.402 59.196 1.00 53.82 ? 979 VAL A O 1 ATOM 7460 C CB . VAL B 2 301 ? 4.404 -14.100 62.026 1.00 50.35 ? 979 VAL A CB 1 ATOM 7461 C CG1 . VAL B 2 301 ? 4.024 -12.721 62.516 1.00 53.22 ? 979 VAL A CG1 1 ATOM 7462 C CG2 . VAL B 2 301 ? 4.591 -15.055 63.195 1.00 50.88 ? 979 VAL A CG2 1 ATOM 7463 N N . LYS B 2 302 ? 1.945 -13.335 59.559 1.00 49.89 ? 980 LYS A N 1 ATOM 7464 C CA . LYS B 2 302 ? 1.643 -12.514 58.396 1.00 48.27 ? 980 LYS A CA 1 ATOM 7465 C C . LYS B 2 302 ? 1.196 -11.124 58.828 1.00 48.42 ? 980 LYS A C 1 ATOM 7466 O O . LYS B 2 302 ? 0.836 -10.883 59.985 1.00 47.24 ? 980 LYS A O 1 ATOM 7467 C CB . LYS B 2 302 ? 0.567 -13.168 57.518 1.00 49.14 ? 980 LYS A CB 1 ATOM 7468 C CG . LYS B 2 302 ? 0.976 -14.498 56.899 1.00 51.00 ? 980 LYS A CG 1 ATOM 7469 C CD . LYS B 2 302 ? 2.208 -14.349 56.023 1.00 52.44 ? 980 LYS A CD 1 ATOM 7470 C CE . LYS B 2 302 ? 2.714 -15.698 55.544 1.00 56.09 ? 980 LYS A CE 1 ATOM 7471 N NZ . LYS B 2 302 ? 3.286 -16.499 56.656 1.00 63.59 ? 980 LYS A NZ 1 ATOM 7472 N N . GLY B 2 303 ? 1.193 -10.215 57.856 1.00 53.85 ? 981 GLY A N 1 ATOM 7473 C CA . GLY B 2 303 ? 1.092 -8.794 58.116 1.00 57.57 ? 981 GLY A CA 1 ATOM 7474 C C . GLY B 2 303 ? -0.284 -8.234 58.408 1.00 65.40 ? 981 GLY A C 1 ATOM 7475 O O . GLY B 2 303 ? -0.411 -7.348 59.255 1.00 82.50 ? 981 GLY A O 1 ATOM 7476 N N . LEU B 2 304 ? -1.320 -8.713 57.724 1.00 57.85 ? 982 LEU A N 1 ATOM 7477 C CA . LEU B 2 304 ? -2.654 -8.135 57.855 1.00 55.80 ? 982 LEU A CA 1 ATOM 7478 C C . LEU B 2 304 ? -3.665 -9.226 58.207 1.00 56.50 ? 982 LEU A C 1 ATOM 7479 O O . LEU B 2 304 ? -3.319 -10.405 58.341 1.00 60.86 ? 982 LEU A O 1 ATOM 7480 C CB . LEU B 2 304 ? -3.057 -7.414 56.564 1.00 57.37 ? 982 LEU A CB 1 ATOM 7481 C CG . LEU B 2 304 ? -2.059 -6.383 56.038 1.00 54.34 ? 982 LEU A CG 1 ATOM 7482 C CD1 . LEU B 2 304 ? -2.420 -5.986 54.624 1.00 54.95 ? 982 LEU A CD1 1 ATOM 7483 C CD2 . LEU B 2 304 ? -2.058 -5.173 56.940 1.00 50.96 ? 982 LEU A CD2 1 ATOM 7484 N N . LEU B 2 305 ? -4.929 -8.813 58.378 1.00 48.19 ? 983 LEU A N 1 ATOM 7485 C CA . LEU B 2 305 ? -6.016 -9.780 58.497 1.00 47.15 ? 983 LEU A CA 1 ATOM 7486 C C . LEU B 2 305 ? -6.142 -10.613 57.237 1.00 47.82 ? 983 LEU A C 1 ATOM 7487 O O . LEU B 2 305 ? -6.463 -11.806 57.298 1.00 49.05 ? 983 LEU A O 1 ATOM 7488 C CB . LEU B 2 305 ? -7.339 -9.072 58.774 1.00 43.89 ? 983 LEU A CB 1 ATOM 7489 C CG . LEU B 2 305 ? -7.472 -8.358 60.102 1.00 45.57 ? 983 LEU A CG 1 ATOM 7490 C CD1 . LEU B 2 305 ? -8.773 -7.596 60.088 1.00 46.43 ? 983 LEU A CD1 1 ATOM 7491 C CD2 . LEU B 2 305 ? -7.457 -9.393 61.198 1.00 48.21 ? 983 LEU A CD2 1 ATOM 7492 N N . VAL B 2 306 ? -5.878 -10.000 56.085 1.00 48.93 ? 984 VAL A N 1 ATOM 7493 C CA . VAL B 2 306 ? -5.892 -10.702 54.828 1.00 45.90 ? 984 VAL A CA 1 ATOM 7494 C C . VAL B 2 306 ? -4.509 -11.257 54.450 1.00 44.93 ? 984 VAL A C 1 ATOM 7495 O O . VAL B 2 306 ? -4.358 -11.826 53.361 1.00 46.86 ? 984 VAL A O 1 ATOM 7496 C CB . VAL B 2 306 ? -6.453 -9.770 53.730 1.00 45.49 ? 984 VAL A CB 1 ATOM 7497 C CG1 . VAL B 2 306 ? -5.383 -8.780 53.224 1.00 48.14 ? 984 VAL A CG1 1 ATOM 7498 C CG2 . VAL B 2 306 ? -7.059 -10.584 52.575 1.00 54.16 ? 984 VAL A CG2 1 ATOM 7499 N N . GLY B 2 307 ? -3.498 -11.152 55.317 1.00 41.16 ? 985 GLY A N 1 ATOM 7500 C CA . GLY B 2 307 ? -2.140 -11.538 54.908 1.00 44.10 ? 985 GLY A CA 1 ATOM 7501 C C . GLY B 2 307 ? -1.966 -13.016 54.586 1.00 47.30 ? 985 GLY A C 1 ATOM 7502 O O . GLY B 2 307 ? -1.158 -13.386 53.734 1.00 51.59 ? 985 GLY A O 1 ATOM 7503 N N . GLU B 2 308 ? -2.702 -13.881 55.284 1.00 47.18 ? 986 GLU A N 1 ATOM 7504 C CA . GLU B 2 308 ? -2.565 -15.312 55.043 1.00 48.24 ? 986 GLU A CA 1 ATOM 7505 C C . GLU B 2 308 ? -3.043 -15.692 53.642 1.00 52.72 ? 986 GLU A C 1 ATOM 7506 O O . GLU B 2 308 ? -2.384 -16.476 52.949 1.00 54.19 ? 986 GLU A O 1 ATOM 7507 C CB . GLU B 2 308 ? -3.327 -16.089 56.109 1.00 46.17 ? 986 GLU A CB 1 ATOM 7508 C CG . GLU B 2 308 ? -2.706 -17.441 56.418 1.00 50.36 ? 986 GLU A CG 1 ATOM 7509 C CD . GLU B 2 308 ? -1.406 -17.333 57.204 1.00 55.36 ? 986 GLU A CD 1 ATOM 7510 O OE1 . GLU B 2 308 ? -1.424 -16.782 58.326 1.00 54.10 ? 986 GLU A OE1 1 ATOM 7511 O OE2 . GLU B 2 308 ? -0.365 -17.803 56.700 1.00 60.01 ? 986 GLU A OE2 1 ATOM 7512 N N . ILE B 2 309 ? -4.175 -15.136 53.201 1.00 52.59 ? 987 ILE A N 1 ATOM 7513 C CA . ILE B 2 309 ? -4.654 -15.409 51.847 1.00 51.39 ? 987 ILE A CA 1 ATOM 7514 C C . ILE B 2 309 ? -3.722 -14.784 50.817 1.00 50.64 ? 987 ILE A C 1 ATOM 7515 O O . ILE B 2 309 ? -3.423 -15.392 49.779 1.00 50.85 ? 987 ILE A O 1 ATOM 7516 C CB . ILE B 2 309 ? -6.096 -14.903 51.676 1.00 53.02 ? 987 ILE A CB 1 ATOM 7517 C CG1 . ILE B 2 309 ? -6.846 -14.999 52.996 1.00 63.44 ? 987 ILE A CG1 1 ATOM 7518 C CG2 . ILE B 2 309 ? -6.826 -15.723 50.638 1.00 49.04 ? 987 ILE A CG2 1 ATOM 7519 C CD1 . ILE B 2 309 ? -7.958 -14.002 53.114 1.00 69.53 ? 987 ILE A CD1 1 ATOM 7520 N N . LEU B 2 310 ? -3.264 -13.555 51.076 1.00 51.55 ? 988 LEU A N 1 ATOM 7521 C CA . LEU B 2 310 ? -2.280 -12.920 50.207 1.00 49.60 ? 988 LEU A CA 1 ATOM 7522 C C . LEU B 2 310 ? -1.072 -13.821 50.009 1.00 52.56 ? 988 LEU A C 1 ATOM 7523 O O . LEU B 2 310 ? -0.626 -14.043 48.880 1.00 53.34 ? 988 LEU A O 1 ATOM 7524 C CB . LEU B 2 310 ? -1.844 -11.576 50.789 1.00 51.11 ? 988 LEU A CB 1 ATOM 7525 C CG . LEU B 2 310 ? -2.872 -10.446 50.802 1.00 54.22 ? 988 LEU A CG 1 ATOM 7526 C CD1 . LEU B 2 310 ? -2.264 -9.201 51.424 1.00 55.01 ? 988 LEU A CD1 1 ATOM 7527 C CD2 . LEU B 2 310 ? -3.370 -10.162 49.395 1.00 51.05 ? 988 LEU A CD2 1 ATOM 7528 N N . SER B 2 311 ? -0.533 -14.359 51.104 1.00 54.42 ? 989 SER A N 1 ATOM 7529 C CA . SER B 2 311 ? 0.609 -15.254 50.990 1.00 53.22 ? 989 SER A CA 1 ATOM 7530 C C . SER B 2 311 ? 0.236 -16.536 50.261 1.00 52.38 ? 989 SER A C 1 ATOM 7531 O O . SER B 2 311 ? 1.051 -17.074 49.506 1.00 53.16 ? 989 SER A O 1 ATOM 7532 C CB . SER B 2 311 ? 1.175 -15.567 52.374 1.00 51.53 ? 989 SER A CB 1 ATOM 7533 O OG . SER B 2 311 ? 2.406 -16.262 52.278 1.00 54.33 ? 989 SER A OG 1 ATOM 7534 N N . ALA B 2 312 ? -0.994 -17.023 50.451 1.00 51.28 ? 990 ALA A N 1 ATOM 7535 C CA . ALA B 2 312 ? -1.410 -18.257 49.789 1.00 46.95 ? 990 ALA A CA 1 ATOM 7536 C C . ALA B 2 312 ? -1.431 -18.100 48.276 1.00 49.63 ? 990 ALA A C 1 ATOM 7537 O O . ALA B 2 312 ? -1.002 -19.002 47.547 1.00 52.31 ? 990 ALA A O 1 ATOM 7538 C CB . ALA B 2 312 ? -2.787 -18.686 50.292 1.00 48.19 ? 990 ALA A CB 1 ATOM 7539 N N . VAL B 2 313 ? -1.933 -16.966 47.783 1.00 49.30 ? 991 VAL A N 1 ATOM 7540 C CA . VAL B 2 313 ? -2.054 -16.778 46.340 1.00 48.76 ? 991 VAL A CA 1 ATOM 7541 C C . VAL B 2 313 ? -0.729 -16.321 45.737 1.00 51.05 ? 991 VAL A C 1 ATOM 7542 O O . VAL B 2 313 ? -0.282 -16.850 44.713 1.00 49.14 ? 991 VAL A O 1 ATOM 7543 C CB . VAL B 2 313 ? -3.195 -15.789 46.024 1.00 46.35 ? 991 VAL A CB 1 ATOM 7544 C CG1 . VAL B 2 313 ? -3.146 -15.358 44.564 1.00 47.63 ? 991 VAL A CG1 1 ATOM 7545 C CG2 . VAL B 2 313 ? -4.541 -16.416 46.336 1.00 42.72 ? 991 VAL A CG2 1 ATOM 7546 N N . LEU B 2 314 ? -0.073 -15.345 46.371 1.00 52.34 ? 992 LEU A N 1 ATOM 7547 C CA . LEU B 2 314 ? 1.104 -14.720 45.779 1.00 53.31 ? 992 LEU A CA 1 ATOM 7548 C C . LEU B 2 314 ? 2.344 -15.604 45.853 1.00 64.97 ? 992 LEU A C 1 ATOM 7549 O O . LEU B 2 314 ? 3.250 -15.456 45.026 1.00 69.93 ? 992 LEU A O 1 ATOM 7550 C CB . LEU B 2 314 ? 1.369 -13.375 46.452 1.00 48.07 ? 992 LEU A CB 1 ATOM 7551 C CG . LEU B 2 314 ? 0.203 -12.387 46.359 1.00 46.81 ? 992 LEU A CG 1 ATOM 7552 C CD1 . LEU B 2 314 ? 0.581 -11.052 46.973 1.00 48.83 ? 992 LEU A CD1 1 ATOM 7553 C CD2 . LEU B 2 314 ? -0.274 -12.205 44.921 1.00 45.68 ? 992 LEU A CD2 1 ATOM 7554 N N . SER B 2 315 ? 2.413 -16.515 46.820 1.00 76.30 ? 993 SER A N 1 ATOM 7555 C CA . SER B 2 315 ? 3.486 -17.502 46.883 1.00 88.85 ? 993 SER A CA 1 ATOM 7556 C C . SER B 2 315 ? 3.011 -18.765 46.174 1.00 101.94 ? 993 SER A C 1 ATOM 7557 O O . SER B 2 315 ? 2.162 -19.497 46.693 1.00 101.28 ? 993 SER A O 1 ATOM 7558 C CB . SER B 2 315 ? 3.879 -17.788 48.328 1.00 89.73 ? 993 SER A CB 1 ATOM 7559 O OG . SER B 2 315 ? 4.264 -16.591 48.983 1.00 93.63 ? 993 SER A OG 1 ATOM 7560 N N . GLN B 2 316 ? 3.568 -19.023 44.988 1.00 114.73 ? 994 GLN A N 1 ATOM 7561 C CA . GLN B 2 316 ? 3.062 -20.040 44.074 1.00 126.00 ? 994 GLN A CA 1 ATOM 7562 C C . GLN B 2 316 ? 3.670 -21.422 44.317 1.00 135.45 ? 994 GLN A C 1 ATOM 7563 O O . GLN B 2 316 ? 3.814 -22.207 43.370 1.00 136.09 ? 994 GLN A O 1 ATOM 7564 C CB . GLN B 2 316 ? 3.298 -19.593 42.628 1.00 126.96 ? 994 GLN A CB 1 ATOM 7565 C CG . GLN B 2 316 ? 2.384 -20.234 41.581 1.00 125.93 ? 994 GLN A CG 1 ATOM 7566 C CD . GLN B 2 316 ? 0.945 -19.768 41.684 1.00 124.41 ? 994 GLN A CD 1 ATOM 7567 O OE1 . GLN B 2 316 ? 0.657 -18.737 42.292 1.00 125.29 ? 994 GLN A OE1 1 ATOM 7568 N NE2 . GLN B 2 316 ? 0.032 -20.528 41.089 1.00 121.56 ? 994 GLN A NE2 1 ATOM 7569 N N . GLU B 2 317 ? 4.029 -21.752 45.559 1.00 144.59 ? 995 GLU A N 1 ATOM 7570 C CA . GLU B 2 317 ? 4.516 -23.101 45.828 1.00 149.76 ? 995 GLU A CA 1 ATOM 7571 C C . GLU B 2 317 ? 3.399 -24.137 45.790 1.00 153.65 ? 995 GLU A C 1 ATOM 7572 O O . GLU B 2 317 ? 3.687 -25.339 45.803 1.00 154.97 ? 995 GLU A O 1 ATOM 7573 C CB . GLU B 2 317 ? 5.238 -23.146 47.177 1.00 151.30 ? 995 GLU A CB 1 ATOM 7574 C CG . GLU B 2 317 ? 6.297 -24.237 47.271 1.00 153.44 ? 995 GLU A CG 1 ATOM 7575 C CD . GLU B 2 317 ? 7.098 -24.381 45.987 1.00 155.63 ? 995 GLU A CD 1 ATOM 7576 O OE1 . GLU B 2 317 ? 6.924 -25.402 45.288 1.00 155.61 ? 995 GLU A OE1 1 ATOM 7577 O OE2 . GLU B 2 317 ? 7.892 -23.468 45.672 1.00 157.10 ? 995 GLU A OE2 1 ATOM 7578 N N . GLY B 2 318 ? 2.145 -23.700 45.739 1.00 149.06 ? 996 GLY A N 1 ATOM 7579 C CA . GLY B 2 318 ? 1.002 -24.574 45.553 1.00 143.69 ? 996 GLY A CA 1 ATOM 7580 C C . GLY B 2 318 ? -0.152 -23.762 44.986 1.00 137.59 ? 996 GLY A C 1 ATOM 7581 O O . GLY B 2 318 ? -0.052 -23.273 43.860 1.00 138.10 ? 996 GLY A O 1 ATOM 7582 N N . ILE B 2 319 ? -1.244 -23.599 45.736 1.00 129.63 ? 997 ILE A N 1 ATOM 7583 C CA . ILE B 2 319 ? -1.474 -24.226 47.039 1.00 117.87 ? 997 ILE A CA 1 ATOM 7584 C C . ILE B 2 319 ? -2.982 -24.235 47.278 1.00 108.83 ? 997 ILE A C 1 ATOM 7585 O O . ILE B 2 319 ? -3.682 -23.300 46.888 1.00 109.38 ? 997 ILE A O 1 ATOM 7586 C CB . ILE B 2 319 ? -0.731 -23.495 48.196 1.00 117.48 ? 997 ILE A CB 1 ATOM 7587 C CG1 . ILE B 2 319 ? -0.996 -24.187 49.539 1.00 117.15 ? 997 ILE A CG1 1 ATOM 7588 C CG2 . ILE B 2 319 ? -1.116 -22.027 48.248 1.00 116.89 ? 997 ILE A CG2 1 ATOM 7589 C CD1 . ILE B 2 319 ? -0.592 -25.651 49.571 1.00 115.49 ? 997 ILE A CD1 1 ATOM 7590 N N . ASN B 2 320 ? -3.488 -25.291 47.905 1.00 98.63 ? 998 ASN A N 1 ATOM 7591 C CA . ASN B 2 320 ? -4.898 -25.374 48.257 1.00 89.68 ? 998 ASN A CA 1 ATOM 7592 C C . ASN B 2 320 ? -5.059 -25.116 49.749 1.00 84.10 ? 998 ASN A C 1 ATOM 7593 O O . ASN B 2 320 ? -4.348 -25.707 50.569 1.00 85.37 ? 998 ASN A O 1 ATOM 7594 C CB . ASN B 2 320 ? -5.484 -26.736 47.876 1.00 85.07 ? 998 ASN A CB 1 ATOM 7595 C CG . ASN B 2 320 ? -6.973 -26.847 48.185 1.00 80.59 ? 998 ASN A CG 1 ATOM 7596 O OD1 . ASN B 2 320 ? -7.624 -25.871 48.565 1.00 81.14 ? 998 ASN A OD1 1 ATOM 7597 N ND2 . ASN B 2 320 ? -7.519 -28.044 48.011 1.00 75.77 ? 998 ASN A ND2 1 ATOM 7598 N N . ILE B 2 321 ? -5.991 -24.224 50.090 1.00 75.96 ? 999 ILE A N 1 ATOM 7599 C CA . ILE B 2 321 ? -6.272 -23.917 51.488 1.00 69.60 ? 999 ILE A CA 1 ATOM 7600 C C . ILE B 2 321 ? -7.116 -24.984 52.164 1.00 70.18 ? 999 ILE A C 1 ATOM 7601 O O . ILE B 2 321 ? -7.322 -24.915 53.382 1.00 76.16 ? 999 ILE A O 1 ATOM 7602 C CB . ILE B 2 321 ? -6.970 -22.549 51.591 1.00 59.82 ? 999 ILE A CB 1 ATOM 7603 C CG1 . ILE B 2 321 ? -8.331 -22.599 50.904 1.00 54.11 ? 999 ILE A CG1 1 ATOM 7604 C CG2 . ILE B 2 321 ? -6.124 -21.478 50.936 1.00 55.10 ? 999 ILE A CG2 1 ATOM 7605 C CD1 . ILE B 2 321 ? -8.970 -21.253 50.775 1.00 52.77 ? 999 ILE A CD1 1 ATOM 7606 N N . LEU B 2 322 ? -7.607 -25.968 51.409 1.00 66.09 ? 1000 LEU A N 1 ATOM 7607 C CA . LEU B 2 322 ? -8.433 -27.063 51.910 1.00 64.42 ? 1000 LEU A CA 1 ATOM 7608 C C . LEU B 2 322 ? -7.948 -28.388 51.335 1.00 65.08 ? 1000 LEU A C 1 ATOM 7609 O O . LEU B 2 322 ? -8.718 -29.175 50.779 1.00 66.49 ? 1000 LEU A O 1 ATOM 7610 C CB . LEU B 2 322 ? -9.910 -26.836 51.574 1.00 62.83 ? 1000 LEU A CB 1 ATOM 7611 C CG . LEU B 2 322 ? -10.551 -25.566 52.151 1.00 60.93 ? 1000 LEU A CG 1 ATOM 7612 C CD1 . LEU B 2 322 ? -11.920 -25.290 51.532 1.00 55.44 ? 1000 LEU A CD1 1 ATOM 7613 C CD2 . LEU B 2 322 ? -10.640 -25.653 53.674 1.00 61.45 ? 1000 LEU A CD2 1 ATOM 7614 N N . THR B 2 323 ? -6.645 -28.651 51.465 1.00 68.80 ? 1001 THR A N 1 ATOM 7615 C CA . THR B 2 323 ? -6.078 -29.876 50.902 1.00 68.89 ? 1001 THR A CA 1 ATOM 7616 C C . THR B 2 323 ? -6.699 -31.122 51.515 1.00 64.42 ? 1001 THR A C 1 ATOM 7617 O O . THR B 2 323 ? -6.779 -32.164 50.853 1.00 65.74 ? 1001 THR A O 1 ATOM 7618 C CB . THR B 2 323 ? -4.562 -29.901 51.096 1.00 72.27 ? 1001 THR A CB 1 ATOM 7619 O OG1 . THR B 2 323 ? -4.246 -29.602 52.461 1.00 82.02 ? 1001 THR A OG1 1 ATOM 7620 C CG2 . THR B 2 323 ? -3.887 -28.887 50.189 1.00 68.58 ? 1001 THR A CG2 1 ATOM 7621 N N . HIS B 2 324 ? -7.149 -31.038 52.769 1.00 60.15 ? 1002 HIS A N 1 ATOM 7622 C CA . HIS B 2 324 ? -7.729 -32.204 53.425 1.00 59.81 ? 1002 HIS A CA 1 ATOM 7623 C C . HIS B 2 324 ? -9.072 -32.593 52.824 1.00 58.03 ? 1002 HIS A C 1 ATOM 7624 O O . HIS B 2 324 ? -9.553 -33.700 53.082 1.00 63.29 ? 1002 HIS A O 1 ATOM 7625 C CB . HIS B 2 324 ? -7.876 -31.946 54.926 1.00 59.03 ? 1002 HIS A CB 1 ATOM 7626 C CG . HIS B 2 324 ? -8.707 -30.745 55.252 1.00 58.26 ? 1002 HIS A CG 1 ATOM 7627 N ND1 . HIS B 2 324 ? -8.300 -29.458 54.970 1.00 58.83 ? 1002 HIS A ND1 1 ATOM 7628 C CD2 . HIS B 2 324 ? -9.921 -30.634 55.839 1.00 55.23 ? 1002 HIS A CD2 1 ATOM 7629 C CE1 . HIS B 2 324 ? -9.229 -28.607 55.364 1.00 56.28 ? 1002 HIS A CE1 1 ATOM 7630 N NE2 . HIS B 2 324 ? -10.223 -29.295 55.896 1.00 54.88 ? 1002 HIS A NE2 1 ATOM 7631 N N . LEU B 2 325 ? -9.676 -31.725 52.033 1.00 50.96 ? 1003 LEU A N 1 ATOM 7632 C CA . LEU B 2 325 ? -10.908 -32.117 51.367 1.00 45.03 ? 1003 LEU A CA 1 ATOM 7633 C C . LEU B 2 325 ? -10.621 -32.539 49.931 1.00 39.31 ? 1003 LEU A C 1 ATOM 7634 O O . LEU B 2 325 ? -9.820 -31.897 49.242 1.00 37.24 ? 1003 LEU A O 1 ATOM 7635 C CB . LEU B 2 325 ? -11.909 -30.964 51.375 1.00 44.74 ? 1003 LEU A CB 1 ATOM 7636 C CG . LEU B 2 325 ? -12.330 -30.462 52.758 1.00 43.38 ? 1003 LEU A CG 1 ATOM 7637 C CD1 . LEU B 2 325 ? -13.351 -29.356 52.625 1.00 47.92 ? 1003 LEU A CD1 1 ATOM 7638 C CD2 . LEU B 2 325 ? -12.898 -31.596 53.583 1.00 40.64 ? 1003 LEU A CD2 1 ATOM 7639 N N . PRO B 2 326 ? -11.238 -33.612 49.449 1.00 38.36 ? 1004 PRO A N 1 ATOM 7640 C CA . PRO B 2 326 ? -10.903 -34.121 48.115 1.00 37.76 ? 1004 PRO A CA 1 ATOM 7641 C C . PRO B 2 326 ? -11.616 -33.363 47.005 1.00 40.49 ? 1004 PRO A C 1 ATOM 7642 O O . PRO B 2 326 ? -12.660 -32.736 47.202 1.00 37.49 ? 1004 PRO A O 1 ATOM 7643 C CB . PRO B 2 326 ? -11.376 -35.579 48.171 1.00 37.26 ? 1004 PRO A CB 1 ATOM 7644 C CG . PRO B 2 326 ? -12.527 -35.549 49.143 1.00 32.79 ? 1004 PRO A CG 1 ATOM 7645 C CD . PRO B 2 326 ? -12.190 -34.484 50.162 1.00 31.17 ? 1004 PRO A CD 1 ATOM 7646 N N . LYS B 2 327 ? -11.024 -33.436 45.814 1.00 46.83 ? 1005 LYS A N 1 ATOM 7647 C CA . LYS B 2 327 ? -11.660 -32.927 44.609 1.00 46.57 ? 1005 LYS A CA 1 ATOM 7648 C C . LYS B 2 327 ? -12.722 -33.910 44.123 1.00 45.36 ? 1005 LYS A C 1 ATOM 7649 O O . LYS B 2 327 ? -12.841 -35.034 44.616 1.00 50.62 ? 1005 LYS A O 1 ATOM 7650 C CB . LYS B 2 327 ? -10.622 -32.680 43.515 1.00 51.42 ? 1005 LYS A CB 1 ATOM 7651 C CG . LYS B 2 327 ? -9.484 -31.767 43.948 1.00 60.62 ? 1005 LYS A CG 1 ATOM 7652 C CD . LYS B 2 327 ? -9.730 -30.305 43.582 1.00 64.40 ? 1005 LYS A CD 1 ATOM 7653 C CE . LYS B 2 327 ? -9.269 -30.004 42.159 1.00 67.32 ? 1005 LYS A CE 1 ATOM 7654 N NZ . LYS B 2 327 ? -9.330 -28.552 41.822 1.00 65.79 ? 1005 LYS A NZ 1 ATOM 7655 N N . GLY B 2 328 ? -13.505 -33.474 43.143 1.00 43.29 ? 1006 GLY A N 1 ATOM 7656 C CA . GLY B 2 328 ? -14.549 -34.313 42.587 1.00 41.66 ? 1006 GLY A CA 1 ATOM 7657 C C . GLY B 2 328 ? -15.834 -33.557 42.330 1.00 43.47 ? 1006 GLY A C 1 ATOM 7658 O O . GLY B 2 328 ? -16.436 -33.681 41.258 1.00 46.27 ? 1006 GLY A O 1 ATOM 7659 N N . SER B 2 329 ? -16.260 -32.774 43.316 1.00 42.03 ? 1007 SER A N 1 ATOM 7660 C CA . SER B 2 329 ? -17.419 -31.908 43.167 1.00 42.32 ? 1007 SER A CA 1 ATOM 7661 C C . SER B 2 329 ? -17.034 -30.597 42.489 1.00 44.16 ? 1007 SER A C 1 ATOM 7662 O O . SER B 2 329 ? -15.895 -30.130 42.593 1.00 44.50 ? 1007 SER A O 1 ATOM 7663 C CB . SER B 2 329 ? -18.042 -31.621 44.530 1.00 42.42 ? 1007 SER A CB 1 ATOM 7664 O OG . SER B 2 329 ? -18.959 -30.543 44.451 1.00 49.66 ? 1007 SER A OG 1 ATOM 7665 N N . ALA B 2 330 ? -18.004 -29.999 41.788 1.00 43.21 ? 1008 ALA A N 1 ATOM 7666 C CA . ALA B 2 330 ? -17.774 -28.693 41.177 1.00 44.39 ? 1008 ALA A CA 1 ATOM 7667 C C . ALA B 2 330 ? -17.487 -27.634 42.227 1.00 41.90 ? 1008 ALA A C 1 ATOM 7668 O O . ALA B 2 330 ? -16.769 -26.656 41.954 1.00 50.21 ? 1008 ALA A O 1 ATOM 7669 C CB . ALA B 2 330 ? -18.981 -28.284 40.339 1.00 43.92 ? 1008 ALA A CB 1 ATOM 7670 N N . GLU B 2 331 ? -18.045 -27.810 43.427 1.00 33.87 ? 1009 GLU A N 1 ATOM 7671 C CA . GLU B 2 331 ? -17.754 -26.894 44.519 1.00 38.83 ? 1009 GLU A CA 1 ATOM 7672 C C . GLU B 2 331 ? -16.253 -26.724 44.698 1.00 39.76 ? 1009 GLU A C 1 ATOM 7673 O O . GLU B 2 331 ? -15.771 -25.615 44.955 1.00 41.53 ? 1009 GLU A O 1 ATOM 7674 C CB . GLU B 2 331 ? -18.403 -27.395 45.810 1.00 36.65 ? 1009 GLU A CB 1 ATOM 7675 C CG . GLU B 2 331 ? -18.215 -26.459 46.985 1.00 41.03 ? 1009 GLU A CG 1 ATOM 7676 C CD . GLU B 2 331 ? -18.964 -26.909 48.219 1.00 46.18 ? 1009 GLU A CD 1 ATOM 7677 O OE1 . GLU B 2 331 ? -19.395 -28.081 48.261 1.00 47.43 ? 1009 GLU A OE1 1 ATOM 7678 O OE2 . GLU B 2 331 ? -19.123 -26.085 49.146 1.00 45.70 ? 1009 GLU A OE2 1 ATOM 7679 N N . ALA B 2 332 ? -15.494 -27.809 44.524 1.00 35.65 ? 1010 ALA A N 1 ATOM 7680 C CA . ALA B 2 332 ? -14.044 -27.725 44.657 1.00 36.45 ? 1010 ALA A CA 1 ATOM 7681 C C . ALA B 2 332 ? -13.440 -26.874 43.550 1.00 41.98 ? 1010 ALA A C 1 ATOM 7682 O O . ALA B 2 332 ? -12.510 -26.092 43.795 1.00 49.07 ? 1010 ALA A O 1 ATOM 7683 C CB . ALA B 2 332 ? -13.442 -29.130 44.656 1.00 26.87 ? 1010 ALA A CB 1 ATOM 7684 N N . GLU B 2 333 ? -13.965 -27.007 42.327 1.00 36.45 ? 1011 GLU A N 1 ATOM 7685 C CA . GLU B 2 333 ? -13.481 -26.201 41.213 1.00 36.99 ? 1011 GLU A CA 1 ATOM 7686 C C . GLU B 2 333 ? -13.727 -24.713 41.438 1.00 37.82 ? 1011 GLU A C 1 ATOM 7687 O O . GLU B 2 333 ? -12.901 -23.887 41.036 1.00 43.10 ? 1011 GLU A O 1 ATOM 7688 C CB . GLU B 2 333 ? -14.133 -26.659 39.907 1.00 37.73 ? 1011 GLU A CB 1 ATOM 7689 C CG . GLU B 2 333 ? -13.827 -28.105 39.516 1.00 38.69 ? 1011 GLU A CG 1 ATOM 7690 C CD . GLU B 2 333 ? -12.358 -28.457 39.671 1.00 44.93 ? 1011 GLU A CD 1 ATOM 7691 O OE1 . GLU B 2 333 ? -12.051 -29.448 40.367 1.00 49.83 ? 1011 GLU A OE1 1 ATOM 7692 O OE2 . GLU B 2 333 ? -11.507 -27.738 39.108 1.00 49.02 ? 1011 GLU A OE2 1 ATOM 7693 N N . LEU B 2 334 ? -14.845 -24.349 42.074 1.00 34.94 ? 1012 LEU A N 1 ATOM 7694 C CA . LEU B 2 334 ? -15.067 -22.937 42.391 1.00 34.04 ? 1012 LEU A CA 1 ATOM 7695 C C . LEU B 2 334 ? -14.181 -22.484 43.549 1.00 38.72 ? 1012 LEU A C 1 ATOM 7696 O O . LEU B 2 334 ? -13.574 -21.395 43.510 1.00 45.11 ? 1012 LEU A O 1 ATOM 7697 C CB . LEU B 2 334 ? -16.540 -22.711 42.709 1.00 33.40 ? 1012 LEU A CB 1 ATOM 7698 C CG . LEU B 2 334 ? -17.494 -22.994 41.546 1.00 35.24 ? 1012 LEU A CG 1 ATOM 7699 C CD1 . LEU B 2 334 ? -18.909 -23.177 42.048 1.00 35.99 ? 1012 LEU A CD1 1 ATOM 7700 C CD2 . LEU B 2 334 ? -17.445 -21.876 40.509 1.00 30.37 ? 1012 LEU A CD2 1 ATOM 7701 N N . MET B 2 335 ? -14.087 -23.314 44.586 1.00 37.14 ? 1013 MET A N 1 ATOM 7702 C CA . MET B 2 335 ? -13.231 -23.003 45.718 1.00 36.33 ? 1013 MET A CA 1 ATOM 7703 C C . MET B 2 335 ? -11.784 -22.798 45.291 1.00 43.77 ? 1013 MET A C 1 ATOM 7704 O O . MET B 2 335 ? -11.044 -22.085 45.977 1.00 46.03 ? 1013 MET A O 1 ATOM 7705 C CB . MET B 2 335 ? -13.347 -24.117 46.760 1.00 37.57 ? 1013 MET A CB 1 ATOM 7706 C CG . MET B 2 335 ? -13.409 -23.628 48.197 1.00 48.32 ? 1013 MET A CG 1 ATOM 7707 S SD . MET B 2 335 ? -14.860 -22.618 48.533 1.00 49.38 ? 1013 MET A SD 1 ATOM 7708 C CE . MET B 2 335 ? -16.107 -23.586 47.701 1.00 48.94 ? 1013 MET A CE 1 ATOM 7709 N N . SER B 2 336 ? -11.367 -23.399 44.164 1.00 40.00 ? 1014 SER A N 1 ATOM 7710 C CA . SER B 2 336 ? -10.011 -23.177 43.669 1.00 40.63 ? 1014 SER A CA 1 ATOM 7711 C C . SER B 2 336 ? -9.795 -21.729 43.248 1.00 45.28 ? 1014 SER A C 1 ATOM 7712 O O . SER B 2 336 ? -8.667 -21.223 43.325 1.00 51.91 ? 1014 SER A O 1 ATOM 7713 C CB . SER B 2 336 ? -9.707 -24.115 42.497 1.00 45.60 ? 1014 SER A CB 1 ATOM 7714 O OG . SER B 2 336 ? -10.483 -23.799 41.350 1.00 49.37 ? 1014 SER A OG 1 ATOM 7715 N N . VAL B 2 337 ? -10.853 -21.048 42.803 1.00 38.85 ? 1015 VAL A N 1 ATOM 7716 C CA . VAL B 2 337 ? -10.737 -19.655 42.381 1.00 38.44 ? 1015 VAL A CA 1 ATOM 7717 C C . VAL B 2 337 ? -11.158 -18.673 43.470 1.00 35.94 ? 1015 VAL A C 1 ATOM 7718 O O . VAL B 2 337 ? -10.946 -17.460 43.301 1.00 30.22 ? 1015 VAL A O 1 ATOM 7719 C CB . VAL B 2 337 ? -11.538 -19.393 41.083 1.00 35.34 ? 1015 VAL A CB 1 ATOM 7720 C CG1 . VAL B 2 337 ? -12.990 -19.064 41.381 1.00 30.17 ? 1015 VAL A CG1 1 ATOM 7721 C CG2 . VAL B 2 337 ? -10.895 -18.279 40.270 1.00 37.25 ? 1015 VAL A CG2 1 ATOM 7722 N N . VAL B 2 338 ? -11.734 -19.146 44.576 1.00 36.92 ? 1016 VAL A N 1 ATOM 7723 C CA . VAL B 2 338 ? -12.102 -18.260 45.692 1.00 38.92 ? 1016 VAL A CA 1 ATOM 7724 C C . VAL B 2 338 ? -10.935 -17.401 46.195 1.00 42.34 ? 1016 VAL A C 1 ATOM 7725 O O . VAL B 2 338 ? -11.060 -16.161 46.240 1.00 46.74 ? 1016 VAL A O 1 ATOM 7726 C CB . VAL B 2 338 ? -12.718 -19.070 46.851 1.00 35.99 ? 1016 VAL A CB 1 ATOM 7727 C CG1 . VAL B 2 338 ? -12.755 -18.248 48.127 1.00 29.76 ? 1016 VAL A CG1 1 ATOM 7728 C CG2 . VAL B 2 338 ? -14.116 -19.543 46.486 1.00 39.44 ? 1016 VAL A CG2 1 ATOM 7729 N N . PRO B 2 339 ? -9.788 -17.985 46.583 1.00 41.22 ? 1017 PRO A N 1 ATOM 7730 C CA . PRO B 2 339 ? -8.711 -17.149 47.149 1.00 37.46 ? 1017 PRO A CA 1 ATOM 7731 C C . PRO B 2 339 ? -8.147 -16.131 46.175 1.00 43.32 ? 1017 PRO A C 1 ATOM 7732 O O . PRO B 2 339 ? -7.916 -14.975 46.558 1.00 44.94 ? 1017 PRO A O 1 ATOM 7733 C CB . PRO B 2 339 ? -7.645 -18.180 47.555 1.00 33.83 ? 1017 PRO A CB 1 ATOM 7734 C CG . PRO B 2 339 ? -8.368 -19.481 47.616 1.00 36.09 ? 1017 PRO A CG 1 ATOM 7735 C CD . PRO B 2 339 ? -9.382 -19.400 46.534 1.00 41.41 ? 1017 PRO A CD 1 ATOM 7736 N N . VAL B 2 340 ? -7.893 -16.533 44.927 1.00 44.16 ? 1018 VAL A N 1 ATOM 7737 C CA . VAL B 2 340 ? -7.394 -15.581 43.937 1.00 42.60 ? 1018 VAL A CA 1 ATOM 7738 C C . VAL B 2 340 ? -8.376 -14.433 43.772 1.00 39.88 ? 1018 VAL A C 1 ATOM 7739 O O . VAL B 2 340 ? -7.980 -13.266 43.636 1.00 38.52 ? 1018 VAL A O 1 ATOM 7740 C CB . VAL B 2 340 ? -7.124 -16.288 42.596 1.00 48.06 ? 1018 VAL A CB 1 ATOM 7741 C CG1 . VAL B 2 340 ? -6.612 -15.294 41.568 1.00 44.95 ? 1018 VAL A CG1 1 ATOM 7742 C CG2 . VAL B 2 340 ? -6.135 -17.421 42.796 1.00 55.76 ? 1018 VAL A CG2 1 ATOM 7743 N N . PHE B 2 341 ? -9.674 -14.737 43.803 1.00 37.79 ? 1019 PHE A N 1 ATOM 7744 C CA . PHE B 2 341 ? -10.654 -13.672 43.654 1.00 37.52 ? 1019 PHE A CA 1 ATOM 7745 C C . PHE B 2 341 ? -10.572 -12.690 44.810 1.00 38.45 ? 1019 PHE A C 1 ATOM 7746 O O . PHE B 2 341 ? -10.551 -11.473 44.600 1.00 35.51 ? 1019 PHE A O 1 ATOM 7747 C CB . PHE B 2 341 ? -12.073 -14.215 43.559 1.00 34.85 ? 1019 PHE A CB 1 ATOM 7748 C CG . PHE B 2 341 ? -13.103 -13.155 43.789 1.00 36.02 ? 1019 PHE A CG 1 ATOM 7749 C CD1 . PHE B 2 341 ? -13.389 -12.226 42.797 1.00 35.11 ? 1019 PHE A CD1 1 ATOM 7750 C CD2 . PHE B 2 341 ? -13.741 -13.041 45.014 1.00 34.26 ? 1019 PHE A CD2 1 ATOM 7751 C CE1 . PHE B 2 341 ? -14.317 -11.229 43.010 1.00 36.08 ? 1019 PHE A CE1 1 ATOM 7752 C CE2 . PHE B 2 341 ? -14.669 -12.044 45.233 1.00 36.08 ? 1019 PHE A CE2 1 ATOM 7753 C CZ . PHE B 2 341 ? -14.958 -11.135 44.231 1.00 37.04 ? 1019 PHE A CZ 1 ATOM 7754 N N . TYR B 2 342 ? -10.557 -13.194 46.044 1.00 39.93 ? 1020 TYR A N 1 ATOM 7755 C CA . TYR B 2 342 ? -10.580 -12.261 47.168 1.00 42.28 ? 1020 TYR A CA 1 ATOM 7756 C C . TYR B 2 342 ? -9.277 -11.479 47.290 1.00 41.66 ? 1020 TYR A C 1 ATOM 7757 O O . TYR B 2 342 ? -9.295 -10.309 47.702 1.00 41.12 ? 1020 TYR A O 1 ATOM 7758 C CB . TYR B 2 342 ? -10.917 -13.004 48.456 1.00 37.15 ? 1020 TYR A CB 1 ATOM 7759 C CG . TYR B 2 342 ? -12.389 -13.320 48.518 1.00 37.25 ? 1020 TYR A CG 1 ATOM 7760 C CD1 . TYR B 2 342 ? -13.312 -12.316 48.759 1.00 33.82 ? 1020 TYR A CD1 1 ATOM 7761 C CD2 . TYR B 2 342 ? -12.861 -14.610 48.294 1.00 36.66 ? 1020 TYR A CD2 1 ATOM 7762 C CE1 . TYR B 2 342 ? -14.663 -12.582 48.800 1.00 33.68 ? 1020 TYR A CE1 1 ATOM 7763 C CE2 . TYR B 2 342 ? -14.219 -14.888 48.335 1.00 35.05 ? 1020 TYR A CE2 1 ATOM 7764 C CZ . TYR B 2 342 ? -15.114 -13.864 48.590 1.00 34.47 ? 1020 TYR A CZ 1 ATOM 7765 O OH . TYR B 2 342 ? -16.465 -14.113 48.635 1.00 38.97 ? 1020 TYR A OH 1 ATOM 7766 N N . VAL B 2 343 ? -8.148 -12.084 46.916 1.00 39.22 ? 1021 VAL A N 1 ATOM 7767 C CA . VAL B 2 343 ? -6.892 -11.340 46.890 1.00 43.18 ? 1021 VAL A CA 1 ATOM 7768 C C . VAL B 2 343 ? -6.965 -10.225 45.855 1.00 49.29 ? 1021 VAL A C 1 ATOM 7769 O O . VAL B 2 343 ? -6.613 -9.070 46.130 1.00 51.60 ? 1021 VAL A O 1 ATOM 7770 C CB . VAL B 2 343 ? -5.709 -12.285 46.623 1.00 41.89 ? 1021 VAL A CB 1 ATOM 7771 C CG1 . VAL B 2 343 ? -4.486 -11.493 46.166 1.00 36.90 ? 1021 VAL A CG1 1 ATOM 7772 C CG2 . VAL B 2 343 ? -5.396 -13.083 47.874 1.00 40.40 ? 1021 VAL A CG2 1 ATOM 7773 N N . PHE B 2 344 ? -7.433 -10.553 44.649 1.00 48.71 ? 1022 PHE A N 1 ATOM 7774 C CA . PHE B 2 344 ? -7.574 -9.529 43.620 1.00 44.58 ? 1022 PHE A CA 1 ATOM 7775 C C . PHE B 2 344 ? -8.523 -8.428 44.074 1.00 41.43 ? 1022 PHE A C 1 ATOM 7776 O O . PHE B 2 344 ? -8.265 -7.243 43.845 1.00 45.11 ? 1022 PHE A O 1 ATOM 7777 C CB . PHE B 2 344 ? -8.065 -10.162 42.317 1.00 45.29 ? 1022 PHE A CB 1 ATOM 7778 C CG . PHE B 2 344 ? -7.794 -9.333 41.101 1.00 42.99 ? 1022 PHE A CG 1 ATOM 7779 C CD1 . PHE B 2 344 ? -8.626 -8.281 40.764 1.00 42.33 ? 1022 PHE A CD1 1 ATOM 7780 C CD2 . PHE B 2 344 ? -6.706 -9.608 40.290 1.00 42.35 ? 1022 PHE A CD2 1 ATOM 7781 C CE1 . PHE B 2 344 ? -8.376 -7.515 39.643 1.00 40.90 ? 1022 PHE A CE1 1 ATOM 7782 C CE2 . PHE B 2 344 ? -6.452 -8.846 39.167 1.00 39.36 ? 1022 PHE A CE2 1 ATOM 7783 C CZ . PHE B 2 344 ? -7.287 -7.799 38.844 1.00 39.06 ? 1022 PHE A CZ 1 ATOM 7784 N N . HIS B 2 345 ? -9.620 -8.803 44.731 1.00 39.01 ? 1023 HIS A N 1 ATOM 7785 C CA . HIS B 2 345 ? -10.599 -7.821 45.185 1.00 40.58 ? 1023 HIS A CA 1 ATOM 7786 C C . HIS B 2 345 ? -9.983 -6.877 46.207 1.00 48.54 ? 1023 HIS A C 1 ATOM 7787 O O . HIS B 2 345 ? -10.223 -5.663 46.167 1.00 50.43 ? 1023 HIS A O 1 ATOM 7788 C CB . HIS B 2 345 ? -11.814 -8.546 45.761 1.00 43.05 ? 1023 HIS A CB 1 ATOM 7789 C CG . HIS B 2 345 ? -12.892 -7.639 46.265 1.00 46.16 ? 1023 HIS A CG 1 ATOM 7790 N ND1 . HIS B 2 345 ? -13.517 -6.706 45.467 1.00 48.12 ? 1023 HIS A ND1 1 ATOM 7791 C CD2 . HIS B 2 345 ? -13.468 -7.536 47.487 1.00 48.97 ? 1023 HIS A CD2 1 ATOM 7792 C CE1 . HIS B 2 345 ? -14.425 -6.061 46.177 1.00 50.89 ? 1023 HIS A CE1 1 ATOM 7793 N NE2 . HIS B 2 345 ? -14.416 -6.545 47.406 1.00 50.91 ? 1023 HIS A NE2 1 ATOM 7794 N N . TYR B 2 346 ? -9.168 -7.416 47.119 1.00 49.42 ? 1024 TYR A N 1 ATOM 7795 C CA . TYR B 2 346 ? -8.453 -6.567 48.066 1.00 47.04 ? 1024 TYR A CA 1 ATOM 7796 C C . TYR B 2 346 ? -7.484 -5.631 47.346 1.00 45.42 ? 1024 TYR A C 1 ATOM 7797 O O . TYR B 2 346 ? -7.513 -4.413 47.552 1.00 43.87 ? 1024 TYR A O 1 ATOM 7798 C CB . TYR B 2 346 ? -7.715 -7.431 49.094 1.00 45.03 ? 1024 TYR A CB 1 ATOM 7799 C CG . TYR B 2 346 ? -6.825 -6.632 50.021 1.00 42.77 ? 1024 TYR A CG 1 ATOM 7800 C CD1 . TYR B 2 346 ? -7.361 -5.913 51.085 1.00 47.05 ? 1024 TYR A CD1 1 ATOM 7801 C CD2 . TYR B 2 346 ? -5.452 -6.584 49.824 1.00 42.02 ? 1024 TYR A CD2 1 ATOM 7802 C CE1 . TYR B 2 346 ? -6.550 -5.169 51.928 1.00 48.99 ? 1024 TYR A CE1 1 ATOM 7803 C CE2 . TYR B 2 346 ? -4.633 -5.844 50.662 1.00 47.87 ? 1024 TYR A CE2 1 ATOM 7804 C CZ . TYR B 2 346 ? -5.187 -5.140 51.711 1.00 53.33 ? 1024 TYR A CZ 1 ATOM 7805 O OH . TYR B 2 346 ? -4.370 -4.404 52.541 1.00 60.01 ? 1024 TYR A OH 1 ATOM 7806 N N . LEU B 2 347 ? -6.625 -6.184 46.485 1.00 46.98 ? 1025 LEU A N 1 ATOM 7807 C CA . LEU B 2 347 ? -5.587 -5.371 45.854 1.00 47.19 ? 1025 LEU A CA 1 ATOM 7808 C C . LEU B 2 347 ? -6.183 -4.290 44.959 1.00 51.24 ? 1025 LEU A C 1 ATOM 7809 O O . LEU B 2 347 ? -5.659 -3.172 44.890 1.00 55.12 ? 1025 LEU A O 1 ATOM 7810 C CB . LEU B 2 347 ? -4.635 -6.259 45.055 1.00 46.74 ? 1025 LEU A CB 1 ATOM 7811 C CG . LEU B 2 347 ? -3.829 -7.275 45.864 1.00 50.08 ? 1025 LEU A CG 1 ATOM 7812 C CD1 . LEU B 2 347 ? -2.877 -8.031 44.960 1.00 52.15 ? 1025 LEU A CD1 1 ATOM 7813 C CD2 . LEU B 2 347 ? -3.068 -6.593 46.991 1.00 51.95 ? 1025 LEU A CD2 1 ATOM 7814 N N . GLU B 2 348 ? -7.283 -4.595 44.276 1.00 48.35 ? 1026 GLU A N 1 ATOM 7815 C CA . GLU B 2 348 ? -7.852 -3.630 43.344 1.00 48.27 ? 1026 GLU A CA 1 ATOM 7816 C C . GLU B 2 348 ? -8.737 -2.615 44.060 1.00 46.55 ? 1026 GLU A C 1 ATOM 7817 O O . GLU B 2 348 ? -8.613 -1.408 43.831 1.00 50.98 ? 1026 GLU A O 1 ATOM 7818 C CB . GLU B 2 348 ? -8.634 -4.353 42.245 1.00 48.90 ? 1026 GLU A CB 1 ATOM 7819 C CG . GLU B 2 348 ? -9.189 -3.427 41.177 1.00 50.89 ? 1026 GLU A CG 1 ATOM 7820 C CD . GLU B 2 348 ? -8.102 -2.702 40.402 1.00 54.49 ? 1026 GLU A CD 1 ATOM 7821 O OE1 . GLU B 2 348 ? -6.953 -3.193 40.379 1.00 57.20 ? 1026 GLU A OE1 1 ATOM 7822 O OE2 . GLU B 2 348 ? -8.395 -1.641 39.814 1.00 54.44 ? 1026 GLU A OE2 1 ATOM 7823 N N . THR B 2 349 ? -9.628 -3.081 44.940 1.00 43.53 ? 1027 THR A N 1 ATOM 7824 C CA . THR B 2 349 ? -10.541 -2.158 45.612 1.00 47.87 ? 1027 THR A CA 1 ATOM 7825 C C . THR B 2 349 ? -9.793 -1.184 46.516 1.00 50.73 ? 1027 THR A C 1 ATOM 7826 O O . THR B 2 349 ? -10.078 0.020 46.510 1.00 52.95 ? 1027 THR A O 1 ATOM 7827 C CB . THR B 2 349 ? -11.583 -2.935 46.414 1.00 46.61 ? 1027 THR A CB 1 ATOM 7828 O OG1 . THR B 2 349 ? -12.350 -3.761 45.529 1.00 48.43 ? 1027 THR A OG1 1 ATOM 7829 C CG2 . THR B 2 349 ? -12.518 -1.975 47.140 1.00 39.90 ? 1027 THR A CG2 1 ATOM 7830 N N . GLY B 2 350 ? -8.833 -1.679 47.298 1.00 49.45 ? 1028 GLY A N 1 ATOM 7831 C CA . GLY B 2 350 ? -8.049 -0.811 48.155 1.00 53.32 ? 1028 GLY A CA 1 ATOM 7832 C C . GLY B 2 350 ? -6.853 -0.157 47.495 1.00 60.55 ? 1028 GLY A C 1 ATOM 7833 O O . GLY B 2 350 ? -6.196 0.676 48.128 1.00 62.63 ? 1028 GLY A O 1 ATOM 7834 N N . ASN B 2 351 ? -6.563 -0.506 46.241 1.00 62.48 ? 1029 ASN A N 1 ATOM 7835 C CA . ASN B 2 351 ? -5.398 0.003 45.519 1.00 65.25 ? 1029 ASN A CA 1 ATOM 7836 C C . ASN B 2 351 ? -4.124 -0.197 46.343 1.00 61.12 ? 1029 ASN A C 1 ATOM 7837 O O . ASN B 2 351 ? -3.506 0.743 46.847 1.00 61.88 ? 1029 ASN A O 1 ATOM 7838 C CB . ASN B 2 351 ? -5.586 1.475 45.136 1.00 74.16 ? 1029 ASN A CB 1 ATOM 7839 C CG . ASN B 2 351 ? -5.858 1.661 43.657 1.00 87.23 ? 1029 ASN A CG 1 ATOM 7840 O OD1 . ASN B 2 351 ? -5.605 0.762 42.851 1.00 91.92 ? 1029 ASN A OD1 1 ATOM 7841 N ND2 . ASN B 2 351 ? -6.367 2.828 43.290 1.00 93.69 ? 1029 ASN A ND2 1 ATOM 7842 N N . HIS B 2 352 ? -3.760 -1.472 46.472 1.00 52.71 ? 1030 HIS A N 1 ATOM 7843 C CA . HIS B 2 352 ? -2.589 -1.885 47.232 1.00 54.42 ? 1030 HIS A CA 1 ATOM 7844 C C . HIS B 2 352 ? -1.580 -2.597 46.342 1.00 57.54 ? 1030 HIS A C 1 ATOM 7845 O O . HIS B 2 352 ? -0.892 -3.520 46.784 1.00 60.64 ? 1030 HIS A O 1 ATOM 7846 C CB . HIS B 2 352 ? -2.998 -2.774 48.410 1.00 51.90 ? 1030 HIS A CB 1 ATOM 7847 C CG . HIS B 2 352 ? -3.902 -2.092 49.390 1.00 52.80 ? 1030 HIS A CG 1 ATOM 7848 N ND1 . HIS B 2 352 ? -5.103 -2.633 49.796 1.00 54.30 ? 1030 HIS A ND1 1 ATOM 7849 C CD2 . HIS B 2 352 ? -3.781 -0.913 50.046 1.00 54.02 ? 1030 HIS A CD2 1 ATOM 7850 C CE1 . HIS B 2 352 ? -5.685 -1.817 50.657 1.00 55.81 ? 1030 HIS A CE1 1 ATOM 7851 N NE2 . HIS B 2 352 ? -4.903 -0.765 50.827 1.00 56.26 ? 1030 HIS A NE2 1 ATOM 7852 N N . TRP B 2 353 ? -1.478 -2.176 45.077 1.00 57.95 ? 1031 TRP A N 1 ATOM 7853 C CA . TRP B 2 353 ? -0.549 -2.818 44.152 1.00 60.09 ? 1031 TRP A CA 1 ATOM 7854 C C . TRP B 2 353 ? 0.905 -2.462 44.426 1.00 65.09 ? 1031 TRP A C 1 ATOM 7855 O O . TRP B 2 353 ? 1.800 -3.116 43.877 1.00 66.35 ? 1031 TRP A O 1 ATOM 7856 C CB . TRP B 2 353 ? -0.913 -2.459 42.711 1.00 56.32 ? 1031 TRP A CB 1 ATOM 7857 C CG . TRP B 2 353 ? -2.260 -2.965 42.319 1.00 51.63 ? 1031 TRP A CG 1 ATOM 7858 C CD1 . TRP B 2 353 ? -3.409 -2.237 42.200 1.00 51.96 ? 1031 TRP A CD1 1 ATOM 7859 C CD2 . TRP B 2 353 ? -2.612 -4.322 42.030 1.00 49.90 ? 1031 TRP A CD2 1 ATOM 7860 N NE1 . TRP B 2 353 ? -4.454 -3.058 41.843 1.00 51.88 ? 1031 TRP A NE1 1 ATOM 7861 C CE2 . TRP B 2 353 ? -3.989 -4.343 41.733 1.00 52.29 ? 1031 TRP A CE2 1 ATOM 7862 C CE3 . TRP B 2 353 ? -1.894 -5.521 41.989 1.00 49.06 ? 1031 TRP A CE3 1 ATOM 7863 C CZ2 . TRP B 2 353 ? -4.663 -5.518 41.398 1.00 51.59 ? 1031 TRP A CZ2 1 ATOM 7864 C CZ3 . TRP B 2 353 ? -2.563 -6.687 41.658 1.00 44.66 ? 1031 TRP A CZ3 1 ATOM 7865 C CH2 . TRP B 2 353 ? -3.933 -6.677 41.367 1.00 46.19 ? 1031 TRP A CH2 1 ATOM 7866 N N . ASN B 2 354 ? 1.159 -1.456 45.264 1.00 69.27 ? 1032 ASN A N 1 ATOM 7867 C CA . ASN B 2 354 ? 2.521 -1.095 45.629 1.00 78.74 ? 1032 ASN A CA 1 ATOM 7868 C C . ASN B 2 354 ? 3.165 -2.103 46.571 1.00 81.13 ? 1032 ASN A C 1 ATOM 7869 O O . ASN B 2 354 ? 4.366 -1.989 46.838 1.00 84.11 ? 1032 ASN A O 1 ATOM 7870 C CB . ASN B 2 354 ? 2.535 0.301 46.258 1.00 83.79 ? 1032 ASN A CB 1 ATOM 7871 C CG . ASN B 2 354 ? 1.448 0.484 47.300 1.00 87.29 ? 1032 ASN A CG 1 ATOM 7872 O OD1 . ASN B 2 354 ? 0.403 -0.162 47.242 1.00 89.88 ? 1032 ASN A OD1 1 ATOM 7873 N ND2 . ASN B 2 354 ? 1.689 1.373 48.257 1.00 88.69 ? 1032 ASN A ND2 1 ATOM 7874 N N . ILE B 2 355 ? 2.406 -3.081 47.073 1.00 82.64 ? 1033 ILE A N 1 ATOM 7875 C CA . ILE B 2 355 ? 2.984 -4.127 47.913 1.00 87.31 ? 1033 ILE A CA 1 ATOM 7876 C C . ILE B 2 355 ? 4.064 -4.885 47.157 1.00 88.21 ? 1033 ILE A C 1 ATOM 7877 O O . ILE B 2 355 ? 5.054 -5.334 47.750 1.00 88.85 ? 1033 ILE A O 1 ATOM 7878 C CB . ILE B 2 355 ? 1.873 -5.068 48.420 1.00 91.05 ? 1033 ILE A CB 1 ATOM 7879 C CG1 . ILE B 2 355 ? 0.898 -4.297 49.310 1.00 94.35 ? 1033 ILE A CG1 1 ATOM 7880 C CG2 . ILE B 2 355 ? 2.461 -6.253 49.176 1.00 92.51 ? 1033 ILE A CG2 1 ATOM 7881 C CD1 . ILE B 2 355 ? -0.257 -5.130 49.806 1.00 97.72 ? 1033 ILE A CD1 1 ATOM 7882 N N . PHE B 2 356 ? 3.906 -5.027 45.844 1.00 88.98 ? 1034 PHE A N 1 ATOM 7883 C CA . PHE B 2 356 ? 4.924 -5.678 45.034 1.00 88.13 ? 1034 PHE A CA 1 ATOM 7884 C C . PHE B 2 356 ? 6.117 -4.750 44.847 1.00 94.11 ? 1034 PHE A C 1 ATOM 7885 O O . PHE B 2 356 ? 5.957 -3.569 44.524 1.00 92.36 ? 1034 PHE A O 1 ATOM 7886 C CB . PHE B 2 356 ? 4.346 -6.077 43.680 1.00 80.05 ? 1034 PHE A CB 1 ATOM 7887 C CG . PHE B 2 356 ? 3.103 -6.909 43.775 1.00 74.85 ? 1034 PHE A CG 1 ATOM 7888 C CD1 . PHE B 2 356 ? 3.184 -8.284 43.914 1.00 73.16 ? 1034 PHE A CD1 1 ATOM 7889 C CD2 . PHE B 2 356 ? 1.852 -6.318 43.722 1.00 75.71 ? 1034 PHE A CD2 1 ATOM 7890 C CE1 . PHE B 2 356 ? 2.038 -9.056 43.998 1.00 72.39 ? 1034 PHE A CE1 1 ATOM 7891 C CE2 . PHE B 2 356 ? 0.702 -7.084 43.807 1.00 74.58 ? 1034 PHE A CE2 1 ATOM 7892 C CZ . PHE B 2 356 ? 0.797 -8.455 43.945 1.00 72.45 ? 1034 PHE A CZ 1 ATOM 7893 N N . HIS B 2 357 ? 7.319 -5.288 45.059 1.00 100.97 ? 1035 HIS A N 1 ATOM 7894 C CA . HIS B 2 357 ? 8.528 -4.503 44.857 1.00 107.66 ? 1035 HIS A CA 1 ATOM 7895 C C . HIS B 2 357 ? 8.854 -4.332 43.382 1.00 107.97 ? 1035 HIS A C 1 ATOM 7896 O O . HIS B 2 357 ? 9.616 -3.428 43.027 1.00 106.31 ? 1035 HIS A O 1 ATOM 7897 C CB . HIS B 2 357 ? 9.709 -5.159 45.574 1.00 114.58 ? 1035 HIS A CB 1 ATOM 7898 C CG . HIS B 2 357 ? 9.386 -5.656 46.949 1.00 119.26 ? 1035 HIS A CG 1 ATOM 7899 N ND1 . HIS B 2 357 ? 8.669 -6.812 47.175 1.00 118.82 ? 1035 HIS A ND1 1 ATOM 7900 C CD2 . HIS B 2 357 ? 9.692 -5.159 48.171 1.00 121.97 ? 1035 HIS A CD2 1 ATOM 7901 C CE1 . HIS B 2 357 ? 8.544 -7.003 48.476 1.00 119.10 ? 1035 HIS A CE1 1 ATOM 7902 N NE2 . HIS B 2 357 ? 9.155 -6.015 49.103 1.00 121.84 ? 1035 HIS A NE2 1 ATOM 7903 N N . SER B 2 358 ? 8.294 -5.178 42.524 1.00 110.52 ? 1036 SER A N 1 ATOM 7904 C CA . SER B 2 358 ? 8.531 -5.122 41.090 1.00 111.27 ? 1036 SER A CA 1 ATOM 7905 C C . SER B 2 358 ? 7.413 -4.314 40.428 1.00 107.80 ? 1036 SER A C 1 ATOM 7906 O O . SER B 2 358 ? 6.758 -3.492 41.075 1.00 107.55 ? 1036 SER A O 1 ATOM 7907 C CB . SER B 2 358 ? 8.644 -6.543 40.529 1.00 111.16 ? 1036 SER A CB 1 ATOM 7908 O OG . SER B 2 358 ? 7.467 -7.291 40.792 1.00 111.68 ? 1036 SER A OG 1 ATOM 7909 N N . ASP B 2 359 ? 7.180 -4.540 39.143 1.00 102.20 ? 1037 ASP A N 1 ATOM 7910 C CA . ASP B 2 359 ? 6.156 -3.799 38.416 1.00 97.05 ? 1037 ASP A CA 1 ATOM 7911 C C . ASP B 2 359 ? 4.769 -4.267 38.835 1.00 85.22 ? 1037 ASP A C 1 ATOM 7912 O O . ASP B 2 359 ? 4.442 -5.447 38.650 1.00 77.85 ? 1037 ASP A O 1 ATOM 7913 C CB . ASP B 2 359 ? 6.339 -3.974 36.913 1.00 100.37 ? 1037 ASP A CB 1 ATOM 7914 C CG . ASP B 2 359 ? 5.295 -3.221 36.107 1.00 102.84 ? 1037 ASP A CG 1 ATOM 7915 O OD1 . ASP B 2 359 ? 4.795 -2.181 36.588 1.00 103.92 ? 1037 ASP A OD1 1 ATOM 7916 O OD2 . ASP B 2 359 ? 4.977 -3.668 34.987 1.00 103.38 ? 1037 ASP A OD2 1 ATOM 7917 N N . PRO B 2 360 ? 3.927 -3.393 39.389 1.00 83.24 ? 1038 PRO A N 1 ATOM 7918 C CA . PRO B 2 360 ? 2.589 -3.839 39.802 1.00 81.98 ? 1038 PRO A CA 1 ATOM 7919 C C . PRO B 2 360 ? 1.695 -4.220 38.637 1.00 77.42 ? 1038 PRO A C 1 ATOM 7920 O O . PRO B 2 360 ? 0.810 -5.068 38.806 1.00 76.52 ? 1038 PRO A O 1 ATOM 7921 C CB . PRO B 2 360 ? 2.034 -2.626 40.566 1.00 84.22 ? 1038 PRO A CB 1 ATOM 7922 C CG . PRO B 2 360 ? 3.239 -1.803 40.919 1.00 85.12 ? 1038 PRO A CG 1 ATOM 7923 C CD . PRO B 2 360 ? 4.190 -2.001 39.784 1.00 84.02 ? 1038 PRO A CD 1 ATOM 7924 N N . LEU B 2 361 ? 1.902 -3.626 37.459 1.00 74.23 ? 1039 LEU A N 1 ATOM 7925 C CA . LEU B 2 361 ? 1.031 -3.909 36.321 1.00 68.31 ? 1039 LEU A CA 1 ATOM 7926 C C . LEU B 2 361 ? 1.185 -5.349 35.843 1.00 65.12 ? 1039 LEU A C 1 ATOM 7927 O O . LEU B 2 361 ? 0.203 -5.987 35.442 1.00 62.12 ? 1039 LEU A O 1 ATOM 7928 C CB . LEU B 2 361 ? 1.328 -2.933 35.188 1.00 71.10 ? 1039 LEU A CB 1 ATOM 7929 C CG . LEU B 2 361 ? 0.145 -2.576 34.292 1.00 75.14 ? 1039 LEU A CG 1 ATOM 7930 C CD1 . LEU B 2 361 ? -0.653 -1.441 34.917 1.00 77.09 ? 1039 LEU A CD1 1 ATOM 7931 C CD2 . LEU B 2 361 ? 0.619 -2.217 32.892 1.00 74.92 ? 1039 LEU A CD2 1 ATOM 7932 N N . ILE B 2 362 ? 2.411 -5.876 35.876 1.00 66.82 ? 1040 ILE A N 1 ATOM 7933 C CA . ILE B 2 362 ? 2.631 -7.270 35.503 1.00 71.42 ? 1040 ILE A CA 1 ATOM 7934 C C . ILE B 2 362 ? 2.016 -8.214 36.532 1.00 71.74 ? 1040 ILE A C 1 ATOM 7935 O O . ILE B 2 362 ? 1.519 -9.292 36.178 1.00 66.40 ? 1040 ILE A O 1 ATOM 7936 C CB . ILE B 2 362 ? 4.137 -7.532 35.315 1.00 73.31 ? 1040 ILE A CB 1 ATOM 7937 C CG1 . ILE B 2 362 ? 4.671 -6.727 34.130 1.00 74.33 ? 1040 ILE A CG1 1 ATOM 7938 C CG2 . ILE B 2 362 ? 4.417 -9.020 35.129 1.00 72.69 ? 1040 ILE A CG2 1 ATOM 7939 C CD1 . ILE B 2 362 ? 6.152 -6.898 33.894 1.00 75.13 ? 1040 ILE A CD1 1 ATOM 7940 N N . GLU B 2 363 ? 2.032 -7.834 37.815 1.00 74.56 ? 1041 GLU A N 1 ATOM 7941 C CA . GLU B 2 363 ? 1.428 -8.680 38.841 1.00 76.44 ? 1041 GLU A CA 1 ATOM 7942 C C . GLU B 2 363 ? -0.092 -8.678 38.731 1.00 71.38 ? 1041 GLU A C 1 ATOM 7943 O O . GLU B 2 363 ? -0.736 -9.721 38.908 1.00 70.78 ? 1041 GLU A O 1 ATOM 7944 C CB . GLU B 2 363 ? 1.867 -8.220 40.232 1.00 81.83 ? 1041 GLU A CB 1 ATOM 7945 C CG . GLU B 2 363 ? 3.374 -8.144 40.416 1.00 89.01 ? 1041 GLU A CG 1 ATOM 7946 C CD . GLU B 2 363 ? 4.054 -9.485 40.240 1.00 92.17 ? 1041 GLU A CD 1 ATOM 7947 O OE1 . GLU B 2 363 ? 3.422 -10.521 40.536 1.00 93.79 ? 1041 GLU A OE1 1 ATOM 7948 O OE2 . GLU B 2 363 ? 5.223 -9.503 39.800 1.00 95.40 ? 1041 GLU A OE2 1 ATOM 7949 N N . LYS B 2 364 ? -0.683 -7.516 38.443 1.00 66.63 ? 1042 LYS A N 1 ATOM 7950 C CA . LYS B 2 364 ? -2.119 -7.463 38.192 1.00 63.75 ? 1042 LYS A CA 1 ATOM 7951 C C . LYS B 2 364 ? -2.482 -8.265 36.948 1.00 71.22 ? 1042 LYS A C 1 ATOM 7952 O O . LYS B 2 364 ? -3.541 -8.905 36.897 1.00 74.69 ? 1042 LYS A O 1 ATOM 7953 C CB . LYS B 2 364 ? -2.573 -6.009 38.060 1.00 52.49 ? 1042 LYS A CB 1 ATOM 7954 C CG . LYS B 2 364 ? -4.062 -5.840 37.816 1.00 48.40 ? 1042 LYS A CG 1 ATOM 7955 C CD . LYS B 2 364 ? -4.457 -4.370 37.768 1.00 50.49 ? 1042 LYS A CD 1 ATOM 7956 C CE . LYS B 2 364 ? -5.933 -4.207 37.418 1.00 54.78 ? 1042 LYS A CE 1 ATOM 7957 N NZ . LYS B 2 364 ? -6.413 -2.799 37.547 1.00 57.77 ? 1042 LYS A NZ 1 ATOM 7958 N N . GLN B 2 365 ? -1.609 -8.252 35.937 1.00 71.46 ? 1043 GLN A N 1 ATOM 7959 C CA . GLN B 2 365 ? -1.802 -9.112 34.774 1.00 72.81 ? 1043 GLN A CA 1 ATOM 7960 C C . GLN B 2 365 ? -1.827 -10.581 35.175 1.00 63.43 ? 1043 GLN A C 1 ATOM 7961 O O . GLN B 2 365 ? -2.762 -11.317 34.833 1.00 63.53 ? 1043 GLN A O 1 ATOM 7962 C CB . GLN B 2 365 ? -0.697 -8.856 33.751 1.00 89.16 ? 1043 GLN A CB 1 ATOM 7963 C CG . GLN B 2 365 ? -1.059 -7.847 32.684 1.00 103.32 ? 1043 GLN A CG 1 ATOM 7964 C CD . GLN B 2 365 ? -1.764 -8.488 31.508 1.00 114.80 ? 1043 GLN A CD 1 ATOM 7965 O OE1 . GLN B 2 365 ? -2.857 -8.074 31.123 1.00 120.80 ? 1043 GLN A OE1 1 ATOM 7966 N NE2 . GLN B 2 365 ? -1.137 -9.505 30.927 1.00 118.87 ? 1043 GLN A NE2 1 ATOM 7967 N N . LYS B 2 366 ? -0.796 -11.027 35.899 1.00 57.27 ? 1044 LYS A N 1 ATOM 7968 C CA . LYS B 2 366 ? -0.722 -12.426 36.303 1.00 57.95 ? 1044 LYS A CA 1 ATOM 7969 C C . LYS B 2 366 ? -1.946 -12.834 37.110 1.00 56.42 ? 1044 LYS A C 1 ATOM 7970 O O . LYS B 2 366 ? -2.518 -13.908 36.886 1.00 57.19 ? 1044 LYS A O 1 ATOM 7971 C CB . LYS B 2 366 ? 0.548 -12.676 37.113 1.00 68.36 ? 1044 LYS A CB 1 ATOM 7972 C CG . LYS B 2 366 ? 1.827 -12.767 36.300 1.00 76.03 ? 1044 LYS A CG 1 ATOM 7973 C CD . LYS B 2 366 ? 2.973 -13.297 37.166 1.00 84.68 ? 1044 LYS A CD 1 ATOM 7974 C CE . LYS B 2 366 ? 2.597 -14.608 37.873 1.00 86.91 ? 1044 LYS A CE 1 ATOM 7975 N NZ . LYS B 2 366 ? 3.661 -15.127 38.790 1.00 84.38 ? 1044 LYS A NZ 1 ATOM 7976 N N . LEU B 2 367 ? -2.365 -11.989 38.053 1.00 52.02 ? 1045 LEU A N 1 ATOM 7977 C CA . LEU B 2 367 ? -3.509 -12.350 38.881 1.00 55.06 ? 1045 LEU A CA 1 ATOM 7978 C C . LEU B 2 367 ? -4.791 -12.380 38.063 1.00 56.43 ? 1045 LEU A C 1 ATOM 7979 O O . LEU B 2 367 ? -5.656 -13.234 38.287 1.00 59.04 ? 1045 LEU A O 1 ATOM 7980 C CB . LEU B 2 367 ? -3.637 -11.388 40.059 1.00 56.17 ? 1045 LEU A CB 1 ATOM 7981 C CG . LEU B 2 367 ? -2.610 -11.591 41.171 1.00 55.51 ? 1045 LEU A CG 1 ATOM 7982 C CD1 . LEU B 2 367 ? -2.923 -10.677 42.346 1.00 59.41 ? 1045 LEU A CD1 1 ATOM 7983 C CD2 . LEU B 2 367 ? -2.573 -13.053 41.602 1.00 52.77 ? 1045 LEU A CD2 1 ATOM 7984 N N . LYS B 2 368 ? -4.930 -11.464 37.106 1.00 56.00 ? 1046 LYS A N 1 ATOM 7985 C CA . LYS B 2 368 ? -6.095 -11.502 36.232 1.00 54.47 ? 1046 LYS A CA 1 ATOM 7986 C C . LYS B 2 368 ? -6.131 -12.802 35.433 1.00 56.24 ? 1046 LYS A C 1 ATOM 7987 O O . LYS B 2 368 ? -7.187 -13.440 35.310 1.00 56.69 ? 1046 LYS A O 1 ATOM 7988 C CB . LYS B 2 368 ? -6.082 -10.284 35.312 1.00 53.89 ? 1046 LYS A CB 1 ATOM 7989 C CG . LYS B 2 368 ? -7.414 -9.944 34.682 1.00 58.04 ? 1046 LYS A CG 1 ATOM 7990 C CD . LYS B 2 368 ? -7.237 -8.813 33.681 1.00 67.45 ? 1046 LYS A CD 1 ATOM 7991 C CE . LYS B 2 368 ? -8.536 -8.453 32.982 1.00 75.42 ? 1046 LYS A CE 1 ATOM 7992 N NZ . LYS B 2 368 ? -9.518 -7.857 33.926 1.00 79.93 ? 1046 LYS A NZ 1 ATOM 7993 N N . LYS B 2 369 ? -4.974 -13.231 34.919 1.00 54.99 ? 1047 LYS A N 1 ATOM 7994 C CA . LYS B 2 369 ? -4.907 -14.463 34.137 1.00 53.66 ? 1047 LYS A CA 1 ATOM 7995 C C . LYS B 2 369 ? -5.243 -15.680 34.992 1.00 50.95 ? 1047 LYS A C 1 ATOM 7996 O O . LYS B 2 369 ? -6.030 -16.542 34.582 1.00 50.48 ? 1047 LYS A O 1 ATOM 7997 C CB . LYS B 2 369 ? -3.518 -14.604 33.511 1.00 57.81 ? 1047 LYS A CB 1 ATOM 7998 C CG . LYS B 2 369 ? -3.358 -15.801 32.586 1.00 63.77 ? 1047 LYS A CG 1 ATOM 7999 C CD . LYS B 2 369 ? -4.084 -15.587 31.266 1.00 70.62 ? 1047 LYS A CD 1 ATOM 8000 C CE . LYS B 2 369 ? -4.019 -16.831 30.390 1.00 74.76 ? 1047 LYS A CE 1 ATOM 8001 N NZ . LYS B 2 369 ? -2.623 -17.306 30.179 1.00 76.72 ? 1047 LYS A NZ 1 ATOM 8002 N N . LYS B 2 370 ? -4.650 -15.770 36.188 1.00 50.73 ? 1048 LYS A N 1 ATOM 8003 C CA . LYS B 2 370 ? -4.961 -16.876 37.093 1.00 47.05 ? 1048 LYS A CA 1 ATOM 8004 C C . LYS B 2 370 ? -6.423 -16.858 37.513 1.00 43.20 ? 1048 LYS A C 1 ATOM 8005 O O . LYS B 2 370 ? -7.020 -17.914 37.750 1.00 40.79 ? 1048 LYS A O 1 ATOM 8006 C CB . LYS B 2 370 ? -4.055 -16.819 38.324 1.00 49.08 ? 1048 LYS A CB 1 ATOM 8007 C CG . LYS B 2 370 ? -2.583 -17.040 38.011 1.00 63.40 ? 1048 LYS A CG 1 ATOM 8008 C CD . LYS B 2 370 ? -1.670 -16.606 39.154 1.00 72.62 ? 1048 LYS A CD 1 ATOM 8009 C CE . LYS B 2 370 ? -1.527 -17.683 40.219 1.00 76.29 ? 1048 LYS A CE 1 ATOM 8010 N NZ . LYS B 2 370 ? -2.709 -17.788 41.118 1.00 78.17 ? 1048 LYS A NZ 1 ATOM 8011 N N . LEU B 2 371 ? -7.015 -15.671 37.607 1.00 37.08 ? 1049 LEU A N 1 ATOM 8012 C CA . LEU B 2 371 ? -8.428 -15.573 37.939 1.00 34.10 ? 1049 LEU A CA 1 ATOM 8013 C C . LEU B 2 371 ? -9.297 -16.119 36.812 1.00 40.68 ? 1049 LEU A C 1 ATOM 8014 O O . LEU B 2 371 ? -10.252 -16.865 37.062 1.00 41.55 ? 1049 LEU A O 1 ATOM 8015 C CB . LEU B 2 371 ? -8.774 -14.119 38.248 1.00 32.44 ? 1049 LEU A CB 1 ATOM 8016 C CG . LEU B 2 371 ? -10.159 -13.843 38.808 1.00 34.55 ? 1049 LEU A CG 1 ATOM 8017 C CD1 . LEU B 2 371 ? -10.356 -14.605 40.112 1.00 35.33 ? 1049 LEU A CD1 1 ATOM 8018 C CD2 . LEU B 2 371 ? -10.323 -12.345 39.007 1.00 38.67 ? 1049 LEU A CD2 1 ATOM 8019 N N . LYS B 2 372 ? -8.976 -15.769 35.562 1.00 44.64 ? 1050 LYS A N 1 ATOM 8020 C CA . LYS B 2 372 ? -9.731 -16.298 34.428 1.00 49.74 ? 1050 LYS A CA 1 ATOM 8021 C C . LYS B 2 372 ? -9.580 -17.811 34.330 1.00 50.61 ? 1050 LYS A C 1 ATOM 8022 O O . LYS B 2 372 ? -10.571 -18.547 34.190 1.00 56.20 ? 1050 LYS A O 1 ATOM 8023 C CB . LYS B 2 372 ? -9.265 -15.624 33.136 1.00 52.77 ? 1050 LYS A CB 1 ATOM 8024 C CG . LYS B 2 372 ? -10.114 -15.945 31.922 1.00 58.56 ? 1050 LYS A CG 1 ATOM 8025 C CD . LYS B 2 372 ? -9.669 -15.145 30.702 1.00 60.44 ? 1050 LYS A CD 1 ATOM 8026 C CE . LYS B 2 372 ? -8.244 -15.494 30.296 1.00 65.07 ? 1050 LYS A CE 1 ATOM 8027 N NZ . LYS B 2 372 ? -7.821 -14.814 29.034 1.00 63.72 ? 1050 LYS A NZ 1 ATOM 8028 N N . GLU B 2 373 ? -8.338 -18.293 34.409 1.00 47.79 ? 1051 GLU A N 1 ATOM 8029 C CA . GLU B 2 373 ? -8.087 -19.727 34.345 1.00 47.95 ? 1051 GLU A CA 1 ATOM 8030 C C . GLU B 2 373 ? -8.815 -20.460 35.460 1.00 47.71 ? 1051 GLU A C 1 ATOM 8031 O O . GLU B 2 373 ? -9.373 -21.541 35.242 1.00 53.82 ? 1051 GLU A O 1 ATOM 8032 C CB . GLU B 2 373 ? -6.584 -19.996 34.412 1.00 53.71 ? 1051 GLU A CB 1 ATOM 8033 C CG . GLU B 2 373 ? -5.804 -19.425 33.234 1.00 60.87 ? 1051 GLU A CG 1 ATOM 8034 C CD . GLU B 2 373 ? -4.308 -19.598 33.389 1.00 67.49 ? 1051 GLU A CD 1 ATOM 8035 O OE1 . GLU B 2 373 ? -3.872 -20.060 34.465 1.00 70.38 ? 1051 GLU A OE1 1 ATOM 8036 O OE2 . GLU B 2 373 ? -3.569 -19.273 32.435 1.00 70.55 ? 1051 GLU A OE2 1 ATOM 8037 N N . GLY B 2 374 ? -8.825 -19.888 36.662 1.00 42.74 ? 1052 GLY A N 1 ATOM 8038 C CA . GLY B 2 374 ? -9.556 -20.513 37.748 1.00 41.61 ? 1052 GLY A CA 1 ATOM 8039 C C . GLY B 2 374 ? -11.046 -20.532 37.484 1.00 44.70 ? 1052 GLY A C 1 ATOM 8040 O O . GLY B 2 374 ? -11.736 -21.502 37.809 1.00 46.82 ? 1052 GLY A O 1 ATOM 8041 N N . MET B 2 375 ? -11.557 -19.471 36.862 1.00 48.32 ? 1053 MET A N 1 ATOM 8042 C CA . MET B 2 375 ? -12.986 -19.400 36.589 1.00 46.58 ? 1053 MET A CA 1 ATOM 8043 C C . MET B 2 375 ? -13.405 -20.409 35.530 1.00 44.29 ? 1053 MET A C 1 ATOM 8044 O O . MET B 2 375 ? -14.567 -20.827 35.504 1.00 44.38 ? 1053 MET A O 1 ATOM 8045 C CB . MET B 2 375 ? -13.366 -17.984 36.159 1.00 50.90 ? 1053 MET A CB 1 ATOM 8046 C CG . MET B 2 375 ? -14.851 -17.677 36.256 1.00 57.40 ? 1053 MET A CG 1 ATOM 8047 S SD . MET B 2 375 ? -15.463 -17.558 37.953 1.00 65.96 ? 1053 MET A SD 1 ATOM 8048 C CE . MET B 2 375 ? -16.171 -19.183 38.206 1.00 61.58 ? 1053 MET A CE 1 ATOM 8049 N N . LEU B 2 376 ? -12.482 -20.816 34.654 1.00 43.12 ? 1054 LEU A N 1 ATOM 8050 C CA . LEU B 2 376 ? -12.835 -21.809 33.643 1.00 46.00 ? 1054 LEU A CA 1 ATOM 8051 C C . LEU B 2 376 ? -12.971 -23.215 34.222 1.00 52.26 ? 1054 LEU A C 1 ATOM 8052 O O . LEU B 2 376 ? -13.563 -24.084 33.573 1.00 55.38 ? 1054 LEU A O 1 ATOM 8053 C CB . LEU B 2 376 ? -11.795 -21.810 32.519 1.00 45.85 ? 1054 LEU A CB 1 ATOM 8054 C CG . LEU B 2 376 ? -12.105 -22.667 31.287 1.00 47.46 ? 1054 LEU A CG 1 ATOM 8055 C CD1 . LEU B 2 376 ? -13.446 -22.270 30.676 1.00 47.68 ? 1054 LEU A CD1 1 ATOM 8056 C CD2 . LEU B 2 376 ? -10.983 -22.583 30.257 1.00 46.61 ? 1054 LEU A CD2 1 ATOM 8057 N N . SER B 2 377 ? -12.460 -23.455 35.431 1.00 54.74 ? 1055 SER A N 1 ATOM 8058 C CA . SER B 2 377 ? -12.388 -24.818 35.953 1.00 52.90 ? 1055 SER A CA 1 ATOM 8059 C C . SER B 2 377 ? -13.757 -25.471 36.057 1.00 46.38 ? 1055 SER A C 1 ATOM 8060 O O . SER B 2 377 ? -13.858 -26.702 36.012 1.00 43.28 ? 1055 SER A O 1 ATOM 8061 C CB . SER B 2 377 ? -11.712 -24.827 37.324 1.00 54.55 ? 1055 SER A CB 1 ATOM 8062 O OG . SER B 2 377 ? -10.388 -24.333 37.241 1.00 61.61 ? 1055 SER A OG 1 ATOM 8063 N N . ILE B 2 378 ? -14.820 -24.676 36.202 1.00 43.83 ? 1056 ILE A N 1 ATOM 8064 C CA . ILE B 2 378 ? -16.136 -25.249 36.470 1.00 40.64 ? 1056 ILE A CA 1 ATOM 8065 C C . ILE B 2 378 ? -16.938 -25.501 35.203 1.00 41.17 ? 1056 ILE A C 1 ATOM 8066 O O . ILE B 2 378 ? -18.006 -26.130 35.275 1.00 38.86 ? 1056 ILE A O 1 ATOM 8067 C CB . ILE B 2 378 ? -16.938 -24.351 37.434 1.00 38.42 ? 1056 ILE A CB 1 ATOM 8068 C CG1 . ILE B 2 378 ? -18.049 -25.162 38.107 1.00 44.82 ? 1056 ILE A CG1 1 ATOM 8069 C CG2 . ILE B 2 378 ? -17.499 -23.134 36.710 1.00 31.38 ? 1056 ILE A CG2 1 ATOM 8070 C CD1 . ILE B 2 378 ? -19.205 -24.339 38.579 1.00 49.66 ? 1056 ILE A CD1 1 ATOM 8071 N N . MET B 2 379 ? -16.442 -25.064 34.039 1.00 38.93 ? 1057 MET A N 1 ATOM 8072 C CA . MET B 2 379 ? -17.218 -25.178 32.807 1.00 42.00 ? 1057 MET A CA 1 ATOM 8073 C C . MET B 2 379 ? -17.601 -26.624 32.501 1.00 43.83 ? 1057 MET A C 1 ATOM 8074 O O . MET B 2 379 ? -18.668 -26.868 31.929 1.00 47.06 ? 1057 MET A O 1 ATOM 8075 C CB . MET B 2 379 ? -16.440 -24.569 31.640 1.00 40.01 ? 1057 MET A CB 1 ATOM 8076 C CG . MET B 2 379 ? -17.252 -24.402 30.363 1.00 39.21 ? 1057 MET A CG 1 ATOM 8077 S SD . MET B 2 379 ? -18.560 -23.162 30.471 1.00 47.28 ? 1057 MET A SD 1 ATOM 8078 C CE . MET B 2 379 ? -17.586 -21.671 30.627 1.00 52.16 ? 1057 MET A CE 1 ATOM 8079 N N . SER B 2 380 ? -16.762 -27.593 32.893 1.00 41.57 ? 1058 SER A N 1 ATOM 8080 C CA . SER B 2 380 ? -17.076 -29.004 32.660 1.00 43.43 ? 1058 SER A CA 1 ATOM 8081 C C . SER B 2 380 ? -18.385 -29.416 33.316 1.00 47.06 ? 1058 SER A C 1 ATOM 8082 O O . SER B 2 380 ? -19.091 -30.288 32.799 1.00 49.75 ? 1058 SER A O 1 ATOM 8083 C CB . SER B 2 380 ? -15.958 -29.903 33.190 1.00 39.74 ? 1058 SER A CB 1 ATOM 8084 O OG . SER B 2 380 ? -14.682 -29.381 32.888 1.00 46.65 ? 1058 SER A OG 1 ATOM 8085 N N . TYR B 2 381 ? -18.715 -28.824 34.459 1.00 44.39 ? 1059 TYR A N 1 ATOM 8086 C CA . TYR B 2 381 ? -19.900 -29.203 35.212 1.00 41.13 ? 1059 TYR A CA 1 ATOM 8087 C C . TYR B 2 381 ? -21.161 -28.476 34.752 1.00 44.80 ? 1059 TYR A C 1 ATOM 8088 O O . TYR B 2 381 ? -22.207 -28.619 35.395 1.00 43.90 ? 1059 TYR A O 1 ATOM 8089 C CB . TYR B 2 381 ? -19.672 -28.952 36.703 1.00 35.26 ? 1059 TYR A CB 1 ATOM 8090 C CG . TYR B 2 381 ? -18.579 -29.800 37.318 1.00 35.79 ? 1059 TYR A CG 1 ATOM 8091 C CD1 . TYR B 2 381 ? -17.243 -29.438 37.202 1.00 37.96 ? 1059 TYR A CD1 1 ATOM 8092 C CD2 . TYR B 2 381 ? -18.886 -30.954 38.030 1.00 34.28 ? 1059 TYR A CD2 1 ATOM 8093 C CE1 . TYR B 2 381 ? -16.242 -30.206 37.769 1.00 38.51 ? 1059 TYR A CE1 1 ATOM 8094 C CE2 . TYR B 2 381 ? -17.893 -31.726 38.601 1.00 36.62 ? 1059 TYR A CE2 1 ATOM 8095 C CZ . TYR B 2 381 ? -16.571 -31.348 38.467 1.00 40.11 ? 1059 TYR A CZ 1 ATOM 8096 O OH . TYR B 2 381 ? -15.571 -32.108 39.031 1.00 40.66 ? 1059 TYR A OH 1 ATOM 8097 N N . ARG B 2 382 ? -21.095 -27.709 33.665 1.00 44.32 ? 1060 ARG A N 1 ATOM 8098 C CA . ARG B 2 382 ? -22.254 -26.986 33.154 1.00 39.91 ? 1060 ARG A CA 1 ATOM 8099 C C . ARG B 2 382 ? -22.916 -27.783 32.039 1.00 40.14 ? 1060 ARG A C 1 ATOM 8100 O O . ARG B 2 382 ? -22.238 -28.289 31.140 1.00 41.82 ? 1060 ARG A O 1 ATOM 8101 C CB . ARG B 2 382 ? -21.877 -25.596 32.641 1.00 37.53 ? 1060 ARG A CB 1 ATOM 8102 C CG . ARG B 2 382 ? -23.102 -24.742 32.315 1.00 38.20 ? 1060 ARG A CG 1 ATOM 8103 C CD . ARG B 2 382 ? -22.738 -23.323 31.933 1.00 42.18 ? 1060 ARG A CD 1 ATOM 8104 N NE . ARG B 2 382 ? -22.166 -23.250 30.594 1.00 46.78 ? 1060 ARG A NE 1 ATOM 8105 C CZ . ARG B 2 382 ? -21.782 -22.120 30.015 1.00 44.44 ? 1060 ARG A CZ 1 ATOM 8106 N NH1 . ARG B 2 382 ? -21.910 -20.974 30.666 1.00 38.90 ? 1060 ARG A NH1 1 ATOM 8107 N NH2 . ARG B 2 382 ? -21.269 -22.136 28.792 1.00 45.23 ? 1060 ARG A NH2 1 ATOM 8108 N N . ASN B 2 383 ? -24.240 -27.878 32.099 1.00 40.05 ? 1061 ASN A N 1 ATOM 8109 C CA . ASN B 2 383 ? -25.018 -28.606 31.116 1.00 42.20 ? 1061 ASN A CA 1 ATOM 8110 C C . ASN B 2 383 ? -25.369 -27.693 29.944 1.00 48.39 ? 1061 ASN A C 1 ATOM 8111 O O . ASN B 2 383 ? -25.079 -26.494 29.945 1.00 50.44 ? 1061 ASN A O 1 ATOM 8112 C CB . ASN B 2 383 ? -26.273 -29.184 31.763 1.00 41.14 ? 1061 ASN A CB 1 ATOM 8113 C CG . ASN B 2 383 ? -25.958 -30.038 32.969 1.00 42.88 ? 1061 ASN A CG 1 ATOM 8114 O OD1 . ASN B 2 383 ? -25.501 -31.172 32.835 1.00 47.31 ? 1061 ASN A OD1 1 ATOM 8115 N ND2 . ASN B 2 383 ? -26.197 -29.497 34.158 1.00 42.01 ? 1061 ASN A ND2 1 ATOM 8116 N N . ALA B 2 384 ? -26.011 -28.274 28.927 1.00 47.95 ? 1062 ALA A N 1 ATOM 8117 C CA . ALA B 2 384 ? -26.316 -27.519 27.717 1.00 41.62 ? 1062 ALA A CA 1 ATOM 8118 C C . ALA B 2 384 ? -27.279 -26.374 27.996 1.00 42.49 ? 1062 ALA A C 1 ATOM 8119 O O . ALA B 2 384 ? -27.205 -25.328 27.338 1.00 41.33 ? 1062 ALA A O 1 ATOM 8120 C CB . ALA B 2 384 ? -26.892 -28.446 26.648 1.00 37.35 ? 1062 ALA A CB 1 ATOM 8121 N N . ASP B 2 385 ? -28.179 -26.544 28.964 1.00 40.25 ? 1063 ASP A N 1 ATOM 8122 C CA . ASP B 2 385 ? -29.130 -25.504 29.326 1.00 40.28 ? 1063 ASP A CA 1 ATOM 8123 C C . ASP B 2 385 ? -28.559 -24.515 30.338 1.00 45.28 ? 1063 ASP A C 1 ATOM 8124 O O . ASP B 2 385 ? -29.324 -23.776 30.966 1.00 51.66 ? 1063 ASP A O 1 ATOM 8125 C CB . ASP B 2 385 ? -30.422 -26.131 29.857 1.00 39.12 ? 1063 ASP A CB 1 ATOM 8126 C CG . ASP B 2 385 ? -30.216 -26.893 31.151 1.00 48.31 ? 1063 ASP A CG 1 ATOM 8127 O OD1 . ASP B 2 385 ? -29.056 -27.219 31.480 1.00 52.15 ? 1063 ASP A OD1 1 ATOM 8128 O OD2 . ASP B 2 385 ? -31.223 -27.173 31.837 1.00 51.94 ? 1063 ASP A OD2 1 ATOM 8129 N N . TYR B 2 386 ? -27.234 -24.493 30.507 1.00 41.59 ? 1064 TYR A N 1 ATOM 8130 C CA . TYR B 2 386 ? -26.500 -23.557 31.358 1.00 41.37 ? 1064 TYR A CA 1 ATOM 8131 C C . TYR B 2 386 ? -26.774 -23.753 32.844 1.00 45.33 ? 1064 TYR A C 1 ATOM 8132 O O . TYR B 2 386 ? -26.415 -22.888 33.654 1.00 45.10 ? 1064 TYR A O 1 ATOM 8133 C CB . TYR B 2 386 ? -26.771 -22.100 30.963 1.00 39.11 ? 1064 TYR A CB 1 ATOM 8134 C CG . TYR B 2 386 ? -26.310 -21.768 29.556 1.00 41.78 ? 1064 TYR A CG 1 ATOM 8135 C CD1 . TYR B 2 386 ? -27.124 -22.020 28.459 1.00 37.13 ? 1064 TYR A CD1 1 ATOM 8136 C CD2 . TYR B 2 386 ? -25.056 -21.214 29.325 1.00 41.14 ? 1064 TYR A CD2 1 ATOM 8137 C CE1 . TYR B 2 386 ? -26.708 -21.721 27.177 1.00 41.05 ? 1064 TYR A CE1 1 ATOM 8138 C CE2 . TYR B 2 386 ? -24.630 -20.914 28.043 1.00 39.59 ? 1064 TYR A CE2 1 ATOM 8139 C CZ . TYR B 2 386 ? -25.461 -21.169 26.973 1.00 41.30 ? 1064 TYR A CZ 1 ATOM 8140 O OH . TYR B 2 386 ? -25.049 -20.871 25.692 1.00 38.35 ? 1064 TYR A OH 1 ATOM 8141 N N . SER B 2 387 ? -27.398 -24.862 33.229 1.00 46.55 ? 1065 SER A N 1 ATOM 8142 C CA . SER B 2 387 ? -27.431 -25.259 34.625 1.00 44.94 ? 1065 SER A CA 1 ATOM 8143 C C . SER B 2 387 ? -26.116 -25.935 34.995 1.00 41.14 ? 1065 SER A C 1 ATOM 8144 O O . SER B 2 387 ? -25.296 -26.270 34.138 1.00 43.13 ? 1065 SER A O 1 ATOM 8145 C CB . SER B 2 387 ? -28.597 -26.203 34.889 1.00 50.24 ? 1065 SER A CB 1 ATOM 8146 O OG . SER B 2 387 ? -28.432 -27.409 34.166 1.00 52.15 ? 1065 SER A OG 1 ATOM 8147 N N . TYR B 2 388 ? -25.919 -26.152 36.288 1.00 36.53 ? 1066 TYR A N 1 ATOM 8148 C CA . TYR B 2 388 ? -24.697 -26.770 36.779 1.00 37.76 ? 1066 TYR A CA 1 ATOM 8149 C C . TYR B 2 388 ? -25.021 -28.011 37.598 1.00 41.40 ? 1066 TYR A C 1 ATOM 8150 O O . TYR B 2 388 ? -26.034 -28.057 38.305 1.00 42.06 ? 1066 TYR A O 1 ATOM 8151 C CB . TYR B 2 388 ? -23.884 -25.789 37.616 1.00 40.47 ? 1066 TYR A CB 1 ATOM 8152 C CG . TYR B 2 388 ? -23.252 -24.668 36.823 1.00 39.17 ? 1066 TYR A CG 1 ATOM 8153 C CD1 . TYR B 2 388 ? -21.961 -24.787 36.326 1.00 36.98 ? 1066 TYR A CD1 1 ATOM 8154 C CD2 . TYR B 2 388 ? -23.940 -23.483 36.586 1.00 37.75 ? 1066 TYR A CD2 1 ATOM 8155 C CE1 . TYR B 2 388 ? -21.370 -23.758 35.609 1.00 37.36 ? 1066 TYR A CE1 1 ATOM 8156 C CE2 . TYR B 2 388 ? -23.359 -22.450 35.871 1.00 38.50 ? 1066 TYR A CE2 1 ATOM 8157 C CZ . TYR B 2 388 ? -22.076 -22.592 35.384 1.00 37.90 ? 1066 TYR A CZ 1 ATOM 8158 O OH . TYR B 2 388 ? -21.500 -21.564 34.674 1.00 38.01 ? 1066 TYR A OH 1 ATOM 8159 N N . SER B 2 389 ? -24.147 -29.008 37.501 1.00 38.71 ? 1067 SER A N 1 ATOM 8160 C CA . SER B 2 389 ? -24.293 -30.277 38.198 1.00 38.10 ? 1067 SER A CA 1 ATOM 8161 C C . SER B 2 389 ? -23.208 -30.411 39.259 1.00 39.91 ? 1067 SER A C 1 ATOM 8162 O O . SER B 2 389 ? -22.062 -30.003 39.039 1.00 42.92 ? 1067 SER A O 1 ATOM 8163 C CB . SER B 2 389 ? -24.208 -31.451 37.215 1.00 34.24 ? 1067 SER A CB 1 ATOM 8164 O OG . SER B 2 389 ? -25.205 -31.355 36.216 1.00 38.27 ? 1067 SER A OG 1 ATOM 8165 N N . VAL B 2 390 ? -23.571 -30.983 40.411 1.00 35.24 ? 1068 VAL A N 1 ATOM 8166 C CA . VAL B 2 390 ? -22.586 -31.208 41.468 1.00 34.23 ? 1068 VAL A CA 1 ATOM 8167 C C . VAL B 2 390 ? -21.532 -32.201 41.000 1.00 34.95 ? 1068 VAL A C 1 ATOM 8168 O O . VAL B 2 390 ? -20.328 -32.003 41.203 1.00 38.18 ? 1068 VAL A O 1 ATOM 8169 C CB . VAL B 2 390 ? -23.279 -31.686 42.759 1.00 37.01 ? 1068 VAL A CB 1 ATOM 8170 C CG1 . VAL B 2 390 ? -22.241 -32.068 43.810 1.00 35.93 ? 1068 VAL A CG1 1 ATOM 8171 C CG2 . VAL B 2 390 ? -24.221 -30.616 43.293 1.00 30.15 ? 1068 VAL A CG2 1 ATOM 8172 N N . TRP B 2 391 ? -21.967 -33.276 40.359 1.00 33.43 ? 1069 TRP A N 1 ATOM 8173 C CA . TRP B 2 391 ? -21.082 -34.312 39.850 1.00 34.82 ? 1069 TRP A CA 1 ATOM 8174 C C . TRP B 2 391 ? -21.106 -34.288 38.330 1.00 37.47 ? 1069 TRP A C 1 ATOM 8175 O O . TRP B 2 391 ? -22.180 -34.196 37.725 1.00 37.72 ? 1069 TRP A O 1 ATOM 8176 C CB . TRP B 2 391 ? -21.509 -35.677 40.380 1.00 33.51 ? 1069 TRP A CB 1 ATOM 8177 C CG . TRP B 2 391 ? -21.807 -35.617 41.837 1.00 35.54 ? 1069 TRP A CG 1 ATOM 8178 C CD1 . TRP B 2 391 ? -23.038 -35.628 42.422 1.00 32.60 ? 1069 TRP A CD1 1 ATOM 8179 C CD2 . TRP B 2 391 ? -20.854 -35.500 42.901 1.00 32.11 ? 1069 TRP A CD2 1 ATOM 8180 N NE1 . TRP B 2 391 ? -22.910 -35.547 43.785 1.00 35.53 ? 1069 TRP A NE1 1 ATOM 8181 C CE2 . TRP B 2 391 ? -21.580 -35.464 44.106 1.00 32.61 ? 1069 TRP A CE2 1 ATOM 8182 C CE3 . TRP B 2 391 ? -19.458 -35.431 42.951 1.00 32.12 ? 1069 TRP A CE3 1 ATOM 8183 C CZ2 . TRP B 2 391 ? -20.959 -35.359 45.351 1.00 36.15 ? 1069 TRP A CZ2 1 ATOM 8184 C CZ3 . TRP B 2 391 ? -18.842 -35.329 44.189 1.00 36.60 ? 1069 TRP A CZ3 1 ATOM 8185 C CH2 . TRP B 2 391 ? -19.593 -35.296 45.372 1.00 33.06 ? 1069 TRP A CH2 1 ATOM 8186 N N . LYS B 2 392 ? -19.922 -34.350 37.723 1.00 38.66 ? 1070 LYS A N 1 ATOM 8187 C CA . LYS B 2 392 ? -19.812 -34.281 36.273 1.00 40.37 ? 1070 LYS A CA 1 ATOM 8188 C C . LYS B 2 392 ? -20.630 -35.398 35.646 1.00 40.20 ? 1070 LYS A C 1 ATOM 8189 O O . LYS B 2 392 ? -20.464 -36.572 35.994 1.00 40.61 ? 1070 LYS A O 1 ATOM 8190 C CB . LYS B 2 392 ? -18.346 -34.374 35.851 1.00 40.81 ? 1070 LYS A CB 1 ATOM 8191 C CG . LYS B 2 392 ? -18.088 -33.973 34.406 1.00 41.38 ? 1070 LYS A CG 1 ATOM 8192 C CD . LYS B 2 392 ? -16.600 -33.892 34.113 1.00 39.26 ? 1070 LYS A CD 1 ATOM 8193 C CE . LYS B 2 392 ? -16.345 -33.582 32.652 1.00 40.43 ? 1070 LYS A CE 1 ATOM 8194 N NZ . LYS B 2 392 ? -14.893 -33.420 32.402 1.00 42.16 ? 1070 LYS A NZ 1 ATOM 8195 N N . GLY B 2 393 ? -21.539 -35.026 34.748 1.00 39.66 ? 1071 GLY A N 1 ATOM 8196 C CA . GLY B 2 393 ? -22.459 -35.972 34.161 1.00 40.62 ? 1071 GLY A CA 1 ATOM 8197 C C . GLY B 2 393 ? -23.699 -36.258 34.982 1.00 42.82 ? 1071 GLY A C 1 ATOM 8198 O O . GLY B 2 393 ? -24.645 -36.858 34.453 1.00 47.24 ? 1071 GLY A O 1 ATOM 8199 N N . GLY B 2 394 ? -23.732 -35.856 36.251 1.00 39.83 ? 1072 GLY A N 1 ATOM 8200 C CA . GLY B 2 394 ? -24.910 -36.040 37.067 1.00 39.17 ? 1072 GLY A CA 1 ATOM 8201 C C . GLY B 2 394 ? -25.990 -35.002 36.799 1.00 42.10 ? 1072 GLY A C 1 ATOM 8202 O O . GLY B 2 394 ? -25.885 -34.146 35.921 1.00 45.70 ? 1072 GLY A O 1 ATOM 8203 N N . SER B 2 395 ? -27.049 -35.090 37.597 1.00 40.50 ? 1073 SER A N 1 ATOM 8204 C CA . SER B 2 395 ? -28.198 -34.212 37.436 1.00 44.18 ? 1073 SER A CA 1 ATOM 8205 C C . SER B 2 395 ? -27.869 -32.783 37.858 1.00 44.37 ? 1073 SER A C 1 ATOM 8206 O O . SER B 2 395 ? -27.015 -32.539 38.716 1.00 38.34 ? 1073 SER A O 1 ATOM 8207 C CB . SER B 2 395 ? -29.384 -34.738 38.245 1.00 49.33 ? 1073 SER A CB 1 ATOM 8208 O OG . SER B 2 395 ? -28.979 -35.142 39.543 1.00 55.36 ? 1073 SER A OG 1 ATOM 8209 N N . ALA B 2 396 ? -28.561 -31.834 37.234 1.00 48.67 ? 1074 ALA A N 1 ATOM 8210 C CA . ALA B 2 396 ? -28.356 -30.427 37.541 1.00 45.52 ? 1074 ALA A CA 1 ATOM 8211 C C . ALA B 2 396 ? -28.838 -30.121 38.951 1.00 48.08 ? 1074 ALA A C 1 ATOM 8212 O O . ALA B 2 396 ? -29.836 -30.676 39.417 1.00 51.74 ? 1074 ALA A O 1 ATOM 8213 C CB . ALA B 2 396 ? -29.093 -29.552 36.529 1.00 45.32 ? 1074 ALA A CB 1 ATOM 8214 N N . SER B 2 397 ? -28.123 -29.230 39.633 1.00 43.78 ? 1075 SER A N 1 ATOM 8215 C CA . SER B 2 397 ? -28.421 -28.885 41.014 1.00 39.93 ? 1075 SER A CA 1 ATOM 8216 C C . SER B 2 397 ? -28.803 -27.418 41.123 1.00 40.93 ? 1075 SER A C 1 ATOM 8217 O O . SER B 2 397 ? -28.085 -26.548 40.622 1.00 41.65 ? 1075 SER A O 1 ATOM 8218 C CB . SER B 2 397 ? -27.233 -29.169 41.932 1.00 42.05 ? 1075 SER A CB 1 ATOM 8219 O OG . SER B 2 397 ? -27.446 -28.561 43.199 1.00 45.53 ? 1075 SER A OG 1 ATOM 8220 N N . THR B 2 398 ? -29.936 -27.155 41.780 1.00 39.29 ? 1076 THR A N 1 ATOM 8221 C CA . THR B 2 398 ? -30.294 -25.790 42.145 1.00 37.21 ? 1076 THR A CA 1 ATOM 8222 C C . THR B 2 398 ? -29.232 -25.176 43.043 1.00 40.61 ? 1076 THR A C 1 ATOM 8223 O O . THR B 2 398 ? -28.823 -24.024 42.847 1.00 40.67 ? 1076 THR A O 1 ATOM 8224 C CB . THR B 2 398 ? -31.652 -25.785 42.850 1.00 40.55 ? 1076 THR A CB 1 ATOM 8225 O OG1 . THR B 2 398 ? -32.626 -26.439 42.025 1.00 45.57 ? 1076 THR A OG1 1 ATOM 8226 C CG2 . THR B 2 398 ? -32.110 -24.357 43.164 1.00 35.43 ? 1076 THR A CG2 1 ATOM 8227 N N . TRP B 2 399 ? -28.770 -25.945 44.030 1.00 41.50 ? 1077 TRP A N 1 ATOM 8228 C CA . TRP B 2 399 ? -27.777 -25.459 44.979 1.00 38.22 ? 1077 TRP A CA 1 ATOM 8229 C C . TRP B 2 399 ? -26.490 -25.062 44.267 1.00 35.47 ? 1077 TRP A C 1 ATOM 8230 O O . TRP B 2 399 ? -26.024 -23.920 44.376 1.00 37.60 ? 1077 TRP A O 1 ATOM 8231 C CB . TRP B 2 399 ? -27.522 -26.544 46.026 1.00 39.54 ? 1077 TRP A CB 1 ATOM 8232 C CG . TRP B 2 399 ? -26.712 -26.131 47.209 1.00 37.48 ? 1077 TRP A CG 1 ATOM 8233 C CD1 . TRP B 2 399 ? -27.169 -25.543 48.351 1.00 41.55 ? 1077 TRP A CD1 1 ATOM 8234 C CD2 . TRP B 2 399 ? -25.305 -26.313 47.385 1.00 35.14 ? 1077 TRP A CD2 1 ATOM 8235 N NE1 . TRP B 2 399 ? -26.127 -25.332 49.224 1.00 43.38 ? 1077 TRP A NE1 1 ATOM 8236 C CE2 . TRP B 2 399 ? -24.972 -25.797 48.653 1.00 37.83 ? 1077 TRP A CE2 1 ATOM 8237 C CE3 . TRP B 2 399 ? -24.292 -26.854 46.589 1.00 34.83 ? 1077 TRP A CE3 1 ATOM 8238 C CZ2 . TRP B 2 399 ? -23.671 -25.808 49.143 1.00 39.94 ? 1077 TRP A CZ2 1 ATOM 8239 C CZ3 . TRP B 2 399 ? -22.999 -26.864 47.077 1.00 37.16 ? 1077 TRP A CZ3 1 ATOM 8240 C CH2 . TRP B 2 399 ? -22.700 -26.344 48.341 1.00 40.39 ? 1077 TRP A CH2 1 ATOM 8241 N N . LEU B 2 400 ? -25.912 -25.990 43.502 1.00 31.79 ? 1078 LEU A N 1 ATOM 8242 C CA . LEU B 2 400 ? -24.626 -25.701 42.883 1.00 35.23 ? 1078 LEU A CA 1 ATOM 8243 C C . LEU B 2 400 ? -24.739 -24.622 41.816 1.00 38.04 ? 1078 LEU A C 1 ATOM 8244 O O . LEU B 2 400 ? -23.805 -23.835 41.638 1.00 38.60 ? 1078 LEU A O 1 ATOM 8245 C CB . LEU B 2 400 ? -24.019 -26.961 42.286 1.00 37.18 ? 1078 LEU A CB 1 ATOM 8246 C CG . LEU B 2 400 ? -22.574 -26.680 41.881 1.00 40.39 ? 1078 LEU A CG 1 ATOM 8247 C CD1 . LEU B 2 400 ? -21.609 -27.184 42.944 1.00 37.89 ? 1078 LEU A CD1 1 ATOM 8248 C CD2 . LEU B 2 400 ? -22.287 -27.271 40.524 1.00 43.50 ? 1078 LEU A CD2 1 ATOM 8249 N N . THR B 2 401 ? -25.858 -24.569 41.093 1.00 39.12 ? 1079 THR A N 1 ATOM 8250 C CA . THR B 2 401 ? -26.058 -23.475 40.150 1.00 35.35 ? 1079 THR A CA 1 ATOM 8251 C C . THR B 2 401 ? -26.099 -22.136 40.874 1.00 38.41 ? 1079 THR A C 1 ATOM 8252 O O . THR B 2 401 ? -25.530 -21.145 40.399 1.00 38.18 ? 1079 THR A O 1 ATOM 8253 C CB . THR B 2 401 ? -27.339 -23.702 39.351 1.00 37.31 ? 1079 THR A CB 1 ATOM 8254 O OG1 . THR B 2 401 ? -27.217 -24.924 38.616 1.00 38.97 ? 1079 THR A OG1 1 ATOM 8255 C CG2 . THR B 2 401 ? -27.600 -22.548 38.378 1.00 33.14 ? 1079 THR A CG2 1 ATOM 8256 N N . ALA B 2 402 ? -26.750 -22.089 42.039 1.00 37.49 ? 1080 ALA A N 1 ATOM 8257 C CA . ALA B 2 402 ? -26.733 -20.858 42.820 1.00 34.66 ? 1080 ALA A CA 1 ATOM 8258 C C . ALA B 2 402 ? -25.312 -20.488 43.224 1.00 32.58 ? 1080 ALA A C 1 ATOM 8259 O O . ALA B 2 402 ? -24.916 -19.319 43.128 1.00 36.16 ? 1080 ALA A O 1 ATOM 8260 C CB . ALA B 2 402 ? -27.625 -21.000 44.052 1.00 36.31 ? 1080 ALA A CB 1 ATOM 8261 N N . PHE B 2 403 ? -24.520 -21.475 43.657 1.00 30.76 ? 1081 PHE A N 1 ATOM 8262 C CA . PHE B 2 403 ? -23.162 -21.172 44.108 1.00 35.89 ? 1081 PHE A CA 1 ATOM 8263 C C . PHE B 2 403 ? -22.288 -20.696 42.954 1.00 40.64 ? 1081 PHE A C 1 ATOM 8264 O O . PHE B 2 403 ? -21.528 -19.727 43.095 1.00 46.64 ? 1081 PHE A O 1 ATOM 8265 C CB . PHE B 2 403 ? -22.540 -22.394 44.780 1.00 33.50 ? 1081 PHE A CB 1 ATOM 8266 C CG . PHE B 2 403 ? -21.277 -22.090 45.537 1.00 35.22 ? 1081 PHE A CG 1 ATOM 8267 C CD1 . PHE B 2 403 ? -21.268 -21.135 46.543 1.00 38.85 ? 1081 PHE A CD1 1 ATOM 8268 C CD2 . PHE B 2 403 ? -20.104 -22.764 45.254 1.00 32.40 ? 1081 PHE A CD2 1 ATOM 8269 C CE1 . PHE B 2 403 ? -20.108 -20.852 47.243 1.00 28.95 ? 1081 PHE A CE1 1 ATOM 8270 C CE2 . PHE B 2 403 ? -18.941 -22.485 45.952 1.00 31.18 ? 1081 PHE A CE2 1 ATOM 8271 C CZ . PHE B 2 403 ? -18.945 -21.527 46.947 1.00 29.66 ? 1081 PHE A CZ 1 ATOM 8272 N N . ALA B 2 404 ? -22.381 -21.370 41.807 1.00 39.76 ? 1082 ALA A N 1 ATOM 8273 C CA . ALA B 2 404 ? -21.663 -20.921 40.622 1.00 38.30 ? 1082 ALA A CA 1 ATOM 8274 C C . ALA B 2 404 ? -22.085 -19.513 40.236 1.00 41.08 ? 1082 ALA A C 1 ATOM 8275 O O . ALA B 2 404 ? -21.258 -18.708 39.798 1.00 38.23 ? 1082 ALA A O 1 ATOM 8276 C CB . ALA B 2 404 ? -21.899 -21.885 39.459 1.00 30.58 ? 1082 ALA A CB 1 ATOM 8277 N N . LEU B 2 405 ? -23.370 -19.196 40.388 1.00 39.25 ? 1083 LEU A N 1 ATOM 8278 C CA . LEU B 2 405 ? -23.797 -17.835 40.101 1.00 35.47 ? 1083 LEU A CA 1 ATOM 8279 C C . LEU B 2 405 ? -23.195 -16.850 41.089 1.00 39.27 ? 1083 LEU A C 1 ATOM 8280 O O . LEU B 2 405 ? -22.924 -15.704 40.725 1.00 46.32 ? 1083 LEU A O 1 ATOM 8281 C CB . LEU B 2 405 ? -25.321 -17.744 40.097 1.00 33.96 ? 1083 LEU A CB 1 ATOM 8282 C CG . LEU B 2 405 ? -25.965 -18.222 38.794 1.00 37.07 ? 1083 LEU A CG 1 ATOM 8283 C CD1 . LEU B 2 405 ? -27.471 -18.362 38.929 1.00 37.85 ? 1083 LEU A CD1 1 ATOM 8284 C CD2 . LEU B 2 405 ? -25.619 -17.260 37.670 1.00 34.97 ? 1083 LEU A CD2 1 ATOM 8285 N N . ARG B 2 406 ? -22.961 -17.273 42.331 1.00 38.53 ? 1084 ARG A N 1 ATOM 8286 C CA . ARG B 2 406 ? -22.312 -16.376 43.281 1.00 41.23 ? 1084 ARG A CA 1 ATOM 8287 C C . ARG B 2 406 ? -20.866 -16.108 42.883 1.00 42.26 ? 1084 ARG A C 1 ATOM 8288 O O . ARG B 2 406 ? -20.445 -14.948 42.775 1.00 43.33 ? 1084 ARG A O 1 ATOM 8289 C CB . ARG B 2 406 ? -22.371 -16.947 44.695 1.00 41.57 ? 1084 ARG A CB 1 ATOM 8290 C CG . ARG B 2 406 ? -21.417 -16.221 45.626 1.00 43.62 ? 1084 ARG A CG 1 ATOM 8291 C CD . ARG B 2 406 ? -21.474 -16.737 47.038 1.00 46.67 ? 1084 ARG A CD 1 ATOM 8292 N NE . ARG B 2 406 ? -20.611 -15.949 47.912 1.00 47.84 ? 1084 ARG A NE 1 ATOM 8293 C CZ . ARG B 2 406 ? -20.599 -16.053 49.235 1.00 46.83 ? 1084 ARG A CZ 1 ATOM 8294 N NH1 . ARG B 2 406 ? -21.406 -16.915 49.838 1.00 45.45 ? 1084 ARG A NH1 1 ATOM 8295 N NH2 . ARG B 2 406 ? -19.783 -15.295 49.954 1.00 48.05 ? 1084 ARG A NH2 1 ATOM 8296 N N . VAL B 2 407 ? -20.087 -17.172 42.664 1.00 42.41 ? 1085 VAL A N 1 ATOM 8297 C CA . VAL B 2 407 ? -18.672 -16.997 42.333 1.00 40.19 ? 1085 VAL A CA 1 ATOM 8298 C C . VAL B 2 407 ? -18.519 -16.253 41.011 1.00 41.11 ? 1085 VAL A C 1 ATOM 8299 O O . VAL B 2 407 ? -17.749 -15.291 40.901 1.00 40.16 ? 1085 VAL A O 1 ATOM 8300 C CB . VAL B 2 407 ? -17.956 -18.357 42.300 1.00 33.32 ? 1085 VAL A CB 1 ATOM 8301 C CG1 . VAL B 2 407 ? -16.504 -18.176 41.889 1.00 29.50 ? 1085 VAL A CG1 1 ATOM 8302 C CG2 . VAL B 2 407 ? -18.052 -19.028 43.660 1.00 29.72 ? 1085 VAL A CG2 1 ATOM 8303 N N . LEU B 2 408 ? -19.254 -16.688 39.988 1.00 41.81 ? 1086 LEU A N 1 ATOM 8304 C CA . LEU B 2 408 ? -19.226 -15.995 38.705 1.00 40.46 ? 1086 LEU A CA 1 ATOM 8305 C C . LEU B 2 408 ? -19.654 -14.539 38.855 1.00 41.29 ? 1086 LEU A C 1 ATOM 8306 O O . LEU B 2 408 ? -19.043 -13.639 38.265 1.00 42.35 ? 1086 LEU A O 1 ATOM 8307 C CB . LEU B 2 408 ? -20.124 -16.721 37.700 1.00 38.83 ? 1086 LEU A CB 1 ATOM 8308 C CG . LEU B 2 408 ? -19.610 -17.991 37.019 1.00 42.01 ? 1086 LEU A CG 1 ATOM 8309 C CD1 . LEU B 2 408 ? -20.760 -18.741 36.361 1.00 43.98 ? 1086 LEU A CD1 1 ATOM 8310 C CD2 . LEU B 2 408 ? -18.559 -17.640 35.983 1.00 42.22 ? 1086 LEU A CD2 1 ATOM 8311 N N . GLY B 2 409 ? -20.698 -14.286 39.645 1.00 36.05 ? 1087 GLY A N 1 ATOM 8312 C CA . GLY B 2 409 ? -21.195 -12.926 39.776 1.00 38.98 ? 1087 GLY A CA 1 ATOM 8313 C C . GLY B 2 409 ? -20.190 -12.012 40.446 1.00 42.00 ? 1087 GLY A C 1 ATOM 8314 O O . GLY B 2 409 ? -20.083 -10.831 40.106 1.00 43.31 ? 1087 GLY A O 1 ATOM 8315 N N . GLN B 2 410 ? -19.430 -12.550 41.401 1.00 42.50 ? 1088 GLN A N 1 ATOM 8316 C CA . GLN B 2 410 ? -18.399 -11.750 42.051 1.00 39.53 ? 1088 GLN A CA 1 ATOM 8317 C C . GLN B 2 410 ? -17.198 -11.551 41.131 1.00 41.22 ? 1088 GLN A C 1 ATOM 8318 O O . GLN B 2 410 ? -16.641 -10.449 41.060 1.00 42.96 ? 1088 GLN A O 1 ATOM 8319 C CB . GLN B 2 410 ? -17.987 -12.410 43.370 1.00 35.27 ? 1088 GLN A CB 1 ATOM 8320 C CG . GLN B 2 410 ? -19.112 -12.488 44.403 1.00 39.13 ? 1088 GLN A CG 1 ATOM 8321 C CD . GLN B 2 410 ? -18.750 -13.302 45.644 1.00 39.76 ? 1088 GLN A CD 1 ATOM 8322 O OE1 . GLN B 2 410 ? -19.611 -13.596 46.476 1.00 44.82 ? 1088 GLN A OE1 1 ATOM 8323 N NE2 . GLN B 2 410 ? -17.480 -13.665 45.773 1.00 36.57 ? 1088 GLN A NE2 1 ATOM 8324 N N . VAL B 2 411 ? -16.797 -12.598 40.403 1.00 35.10 ? 1089 VAL A N 1 ATOM 8325 C CA . VAL B 2 411 ? -15.624 -12.505 39.538 1.00 37.57 ? 1089 VAL A CA 1 ATOM 8326 C C . VAL B 2 411 ? -15.874 -11.557 38.370 1.00 47.03 ? 1089 VAL A C 1 ATOM 8327 O O . VAL B 2 411 ? -14.944 -10.895 37.885 1.00 45.69 ? 1089 VAL A O 1 ATOM 8328 C CB . VAL B 2 411 ? -15.219 -13.908 39.054 1.00 36.25 ? 1089 VAL A CB 1 ATOM 8329 C CG1 . VAL B 2 411 ? -14.215 -13.825 37.919 1.00 31.66 ? 1089 VAL A CG1 1 ATOM 8330 C CG2 . VAL B 2 411 ? -14.641 -14.711 40.207 1.00 35.09 ? 1089 VAL A CG2 1 ATOM 8331 N N . ASN B 2 412 ? -17.127 -11.453 37.917 1.00 50.25 ? 1090 ASN A N 1 ATOM 8332 C CA . ASN B 2 412 ? -17.460 -10.620 36.768 1.00 46.48 ? 1090 ASN A CA 1 ATOM 8333 C C . ASN B 2 412 ? -16.993 -9.183 36.931 1.00 46.88 ? 1090 ASN A C 1 ATOM 8334 O O . ASN B 2 412 ? -16.796 -8.485 35.929 1.00 48.53 ? 1090 ASN A O 1 ATOM 8335 C CB . ASN B 2 412 ? -18.970 -10.654 36.532 1.00 45.50 ? 1090 ASN A CB 1 ATOM 8336 C CG . ASN B 2 412 ? -19.400 -9.790 35.363 1.00 47.73 ? 1090 ASN A CG 1 ATOM 8337 O OD1 . ASN B 2 412 ? -19.218 -10.159 34.203 1.00 47.00 ? 1090 ASN A OD1 1 ATOM 8338 N ND2 . ASN B 2 412 ? -19.984 -8.636 35.665 1.00 44.12 ? 1090 ASN A ND2 1 ATOM 8339 N N . LYS B 2 413 ? -16.798 -8.730 38.167 1.00 50.65 ? 1091 LYS A N 1 ATOM 8340 C CA . LYS B 2 413 ? -16.377 -7.353 38.395 1.00 49.68 ? 1091 LYS A CA 1 ATOM 8341 C C . LYS B 2 413 ? -14.990 -7.094 37.817 1.00 43.02 ? 1091 LYS A C 1 ATOM 8342 O O . LYS B 2 413 ? -14.722 -6.003 37.303 1.00 41.75 ? 1091 LYS A O 1 ATOM 8343 C CB . LYS B 2 413 ? -16.412 -7.049 39.893 1.00 52.42 ? 1091 LYS A CB 1 ATOM 8344 C CG . LYS B 2 413 ? -16.136 -5.605 40.248 1.00 63.63 ? 1091 LYS A CG 1 ATOM 8345 C CD . LYS B 2 413 ? -16.433 -5.339 41.715 1.00 73.86 ? 1091 LYS A CD 1 ATOM 8346 C CE . LYS B 2 413 ? -16.326 -3.858 42.038 1.00 82.22 ? 1091 LYS A CE 1 ATOM 8347 N NZ . LYS B 2 413 ? -14.951 -3.341 41.801 1.00 87.55 ? 1091 LYS A NZ 1 ATOM 8348 N N . TYR B 2 414 ? -14.102 -8.088 37.877 1.00 42.78 ? 1092 TYR A N 1 ATOM 8349 C CA . TYR B 2 414 ? -12.719 -7.935 37.440 1.00 42.13 ? 1092 TYR A CA 1 ATOM 8350 C C . TYR B 2 414 ? -12.397 -8.688 36.161 1.00 41.89 ? 1092 TYR A C 1 ATOM 8351 O O . TYR B 2 414 ? -11.500 -8.273 35.423 1.00 37.87 ? 1092 TYR A O 1 ATOM 8352 C CB . TYR B 2 414 ? -11.760 -8.389 38.553 1.00 38.96 ? 1092 TYR A CB 1 ATOM 8353 C CG . TYR B 2 414 ? -12.005 -7.666 39.853 1.00 42.73 ? 1092 TYR A CG 1 ATOM 8354 C CD1 . TYR B 2 414 ? -11.833 -6.290 39.946 1.00 42.11 ? 1092 TYR A CD1 1 ATOM 8355 C CD2 . TYR B 2 414 ? -12.427 -8.352 40.986 1.00 45.57 ? 1092 TYR A CD2 1 ATOM 8356 C CE1 . TYR B 2 414 ? -12.068 -5.615 41.129 1.00 44.27 ? 1092 TYR A CE1 1 ATOM 8357 C CE2 . TYR B 2 414 ? -12.664 -7.684 42.178 1.00 46.81 ? 1092 TYR A CE2 1 ATOM 8358 C CZ . TYR B 2 414 ? -12.482 -6.315 42.242 1.00 46.83 ? 1092 TYR A CZ 1 ATOM 8359 O OH . TYR B 2 414 ? -12.715 -5.646 43.419 1.00 46.16 ? 1092 TYR A OH 1 ATOM 8360 N N . VAL B 2 415 ? -13.098 -9.782 35.885 1.00 43.62 ? 1093 VAL A N 1 ATOM 8361 C CA . VAL B 2 415 ? -13.000 -10.498 34.619 1.00 44.45 ? 1093 VAL A CA 1 ATOM 8362 C C . VAL B 2 415 ? -14.424 -10.644 34.099 1.00 46.00 ? 1093 VAL A C 1 ATOM 8363 O O . VAL B 2 415 ? -15.203 -11.444 34.633 1.00 48.55 ? 1093 VAL A O 1 ATOM 8364 C CB . VAL B 2 415 ? -12.322 -11.868 34.769 1.00 41.91 ? 1093 VAL A CB 1 ATOM 8365 C CG1 . VAL B 2 415 ? -12.275 -12.580 33.429 1.00 38.23 ? 1093 VAL A CG1 1 ATOM 8366 C CG2 . VAL B 2 415 ? -10.917 -11.712 35.357 1.00 37.49 ? 1093 VAL A CG2 1 ATOM 8367 N N . GLU B 2 416 ? -14.768 -9.866 33.076 1.00 46.44 ? 1094 GLU A N 1 ATOM 8368 C CA . GLU B 2 416 ? -16.141 -9.820 32.593 1.00 47.44 ? 1094 GLU A CA 1 ATOM 8369 C C . GLU B 2 416 ? -16.607 -11.203 32.154 1.00 47.91 ? 1094 GLU A C 1 ATOM 8370 O O . GLU B 2 416 ? -15.883 -11.936 31.476 1.00 51.25 ? 1094 GLU A O 1 ATOM 8371 C CB . GLU B 2 416 ? -16.259 -8.831 31.436 1.00 52.56 ? 1094 GLU A CB 1 ATOM 8372 C CG . GLU B 2 416 ? -17.669 -8.644 30.911 1.00 61.70 ? 1094 GLU A CG 1 ATOM 8373 C CD . GLU B 2 416 ? -17.711 -7.809 29.644 1.00 72.52 ? 1094 GLU A CD 1 ATOM 8374 O OE1 . GLU B 2 416 ? -16.644 -7.593 29.029 1.00 74.42 ? 1094 GLU A OE1 1 ATOM 8375 O OE2 . GLU B 2 416 ? -18.814 -7.369 29.261 1.00 76.56 ? 1094 GLU A OE2 1 ATOM 8376 N N . GLN B 2 417 ? -17.823 -11.558 32.552 1.00 41.87 ? 1095 GLN A N 1 ATOM 8377 C CA . GLN B 2 417 ? -18.399 -12.854 32.243 1.00 39.20 ? 1095 GLN A CA 1 ATOM 8378 C C . GLN B 2 417 ? -19.391 -12.746 31.087 1.00 41.17 ? 1095 GLN A C 1 ATOM 8379 O O . GLN B 2 417 ? -19.896 -11.668 30.765 1.00 41.85 ? 1095 GLN A O 1 ATOM 8380 C CB . GLN B 2 417 ? -19.075 -13.446 33.484 1.00 41.94 ? 1095 GLN A CB 1 ATOM 8381 C CG . GLN B 2 417 ? -18.095 -13.761 34.612 1.00 43.20 ? 1095 GLN A CG 1 ATOM 8382 C CD . GLN B 2 417 ? -16.995 -14.710 34.172 1.00 46.01 ? 1095 GLN A CD 1 ATOM 8383 O OE1 . GLN B 2 417 ? -17.265 -15.829 33.746 1.00 53.25 ? 1095 GLN A OE1 1 ATOM 8384 N NE2 . GLN B 2 417 ? -15.747 -14.257 34.253 1.00 44.11 ? 1095 GLN A NE2 1 ATOM 8385 N N . ASN B 2 418 ? -19.643 -13.889 30.443 1.00 40.58 ? 1096 ASN A N 1 ATOM 8386 C CA . ASN B 2 418 ? -20.575 -13.959 29.324 1.00 36.60 ? 1096 ASN A CA 1 ATOM 8387 C C . ASN B 2 418 ? -21.985 -13.695 29.832 1.00 39.33 ? 1096 ASN A C 1 ATOM 8388 O O . ASN B 2 418 ? -22.565 -14.525 30.541 1.00 42.99 ? 1096 ASN A O 1 ATOM 8389 C CB . ASN B 2 418 ? -20.486 -15.320 28.645 1.00 39.06 ? 1096 ASN A CB 1 ATOM 8390 C CG . ASN B 2 418 ? -21.202 -15.349 27.300 1.00 40.47 ? 1096 ASN A CG 1 ATOM 8391 O OD1 . ASN B 2 418 ? -22.306 -14.825 27.157 1.00 37.45 ? 1096 ASN A OD1 1 ATOM 8392 N ND2 . ASN B 2 418 ? -20.567 -15.958 26.308 1.00 39.15 ? 1096 ASN A ND2 1 ATOM 8393 N N . GLN B 2 419 ? -22.543 -12.542 29.456 1.00 37.17 ? 1097 GLN A N 1 ATOM 8394 C CA . GLN B 2 419 ? -23.847 -12.145 29.976 1.00 42.13 ? 1097 GLN A CA 1 ATOM 8395 C C . GLN B 2 419 ? -24.937 -13.133 29.576 1.00 46.25 ? 1097 GLN A C 1 ATOM 8396 O O . GLN B 2 419 ? -25.818 -13.451 30.380 1.00 47.66 ? 1097 GLN A O 1 ATOM 8397 C CB . GLN B 2 419 ? -24.199 -10.740 29.491 1.00 42.17 ? 1097 GLN A CB 1 ATOM 8398 C CG . GLN B 2 419 ? -25.534 -10.233 30.007 1.00 42.71 ? 1097 GLN A CG 1 ATOM 8399 C CD . GLN B 2 419 ? -26.004 -8.976 29.301 1.00 45.92 ? 1097 GLN A CD 1 ATOM 8400 O OE1 . GLN B 2 419 ? -25.848 -8.830 28.088 1.00 48.59 ? 1097 GLN A OE1 1 ATOM 8401 N NE2 . GLN B 2 419 ? -26.590 -8.061 30.061 1.00 45.40 ? 1097 GLN A NE2 1 ATOM 8402 N N . ASN B 2 420 ? -24.888 -13.638 28.340 1.00 44.93 ? 1098 ASN A N 1 ATOM 8403 C CA . ASN B 2 420 ? -25.942 -14.530 27.862 1.00 41.29 ? 1098 ASN A CA 1 ATOM 8404 C C . ASN B 2 420 ? -25.966 -15.839 28.649 1.00 42.06 ? 1098 ASN A C 1 ATOM 8405 O O . ASN B 2 420 ? -27.043 -16.371 28.956 1.00 41.76 ? 1098 ASN A O 1 ATOM 8406 C CB . ASN B 2 420 ? -25.755 -14.790 26.366 1.00 42.89 ? 1098 ASN A CB 1 ATOM 8407 C CG . ASN B 2 420 ? -26.915 -15.539 25.758 1.00 39.76 ? 1098 ASN A CG 1 ATOM 8408 O OD1 . ASN B 2 420 ? -28.017 -15.005 25.639 1.00 47.12 ? 1098 ASN A OD1 1 ATOM 8409 N ND2 . ASN B 2 420 ? -26.673 -16.781 25.359 1.00 39.52 ? 1098 ASN A ND2 1 ATOM 8410 N N . SER B 2 421 ? -24.789 -16.366 28.992 1.00 36.88 ? 1099 SER A N 1 ATOM 8411 C CA . SER B 2 421 ? -24.722 -17.583 29.796 1.00 46.14 ? 1099 SER A CA 1 ATOM 8412 C C . SER B 2 421 ? -25.290 -17.352 31.192 1.00 47.04 ? 1099 SER A C 1 ATOM 8413 O O . SER B 2 421 ? -26.100 -18.149 31.685 1.00 48.06 ? 1099 SER A O 1 ATOM 8414 C CB . SER B 2 421 ? -23.277 -18.069 29.876 1.00 42.17 ? 1099 SER A CB 1 ATOM 8415 O OG . SER B 2 421 ? -22.685 -18.109 28.591 1.00 37.68 ? 1099 SER A OG 1 ATOM 8416 N N . ILE B 2 422 ? -24.872 -16.261 31.843 1.00 46.34 ? 1100 ILE A N 1 ATOM 8417 C CA . ILE B 2 422 ? -25.386 -15.927 33.171 1.00 45.07 ? 1100 ILE A CA 1 ATOM 8418 C C . ILE B 2 422 ? -26.900 -15.766 33.133 1.00 44.86 ? 1100 ILE A C 1 ATOM 8419 O O . ILE B 2 422 ? -27.613 -16.243 34.027 1.00 44.98 ? 1100 ILE A O 1 ATOM 8420 C CB . ILE B 2 422 ? -24.695 -14.656 33.705 1.00 39.23 ? 1100 ILE A CB 1 ATOM 8421 C CG1 . ILE B 2 422 ? -23.180 -14.853 33.759 1.00 36.78 ? 1100 ILE A CG1 1 ATOM 8422 C CG2 . ILE B 2 422 ? -25.217 -14.302 35.079 1.00 36.72 ? 1100 ILE A CG2 1 ATOM 8423 C CD1 . ILE B 2 422 ? -22.770 -16.045 34.576 1.00 33.81 ? 1100 ILE A CD1 1 ATOM 8424 N N . CYS B 2 423 ? -27.414 -15.091 32.099 1.00 40.11 ? 1101 CYS A N 1 ATOM 8425 C CA . CYS B 2 423 ? -28.857 -14.950 31.937 1.00 43.85 ? 1101 CYS A CA 1 ATOM 8426 C C . CYS B 2 423 ? -29.533 -16.313 31.856 1.00 47.65 ? 1101 CYS A C 1 ATOM 8427 O O . CYS B 2 423 ? -30.542 -16.557 32.527 1.00 49.27 ? 1101 CYS A O 1 ATOM 8428 C CB . CYS B 2 423 ? -29.176 -14.127 30.687 1.00 50.67 ? 1101 CYS A CB 1 ATOM 8429 S SG . CYS B 2 423 ? -28.812 -12.345 30.753 1.00 52.59 ? 1101 CYS A SG 1 ATOM 8430 N N . ASN B 2 424 ? -28.987 -17.220 31.038 1.00 47.30 ? 1102 ASN A N 1 ATOM 8431 C CA . ASN B 2 424 ? -29.594 -18.543 30.920 1.00 46.45 ? 1102 ASN A CA 1 ATOM 8432 C C . ASN B 2 424 ? -29.559 -19.308 32.244 1.00 47.61 ? 1102 ASN A C 1 ATOM 8433 O O . ASN B 2 424 ? -30.491 -20.063 32.547 1.00 52.05 ? 1102 ASN A O 1 ATOM 8434 C CB . ASN B 2 424 ? -28.906 -19.342 29.814 1.00 44.61 ? 1102 ASN A CB 1 ATOM 8435 C CG . ASN B 2 424 ? -29.329 -18.899 28.423 1.00 55.82 ? 1102 ASN A CG 1 ATOM 8436 O OD1 . ASN B 2 424 ? -30.372 -19.315 27.916 1.00 62.14 ? 1102 ASN A OD1 1 ATOM 8437 N ND2 . ASN B 2 424 ? -28.519 -18.051 27.797 1.00 55.80 ? 1102 ASN A ND2 1 ATOM 8438 N N . SER B 2 425 ? -28.509 -19.124 33.047 1.00 39.18 ? 1103 SER A N 1 ATOM 8439 C CA . SER B 2 425 ? -28.440 -19.818 34.331 1.00 39.92 ? 1103 SER A CA 1 ATOM 8440 C C . SER B 2 425 ? -29.474 -19.271 35.309 1.00 47.39 ? 1103 SER A C 1 ATOM 8441 O O . SER B 2 425 ? -30.226 -20.032 35.940 1.00 48.48 ? 1103 SER A O 1 ATOM 8442 C CB . SER B 2 425 ? -27.035 -19.693 34.908 1.00 37.28 ? 1103 SER A CB 1 ATOM 8443 O OG . SER B 2 425 ? -26.079 -20.178 33.987 1.00 39.52 ? 1103 SER A OG 1 ATOM 8444 N N . LEU B 2 426 ? -29.522 -17.945 35.445 1.00 48.20 ? 1104 LEU A N 1 ATOM 8445 C CA . LEU B 2 426 ? -30.517 -17.315 36.303 1.00 42.73 ? 1104 LEU A CA 1 ATOM 8446 C C . LEU B 2 426 ? -31.928 -17.723 35.898 1.00 49.85 ? 1104 LEU A C 1 ATOM 8447 O O . LEU B 2 426 ? -32.743 -18.115 36.744 1.00 55.96 ? 1104 LEU A O 1 ATOM 8448 C CB . LEU B 2 426 ? -30.348 -15.801 36.242 1.00 36.62 ? 1104 LEU A CB 1 ATOM 8449 C CG . LEU B 2 426 ? -29.045 -15.292 36.856 1.00 41.38 ? 1104 LEU A CG 1 ATOM 8450 C CD1 . LEU B 2 426 ? -28.713 -13.922 36.296 1.00 42.08 ? 1104 LEU A CD1 1 ATOM 8451 C CD2 . LEU B 2 426 ? -29.149 -15.253 38.381 1.00 36.51 ? 1104 LEU A CD2 1 ATOM 8452 N N . LEU B 2 427 ? -32.230 -17.649 34.599 1.00 47.47 ? 1105 LEU A N 1 ATOM 8453 C CA . LEU B 2 427 ? -33.564 -18.003 34.131 1.00 45.62 ? 1105 LEU A CA 1 ATOM 8454 C C . LEU B 2 427 ? -33.854 -19.483 34.338 1.00 44.64 ? 1105 LEU A C 1 ATOM 8455 O O . LEU B 2 427 ? -35.002 -19.854 34.600 1.00 48.77 ? 1105 LEU A O 1 ATOM 8456 C CB . LEU B 2 427 ? -33.724 -17.614 32.658 1.00 44.69 ? 1105 LEU A CB 1 ATOM 8457 C CG . LEU B 2 427 ? -33.787 -16.109 32.376 1.00 45.65 ? 1105 LEU A CG 1 ATOM 8458 C CD1 . LEU B 2 427 ? -33.723 -15.799 30.882 1.00 48.41 ? 1105 LEU A CD1 1 ATOM 8459 C CD2 . LEU B 2 427 ? -35.047 -15.524 32.986 1.00 46.43 ? 1105 LEU A CD2 1 ATOM 8460 N N . TRP B 2 428 ? -32.838 -20.342 34.235 1.00 41.37 ? 1106 TRP A N 1 ATOM 8461 C CA . TRP B 2 428 ? -33.051 -21.749 34.557 1.00 45.75 ? 1106 TRP A CA 1 ATOM 8462 C C . TRP B 2 428 ? -33.440 -21.918 36.018 1.00 53.33 ? 1106 TRP A C 1 ATOM 8463 O O . TRP B 2 428 ? -34.264 -22.778 36.352 1.00 55.69 ? 1106 TRP A O 1 ATOM 8464 C CB . TRP B 2 428 ? -31.800 -22.568 34.245 1.00 43.77 ? 1106 TRP A CB 1 ATOM 8465 C CG . TRP B 2 428 ? -31.938 -24.026 34.600 1.00 44.29 ? 1106 TRP A CG 1 ATOM 8466 C CD1 . TRP B 2 428 ? -32.415 -25.022 33.798 1.00 44.14 ? 1106 TRP A CD1 1 ATOM 8467 C CD2 . TRP B 2 428 ? -31.594 -24.648 35.846 1.00 46.04 ? 1106 TRP A CD2 1 ATOM 8468 N NE1 . TRP B 2 428 ? -32.386 -26.223 34.463 1.00 44.41 ? 1106 TRP A NE1 1 ATOM 8469 C CE2 . TRP B 2 428 ? -31.888 -26.021 35.723 1.00 44.52 ? 1106 TRP A CE2 1 ATOM 8470 C CE3 . TRP B 2 428 ? -31.066 -24.177 37.052 1.00 48.34 ? 1106 TRP A CE3 1 ATOM 8471 C CZ2 . TRP B 2 428 ? -31.663 -26.929 36.756 1.00 41.67 ? 1106 TRP A CZ2 1 ATOM 8472 C CZ3 . TRP B 2 428 ? -30.849 -25.083 38.082 1.00 47.00 ? 1106 TRP A CZ3 1 ATOM 8473 C CH2 . TRP B 2 428 ? -31.151 -26.441 37.926 1.00 41.86 ? 1106 TRP A CH2 1 ATOM 8474 N N . LEU B 2 429 ? -32.857 -21.107 36.906 1.00 52.41 ? 1107 LEU A N 1 ATOM 8475 C CA . LEU B 2 429 ? -33.267 -21.146 38.308 1.00 50.88 ? 1107 LEU A CA 1 ATOM 8476 C C . LEU B 2 429 ? -34.706 -20.668 38.482 1.00 54.30 ? 1107 LEU A C 1 ATOM 8477 O O . LEU B 2 429 ? -35.562 -21.407 38.984 1.00 59.53 ? 1107 LEU A O 1 ATOM 8478 C CB . LEU B 2 429 ? -32.319 -20.306 39.164 1.00 46.45 ? 1107 LEU A CB 1 ATOM 8479 C CG . LEU B 2 429 ? -31.010 -20.983 39.548 1.00 39.84 ? 1107 LEU A CG 1 ATOM 8480 C CD1 . LEU B 2 429 ? -30.191 -20.077 40.439 1.00 41.08 ? 1107 LEU A CD1 1 ATOM 8481 C CD2 . LEU B 2 429 ? -31.316 -22.284 40.251 1.00 39.83 ? 1107 LEU A CD2 1 ATOM 8482 N N . VAL B 2 430 ? -34.995 -19.429 38.077 1.00 48.75 ? 1108 VAL A N 1 ATOM 8483 C CA . VAL B 2 430 ? -36.276 -18.830 38.445 1.00 53.11 ? 1108 VAL A CA 1 ATOM 8484 C C . VAL B 2 430 ? -37.444 -19.356 37.618 1.00 57.74 ? 1108 VAL A C 1 ATOM 8485 O O . VAL B 2 430 ? -38.601 -19.206 38.033 1.00 58.46 ? 1108 VAL A O 1 ATOM 8486 C CB . VAL B 2 430 ? -36.224 -17.295 38.339 1.00 51.87 ? 1108 VAL A CB 1 ATOM 8487 C CG1 . VAL B 2 430 ? -35.031 -16.750 39.101 1.00 50.10 ? 1108 VAL A CG1 1 ATOM 8488 C CG2 . VAL B 2 430 ? -36.170 -16.862 36.892 1.00 54.37 ? 1108 VAL A CG2 1 ATOM 8489 N N . GLU B 2 431 ? -37.188 -19.973 36.467 1.00 58.45 ? 1109 GLU A N 1 ATOM 8490 C CA . GLU B 2 431 ? -38.269 -20.416 35.596 1.00 56.38 ? 1109 GLU A CA 1 ATOM 8491 C C . GLU B 2 431 ? -38.770 -21.815 35.918 1.00 53.60 ? 1109 GLU A C 1 ATOM 8492 O O . GLU B 2 431 ? -39.896 -22.152 35.542 1.00 53.66 ? 1109 GLU A O 1 ATOM 8493 C CB . GLU B 2 431 ? -37.828 -20.371 34.127 1.00 56.40 ? 1109 GLU A CB 1 ATOM 8494 C CG . GLU B 2 431 ? -37.816 -18.975 33.512 1.00 60.58 ? 1109 GLU A CG 1 ATOM 8495 C CD . GLU B 2 431 ? -37.455 -18.990 32.034 1.00 64.59 ? 1109 GLU A CD 1 ATOM 8496 O OE1 . GLU B 2 431 ? -37.976 -18.137 31.285 1.00 63.83 ? 1109 GLU A OE1 1 ATOM 8497 O OE2 . GLU B 2 431 ? -36.652 -19.856 31.621 1.00 62.87 ? 1109 GLU A OE2 1 ATOM 8498 N N . ASN B 2 432 ? -37.979 -22.627 36.608 1.00 57.15 ? 1110 ASN A N 1 ATOM 8499 C CA . ASN B 2 432 ? -38.308 -24.033 36.812 1.00 60.51 ? 1110 ASN A CA 1 ATOM 8500 C C . ASN B 2 432 ? -38.399 -24.445 38.270 1.00 61.41 ? 1110 ASN A C 1 ATOM 8501 O O . ASN B 2 432 ? -39.298 -25.209 38.630 1.00 65.50 ? 1110 ASN A O 1 ATOM 8502 C CB . ASN B 2 432 ? -37.268 -24.918 36.118 1.00 62.42 ? 1110 ASN A CB 1 ATOM 8503 C CG . ASN B 2 432 ? -37.058 -24.535 34.678 1.00 62.41 ? 1110 ASN A CG 1 ATOM 8504 O OD1 . ASN B 2 432 ? -37.748 -25.028 33.788 1.00 64.73 ? 1110 ASN A OD1 1 ATOM 8505 N ND2 . ASN B 2 432 ? -36.105 -23.643 34.436 1.00 60.28 ? 1110 ASN A ND2 1 ATOM 8506 N N . TYR B 2 433 ? -37.493 -23.974 39.123 1.00 58.80 ? 1111 TYR A N 1 ATOM 8507 C CA . TYR B 2 433 ? -37.379 -24.510 40.472 1.00 58.05 ? 1111 TYR A CA 1 ATOM 8508 C C . TYR B 2 433 ? -37.679 -23.467 41.543 1.00 57.64 ? 1111 TYR A C 1 ATOM 8509 O O . TYR B 2 433 ? -37.096 -23.503 42.627 1.00 59.16 ? 1111 TYR A O 1 ATOM 8510 C CB . TYR B 2 433 ? -35.997 -25.123 40.681 1.00 55.95 ? 1111 TYR A CB 1 ATOM 8511 C CG . TYR B 2 433 ? -35.706 -26.225 39.695 1.00 57.75 ? 1111 TYR A CG 1 ATOM 8512 C CD1 . TYR B 2 433 ? -36.169 -27.514 39.912 1.00 61.08 ? 1111 TYR A CD1 1 ATOM 8513 C CD2 . TYR B 2 433 ? -34.989 -25.973 38.536 1.00 59.06 ? 1111 TYR A CD2 1 ATOM 8514 C CE1 . TYR B 2 433 ? -35.917 -28.523 39.007 1.00 63.17 ? 1111 TYR A CE1 1 ATOM 8515 C CE2 . TYR B 2 433 ? -34.736 -26.975 37.625 1.00 60.01 ? 1111 TYR A CE2 1 ATOM 8516 C CZ . TYR B 2 433 ? -35.196 -28.249 37.866 1.00 63.29 ? 1111 TYR A CZ 1 ATOM 8517 O OH . TYR B 2 433 ? -34.939 -29.251 36.960 1.00 66.90 ? 1111 TYR A OH 1 ATOM 8518 N N . GLN B 2 434 ? -38.593 -22.541 41.264 1.00 54.46 ? 1112 GLN A N 1 ATOM 8519 C CA . GLN B 2 434 ? -39.130 -21.655 42.288 1.00 51.44 ? 1112 GLN A CA 1 ATOM 8520 C C . GLN B 2 434 ? -40.615 -21.941 42.436 1.00 56.17 ? 1112 GLN A C 1 ATOM 8521 O O . GLN B 2 434 ? -41.365 -21.881 41.455 1.00 57.66 ? 1112 GLN A O 1 ATOM 8522 C CB . GLN B 2 434 ? -38.897 -20.181 41.955 1.00 50.50 ? 1112 GLN A CB 1 ATOM 8523 C CG . GLN B 2 434 ? -39.303 -19.258 43.100 1.00 53.28 ? 1112 GLN A CG 1 ATOM 8524 C CD . GLN B 2 434 ? -39.066 -17.793 42.802 1.00 54.20 ? 1112 GLN A CD 1 ATOM 8525 O OE1 . GLN B 2 434 ? -39.091 -17.370 41.648 1.00 61.57 ? 1112 GLN A OE1 1 ATOM 8526 N NE2 . GLN B 2 434 ? -38.836 -17.007 43.849 1.00 45.88 ? 1112 GLN A NE2 1 ATOM 8527 N N . LEU B 2 435 ? -41.035 -22.250 43.658 1.00 60.45 ? 1113 LEU A N 1 ATOM 8528 C CA . LEU B 2 435 ? -42.417 -22.601 43.929 1.00 60.41 ? 1113 LEU A CA 1 ATOM 8529 C C . LEU B 2 435 ? -43.271 -21.342 44.074 1.00 65.75 ? 1113 LEU A C 1 ATOM 8530 O O . LEU B 2 435 ? -42.772 -20.213 44.078 1.00 66.75 ? 1113 LEU A O 1 ATOM 8531 C CB . LEU B 2 435 ? -42.499 -23.464 45.184 1.00 55.77 ? 1113 LEU A CB 1 ATOM 8532 C CG . LEU B 2 435 ? -41.545 -24.660 45.200 1.00 47.50 ? 1113 LEU A CG 1 ATOM 8533 C CD1 . LEU B 2 435 ? -41.622 -25.373 46.537 1.00 46.36 ? 1113 LEU A CD1 1 ATOM 8534 C CD2 . LEU B 2 435 ? -41.850 -25.621 44.060 1.00 41.66 ? 1113 LEU A CD2 1 ATOM 8535 N N . ASP B 2 436 ? -44.584 -21.550 44.188 1.00 69.72 ? 1114 ASP A N 1 ATOM 8536 C CA . ASP B 2 436 ? -45.501 -20.417 44.258 1.00 74.90 ? 1114 ASP A CA 1 ATOM 8537 C C . ASP B 2 436 ? -45.251 -19.581 45.505 1.00 73.61 ? 1114 ASP A C 1 ATOM 8538 O O . ASP B 2 436 ? -45.384 -18.352 45.473 1.00 75.27 ? 1114 ASP A O 1 ATOM 8539 C CB . ASP B 2 436 ? -46.948 -20.907 44.224 1.00 86.92 ? 1114 ASP A CB 1 ATOM 8540 C CG . ASP B 2 436 ? -47.300 -21.602 42.924 1.00 98.05 ? 1114 ASP A CG 1 ATOM 8541 O OD1 . ASP B 2 436 ? -46.749 -21.219 41.869 1.00 102.31 ? 1114 ASP A OD1 1 ATOM 8542 O OD2 . ASP B 2 436 ? -48.131 -22.532 42.959 1.00 104.22 ? 1114 ASP A OD2 1 ATOM 8543 N N . ASN B 2 437 ? -44.877 -20.225 46.610 1.00 69.90 ? 1115 ASN A N 1 ATOM 8544 C CA . ASN B 2 437 ? -44.652 -19.499 47.853 1.00 66.77 ? 1115 ASN A CA 1 ATOM 8545 C C . ASN B 2 437 ? -43.348 -18.712 47.855 1.00 67.28 ? 1115 ASN A C 1 ATOM 8546 O O . ASN B 2 437 ? -43.067 -18.024 48.843 1.00 71.91 ? 1115 ASN A O 1 ATOM 8547 C CB . ASN B 2 437 ? -44.685 -20.465 49.040 1.00 66.88 ? 1115 ASN A CB 1 ATOM 8548 C CG . ASN B 2 437 ? -43.713 -21.620 48.889 1.00 69.66 ? 1115 ASN A CG 1 ATOM 8549 O OD1 . ASN B 2 437 ? -42.835 -21.606 48.026 1.00 72.33 ? 1115 ASN A OD1 1 ATOM 8550 N ND2 . ASN B 2 437 ? -43.864 -22.630 49.738 1.00 68.55 ? 1115 ASN A ND2 1 ATOM 8551 N N . GLY B 2 438 ? -42.550 -18.788 46.792 1.00 62.78 ? 1116 GLY A N 1 ATOM 8552 C CA . GLY B 2 438 ? -41.312 -18.053 46.693 1.00 61.58 ? 1116 GLY A CA 1 ATOM 8553 C C . GLY B 2 438 ? -40.068 -18.859 47.007 1.00 59.79 ? 1116 GLY A C 1 ATOM 8554 O O . GLY B 2 438 ? -38.965 -18.417 46.669 1.00 60.11 ? 1116 GLY A O 1 ATOM 8555 N N . SER B 2 439 ? -40.212 -20.021 47.638 1.00 56.50 ? 1117 SER A N 1 ATOM 8556 C CA . SER B 2 439 ? -39.061 -20.846 47.964 1.00 56.20 ? 1117 SER A CA 1 ATOM 8557 C C . SER B 2 439 ? -38.507 -21.522 46.707 1.00 54.93 ? 1117 SER A C 1 ATOM 8558 O O . SER B 2 439 ? -39.154 -21.577 45.657 1.00 56.15 ? 1117 SER A O 1 ATOM 8559 C CB . SER B 2 439 ? -39.436 -21.900 49.005 1.00 57.94 ? 1117 SER A CB 1 ATOM 8560 O OG . SER B 2 439 ? -40.429 -22.776 48.500 1.00 58.65 ? 1117 SER A OG 1 ATOM 8561 N N . PHE B 2 440 ? -37.287 -22.040 46.827 1.00 52.36 ? 1118 PHE A N 1 ATOM 8562 C CA . PHE B 2 440 ? -36.644 -22.811 45.773 1.00 52.45 ? 1118 PHE A CA 1 ATOM 8563 C C . PHE B 2 440 ? -36.549 -24.272 46.191 1.00 55.03 ? 1118 PHE A C 1 ATOM 8564 O O . PHE B 2 440 ? -36.414 -24.588 47.376 1.00 56.14 ? 1118 PHE A O 1 ATOM 8565 C CB . PHE B 2 440 ? -35.244 -22.268 45.451 1.00 50.16 ? 1118 PHE A CB 1 ATOM 8566 C CG . PHE B 2 440 ? -35.255 -20.963 44.693 1.00 51.93 ? 1118 PHE A CG 1 ATOM 8567 C CD1 . PHE B 2 440 ? -35.313 -20.949 43.308 1.00 48.35 ? 1118 PHE A CD1 1 ATOM 8568 C CD2 . PHE B 2 440 ? -35.207 -19.752 45.365 1.00 50.93 ? 1118 PHE A CD2 1 ATOM 8569 C CE1 . PHE B 2 440 ? -35.327 -19.756 42.612 1.00 47.39 ? 1118 PHE A CE1 1 ATOM 8570 C CE2 . PHE B 2 440 ? -35.220 -18.554 44.672 1.00 47.54 ? 1118 PHE A CE2 1 ATOM 8571 C CZ . PHE B 2 440 ? -35.280 -18.554 43.297 1.00 45.78 ? 1118 PHE A CZ 1 ATOM 8572 N N . LYS B 2 441 ? -36.636 -25.164 45.207 1.00 56.43 ? 1119 LYS A N 1 ATOM 8573 C CA . LYS B 2 441 ? -36.527 -26.594 45.444 1.00 57.42 ? 1119 LYS A CA 1 ATOM 8574 C C . LYS B 2 441 ? -35.330 -27.148 44.685 1.00 58.27 ? 1119 LYS A C 1 ATOM 8575 O O . LYS B 2 441 ? -34.890 -26.579 43.681 1.00 55.01 ? 1119 LYS A O 1 ATOM 8576 C CB . LYS B 2 441 ? -37.803 -27.339 45.028 1.00 62.49 ? 1119 LYS A CB 1 ATOM 8577 C CG . LYS B 2 441 ? -37.946 -27.572 43.537 1.00 70.62 ? 1119 LYS A CG 1 ATOM 8578 C CD . LYS B 2 441 ? -39.083 -28.543 43.252 1.00 78.50 ? 1119 LYS A CD 1 ATOM 8579 C CE . LYS B 2 441 ? -39.180 -28.869 41.769 1.00 83.02 ? 1119 LYS A CE 1 ATOM 8580 N NZ . LYS B 2 441 ? -40.241 -29.875 41.478 1.00 84.54 ? 1119 LYS A NZ 1 ATOM 8581 N N . GLU B 2 442 ? -34.803 -28.263 45.183 1.00 62.51 ? 1120 GLU A N 1 ATOM 8582 C CA . GLU B 2 442 ? -33.631 -28.892 44.596 1.00 62.61 ? 1120 GLU A CA 1 ATOM 8583 C C . GLU B 2 442 ? -34.052 -29.954 43.593 1.00 65.76 ? 1120 GLU A C 1 ATOM 8584 O O . GLU B 2 442 ? -34.976 -30.733 43.840 1.00 67.00 ? 1120 GLU A O 1 ATOM 8585 C CB . GLU B 2 442 ? -32.747 -29.513 45.680 1.00 60.41 ? 1120 GLU A CB 1 ATOM 8586 C CG . GLU B 2 442 ? -31.504 -30.216 45.150 1.00 58.65 ? 1120 GLU A CG 1 ATOM 8587 C CD . GLU B 2 442 ? -30.624 -29.304 44.317 1.00 60.37 ? 1120 GLU A CD 1 ATOM 8588 O OE1 . GLU B 2 442 ? -29.752 -28.611 44.885 1.00 57.84 ? 1120 GLU A OE1 1 ATOM 8589 O OE2 . GLU B 2 442 ? -30.813 -29.272 43.087 1.00 67.87 ? 1120 GLU A OE2 1 ATOM 8590 N N . ASN B 2 443 ? -33.365 -29.975 42.454 1.00 70.13 ? 1121 ASN A N 1 ATOM 8591 C CA . ASN B 2 443 ? -33.660 -30.963 41.424 1.00 74.46 ? 1121 ASN A CA 1 ATOM 8592 C C . ASN B 2 443 ? -32.974 -32.294 41.713 1.00 67.33 ? 1121 ASN A C 1 ATOM 8593 O O . ASN B 2 443 ? -33.600 -33.355 41.621 1.00 67.74 ? 1121 ASN A O 1 ATOM 8594 C CB . ASN B 2 443 ? -33.241 -30.422 40.055 1.00 81.35 ? 1121 ASN A CB 1 ATOM 8595 C CG . ASN B 2 443 ? -33.477 -31.416 38.938 1.00 84.90 ? 1121 ASN A CG 1 ATOM 8596 O OD1 . ASN B 2 443 ? -34.609 -31.616 38.497 1.00 86.91 ? 1121 ASN A OD1 1 ATOM 8597 N ND2 . ASN B 2 443 ? -32.404 -32.041 38.467 1.00 84.39 ? 1121 ASN A ND2 1 ATOM 8598 N N . SER B 2 444 ? -31.693 -32.254 42.073 1.00 60.85 ? 1122 SER A N 1 ATOM 8599 C CA . SER B 2 444 ? -30.902 -33.460 42.263 1.00 61.51 ? 1122 SER A CA 1 ATOM 8600 C C . SER B 2 444 ? -31.091 -34.017 43.671 1.00 61.23 ? 1122 SER A C 1 ATOM 8601 O O . SER B 2 444 ? -31.759 -33.428 44.522 1.00 63.77 ? 1122 SER A O 1 ATOM 8602 C CB . SER B 2 444 ? -29.427 -33.178 41.996 1.00 64.00 ? 1122 SER A CB 1 ATOM 8603 O OG . SER B 2 444 ? -28.860 -32.394 43.032 1.00 63.27 ? 1122 SER A OG 1 ATOM 8604 N N . GLN B 2 445 ? -30.490 -35.180 43.915 1.00 61.32 ? 1123 GLN A N 1 ATOM 8605 C CA . GLN B 2 445 ? -30.477 -35.798 45.233 1.00 61.86 ? 1123 GLN A CA 1 ATOM 8606 C C . GLN B 2 445 ? -29.290 -35.350 46.076 1.00 60.84 ? 1123 GLN A C 1 ATOM 8607 O O . GLN B 2 445 ? -28.972 -35.998 47.079 1.00 68.88 ? 1123 GLN A O 1 ATOM 8608 C CB . GLN B 2 445 ? -30.483 -37.324 45.101 1.00 65.12 ? 1123 GLN A CB 1 ATOM 8609 C CG . GLN B 2 445 ? -31.780 -37.906 44.568 1.00 73.00 ? 1123 GLN A CG 1 ATOM 8610 C CD . GLN B 2 445 ? -31.716 -39.413 44.414 1.00 84.94 ? 1123 GLN A CD 1 ATOM 8611 O OE1 . GLN B 2 445 ? -30.642 -40.011 44.505 1.00 89.09 ? 1123 GLN A OE1 1 ATOM 8612 N NE2 . GLN B 2 445 ? -32.866 -40.038 44.182 1.00 88.33 ? 1123 GLN A NE2 1 ATOM 8613 N N . TYR B 2 446 ? -28.624 -34.264 45.694 1.00 58.08 ? 1124 TYR A N 1 ATOM 8614 C CA . TYR B 2 446 ? -27.454 -33.810 46.433 1.00 54.72 ? 1124 TYR A CA 1 ATOM 8615 C C . TYR B 2 446 ? -27.889 -33.145 47.732 1.00 51.73 ? 1124 TYR A C 1 ATOM 8616 O O . TYR B 2 446 ? -28.703 -32.217 47.720 1.00 54.79 ? 1124 TYR A O 1 ATOM 8617 C CB . TYR B 2 446 ? -26.632 -32.843 45.589 1.00 50.43 ? 1124 TYR A CB 1 ATOM 8618 C CG . TYR B 2 446 ? -25.425 -32.307 46.320 1.00 45.51 ? 1124 TYR A CG 1 ATOM 8619 C CD1 . TYR B 2 446 ? -24.312 -33.107 46.530 1.00 42.21 ? 1124 TYR A CD1 1 ATOM 8620 C CD2 . TYR B 2 446 ? -25.399 -31.005 46.802 1.00 42.99 ? 1124 TYR A CD2 1 ATOM 8621 C CE1 . TYR B 2 446 ? -23.206 -32.630 47.196 1.00 39.49 ? 1124 TYR A CE1 1 ATOM 8622 C CE2 . TYR B 2 446 ? -24.292 -30.517 47.472 1.00 41.17 ? 1124 TYR A CE2 1 ATOM 8623 C CZ . TYR B 2 446 ? -23.198 -31.338 47.664 1.00 39.81 ? 1124 TYR A CZ 1 ATOM 8624 O OH . TYR B 2 446 ? -22.086 -30.877 48.327 1.00 39.80 ? 1124 TYR A OH 1 ATOM 8625 N N . GLN B 2 447 ? -27.346 -33.620 48.851 1.00 50.38 ? 1125 GLN A N 1 ATOM 8626 C CA . GLN B 2 447 ? -27.666 -33.072 50.165 1.00 56.96 ? 1125 GLN A CA 1 ATOM 8627 C C . GLN B 2 447 ? -26.442 -32.362 50.726 1.00 50.64 ? 1125 GLN A C 1 ATOM 8628 O O . GLN B 2 447 ? -25.561 -33.013 51.309 1.00 48.59 ? 1125 GLN A O 1 ATOM 8629 C CB . GLN B 2 447 ? -28.129 -34.179 51.119 1.00 62.03 ? 1125 GLN A CB 1 ATOM 8630 C CG . GLN B 2 447 ? -29.288 -35.001 50.588 1.00 67.13 ? 1125 GLN A CG 1 ATOM 8631 C CD . GLN B 2 447 ? -29.645 -36.159 51.495 1.00 72.18 ? 1125 GLN A CD 1 ATOM 8632 O OE1 . GLN B 2 447 ? -29.641 -36.030 52.721 1.00 70.59 ? 1125 GLN A OE1 1 ATOM 8633 N NE2 . GLN B 2 447 ? -29.952 -37.305 50.896 1.00 76.23 ? 1125 GLN A NE2 1 ATOM 8634 N N . PRO B 2 448 ? -26.332 -31.041 50.579 1.00 47.15 ? 1126 PRO A N 1 ATOM 8635 C CA . PRO B 2 448 ? -25.133 -30.359 51.088 1.00 45.76 ? 1126 PRO A CA 1 ATOM 8636 C C . PRO B 2 448 ? -25.057 -30.310 52.605 1.00 47.28 ? 1126 PRO A C 1 ATOM 8637 O O . PRO B 2 448 ? -23.947 -30.277 53.147 1.00 52.25 ? 1126 PRO A O 1 ATOM 8638 C CB . PRO B 2 448 ? -25.245 -28.954 50.479 1.00 44.45 ? 1126 PRO A CB 1 ATOM 8639 C CG . PRO B 2 448 ? -26.704 -28.762 50.235 1.00 42.10 ? 1126 PRO A CG 1 ATOM 8640 C CD . PRO B 2 448 ? -27.239 -30.121 49.871 1.00 44.25 ? 1126 PRO A CD 1 ATOM 8641 N N . ILE B 2 449 ? -26.188 -30.317 53.312 1.00 44.94 ? 1127 ILE A N 1 ATOM 8642 C CA . ILE B 2 449 ? -26.188 -30.130 54.757 1.00 48.07 ? 1127 ILE A CA 1 ATOM 8643 C C . ILE B 2 449 ? -27.224 -31.034 55.414 1.00 46.37 ? 1127 ILE A C 1 ATOM 8644 O O . ILE B 2 449 ? -28.265 -31.351 54.833 1.00 45.92 ? 1127 ILE A O 1 ATOM 8645 C CB . ILE B 2 449 ? -26.442 -28.652 55.134 1.00 51.32 ? 1127 ILE A CB 1 ATOM 8646 C CG1 . ILE B 2 449 ? -27.533 -28.043 54.254 1.00 56.77 ? 1127 ILE A CG1 1 ATOM 8647 C CG2 . ILE B 2 449 ? -25.164 -27.844 55.007 1.00 51.50 ? 1127 ILE A CG2 1 ATOM 8648 C CD1 . ILE B 2 449 ? -28.935 -28.223 54.780 1.00 60.32 ? 1127 ILE A CD1 1 ATOM 8649 N N . LYS B 2 450 ? -26.929 -31.438 56.647 1.00 46.39 ? 1128 LYS A N 1 ATOM 8650 C CA . LYS B 2 450 ? -27.845 -32.208 57.482 1.00 48.59 ? 1128 LYS A CA 1 ATOM 8651 C C . LYS B 2 450 ? -28.417 -31.292 58.557 1.00 50.95 ? 1128 LYS A C 1 ATOM 8652 O O . LYS B 2 450 ? -27.661 -30.691 59.328 1.00 54.98 ? 1128 LYS A O 1 ATOM 8653 C CB . LYS B 2 450 ? -27.128 -33.397 58.120 1.00 48.23 ? 1128 LYS A CB 1 ATOM 8654 C CG . LYS B 2 450 ? -27.990 -34.198 59.082 1.00 51.63 ? 1128 LYS A CG 1 ATOM 8655 C CD . LYS B 2 450 ? -29.151 -34.869 58.365 1.00 49.74 ? 1128 LYS A CD 1 ATOM 8656 C CE . LYS B 2 450 ? -29.923 -35.777 59.307 1.00 47.61 ? 1128 LYS A CE 1 ATOM 8657 N NZ . LYS B 2 450 ? -31.042 -36.480 58.620 1.00 47.67 ? 1128 LYS A NZ 1 ATOM 8658 N N . LEU B 2 451 ? -29.743 -31.191 58.614 1.00 51.44 ? 1129 LEU A N 1 ATOM 8659 C CA . LEU B 2 451 ? -30.410 -30.332 59.582 1.00 56.06 ? 1129 LEU A CA 1 ATOM 8660 C C . LEU B 2 451 ? -31.241 -31.162 60.557 1.00 61.84 ? 1129 LEU A C 1 ATOM 8661 O O . LEU B 2 451 ? -31.540 -32.335 60.313 1.00 63.96 ? 1129 LEU A O 1 ATOM 8662 C CB . LEU B 2 451 ? -31.291 -29.288 58.882 1.00 52.13 ? 1129 LEU A CB 1 ATOM 8663 C CG . LEU B 2 451 ? -30.520 -28.283 58.023 1.00 49.11 ? 1129 LEU A CG 1 ATOM 8664 C CD1 . LEU B 2 451 ? -31.459 -27.294 57.365 1.00 46.89 ? 1129 LEU A CD1 1 ATOM 8665 C CD2 . LEU B 2 451 ? -29.471 -27.547 58.841 1.00 50.39 ? 1129 LEU A CD2 1 ATOM 8666 N N . GLN B 2 452 ? -31.606 -30.532 61.674 1.00 62.21 ? 1130 GLN A N 1 ATOM 8667 C CA . GLN B 2 452 ? -32.336 -31.197 62.743 1.00 63.00 ? 1130 GLN A CA 1 ATOM 8668 C C . GLN B 2 452 ? -33.836 -31.208 62.456 1.00 64.91 ? 1130 GLN A C 1 ATOM 8669 O O . GLN B 2 452 ? -34.310 -30.730 61.421 1.00 62.68 ? 1130 GLN A O 1 ATOM 8670 C CB . GLN B 2 452 ? -32.066 -30.513 64.079 1.00 67.24 ? 1130 GLN A CB 1 ATOM 8671 C CG . GLN B 2 452 ? -30.672 -30.707 64.635 1.00 71.06 ? 1130 GLN A CG 1 ATOM 8672 C CD . GLN B 2 452 ? -30.435 -29.865 65.874 1.00 75.24 ? 1130 GLN A CD 1 ATOM 8673 O OE1 . GLN B 2 452 ? -30.947 -28.751 65.987 1.00 72.48 ? 1130 GLN A OE1 1 ATOM 8674 N NE2 . GLN B 2 452 ? -29.665 -30.398 66.814 1.00 80.14 ? 1130 GLN A NE2 1 ATOM 8675 N N . GLY B 2 453 ? -34.593 -31.757 63.405 1.00 69.36 ? 1131 GLY A N 1 ATOM 8676 C CA . GLY B 2 453 ? -36.037 -31.793 63.328 1.00 74.76 ? 1131 GLY A CA 1 ATOM 8677 C C . GLY B 2 453 ? -36.567 -33.073 62.708 1.00 79.28 ? 1131 GLY A C 1 ATOM 8678 O O . GLY B 2 453 ? -35.838 -33.880 62.124 1.00 79.99 ? 1131 GLY A O 1 ATOM 8679 N N . THR B 2 454 ? -37.877 -33.258 62.851 1.00 84.69 ? 1132 THR A N 1 ATOM 8680 C CA . THR B 2 454 ? -38.560 -34.357 62.187 1.00 92.35 ? 1132 THR A CA 1 ATOM 8681 C C . THR B 2 454 ? -38.570 -34.129 60.676 1.00 101.98 ? 1132 THR A C 1 ATOM 8682 O O . THR B 2 454 ? -38.200 -33.061 60.181 1.00 113.36 ? 1132 THR A O 1 ATOM 8683 C CB . THR B 2 454 ? -39.986 -34.493 62.714 1.00 91.37 ? 1132 THR A CB 1 ATOM 8684 O OG1 . THR B 2 454 ? -40.737 -33.323 62.366 1.00 89.75 ? 1132 THR A OG1 1 ATOM 8685 C CG2 . THR B 2 454 ? -39.970 -34.632 64.220 1.00 93.40 ? 1132 THR A CG2 1 ATOM 8686 N N . LEU B 2 455 ? -39.000 -35.154 59.939 1.00 99.78 ? 1133 LEU A N 1 ATOM 8687 C CA . LEU B 2 455 ? -39.054 -35.058 58.480 1.00 96.80 ? 1133 LEU A CA 1 ATOM 8688 C C . LEU B 2 455 ? -39.786 -33.814 57.987 1.00 95.60 ? 1133 LEU A C 1 ATOM 8689 O O . LEU B 2 455 ? -39.260 -33.136 57.089 1.00 102.48 ? 1133 LEU A O 1 ATOM 8690 C CB . LEU B 2 455 ? -39.673 -36.338 57.898 1.00 98.70 ? 1133 LEU A CB 1 ATOM 8691 C CG . LEU B 2 455 ? -38.711 -37.468 57.514 1.00 98.71 ? 1133 LEU A CG 1 ATOM 8692 C CD1 . LEU B 2 455 ? -37.949 -37.998 58.719 1.00 96.49 ? 1133 LEU A CD1 1 ATOM 8693 C CD2 . LEU B 2 455 ? -39.459 -38.595 56.823 1.00 100.54 ? 1133 LEU A CD2 1 ATOM 8694 N N . PRO B 2 456 ? -40.959 -33.443 58.518 1.00 89.40 ? 1134 PRO A N 1 ATOM 8695 C CA . PRO B 2 456 ? -41.541 -32.153 58.108 1.00 86.80 ? 1134 PRO A CA 1 ATOM 8696 C C . PRO B 2 456 ? -40.715 -30.959 58.553 1.00 80.69 ? 1134 PRO A C 1 ATOM 8697 O O . PRO B 2 456 ? -40.520 -30.019 57.769 1.00 79.31 ? 1134 PRO A O 1 ATOM 8698 C CB . PRO B 2 456 ? -42.927 -32.166 58.770 1.00 88.81 ? 1134 PRO A CB 1 ATOM 8699 C CG . PRO B 2 456 ? -43.213 -33.601 59.032 1.00 89.39 ? 1134 PRO A CG 1 ATOM 8700 C CD . PRO B 2 456 ? -41.890 -34.206 59.367 1.00 88.16 ? 1134 PRO A CD 1 ATOM 8701 N N . VAL B 2 457 ? -40.225 -30.965 59.794 1.00 77.04 ? 1135 VAL A N 1 ATOM 8702 C CA . VAL B 2 457 ? -39.448 -29.831 60.287 1.00 74.45 ? 1135 VAL A CA 1 ATOM 8703 C C . VAL B 2 457 ? -38.115 -29.740 59.557 1.00 69.09 ? 1135 VAL A C 1 ATOM 8704 O O . VAL B 2 457 ? -37.649 -28.645 59.219 1.00 66.37 ? 1135 VAL A O 1 ATOM 8705 C CB . VAL B 2 457 ? -39.256 -29.936 61.811 1.00 73.30 ? 1135 VAL A CB 1 ATOM 8706 C CG1 . VAL B 2 457 ? -38.462 -28.749 62.328 1.00 71.52 ? 1135 VAL A CG1 1 ATOM 8707 C CG2 . VAL B 2 457 ? -40.603 -30.019 62.504 1.00 75.01 ? 1135 VAL A CG2 1 ATOM 8708 N N . GLU B 2 458 ? -37.481 -30.887 59.302 1.00 67.85 ? 1136 GLU A N 1 ATOM 8709 C CA . GLU B 2 458 ? -36.274 -30.896 58.487 1.00 65.50 ? 1136 GLU A CA 1 ATOM 8710 C C . GLU B 2 458 ? -36.554 -30.388 57.080 1.00 69.87 ? 1136 GLU A C 1 ATOM 8711 O O . GLU B 2 458 ? -35.705 -29.718 56.482 1.00 74.16 ? 1136 GLU A O 1 ATOM 8712 C CB . GLU B 2 458 ? -35.681 -32.304 58.436 1.00 63.61 ? 1136 GLU A CB 1 ATOM 8713 C CG . GLU B 2 458 ? -34.366 -32.386 57.682 1.00 65.85 ? 1136 GLU A CG 1 ATOM 8714 C CD . GLU B 2 458 ? -33.880 -33.806 57.502 1.00 64.86 ? 1136 GLU A CD 1 ATOM 8715 O OE1 . GLU B 2 458 ? -34.722 -34.730 57.512 1.00 64.46 ? 1136 GLU A OE1 1 ATOM 8716 O OE2 . GLU B 2 458 ? -32.654 -33.996 57.350 1.00 63.75 ? 1136 GLU A OE2 1 ATOM 8717 N N . ALA B 2 459 ? -37.738 -30.690 56.539 1.00 71.49 ? 1137 ALA A N 1 ATOM 8718 C CA . ALA B 2 459 ? -38.100 -30.186 55.217 1.00 69.16 ? 1137 ALA A CA 1 ATOM 8719 C C . ALA B 2 459 ? -38.227 -28.666 55.222 1.00 67.08 ? 1137 ALA A C 1 ATOM 8720 O O . ALA B 2 459 ? -37.706 -27.988 54.328 1.00 64.81 ? 1137 ALA A O 1 ATOM 8721 C CB . ALA B 2 459 ? -39.400 -30.836 54.744 1.00 70.94 ? 1137 ALA A CB 1 ATOM 8722 N N . ARG B 2 460 ? -38.922 -28.112 56.220 1.00 67.05 ? 1138 ARG A N 1 ATOM 8723 C CA . ARG B 2 460 ? -39.026 -26.658 56.334 1.00 68.52 ? 1138 ARG A CA 1 ATOM 8724 C C . ARG B 2 460 ? -37.649 -26.017 56.463 1.00 63.75 ? 1138 ARG A C 1 ATOM 8725 O O . ARG B 2 460 ? -37.347 -25.019 55.794 1.00 61.20 ? 1138 ARG A O 1 ATOM 8726 C CB . ARG B 2 460 ? -39.896 -26.284 57.533 1.00 76.79 ? 1138 ARG A CB 1 ATOM 8727 C CG . ARG B 2 460 ? -41.243 -25.682 57.175 1.00 86.39 ? 1138 ARG A CG 1 ATOM 8728 C CD . ARG B 2 460 ? -42.268 -26.757 56.859 1.00 96.44 ? 1138 ARG A CD 1 ATOM 8729 N NE . ARG B 2 460 ? -43.589 -26.186 56.607 1.00 105.03 ? 1138 ARG A NE 1 ATOM 8730 C CZ . ARG B 2 460 ? -44.694 -26.905 56.442 1.00 110.19 ? 1138 ARG A CZ 1 ATOM 8731 N NH1 . ARG B 2 460 ? -44.643 -28.229 56.506 1.00 110.86 ? 1138 ARG A NH1 1 ATOM 8732 N NH2 . ARG B 2 460 ? -45.853 -26.301 56.216 1.00 112.60 ? 1138 ARG A NH2 1 ATOM 8733 N N . GLU B 2 461 ? -36.802 -26.580 57.328 1.00 59.69 ? 1139 GLU A N 1 ATOM 8734 C CA . GLU B 2 461 ? -35.465 -26.032 57.532 1.00 58.50 ? 1139 GLU A CA 1 ATOM 8735 C C . GLU B 2 461 ? -34.660 -26.042 56.239 1.00 58.69 ? 1139 GLU A C 1 ATOM 8736 O O . GLU B 2 461 ? -34.073 -25.025 55.848 1.00 53.39 ? 1139 GLU A O 1 ATOM 8737 C CB . GLU B 2 461 ? -34.745 -26.824 58.623 1.00 59.93 ? 1139 GLU A CB 1 ATOM 8738 C CG . GLU B 2 461 ? -34.870 -26.234 60.014 1.00 62.09 ? 1139 GLU A CG 1 ATOM 8739 C CD . GLU B 2 461 ? -33.710 -25.326 60.357 1.00 65.39 ? 1139 GLU A CD 1 ATOM 8740 O OE1 . GLU B 2 461 ? -32.563 -25.820 60.409 1.00 63.61 ? 1139 GLU A OE1 1 ATOM 8741 O OE2 . GLU B 2 461 ? -33.940 -24.117 60.563 1.00 72.68 ? 1139 GLU A OE2 1 ATOM 8742 N N . ASN B 2 462 ? -34.625 -27.189 55.555 1.00 59.78 ? 1140 ASN A N 1 ATOM 8743 C CA . ASN B 2 462 ? -33.854 -27.280 54.323 1.00 58.15 ? 1140 ASN A CA 1 ATOM 8744 C C . ASN B 2 462 ? -34.418 -26.358 53.252 1.00 53.21 ? 1140 ASN A C 1 ATOM 8745 O O . ASN B 2 462 ? -33.660 -25.807 52.448 1.00 47.87 ? 1140 ASN A O 1 ATOM 8746 C CB . ASN B 2 462 ? -33.817 -28.728 53.832 1.00 64.31 ? 1140 ASN A CB 1 ATOM 8747 C CG . ASN B 2 462 ? -32.759 -28.958 52.762 1.00 73.86 ? 1140 ASN A CG 1 ATOM 8748 O OD1 . ASN B 2 462 ? -31.708 -28.312 52.755 1.00 76.14 ? 1140 ASN A OD1 1 ATOM 8749 N ND2 . ASN B 2 462 ? -33.034 -29.883 51.850 1.00 78.26 ? 1140 ASN A ND2 1 ATOM 8750 N N . SER B 2 463 ? -35.736 -26.159 53.239 1.00 54.47 ? 1141 SER A N 1 ATOM 8751 C CA . SER B 2 463 ? -36.337 -25.250 52.268 1.00 54.59 ? 1141 SER A CA 1 ATOM 8752 C C . SER B 2 463 ? -35.912 -23.810 52.532 1.00 51.36 ? 1141 SER A C 1 ATOM 8753 O O . SER B 2 463 ? -35.557 -23.075 51.602 1.00 50.44 ? 1141 SER A O 1 ATOM 8754 C CB . SER B 2 463 ? -37.858 -25.382 52.300 1.00 58.85 ? 1141 SER A CB 1 ATOM 8755 O OG . SER B 2 463 ? -38.458 -24.475 51.397 1.00 65.54 ? 1141 SER A OG 1 ATOM 8756 N N . LEU B 2 464 ? -35.939 -23.393 53.799 1.00 52.06 ? 1142 LEU A N 1 ATOM 8757 C CA . LEU B 2 464 ? -35.465 -22.057 54.151 1.00 47.36 ? 1142 LEU A CA 1 ATOM 8758 C C . LEU B 2 464 ? -34.000 -21.879 53.767 1.00 44.22 ? 1142 LEU A C 1 ATOM 8759 O O . LEU B 2 464 ? -33.618 -20.865 53.166 1.00 47.12 ? 1142 LEU A O 1 ATOM 8760 C CB . LEU B 2 464 ? -35.661 -21.822 55.646 1.00 48.10 ? 1142 LEU A CB 1 ATOM 8761 C CG . LEU B 2 464 ? -35.494 -20.397 56.152 1.00 51.58 ? 1142 LEU A CG 1 ATOM 8762 C CD1 . LEU B 2 464 ? -36.700 -19.583 55.741 1.00 54.73 ? 1142 LEU A CD1 1 ATOM 8763 C CD2 . LEU B 2 464 ? -35.324 -20.392 57.659 1.00 54.24 ? 1142 LEU A CD2 1 ATOM 8764 N N . TYR B 2 465 ? -33.167 -22.870 54.097 1.00 41.89 ? 1143 TYR A N 1 ATOM 8765 C CA . TYR B 2 465 ? -31.743 -22.791 53.787 1.00 38.98 ? 1143 TYR A CA 1 ATOM 8766 C C . TYR B 2 465 ? -31.506 -22.679 52.283 1.00 43.62 ? 1143 TYR A C 1 ATOM 8767 O O . TYR B 2 465 ? -30.749 -21.813 51.828 1.00 47.03 ? 1143 TYR A O 1 ATOM 8768 C CB . TYR B 2 465 ? -31.010 -24.007 54.359 1.00 33.38 ? 1143 TYR A CB 1 ATOM 8769 C CG . TYR B 2 465 ? -29.636 -24.199 53.757 1.00 37.31 ? 1143 TYR A CG 1 ATOM 8770 C CD1 . TYR B 2 465 ? -28.548 -23.458 54.208 1.00 34.12 ? 1143 TYR A CD1 1 ATOM 8771 C CD2 . TYR B 2 465 ? -29.428 -25.105 52.722 1.00 34.82 ? 1143 TYR A CD2 1 ATOM 8772 C CE1 . TYR B 2 465 ? -27.290 -23.620 53.650 1.00 36.31 ? 1143 TYR A CE1 1 ATOM 8773 C CE2 . TYR B 2 465 ? -28.175 -25.271 52.155 1.00 34.75 ? 1143 TYR A CE2 1 ATOM 8774 C CZ . TYR B 2 465 ? -27.110 -24.529 52.621 1.00 36.05 ? 1143 TYR A CZ 1 ATOM 8775 O OH . TYR B 2 465 ? -25.865 -24.695 52.058 1.00 32.53 ? 1143 TYR A OH 1 ATOM 8776 N N . LEU B 2 466 ? -32.139 -23.554 51.494 1.00 43.55 ? 1144 LEU A N 1 ATOM 8777 C CA . LEU B 2 466 ? -31.935 -23.531 50.047 1.00 42.01 ? 1144 LEU A CA 1 ATOM 8778 C C . LEU B 2 466 ? -32.428 -22.228 49.440 1.00 43.82 ? 1144 LEU A C 1 ATOM 8779 O O . LEU B 2 466 ? -31.801 -21.688 48.520 1.00 45.15 ? 1144 LEU A O 1 ATOM 8780 C CB . LEU B 2 466 ? -32.640 -24.713 49.382 1.00 37.10 ? 1144 LEU A CB 1 ATOM 8781 C CG . LEU B 2 466 ? -32.399 -24.802 47.871 1.00 35.67 ? 1144 LEU A CG 1 ATOM 8782 C CD1 . LEU B 2 466 ? -30.928 -25.048 47.603 1.00 33.97 ? 1144 LEU A CD1 1 ATOM 8783 C CD2 . LEU B 2 466 ? -33.245 -25.882 47.223 1.00 34.59 ? 1144 LEU A CD2 1 ATOM 8784 N N . THR B 2 467 ? -33.559 -21.714 49.930 1.00 44.95 ? 1145 THR A N 1 ATOM 8785 C CA . THR B 2 467 ? -34.075 -20.452 49.412 1.00 45.38 ? 1145 THR A CA 1 ATOM 8786 C C . THR B 2 467 ? -33.108 -19.310 49.692 1.00 49.45 ? 1145 THR A C 1 ATOM 8787 O O . THR B 2 467 ? -32.838 -18.489 48.807 1.00 49.73 ? 1145 THR A O 1 ATOM 8788 C CB . THR B 2 467 ? -35.450 -20.156 50.009 1.00 47.13 ? 1145 THR A CB 1 ATOM 8789 O OG1 . THR B 2 467 ? -36.352 -21.216 49.671 1.00 53.34 ? 1145 THR A OG1 1 ATOM 8790 C CG2 . THR B 2 467 ? -36.001 -18.842 49.467 1.00 43.22 ? 1145 THR A CG2 1 ATOM 8791 N N . ALA B 2 468 ? -32.564 -19.246 50.913 1.00 49.91 ? 1146 ALA A N 1 ATOM 8792 C CA . ALA B 2 468 ? -31.598 -18.194 51.220 1.00 47.04 ? 1146 ALA A CA 1 ATOM 8793 C C . ALA B 2 468 ? -30.328 -18.342 50.387 1.00 47.77 ? 1146 ALA A C 1 ATOM 8794 O O . ALA B 2 468 ? -29.770 -17.344 49.913 1.00 50.67 ? 1146 ALA A O 1 ATOM 8795 C CB . ALA B 2 468 ? -31.264 -18.202 52.709 1.00 44.47 ? 1146 ALA A CB 1 ATOM 8796 N N . PHE B 2 469 ? -29.858 -19.578 50.202 1.00 44.28 ? 1147 PHE A N 1 ATOM 8797 C CA . PHE B 2 469 ? -28.652 -19.819 49.413 1.00 44.46 ? 1147 PHE A CA 1 ATOM 8798 C C . PHE B 2 469 ? -28.850 -19.370 47.969 1.00 45.72 ? 1147 PHE A C 1 ATOM 8799 O O . PHE B 2 469 ? -28.005 -18.666 47.394 1.00 47.42 ? 1147 PHE A O 1 ATOM 8800 C CB . PHE B 2 469 ? -28.296 -21.307 49.484 1.00 39.57 ? 1147 PHE A CB 1 ATOM 8801 C CG . PHE B 2 469 ? -26.875 -21.627 49.104 1.00 40.54 ? 1147 PHE A CG 1 ATOM 8802 C CD1 . PHE B 2 469 ? -25.857 -21.543 50.039 1.00 41.55 ? 1147 PHE A CD1 1 ATOM 8803 C CD2 . PHE B 2 469 ? -26.564 -22.055 47.822 1.00 41.85 ? 1147 PHE A CD2 1 ATOM 8804 C CE1 . PHE B 2 469 ? -24.551 -21.855 49.699 1.00 40.42 ? 1147 PHE A CE1 1 ATOM 8805 C CE2 . PHE B 2 469 ? -25.261 -22.369 47.475 1.00 40.95 ? 1147 PHE A CE2 1 ATOM 8806 C CZ . PHE B 2 469 ? -24.255 -22.268 48.414 1.00 41.26 ? 1147 PHE A CZ 1 ATOM 8807 N N . THR B 2 470 ? -29.981 -19.757 47.375 1.00 40.79 ? 1148 THR A N 1 ATOM 8808 C CA . THR B 2 470 ? -30.294 -19.331 46.017 1.00 42.69 ? 1148 THR A CA 1 ATOM 8809 C C . THR B 2 470 ? -30.416 -17.817 45.927 1.00 44.17 ? 1148 THR A C 1 ATOM 8810 O O . THR B 2 470 ? -29.948 -17.207 44.959 1.00 44.54 ? 1148 THR A O 1 ATOM 8811 C CB . THR B 2 470 ? -31.582 -19.998 45.546 1.00 47.84 ? 1148 THR A CB 1 ATOM 8812 O OG1 . THR B 2 470 ? -31.481 -21.414 45.736 1.00 51.64 ? 1148 THR A OG1 1 ATOM 8813 C CG2 . THR B 2 470 ? -31.814 -19.706 44.079 1.00 46.89 ? 1148 THR A CG2 1 ATOM 8814 N N . VAL B 2 471 ? -31.048 -17.191 46.926 1.00 43.83 ? 1149 VAL A N 1 ATOM 8815 C CA . VAL B 2 471 ? -31.154 -15.734 46.940 1.00 41.19 ? 1149 VAL A CA 1 ATOM 8816 C C . VAL B 2 471 ? -29.769 -15.099 46.931 1.00 40.93 ? 1149 VAL A C 1 ATOM 8817 O O . VAL B 2 471 ? -29.512 -14.156 46.175 1.00 40.46 ? 1149 VAL A O 1 ATOM 8818 C CB . VAL B 2 471 ? -31.993 -15.267 48.144 1.00 38.86 ? 1149 VAL A CB 1 ATOM 8819 C CG1 . VAL B 2 471 ? -31.706 -13.804 48.481 1.00 35.74 ? 1149 VAL A CG1 1 ATOM 8820 C CG2 . VAL B 2 471 ? -33.463 -15.461 47.849 1.00 36.32 ? 1149 VAL A CG2 1 ATOM 8821 N N . ILE B 2 472 ? -28.851 -15.611 47.753 1.00 39.81 ? 1150 ILE A N 1 ATOM 8822 C CA . ILE B 2 472 ? -27.491 -15.078 47.754 1.00 38.80 ? 1150 ILE A CA 1 ATOM 8823 C C . ILE B 2 472 ? -26.881 -15.189 46.365 1.00 42.25 ? 1150 ILE A C 1 ATOM 8824 O O . ILE B 2 472 ? -26.292 -14.231 45.846 1.00 43.24 ? 1150 ILE A O 1 ATOM 8825 C CB . ILE B 2 472 ? -26.626 -15.797 48.801 1.00 38.02 ? 1150 ILE A CB 1 ATOM 8826 C CG1 . ILE B 2 472 ? -27.173 -15.544 50.207 1.00 37.98 ? 1150 ILE A CG1 1 ATOM 8827 C CG2 . ILE B 2 472 ? -25.186 -15.330 48.694 1.00 35.00 ? 1150 ILE A CG2 1 ATOM 8828 C CD1 . ILE B 2 472 ? -26.520 -16.390 51.271 1.00 35.39 ? 1150 ILE A CD1 1 ATOM 8829 N N . GLY B 2 473 ? -27.027 -16.358 45.735 1.00 45.17 ? 1151 GLY A N 1 ATOM 8830 C CA . GLY B 2 473 ? -26.444 -16.539 44.414 1.00 39.05 ? 1151 GLY A CA 1 ATOM 8831 C C . GLY B 2 473 ? -27.009 -15.572 43.392 1.00 42.64 ? 1151 GLY A C 1 ATOM 8832 O O . GLY B 2 473 ? -26.271 -14.957 42.619 1.00 43.61 ? 1151 GLY A O 1 ATOM 8833 N N . ILE B 2 474 ? -28.333 -15.414 43.384 1.00 44.24 ? 1152 ILE A N 1 ATOM 8834 C CA . ILE B 2 474 ? -28.970 -14.545 42.404 1.00 43.52 ? 1152 ILE A CA 1 ATOM 8835 C C . ILE B 2 474 ? -28.598 -13.091 42.655 1.00 48.34 ? 1152 ILE A C 1 ATOM 8836 O O . ILE B 2 474 ? -28.363 -12.324 41.714 1.00 53.97 ? 1152 ILE A O 1 ATOM 8837 C CB . ILE B 2 474 ? -30.494 -14.756 42.428 1.00 44.22 ? 1152 ILE A CB 1 ATOM 8838 C CG1 . ILE B 2 474 ? -30.843 -16.179 41.987 1.00 35.29 ? 1152 ILE A CG1 1 ATOM 8839 C CG2 . ILE B 2 474 ? -31.194 -13.718 41.569 1.00 40.54 ? 1152 ILE A CG2 1 ATOM 8840 C CD1 . ILE B 2 474 ? -32.322 -16.473 42.032 1.00 36.05 ? 1152 ILE A CD1 1 ATOM 8841 N N . ARG B 2 475 ? -28.526 -12.689 43.926 1.00 48.91 ? 1153 ARG A N 1 ATOM 8842 C CA . ARG B 2 475 ? -28.150 -11.316 44.246 1.00 47.64 ? 1153 ARG A CA 1 ATOM 8843 C C . ARG B 2 475 ? -26.724 -11.021 43.808 1.00 48.68 ? 1153 ARG A C 1 ATOM 8844 O O . ARG B 2 475 ? -26.438 -9.928 43.308 1.00 48.16 ? 1153 ARG A O 1 ATOM 8845 C CB . ARG B 2 475 ? -28.303 -11.058 45.746 1.00 46.36 ? 1153 ARG A CB 1 ATOM 8846 C CG . ARG B 2 475 ? -29.734 -10.986 46.246 1.00 49.13 ? 1153 ARG A CG 1 ATOM 8847 C CD . ARG B 2 475 ? -30.380 -9.641 45.972 1.00 49.35 ? 1153 ARG A CD 1 ATOM 8848 N NE . ARG B 2 475 ? -31.718 -9.587 46.552 1.00 50.83 ? 1153 ARG A NE 1 ATOM 8849 C CZ . ARG B 2 475 ? -32.568 -8.580 46.387 1.00 48.81 ? 1153 ARG A CZ 1 ATOM 8850 N NH1 . ARG B 2 475 ? -32.220 -7.532 45.655 1.00 49.18 ? 1153 ARG A NH1 1 ATOM 8851 N NH2 . ARG B 2 475 ? -33.768 -8.622 46.954 1.00 45.22 ? 1153 ARG A NH2 1 ATOM 8852 N N . LYS B 2 476 ? -25.812 -11.983 43.993 1.00 47.35 ? 1154 LYS A N 1 ATOM 8853 C CA . LYS B 2 476 ? -24.409 -11.750 43.661 1.00 45.46 ? 1154 LYS A CA 1 ATOM 8854 C C . LYS B 2 476 ? -24.178 -11.613 42.161 1.00 47.91 ? 1154 LYS A C 1 ATOM 8855 O O . LYS B 2 476 ? -23.157 -11.050 41.752 1.00 49.46 ? 1154 LYS A O 1 ATOM 8856 C CB . LYS B 2 476 ? -23.543 -12.884 44.211 1.00 46.69 ? 1154 LYS A CB 1 ATOM 8857 C CG . LYS B 2 476 ? -23.490 -12.961 45.724 1.00 46.76 ? 1154 LYS A CG 1 ATOM 8858 C CD . LYS B 2 476 ? -22.533 -11.942 46.305 1.00 48.36 ? 1154 LYS A CD 1 ATOM 8859 C CE . LYS B 2 476 ? -22.253 -12.254 47.764 1.00 46.49 ? 1154 LYS A CE 1 ATOM 8860 N NZ . LYS B 2 476 ? -21.150 -11.422 48.307 1.00 46.52 ? 1154 LYS A NZ 1 ATOM 8861 N N . ALA B 2 477 ? -25.101 -12.108 41.337 1.00 44.39 ? 1155 ALA A N 1 ATOM 8862 C CA . ALA B 2 477 ? -24.946 -12.110 39.891 1.00 40.13 ? 1155 ALA A CA 1 ATOM 8863 C C . ALA B 2 477 ? -26.033 -11.310 39.185 1.00 49.49 ? 1155 ALA A C 1 ATOM 8864 O O . ALA B 2 477 ? -26.168 -11.415 37.960 1.00 54.49 ? 1155 ALA A O 1 ATOM 8865 C CB . ALA B 2 477 ? -24.935 -13.549 39.372 1.00 35.43 ? 1155 ALA A CB 1 ATOM 8866 N N . PHE B 2 478 ? -26.808 -10.510 39.921 1.00 46.59 ? 1156 PHE A N 1 ATOM 8867 C CA . PHE B 2 478 ? -27.961 -9.846 39.324 1.00 43.05 ? 1156 PHE A CA 1 ATOM 8868 C C . PHE B 2 478 ? -27.537 -8.741 38.364 1.00 45.76 ? 1156 PHE A C 1 ATOM 8869 O O . PHE B 2 478 ? -28.176 -8.537 37.325 1.00 46.60 ? 1156 PHE A O 1 ATOM 8870 C CB . PHE B 2 478 ? -28.869 -9.286 40.422 1.00 37.11 ? 1156 PHE A CB 1 ATOM 8871 C CG . PHE B 2 478 ? -30.108 -8.611 39.903 1.00 39.31 ? 1156 PHE A CG 1 ATOM 8872 C CD1 . PHE B 2 478 ? -31.238 -9.352 39.587 1.00 38.49 ? 1156 PHE A CD1 1 ATOM 8873 C CD2 . PHE B 2 478 ? -30.146 -7.235 39.737 1.00 38.87 ? 1156 PHE A CD2 1 ATOM 8874 C CE1 . PHE B 2 478 ? -32.380 -8.730 39.109 1.00 42.88 ? 1156 PHE A CE1 1 ATOM 8875 C CE2 . PHE B 2 478 ? -31.284 -6.610 39.260 1.00 42.26 ? 1156 PHE A CE2 1 ATOM 8876 C CZ . PHE B 2 478 ? -32.402 -7.358 38.946 1.00 44.15 ? 1156 PHE A CZ 1 ATOM 8877 N N . ASP B 2 479 ? -26.469 -8.014 38.693 1.00 44.35 ? 1157 ASP A N 1 ATOM 8878 C CA . ASP B 2 479 ? -26.072 -6.885 37.860 1.00 46.32 ? 1157 ASP A CA 1 ATOM 8879 C C . ASP B 2 479 ? -25.606 -7.324 36.476 1.00 51.09 ? 1157 ASP A C 1 ATOM 8880 O O . ASP B 2 479 ? -25.654 -6.520 35.536 1.00 52.98 ? 1157 ASP A O 1 ATOM 8881 C CB . ASP B 2 479 ? -24.977 -6.074 38.556 1.00 47.45 ? 1157 ASP A CB 1 ATOM 8882 C CG . ASP B 2 479 ? -25.475 -5.370 39.812 1.00 55.64 ? 1157 ASP A CG 1 ATOM 8883 O OD1 . ASP B 2 479 ? -26.674 -5.015 39.880 1.00 53.52 ? 1157 ASP A OD1 1 ATOM 8884 O OD2 . ASP B 2 479 ? -24.657 -5.164 40.733 1.00 62.69 ? 1157 ASP A OD2 1 ATOM 8885 N N . ILE B 2 480 ? -25.166 -8.576 36.327 1.00 50.12 ? 1158 ILE A N 1 ATOM 8886 C CA . ILE B 2 480 ? -24.783 -9.078 35.010 1.00 45.29 ? 1158 ILE A CA 1 ATOM 8887 C C . ILE B 2 480 ? -25.997 -9.158 34.096 1.00 53.70 ? 1158 ILE A C 1 ATOM 8888 O O . ILE B 2 480 ? -25.904 -8.885 32.891 1.00 59.01 ? 1158 ILE A O 1 ATOM 8889 C CB . ILE B 2 480 ? -24.096 -10.448 35.137 1.00 41.05 ? 1158 ILE A CB 1 ATOM 8890 C CG1 . ILE B 2 480 ? -22.872 -10.362 36.038 1.00 38.92 ? 1158 ILE A CG1 1 ATOM 8891 C CG2 . ILE B 2 480 ? -23.674 -10.959 33.780 1.00 47.50 ? 1158 ILE A CG2 1 ATOM 8892 C CD1 . ILE B 2 480 ? -22.342 -11.717 36.399 1.00 36.86 ? 1158 ILE A CD1 1 ATOM 8893 N N . CYS B 2 481 ? -27.152 -9.527 34.648 1.00 53.87 ? 1159 CYS A N 1 ATOM 8894 C CA . CYS B 2 481 ? -28.366 -9.763 33.866 1.00 53.53 ? 1159 CYS A CA 1 ATOM 8895 C C . CYS B 2 481 ? -29.573 -9.223 34.628 1.00 53.40 ? 1159 CYS A C 1 ATOM 8896 O O . CYS B 2 481 ? -30.419 -9.985 35.107 1.00 55.02 ? 1159 CYS A O 1 ATOM 8897 C CB . CYS B 2 481 ? -28.518 -11.257 33.560 1.00 51.28 ? 1159 CYS A CB 1 ATOM 8898 S SG . CYS B 2 481 ? -29.814 -11.664 32.383 1.00 56.26 ? 1159 CYS A SG 1 ATOM 8899 N N . PRO B 2 482 ? -29.693 -7.887 34.743 1.00 54.69 ? 1160 PRO A N 1 ATOM 8900 C CA . PRO B 2 482 ? -30.762 -7.305 35.573 1.00 55.55 ? 1160 PRO A CA 1 ATOM 8901 C C . PRO B 2 482 ? -32.147 -7.392 34.945 1.00 55.96 ? 1160 PRO A C 1 ATOM 8902 O O . PRO B 2 482 ? -32.705 -6.385 34.496 1.00 53.98 ? 1160 PRO A O 1 ATOM 8903 C CB . PRO B 2 482 ? -30.316 -5.847 35.736 1.00 55.51 ? 1160 PRO A CB 1 ATOM 8904 C CG . PRO B 2 482 ? -29.532 -5.567 34.497 1.00 54.33 ? 1160 PRO A CG 1 ATOM 8905 C CD . PRO B 2 482 ? -28.831 -6.851 34.144 1.00 53.93 ? 1160 PRO A CD 1 ATOM 8906 N N . LEU B 2 483 ? -32.717 -8.592 34.935 1.00 57.74 ? 1161 LEU A N 1 ATOM 8907 C CA . LEU B 2 483 ? -34.026 -8.827 34.343 1.00 56.84 ? 1161 LEU A CA 1 ATOM 8908 C C . LEU B 2 483 ? -35.132 -8.541 35.350 1.00 57.71 ? 1161 LEU A C 1 ATOM 8909 O O . LEU B 2 483 ? -34.994 -8.829 36.542 1.00 64.84 ? 1161 LEU A O 1 ATOM 8910 C CB . LEU B 2 483 ? -34.135 -10.270 33.848 1.00 58.04 ? 1161 LEU A CB 1 ATOM 8911 C CG . LEU B 2 483 ? -33.856 -10.534 32.367 1.00 59.03 ? 1161 LEU A CG 1 ATOM 8912 C CD1 . LEU B 2 483 ? -32.676 -9.718 31.878 1.00 55.72 ? 1161 LEU A CD1 1 ATOM 8913 C CD2 . LEU B 2 483 ? -33.620 -12.019 32.120 1.00 56.78 ? 1161 LEU A CD2 1 ATOM 8914 N N . VAL B 2 484 ? -36.234 -7.972 34.858 1.00 56.09 ? 1162 VAL A N 1 ATOM 8915 C CA . VAL B 2 484 ? -37.383 -7.713 35.719 1.00 59.46 ? 1162 VAL A CA 1 ATOM 8916 C C . VAL B 2 484 ? -37.959 -9.019 36.244 1.00 62.95 ? 1162 VAL A C 1 ATOM 8917 O O . VAL B 2 484 ? -38.429 -9.089 37.388 1.00 65.43 ? 1162 VAL A O 1 ATOM 8918 C CB . VAL B 2 484 ? -38.439 -6.887 34.953 1.00 55.36 ? 1162 VAL A CB 1 ATOM 8919 C CG1 . VAL B 2 484 ? -39.685 -6.666 35.802 1.00 53.10 ? 1162 VAL A CG1 1 ATOM 8920 C CG2 . VAL B 2 484 ? -37.846 -5.560 34.525 1.00 46.66 ? 1162 VAL A CG2 1 ATOM 8921 N N . LYS B 2 485 ? -37.910 -10.077 35.431 1.00 63.19 ? 1163 LYS A N 1 ATOM 8922 C CA . LYS B 2 485 ? -38.479 -11.357 35.833 1.00 63.06 ? 1163 LYS A CA 1 ATOM 8923 C C . LYS B 2 485 ? -37.772 -11.907 37.065 1.00 65.19 ? 1163 LYS A C 1 ATOM 8924 O O . LYS B 2 485 ? -38.419 -12.326 38.037 1.00 69.08 ? 1163 LYS A O 1 ATOM 8925 C CB . LYS B 2 485 ? -38.396 -12.343 34.669 1.00 61.72 ? 1163 LYS A CB 1 ATOM 8926 C CG . LYS B 2 485 ? -39.164 -13.632 34.891 1.00 70.51 ? 1163 LYS A CG 1 ATOM 8927 C CD . LYS B 2 485 ? -39.162 -14.495 33.637 1.00 77.52 ? 1163 LYS A CD 1 ATOM 8928 C CE . LYS B 2 485 ? -40.004 -15.749 33.821 1.00 81.97 ? 1163 LYS A CE 1 ATOM 8929 N NZ . LYS B 2 485 ? -40.048 -16.567 32.577 1.00 84.69 ? 1163 LYS A NZ 1 ATOM 8930 N N . ILE B 2 486 ? -36.439 -11.900 37.052 1.00 63.34 ? 1164 ILE A N 1 ATOM 8931 C CA . ILE B 2 486 ? -35.705 -12.433 38.191 1.00 67.41 ? 1164 ILE A CA 1 ATOM 8932 C C . ILE B 2 486 ? -35.708 -11.468 39.370 1.00 64.88 ? 1164 ILE A C 1 ATOM 8933 O O . ILE B 2 486 ? -35.472 -11.896 40.506 1.00 64.01 ? 1164 ILE A O 1 ATOM 8934 C CB . ILE B 2 486 ? -34.267 -12.805 37.796 1.00 72.72 ? 1164 ILE A CB 1 ATOM 8935 C CG1 . ILE B 2 486 ? -33.440 -11.562 37.516 1.00 80.76 ? 1164 ILE A CG1 1 ATOM 8936 C CG2 . ILE B 2 486 ? -34.259 -13.680 36.557 1.00 72.43 ? 1164 ILE A CG2 1 ATOM 8937 C CD1 . ILE B 2 486 ? -32.021 -11.891 37.149 1.00 84.76 ? 1164 ILE A CD1 1 ATOM 8938 N N . ASP B 2 487 ? -35.971 -10.178 39.142 1.00 64.95 ? 1165 ASP A N 1 ATOM 8939 C CA . ASP B 2 487 ? -36.190 -9.278 40.270 1.00 63.99 ? 1165 ASP A CA 1 ATOM 8940 C C . ASP B 2 487 ? -37.505 -9.600 40.967 1.00 62.33 ? 1165 ASP A C 1 ATOM 8941 O O . ASP B 2 487 ? -37.578 -9.596 42.202 1.00 62.64 ? 1165 ASP A O 1 ATOM 8942 C CB . ASP B 2 487 ? -36.167 -7.820 39.810 1.00 65.84 ? 1165 ASP A CB 1 ATOM 8943 C CG . ASP B 2 487 ? -36.380 -6.843 40.959 1.00 68.78 ? 1165 ASP A CG 1 ATOM 8944 O OD1 . ASP B 2 487 ? -35.389 -6.462 41.618 1.00 66.99 ? 1165 ASP A OD1 1 ATOM 8945 O OD2 . ASP B 2 487 ? -37.542 -6.453 41.204 1.00 71.02 ? 1165 ASP A OD2 1 ATOM 8946 N N . THR B 2 488 ? -38.551 -9.886 40.188 1.00 60.36 ? 1166 THR A N 1 ATOM 8947 C CA . THR B 2 488 ? -39.801 -10.364 40.769 1.00 58.49 ? 1166 THR A CA 1 ATOM 8948 C C . THR B 2 488 ? -39.589 -11.663 41.539 1.00 59.37 ? 1166 THR A C 1 ATOM 8949 O O . THR B 2 488 ? -40.083 -11.817 42.665 1.00 62.43 ? 1166 THR A O 1 ATOM 8950 C CB . THR B 2 488 ? -40.842 -10.554 39.670 1.00 54.06 ? 1166 THR A CB 1 ATOM 8951 O OG1 . THR B 2 488 ? -41.076 -9.298 39.022 1.00 60.33 ? 1166 THR A OG1 1 ATOM 8952 C CG2 . THR B 2 488 ? -42.147 -11.083 40.251 1.00 52.37 ? 1166 THR A CG2 1 ATOM 8953 N N . ALA B 2 489 ? -38.851 -12.609 40.949 1.00 52.08 ? 1167 ALA A N 1 ATOM 8954 C CA . ALA B 2 489 ? -38.500 -13.821 41.685 1.00 53.11 ? 1167 ALA A CA 1 ATOM 8955 C C . ALA B 2 489 ? -37.795 -13.487 42.997 1.00 53.48 ? 1167 ALA A C 1 ATOM 8956 O O . ALA B 2 489 ? -38.096 -14.080 44.041 1.00 53.73 ? 1167 ALA A O 1 ATOM 8957 C CB . ALA B 2 489 ? -37.623 -14.727 40.822 1.00 46.97 ? 1167 ALA A CB 1 ATOM 8958 N N . LEU B 2 490 ? -36.858 -12.534 42.964 1.00 49.95 ? 1168 LEU A N 1 ATOM 8959 C CA . LEU B 2 490 ? -36.156 -12.142 44.181 1.00 46.98 ? 1168 LEU A CA 1 ATOM 8960 C C . LEU B 2 490 ? -37.123 -11.579 45.210 1.00 50.39 ? 1168 LEU A C 1 ATOM 8961 O O . LEU B 2 490 ? -36.958 -11.792 46.416 1.00 49.78 ? 1168 LEU A O 1 ATOM 8962 C CB . LEU B 2 490 ? -35.068 -11.120 43.862 1.00 42.34 ? 1168 LEU A CB 1 ATOM 8963 C CG . LEU B 2 490 ? -33.719 -11.667 43.405 1.00 43.42 ? 1168 LEU A CG 1 ATOM 8964 C CD1 . LEU B 2 490 ? -32.835 -10.541 42.889 1.00 41.32 ? 1168 LEU A CD1 1 ATOM 8965 C CD2 . LEU B 2 490 ? -33.035 -12.408 44.547 1.00 37.34 ? 1168 LEU A CD2 1 ATOM 8966 N N . ILE B 2 491 ? -38.144 -10.860 44.752 1.00 49.81 ? 1169 ILE A N 1 ATOM 8967 C CA . ILE B 2 491 ? -39.130 -10.320 45.676 1.00 52.54 ? 1169 ILE A CA 1 ATOM 8968 C C . ILE B 2 491 ? -39.916 -11.447 46.333 1.00 58.38 ? 1169 ILE A C 1 ATOM 8969 O O . ILE B 2 491 ? -40.101 -11.465 47.557 1.00 62.39 ? 1169 ILE A O 1 ATOM 8970 C CB . ILE B 2 491 ? -40.052 -9.327 44.948 1.00 53.65 ? 1169 ILE A CB 1 ATOM 8971 C CG1 . ILE B 2 491 ? -39.245 -8.112 44.479 1.00 56.79 ? 1169 ILE A CG1 1 ATOM 8972 C CG2 . ILE B 2 491 ? -41.191 -8.918 45.852 1.00 49.00 ? 1169 ILE A CG2 1 ATOM 8973 C CD1 . ILE B 2 491 ? -40.027 -7.155 43.596 1.00 55.71 ? 1169 ILE A CD1 1 ATOM 8974 N N . LYS B 2 492 ? -40.369 -12.420 45.537 1.00 56.05 ? 1170 LYS A N 1 ATOM 8975 C CA . LYS B 2 492 ? -41.147 -13.520 46.102 1.00 56.59 ? 1170 LYS A CA 1 ATOM 8976 C C . LYS B 2 492 ? -40.317 -14.320 47.100 1.00 59.46 ? 1170 LYS A C 1 ATOM 8977 O O . LYS B 2 492 ? -40.786 -14.646 48.200 1.00 64.72 ? 1170 LYS A O 1 ATOM 8978 C CB . LYS B 2 492 ? -41.675 -14.425 44.987 1.00 57.46 ? 1170 LYS A CB 1 ATOM 8979 C CG . LYS B 2 492 ? -42.713 -13.774 44.086 1.00 64.31 ? 1170 LYS A CG 1 ATOM 8980 C CD . LYS B 2 492 ? -43.522 -14.820 43.327 1.00 73.37 ? 1170 LYS A CD 1 ATOM 8981 C CE . LYS B 2 492 ? -42.625 -15.716 42.481 1.00 82.64 ? 1170 LYS A CE 1 ATOM 8982 N NZ . LYS B 2 492 ? -43.384 -16.778 41.758 1.00 86.56 ? 1170 LYS A NZ 1 ATOM 8983 N N . ALA B 2 493 ? -39.071 -14.634 46.736 1.00 56.70 ? 1171 ALA A N 1 ATOM 8984 C CA . ALA B 2 493 ? -38.202 -15.381 47.639 1.00 54.40 ? 1171 ALA A CA 1 ATOM 8985 C C . ALA B 2 493 ? -37.934 -14.599 48.918 1.00 59.77 ? 1171 ALA A C 1 ATOM 8986 O O . ALA B 2 493 ? -37.984 -15.160 50.022 1.00 55.35 ? 1171 ALA A O 1 ATOM 8987 C CB . ALA B 2 493 ? -36.892 -15.728 46.939 1.00 48.24 ? 1171 ALA A CB 1 ATOM 8988 N N . ASP B 2 494 ? -37.651 -13.299 48.789 1.00 63.13 ? 1172 ASP A N 1 ATOM 8989 C CA . ASP B 2 494 ? -37.447 -12.467 49.970 1.00 65.65 ? 1172 ASP A CA 1 ATOM 8990 C C . ASP B 2 494 ? -38.675 -12.483 50.867 1.00 69.41 ? 1172 ASP A C 1 ATOM 8991 O O . ASP B 2 494 ? -38.551 -12.500 52.097 1.00 72.83 ? 1172 ASP A O 1 ATOM 8992 C CB . ASP B 2 494 ? -37.096 -11.038 49.559 1.00 69.78 ? 1172 ASP A CB 1 ATOM 8993 C CG . ASP B 2 494 ? -35.607 -10.843 49.333 1.00 76.78 ? 1172 ASP A CG 1 ATOM 8994 O OD1 . ASP B 2 494 ? -34.919 -11.829 48.995 1.00 78.24 ? 1172 ASP A OD1 1 ATOM 8995 O OD2 . ASP B 2 494 ? -35.121 -9.703 49.496 1.00 81.77 ? 1172 ASP A OD2 1 ATOM 8996 N N . ASN B 2 495 ? -39.871 -12.491 50.274 1.00 69.27 ? 1173 ASN A N 1 ATOM 8997 C CA . ASN B 2 495 ? -41.079 -12.589 51.086 1.00 67.95 ? 1173 ASN A CA 1 ATOM 8998 C C . ASN B 2 495 ? -41.134 -13.918 51.828 1.00 63.38 ? 1173 ASN A C 1 ATOM 8999 O O . ASN B 2 495 ? -41.465 -13.957 53.020 1.00 63.19 ? 1173 ASN A O 1 ATOM 9000 C CB . ASN B 2 495 ? -42.321 -12.406 50.217 1.00 71.14 ? 1173 ASN A CB 1 ATOM 9001 C CG . ASN B 2 495 ? -42.509 -10.974 49.773 1.00 73.82 ? 1173 ASN A CG 1 ATOM 9002 O OD1 . ASN B 2 495 ? -42.202 -10.038 50.513 1.00 72.40 ? 1173 ASN A OD1 1 ATOM 9003 N ND2 . ASN B 2 495 ? -43.009 -10.792 48.558 1.00 77.00 ? 1173 ASN A ND2 1 ATOM 9004 N N . PHE B 2 496 ? -40.805 -15.017 51.143 1.00 56.84 ? 1174 PHE A N 1 ATOM 9005 C CA . PHE B 2 496 ? -40.807 -16.316 51.812 1.00 54.95 ? 1174 PHE A CA 1 ATOM 9006 C C . PHE B 2 496 ? -39.849 -16.322 52.997 1.00 56.87 ? 1174 PHE A C 1 ATOM 9007 O O . PHE B 2 496 ? -40.198 -16.783 54.091 1.00 58.30 ? 1174 PHE A O 1 ATOM 9008 C CB . PHE B 2 496 ? -40.438 -17.420 50.824 1.00 47.38 ? 1174 PHE A CB 1 ATOM 9009 C CG . PHE B 2 496 ? -40.396 -18.790 51.438 1.00 44.20 ? 1174 PHE A CG 1 ATOM 9010 C CD1 . PHE B 2 496 ? -39.226 -19.282 51.998 1.00 39.56 ? 1174 PHE A CD1 1 ATOM 9011 C CD2 . PHE B 2 496 ? -41.526 -19.590 51.448 1.00 47.00 ? 1174 PHE A CD2 1 ATOM 9012 C CE1 . PHE B 2 496 ? -39.188 -20.545 52.559 1.00 39.37 ? 1174 PHE A CE1 1 ATOM 9013 C CE2 . PHE B 2 496 ? -41.494 -20.856 52.006 1.00 44.96 ? 1174 PHE A CE2 1 ATOM 9014 C CZ . PHE B 2 496 ? -40.325 -21.334 52.561 1.00 43.58 ? 1174 PHE A CZ 1 ATOM 9015 N N . LEU B 2 497 ? -38.628 -15.822 52.789 1.00 54.58 ? 1175 LEU A N 1 ATOM 9016 C CA . LEU B 2 497 ? -37.666 -15.740 53.882 1.00 49.94 ? 1175 LEU A CA 1 ATOM 9017 C C . LEU B 2 497 ? -38.199 -14.881 55.020 1.00 55.67 ? 1175 LEU A C 1 ATOM 9018 O O . LEU B 2 497 ? -38.053 -15.237 56.196 1.00 56.62 ? 1175 LEU A O 1 ATOM 9019 C CB . LEU B 2 497 ? -36.335 -15.189 53.371 1.00 44.72 ? 1175 LEU A CB 1 ATOM 9020 C CG . LEU B 2 497 ? -35.517 -16.126 52.484 1.00 44.33 ? 1175 LEU A CG 1 ATOM 9021 C CD1 . LEU B 2 497 ? -34.259 -15.435 51.996 1.00 45.83 ? 1175 LEU A CD1 1 ATOM 9022 C CD2 . LEU B 2 497 ? -35.169 -17.405 53.229 1.00 42.46 ? 1175 LEU A CD2 1 ATOM 9023 N N . LEU B 2 498 ? -38.830 -13.751 54.693 1.00 57.50 ? 1176 LEU A N 1 ATOM 9024 C CA . LEU B 2 498 ? -39.332 -12.862 55.736 1.00 59.03 ? 1176 LEU A CA 1 ATOM 9025 C C . LEU B 2 498 ? -40.411 -13.540 56.570 1.00 61.58 ? 1176 LEU A C 1 ATOM 9026 O O . LEU B 2 498 ? -40.421 -13.420 57.799 1.00 59.61 ? 1176 LEU A O 1 ATOM 9027 C CB . LEU B 2 498 ? -39.861 -11.569 55.116 1.00 58.43 ? 1176 LEU A CB 1 ATOM 9028 C CG . LEU B 2 498 ? -38.815 -10.597 54.563 1.00 57.68 ? 1176 LEU A CG 1 ATOM 9029 C CD1 . LEU B 2 498 ? -39.486 -9.517 53.736 1.00 56.27 ? 1176 LEU A CD1 1 ATOM 9030 C CD2 . LEU B 2 498 ? -38.003 -9.974 55.685 1.00 59.48 ? 1176 LEU A CD2 1 ATOM 9031 N N . GLU B 2 499 ? -41.315 -14.278 55.925 1.00 66.27 ? 1177 GLU A N 1 ATOM 9032 C CA . GLU B 2 499 ? -42.440 -14.854 56.653 1.00 70.30 ? 1177 GLU A CA 1 ATOM 9033 C C . GLU B 2 499 ? -42.090 -16.162 57.356 1.00 66.44 ? 1177 GLU A C 1 ATOM 9034 O O . GLU B 2 499 ? -42.721 -16.499 58.363 1.00 68.55 ? 1177 GLU A O 1 ATOM 9035 C CB . GLU B 2 499 ? -43.621 -15.071 55.704 1.00 80.55 ? 1177 GLU A CB 1 ATOM 9036 C CG . GLU B 2 499 ? -44.515 -13.845 55.551 1.00 92.40 ? 1177 GLU A CG 1 ATOM 9037 C CD . GLU B 2 499 ? -45.372 -13.885 54.297 1.00 102.41 ? 1177 GLU A CD 1 ATOM 9038 O OE1 . GLU B 2 499 ? -44.807 -13.808 53.185 1.00 104.09 ? 1177 GLU A OE1 1 ATOM 9039 O OE2 . GLU B 2 499 ? -46.610 -13.994 54.422 1.00 108.47 ? 1177 GLU A OE2 1 ATOM 9040 N N . ASN B 2 500 ? -41.100 -16.906 56.869 1.00 64.15 ? 1178 ASN A N 1 ATOM 9041 C CA . ASN B 2 500 ? -40.882 -18.265 57.348 1.00 63.15 ? 1178 ASN A CA 1 ATOM 9042 C C . ASN B 2 500 ? -39.626 -18.442 58.192 1.00 60.67 ? 1178 ASN A C 1 ATOM 9043 O O . ASN B 2 500 ? -39.391 -19.548 58.693 1.00 57.77 ? 1178 ASN A O 1 ATOM 9044 C CB . ASN B 2 500 ? -40.844 -19.233 56.160 1.00 63.36 ? 1178 ASN A CB 1 ATOM 9045 C CG . ASN B 2 500 ? -42.150 -19.261 55.395 1.00 66.56 ? 1178 ASN A CG 1 ATOM 9046 O OD1 . ASN B 2 500 ? -43.025 -20.080 55.671 1.00 67.51 ? 1178 ASN A OD1 1 ATOM 9047 N ND2 . ASN B 2 500 ? -42.292 -18.359 54.428 1.00 69.16 ? 1178 ASN A ND2 1 ATOM 9048 N N . THR B 2 501 ? -38.817 -17.397 58.375 1.00 59.58 ? 1179 THR A N 1 ATOM 9049 C CA . THR B 2 501 ? -37.581 -17.557 59.137 1.00 57.94 ? 1179 THR A CA 1 ATOM 9050 C C . THR B 2 501 ? -37.868 -17.704 60.628 1.00 62.12 ? 1179 THR A C 1 ATOM 9051 O O . THR B 2 501 ? -37.341 -18.607 61.288 1.00 59.59 ? 1179 THR A O 1 ATOM 9052 C CB . THR B 2 501 ? -36.645 -16.378 58.878 1.00 55.43 ? 1179 THR A CB 1 ATOM 9053 O OG1 . THR B 2 501 ? -36.323 -16.325 57.484 1.00 59.64 ? 1179 THR A OG1 1 ATOM 9054 C CG2 . THR B 2 501 ? -35.361 -16.529 59.669 1.00 53.27 ? 1179 THR A CG2 1 ATOM 9055 N N . LEU B 2 502 ? -38.703 -16.827 61.176 1.00 65.14 ? 1180 LEU A N 1 ATOM 9056 C CA . LEU B 2 502 ? -39.102 -16.922 62.575 1.00 64.95 ? 1180 LEU A CA 1 ATOM 9057 C C . LEU B 2 502 ? -40.439 -17.647 62.693 1.00 68.28 ? 1180 LEU A C 1 ATOM 9058 O O . LEU B 2 502 ? -41.337 -17.431 61.877 1.00 73.16 ? 1180 LEU A O 1 ATOM 9059 C CB . LEU B 2 502 ? -39.194 -15.531 63.205 1.00 63.66 ? 1180 LEU A CB 1 ATOM 9060 C CG . LEU B 2 502 ? -37.910 -14.699 63.174 1.00 57.82 ? 1180 LEU A CG 1 ATOM 9061 C CD1 . LEU B 2 502 ? -38.152 -13.321 63.764 1.00 53.44 ? 1180 LEU A CD1 1 ATOM 9062 C CD2 . LEU B 2 502 ? -36.794 -15.418 63.914 1.00 56.07 ? 1180 LEU A CD2 1 ATOM 9063 N N . PRO B 2 503 ? -40.582 -18.508 63.714 1.00 67.25 ? 1181 PRO A N 1 ATOM 9064 C CA . PRO B 2 503 ? -39.580 -18.808 64.745 1.00 65.74 ? 1181 PRO A CA 1 ATOM 9065 C C . PRO B 2 503 ? -38.453 -19.703 64.246 1.00 64.36 ? 1181 PRO A C 1 ATOM 9066 O O . PRO B 2 503 ? -38.690 -20.662 63.510 1.00 67.24 ? 1181 PRO A O 1 ATOM 9067 C CB . PRO B 2 503 ? -40.397 -19.518 65.824 1.00 65.78 ? 1181 PRO A CB 1 ATOM 9068 C CG . PRO B 2 503 ? -41.498 -20.170 65.073 1.00 67.29 ? 1181 PRO A CG 1 ATOM 9069 C CD . PRO B 2 503 ? -41.845 -19.227 63.955 1.00 67.15 ? 1181 PRO A CD 1 ATOM 9070 N N . ALA B 2 504 ? -37.232 -19.379 64.656 1.00 58.97 ? 1182 ALA A N 1 ATOM 9071 C CA . ALA B 2 504 ? -36.060 -20.060 64.134 1.00 51.59 ? 1182 ALA A CA 1 ATOM 9072 C C . ALA B 2 504 ? -35.987 -21.493 64.649 1.00 53.49 ? 1182 ALA A C 1 ATOM 9073 O O . ALA B 2 504 ? -36.511 -21.825 65.713 1.00 56.83 ? 1182 ALA A O 1 ATOM 9074 C CB . ALA B 2 504 ? -34.793 -19.297 64.513 1.00 46.74 ? 1182 ALA A CB 1 ATOM 9075 N N . GLN B 2 505 ? -35.342 -22.350 63.859 1.00 54.84 ? 1183 GLN A N 1 ATOM 9076 C CA . GLN B 2 505 ? -35.072 -23.725 64.244 1.00 54.14 ? 1183 GLN A CA 1 ATOM 9077 C C . GLN B 2 505 ? -33.591 -23.996 64.458 1.00 52.58 ? 1183 GLN A C 1 ATOM 9078 O O . GLN B 2 505 ? -33.243 -25.008 65.073 1.00 52.68 ? 1183 GLN A O 1 ATOM 9079 C CB . GLN B 2 505 ? -35.623 -24.694 63.185 1.00 56.58 ? 1183 GLN A CB 1 ATOM 9080 C CG . GLN B 2 505 ? -37.140 -24.674 63.049 1.00 64.86 ? 1183 GLN A CG 1 ATOM 9081 C CD . GLN B 2 505 ? -37.844 -25.066 64.333 1.00 70.47 ? 1183 GLN A CD 1 ATOM 9082 O OE1 . GLN B 2 505 ? -37.476 -26.044 64.982 1.00 75.89 ? 1183 GLN A OE1 1 ATOM 9083 N NE2 . GLN B 2 505 ? -38.853 -24.292 64.715 1.00 73.17 ? 1183 GLN A NE2 1 ATOM 9084 N N . SER B 2 506 ? -32.719 -23.113 63.983 1.00 50.57 ? 1184 SER A N 1 ATOM 9085 C CA . SER B 2 506 ? -31.288 -23.265 64.168 1.00 45.10 ? 1184 SER A CA 1 ATOM 9086 C C . SER B 2 506 ? -30.633 -21.923 63.895 1.00 47.36 ? 1184 SER A C 1 ATOM 9087 O O . SER B 2 506 ? -31.110 -21.141 63.070 1.00 52.53 ? 1184 SER A O 1 ATOM 9088 C CB . SER B 2 506 ? -30.712 -24.343 63.247 1.00 45.00 ? 1184 SER A CB 1 ATOM 9089 O OG . SER B 2 506 ? -30.833 -23.971 61.887 1.00 47.76 ? 1184 SER A OG 1 ATOM 9090 N N . THR B 2 507 ? -29.537 -21.662 64.603 1.00 44.68 ? 1185 THR A N 1 ATOM 9091 C CA . THR B 2 507 ? -28.819 -20.415 64.381 1.00 41.23 ? 1185 THR A CA 1 ATOM 9092 C C . THR B 2 507 ? -28.222 -20.362 62.983 1.00 42.66 ? 1185 THR A C 1 ATOM 9093 O O . THR B 2 507 ? -28.020 -19.271 62.438 1.00 44.48 ? 1185 THR A O 1 ATOM 9094 C CB . THR B 2 507 ? -27.727 -20.247 65.431 1.00 36.64 ? 1185 THR A CB 1 ATOM 9095 O OG1 . THR B 2 507 ? -28.261 -20.564 66.723 1.00 37.16 ? 1185 THR A OG1 1 ATOM 9096 C CG2 . THR B 2 507 ? -27.236 -18.815 65.447 1.00 39.53 ? 1185 THR A CG2 1 ATOM 9097 N N . PHE B 2 508 ? -27.947 -21.522 62.386 1.00 42.76 ? 1186 PHE A N 1 ATOM 9098 C CA . PHE B 2 508 ? -27.336 -21.565 61.062 1.00 45.97 ? 1186 PHE A CA 1 ATOM 9099 C C . PHE B 2 508 ? -28.284 -21.011 60.002 1.00 47.04 ? 1186 PHE A C 1 ATOM 9100 O O . PHE B 2 508 ? -27.941 -20.075 59.266 1.00 42.09 ? 1186 PHE A O 1 ATOM 9101 C CB . PHE B 2 508 ? -26.923 -23.004 60.746 1.00 49.73 ? 1186 PHE A CB 1 ATOM 9102 C CG . PHE B 2 508 ? -26.364 -23.193 59.368 1.00 53.15 ? 1186 PHE A CG 1 ATOM 9103 C CD1 . PHE B 2 508 ? -25.083 -22.768 59.062 1.00 53.27 ? 1186 PHE A CD1 1 ATOM 9104 C CD2 . PHE B 2 508 ? -27.114 -23.813 58.381 1.00 54.49 ? 1186 PHE A CD2 1 ATOM 9105 C CE1 . PHE B 2 508 ? -24.564 -22.945 57.794 1.00 49.78 ? 1186 PHE A CE1 1 ATOM 9106 C CE2 . PHE B 2 508 ? -26.597 -23.993 57.109 1.00 53.17 ? 1186 PHE A CE2 1 ATOM 9107 C CZ . PHE B 2 508 ? -25.322 -23.559 56.817 1.00 50.13 ? 1186 PHE A CZ 1 ATOM 9108 N N . THR B 2 509 ? -29.494 -21.575 59.918 1.00 50.58 ? 1187 THR A N 1 ATOM 9109 C CA . THR B 2 509 ? -30.468 -21.101 58.939 1.00 50.95 ? 1187 THR A CA 1 ATOM 9110 C C . THR B 2 509 ? -30.939 -19.690 59.255 1.00 51.65 ? 1187 THR A C 1 ATOM 9111 O O . THR B 2 509 ? -31.263 -18.922 58.339 1.00 52.75 ? 1187 THR A O 1 ATOM 9112 C CB . THR B 2 509 ? -31.661 -22.051 58.880 1.00 49.60 ? 1187 THR A CB 1 ATOM 9113 O OG1 . THR B 2 509 ? -32.225 -22.189 60.189 1.00 53.12 ? 1187 THR A OG1 1 ATOM 9114 C CG2 . THR B 2 509 ? -31.224 -23.412 58.387 1.00 47.28 ? 1187 THR A CG2 1 ATOM 9115 N N . LEU B 2 510 ? -30.994 -19.334 60.539 1.00 50.97 ? 1188 LEU A N 1 ATOM 9116 C CA . LEU B 2 510 ? -31.309 -17.959 60.905 1.00 47.90 ? 1188 LEU A CA 1 ATOM 9117 C C . LEU B 2 510 ? -30.260 -16.999 60.359 1.00 43.39 ? 1188 LEU A C 1 ATOM 9118 O O . LEU B 2 510 ? -30.597 -15.958 59.782 1.00 44.48 ? 1188 LEU A O 1 ATOM 9119 C CB . LEU B 2 510 ? -31.420 -17.839 62.425 1.00 42.78 ? 1188 LEU A CB 1 ATOM 9120 C CG . LEU B 2 510 ? -31.798 -16.471 62.989 1.00 41.67 ? 1188 LEU A CG 1 ATOM 9121 C CD1 . LEU B 2 510 ? -33.248 -16.143 62.674 1.00 39.88 ? 1188 LEU A CD1 1 ATOM 9122 C CD2 . LEU B 2 510 ? -31.546 -16.425 64.486 1.00 42.12 ? 1188 LEU A CD2 1 ATOM 9123 N N . ALA B 2 511 ? -28.981 -17.348 60.507 1.00 39.09 ? 1189 ALA A N 1 ATOM 9124 C CA . ALA B 2 511 ? -27.913 -16.476 60.035 1.00 38.58 ? 1189 ALA A CA 1 ATOM 9125 C C . ALA B 2 511 ? -27.921 -16.371 58.515 1.00 47.39 ? 1189 ALA A C 1 ATOM 9126 O O . ALA B 2 511 ? -27.839 -15.267 57.962 1.00 50.87 ? 1189 ALA A O 1 ATOM 9127 C CB . ALA B 2 511 ? -26.561 -16.979 60.536 1.00 35.02 ? 1189 ALA A CB 1 ATOM 9128 N N . ILE B 2 512 ? -28.020 -17.508 57.818 1.00 45.87 ? 1190 ILE A N 1 ATOM 9129 C CA . ILE B 2 512 ? -27.976 -17.440 56.359 1.00 41.95 ? 1190 ILE A CA 1 ATOM 9130 C C . ILE B 2 512 ? -29.193 -16.703 55.816 1.00 42.91 ? 1190 ILE A C 1 ATOM 9131 O O . ILE B 2 512 ? -29.090 -15.972 54.823 1.00 49.49 ? 1190 ILE A O 1 ATOM 9132 C CB . ILE B 2 512 ? -27.840 -18.841 55.737 1.00 36.32 ? 1190 ILE A CB 1 ATOM 9133 C CG1 . ILE B 2 512 ? -27.541 -18.716 54.238 1.00 36.87 ? 1190 ILE A CG1 1 ATOM 9134 C CG2 . ILE B 2 512 ? -29.090 -19.668 55.981 1.00 33.11 ? 1190 ILE A CG2 1 ATOM 9135 C CD1 . ILE B 2 512 ? -27.282 -20.029 53.543 1.00 35.92 ? 1190 ILE A CD1 1 ATOM 9136 N N . SER B 2 513 ? -30.354 -16.857 56.458 1.00 40.45 ? 1191 SER A N 1 ATOM 9137 C CA . SER B 2 513 ? -31.517 -16.082 56.047 1.00 40.35 ? 1191 SER A CA 1 ATOM 9138 C C . SER B 2 513 ? -31.299 -14.593 56.288 1.00 44.60 ? 1191 SER A C 1 ATOM 9139 O O . SER B 2 513 ? -31.669 -13.759 55.451 1.00 46.14 ? 1191 SER A O 1 ATOM 9140 C CB . SER B 2 513 ? -32.759 -16.569 56.785 1.00 44.19 ? 1191 SER A CB 1 ATOM 9141 O OG . SER B 2 513 ? -33.909 -15.868 56.343 1.00 50.56 ? 1191 SER A OG 1 ATOM 9142 N N . ALA B 2 514 ? -30.692 -14.241 57.425 1.00 46.56 ? 1192 ALA A N 1 ATOM 9143 C CA . ALA B 2 514 ? -30.426 -12.835 57.709 1.00 48.01 ? 1192 ALA A CA 1 ATOM 9144 C C . ALA B 2 514 ? -29.484 -12.232 56.675 1.00 46.20 ? 1192 ALA A C 1 ATOM 9145 O O . ALA B 2 514 ? -29.677 -11.091 56.241 1.00 46.72 ? 1192 ALA A O 1 ATOM 9146 C CB . ALA B 2 514 ? -29.849 -12.682 59.115 1.00 45.40 ? 1192 ALA A CB 1 ATOM 9147 N N . TYR B 2 515 ? -28.459 -12.983 56.266 1.00 41.67 ? 1193 TYR A N 1 ATOM 9148 C CA . TYR B 2 515 ? -27.515 -12.456 55.285 1.00 41.72 ? 1193 TYR A CA 1 ATOM 9149 C C . TYR B 2 515 ? -28.142 -12.374 53.896 1.00 45.69 ? 1193 TYR A C 1 ATOM 9150 O O . TYR B 2 515 ? -27.898 -11.414 53.153 1.00 39.93 ? 1193 TYR A O 1 ATOM 9151 C CB . TYR B 2 515 ? -26.248 -13.309 55.262 1.00 38.01 ? 1193 TYR A CB 1 ATOM 9152 C CG . TYR B 2 515 ? -25.303 -12.930 54.154 1.00 41.09 ? 1193 TYR A CG 1 ATOM 9153 C CD1 . TYR B 2 515 ? -24.806 -11.637 54.055 1.00 45.83 ? 1193 TYR A CD1 1 ATOM 9154 C CD2 . TYR B 2 515 ? -24.912 -13.858 53.200 1.00 41.41 ? 1193 TYR A CD2 1 ATOM 9155 C CE1 . TYR B 2 515 ? -23.948 -11.280 53.037 1.00 46.51 ? 1193 TYR A CE1 1 ATOM 9156 C CE2 . TYR B 2 515 ? -24.050 -13.511 52.181 1.00 42.15 ? 1193 TYR A CE2 1 ATOM 9157 C CZ . TYR B 2 515 ? -23.571 -12.221 52.104 1.00 45.26 ? 1193 TYR A CZ 1 ATOM 9158 O OH . TYR B 2 515 ? -22.713 -11.868 51.088 1.00 47.03 ? 1193 TYR A OH 1 ATOM 9159 N N . ALA B 2 516 ? -28.952 -13.370 53.528 1.00 45.03 ? 1194 ALA A N 1 ATOM 9160 C CA . ALA B 2 516 ? -29.658 -13.306 52.255 1.00 39.81 ? 1194 ALA A CA 1 ATOM 9161 C C . ALA B 2 516 ? -30.573 -12.087 52.198 1.00 44.36 ? 1194 ALA A C 1 ATOM 9162 O O . ALA B 2 516 ? -30.578 -11.353 51.202 1.00 49.06 ? 1194 ALA A O 1 ATOM 9163 C CB . ALA B 2 516 ? -30.446 -14.595 52.027 1.00 41.74 ? 1194 ALA A CB 1 ATOM 9164 N N . LEU B 2 517 ? -31.334 -11.837 53.268 1.00 44.22 ? 1195 LEU A N 1 ATOM 9165 C CA . LEU B 2 517 ? -32.195 -10.657 53.312 1.00 41.78 ? 1195 LEU A CA 1 ATOM 9166 C C . LEU B 2 517 ? -31.407 -9.354 53.417 1.00 44.55 ? 1195 LEU A C 1 ATOM 9167 O O . LEU B 2 517 ? -31.912 -8.308 52.995 1.00 47.64 ? 1195 LEU A O 1 ATOM 9168 C CB . LEU B 2 517 ? -33.182 -10.768 54.475 1.00 41.71 ? 1195 LEU A CB 1 ATOM 9169 C CG . LEU B 2 517 ? -34.214 -11.885 54.293 1.00 44.13 ? 1195 LEU A CG 1 ATOM 9170 C CD1 . LEU B 2 517 ? -34.981 -12.143 55.575 1.00 43.24 ? 1195 LEU A CD1 1 ATOM 9171 C CD2 . LEU B 2 517 ? -35.159 -11.545 53.150 1.00 45.64 ? 1195 LEU A CD2 1 ATOM 9172 N N . SER B 2 518 ? -30.191 -9.380 53.976 1.00 42.46 ? 1196 SER A N 1 ATOM 9173 C CA . SER B 2 518 ? -29.383 -8.165 54.043 1.00 42.81 ? 1196 SER A CA 1 ATOM 9174 C C . SER B 2 518 ? -28.955 -7.682 52.665 1.00 51.27 ? 1196 SER A C 1 ATOM 9175 O O . SER B 2 518 ? -28.604 -6.505 52.514 1.00 56.80 ? 1196 SER A O 1 ATOM 9176 C CB . SER B 2 518 ? -28.139 -8.381 54.906 1.00 42.54 ? 1196 SER A CB 1 ATOM 9177 O OG . SER B 2 518 ? -27.176 -9.168 54.231 1.00 47.59 ? 1196 SER A OG 1 ATOM 9178 N N . LEU B 2 519 ? -28.965 -8.560 51.666 1.00 51.58 ? 1197 LEU A N 1 ATOM 9179 C CA . LEU B 2 519 ? -28.609 -8.184 50.306 1.00 51.61 ? 1197 LEU A CA 1 ATOM 9180 C C . LEU B 2 519 ? -29.728 -7.447 49.584 1.00 55.84 ? 1197 LEU A C 1 ATOM 9181 O O . LEU B 2 519 ? -29.527 -7.011 48.446 1.00 59.80 ? 1197 LEU A O 1 ATOM 9182 C CB . LEU B 2 519 ? -28.209 -9.429 49.512 1.00 44.87 ? 1197 LEU A CB 1 ATOM 9183 C CG . LEU B 2 519 ? -27.061 -10.242 50.111 1.00 42.50 ? 1197 LEU A CG 1 ATOM 9184 C CD1 . LEU B 2 519 ? -26.876 -11.554 49.358 1.00 40.91 ? 1197 LEU A CD1 1 ATOM 9185 C CD2 . LEU B 2 519 ? -25.766 -9.432 50.135 1.00 34.57 ? 1197 LEU A CD2 1 ATOM 9186 N N . GLY B 2 520 ? -30.893 -7.297 50.209 1.00 56.55 ? 1198 GLY A N 1 ATOM 9187 C CA . GLY B 2 520 ? -31.998 -6.593 49.592 1.00 57.02 ? 1198 GLY A CA 1 ATOM 9188 C C . GLY B 2 520 ? -32.423 -5.376 50.385 1.00 57.82 ? 1198 GLY A C 1 ATOM 9189 O O . GLY B 2 520 ? -31.594 -4.519 50.710 1.00 57.48 ? 1198 GLY A O 1 ATOM 9190 N N . ASP B 2 521 ? -33.712 -5.295 50.711 1.00 58.43 ? 1199 ASP A N 1 ATOM 9191 C CA . ASP B 2 521 ? -34.254 -4.176 51.475 1.00 60.44 ? 1199 ASP A CA 1 ATOM 9192 C C . ASP B 2 521 ? -33.905 -4.352 52.948 1.00 64.55 ? 1199 ASP A C 1 ATOM 9193 O O . ASP B 2 521 ? -34.449 -5.232 53.623 1.00 66.68 ? 1199 ASP A O 1 ATOM 9194 C CB . ASP B 2 521 ? -35.763 -4.084 51.283 1.00 65.17 ? 1199 ASP A CB 1 ATOM 9195 C CG . ASP B 2 521 ? -36.395 -3.036 52.171 1.00 74.52 ? 1199 ASP A CG 1 ATOM 9196 O OD1 . ASP B 2 521 ? -35.734 -2.012 52.443 1.00 76.08 ? 1199 ASP A OD1 1 ATOM 9197 O OD2 . ASP B 2 521 ? -37.550 -3.237 52.602 1.00 80.11 ? 1199 ASP A OD2 1 ATOM 9198 N N . LYS B 2 522 ? -33.012 -3.506 53.452 1.00 64.02 ? 1200 LYS A N 1 ATOM 9199 C CA . LYS B 2 522 ? -32.570 -3.572 54.836 1.00 62.68 ? 1200 LYS A CA 1 ATOM 9200 C C . LYS B 2 522 ? -33.466 -2.777 55.776 1.00 65.03 ? 1200 LYS A C 1 ATOM 9201 O O . LYS B 2 522 ? -33.135 -2.634 56.958 1.00 66.65 ? 1200 LYS A O 1 ATOM 9202 C CB . LYS B 2 522 ? -31.128 -3.073 54.948 1.00 61.41 ? 1200 LYS A CB 1 ATOM 9203 C CG . LYS B 2 522 ? -30.202 -3.618 53.874 1.00 60.01 ? 1200 LYS A CG 1 ATOM 9204 C CD . LYS B 2 522 ? -28.867 -2.899 53.888 1.00 64.05 ? 1200 LYS A CD 1 ATOM 9205 C CE . LYS B 2 522 ? -28.036 -3.264 52.673 1.00 72.32 ? 1200 LYS A CE 1 ATOM 9206 N NZ . LYS B 2 522 ? -26.722 -2.567 52.680 1.00 77.28 ? 1200 LYS A NZ 1 ATOM 9207 N N . THR B 2 523 ? -34.586 -2.255 55.280 1.00 64.91 ? 1201 THR A N 1 ATOM 9208 C CA . THR B 2 523 ? -35.504 -1.471 56.092 1.00 70.14 ? 1201 THR A CA 1 ATOM 9209 C C . THR B 2 523 ? -36.784 -2.219 56.428 1.00 70.07 ? 1201 THR A C 1 ATOM 9210 O O . THR B 2 523 ? -37.628 -1.680 57.149 1.00 73.63 ? 1201 THR A O 1 ATOM 9211 C CB . THR B 2 523 ? -35.853 -0.152 55.388 1.00 75.87 ? 1201 THR A CB 1 ATOM 9212 O OG1 . THR B 2 523 ? -36.396 -0.422 54.089 1.00 77.27 ? 1201 THR A OG1 1 ATOM 9213 C CG2 . THR B 2 523 ? -34.616 0.730 55.254 1.00 77.05 ? 1201 THR A CG2 1 ATOM 9214 N N . HIS B 2 524 ? -36.951 -3.435 55.932 1.00 70.35 ? 1202 HIS A N 1 ATOM 9215 C CA . HIS B 2 524 ? -38.153 -4.197 56.234 1.00 68.60 ? 1202 HIS A CA 1 ATOM 9216 C C . HIS B 2 524 ? -38.182 -4.539 57.719 1.00 68.99 ? 1202 HIS A C 1 ATOM 9217 O O . HIS B 2 524 ? -37.160 -4.964 58.272 1.00 68.38 ? 1202 HIS A O 1 ATOM 9218 C CB . HIS B 2 524 ? -38.201 -5.467 55.394 1.00 65.90 ? 1202 HIS A CB 1 ATOM 9219 C CG . HIS B 2 524 ? -39.540 -6.131 55.386 1.00 69.15 ? 1202 HIS A CG 1 ATOM 9220 N ND1 . HIS B 2 524 ? -40.033 -6.826 56.469 1.00 72.77 ? 1202 HIS A ND1 1 ATOM 9221 C CD2 . HIS B 2 524 ? -40.490 -6.207 54.425 1.00 71.29 ? 1202 HIS A CD2 1 ATOM 9222 C CE1 . HIS B 2 524 ? -41.230 -7.302 56.176 1.00 74.78 ? 1202 HIS A CE1 1 ATOM 9223 N NE2 . HIS B 2 524 ? -41.531 -6.941 54.941 1.00 74.23 ? 1202 HIS A NE2 1 ATOM 9224 N N . PRO B 2 525 ? -39.320 -4.362 58.396 1.00 70.56 ? 1203 PRO A N 1 ATOM 9225 C CA . PRO B 2 525 ? -39.350 -4.613 59.849 1.00 70.12 ? 1203 PRO A CA 1 ATOM 9226 C C . PRO B 2 525 ? -39.036 -6.050 60.220 1.00 70.46 ? 1203 PRO A C 1 ATOM 9227 O O . PRO B 2 525 ? -38.330 -6.297 61.207 1.00 71.01 ? 1203 PRO A O 1 ATOM 9228 C CB . PRO B 2 525 ? -40.787 -4.231 60.236 1.00 70.66 ? 1203 PRO A CB 1 ATOM 9229 C CG . PRO B 2 525 ? -41.271 -3.352 59.128 1.00 70.95 ? 1203 PRO A CG 1 ATOM 9230 C CD . PRO B 2 525 ? -40.607 -3.860 57.890 1.00 69.86 ? 1203 PRO A CD 1 ATOM 9231 N N . GLN B 2 526 ? -39.546 -7.013 59.451 1.00 70.38 ? 1204 GLN A N 1 ATOM 9232 C CA . GLN B 2 526 ? -39.302 -8.413 59.770 1.00 68.68 ? 1204 GLN A CA 1 ATOM 9233 C C . GLN B 2 526 ? -37.827 -8.766 59.633 1.00 63.67 ? 1204 GLN A C 1 ATOM 9234 O O . GLN B 2 526 ? -37.313 -9.593 60.395 1.00 64.27 ? 1204 GLN A O 1 ATOM 9235 C CB . GLN B 2 526 ? -40.158 -9.303 58.875 1.00 73.14 ? 1204 GLN A CB 1 ATOM 9236 C CG . GLN B 2 526 ? -40.065 -10.763 59.216 1.00 81.66 ? 1204 GLN A CG 1 ATOM 9237 C CD . GLN B 2 526 ? -40.591 -11.076 60.601 1.00 89.78 ? 1204 GLN A CD 1 ATOM 9238 O OE1 . GLN B 2 526 ? -40.075 -11.958 61.288 1.00 91.69 ? 1204 GLN A OE1 1 ATOM 9239 N NE2 . GLN B 2 526 ? -41.629 -10.359 61.017 1.00 94.09 ? 1204 GLN A NE2 1 ATOM 9240 N N . PHE B 2 527 ? -37.128 -8.146 58.681 1.00 60.65 ? 1205 PHE A N 1 ATOM 9241 C CA . PHE B 2 527 ? -35.685 -8.337 58.599 1.00 57.88 ? 1205 PHE A CA 1 ATOM 9242 C C . PHE B 2 527 ? -34.995 -7.835 59.860 1.00 59.41 ? 1205 PHE A C 1 ATOM 9243 O O . PHE B 2 527 ? -34.120 -8.516 60.408 1.00 55.13 ? 1205 PHE A O 1 ATOM 9244 C CB . PHE B 2 527 ? -35.127 -7.632 57.361 1.00 53.94 ? 1205 PHE A CB 1 ATOM 9245 C CG . PHE B 2 527 ? -33.630 -7.457 57.382 1.00 51.56 ? 1205 PHE A CG 1 ATOM 9246 C CD1 . PHE B 2 527 ? -32.786 -8.522 57.110 1.00 49.12 ? 1205 PHE A CD1 1 ATOM 9247 C CD2 . PHE B 2 527 ? -33.068 -6.222 57.667 1.00 51.20 ? 1205 PHE A CD2 1 ATOM 9248 C CE1 . PHE B 2 527 ? -31.408 -8.360 57.126 1.00 48.80 ? 1205 PHE A CE1 1 ATOM 9249 C CE2 . PHE B 2 527 ? -31.692 -6.053 57.683 1.00 49.70 ? 1205 PHE A CE2 1 ATOM 9250 C CZ . PHE B 2 527 ? -30.862 -7.121 57.412 1.00 48.25 ? 1205 PHE A CZ 1 ATOM 9251 N N . ARG B 2 528 ? -35.379 -6.648 60.339 1.00 62.57 ? 1206 ARG A N 1 ATOM 9252 C CA . ARG B 2 528 ? -34.809 -6.135 61.581 1.00 67.92 ? 1206 ARG A CA 1 ATOM 9253 C C . ARG B 2 528 ? -35.095 -7.076 62.748 1.00 64.77 ? 1206 ARG A C 1 ATOM 9254 O O . ARG B 2 528 ? -34.245 -7.260 63.629 1.00 62.70 ? 1206 ARG A O 1 ATOM 9255 C CB . ARG B 2 528 ? -35.349 -4.735 61.874 1.00 79.06 ? 1206 ARG A CB 1 ATOM 9256 C CG . ARG B 2 528 ? -34.817 -3.646 60.955 1.00 92.30 ? 1206 ARG A CG 1 ATOM 9257 C CD . ARG B 2 528 ? -35.250 -2.268 61.439 1.00 107.25 ? 1206 ARG A CD 1 ATOM 9258 N NE . ARG B 2 528 ? -34.517 -1.190 60.779 1.00 119.21 ? 1206 ARG A NE 1 ATOM 9259 C CZ . ARG B 2 528 ? -35.000 -0.453 59.783 1.00 126.49 ? 1206 ARG A CZ 1 ATOM 9260 N NH1 . ARG B 2 528 ? -36.225 -0.671 59.327 1.00 129.95 ? 1206 ARG A NH1 1 ATOM 9261 N NH2 . ARG B 2 528 ? -34.257 0.506 59.245 1.00 129.03 ? 1206 ARG A NH2 1 ATOM 9262 N N . SER B 2 529 ? -36.285 -7.683 62.768 1.00 60.97 ? 1207 SER A N 1 ATOM 9263 C CA . SER B 2 529 ? -36.599 -8.668 63.798 1.00 58.06 ? 1207 SER A CA 1 ATOM 9264 C C . SER B 2 529 ? -35.679 -9.880 63.705 1.00 59.97 ? 1207 SER A C 1 ATOM 9265 O O . SER B 2 529 ? -35.222 -10.403 64.730 1.00 60.20 ? 1207 SER A O 1 ATOM 9266 C CB . SER B 2 529 ? -38.059 -9.099 63.682 1.00 57.21 ? 1207 SER A CB 1 ATOM 9267 O OG . SER B 2 529 ? -38.926 -7.982 63.736 1.00 63.88 ? 1207 SER A OG 1 ATOM 9268 N N . ILE B 2 530 ? -35.402 -10.342 62.481 1.00 56.97 ? 1208 ILE A N 1 ATOM 9269 C CA . ILE B 2 530 ? -34.501 -11.476 62.285 1.00 50.46 ? 1208 ILE A CA 1 ATOM 9270 C C . ILE B 2 530 ? -33.088 -11.128 62.743 1.00 50.07 ? 1208 ILE A C 1 ATOM 9271 O O . ILE B 2 530 ? -32.403 -11.951 63.361 1.00 52.38 ? 1208 ILE A O 1 ATOM 9272 C CB . ILE B 2 530 ? -34.533 -11.922 60.811 1.00 48.62 ? 1208 ILE A CB 1 ATOM 9273 C CG1 . ILE B 2 530 ? -35.923 -12.436 60.445 1.00 50.43 ? 1208 ILE A CG1 1 ATOM 9274 C CG2 . ILE B 2 530 ? -33.505 -13.007 60.542 1.00 47.77 ? 1208 ILE A CG2 1 ATOM 9275 C CD1 . ILE B 2 530 ? -36.061 -12.812 58.997 1.00 47.71 ? 1208 ILE A CD1 1 ATOM 9276 N N . VAL B 2 531 ? -32.631 -9.906 62.456 1.00 48.20 ? 1209 VAL A N 1 ATOM 9277 C CA . VAL B 2 531 ? -31.311 -9.476 62.913 1.00 46.21 ? 1209 VAL A CA 1 ATOM 9278 C C . VAL B 2 531 ? -31.263 -9.419 64.434 1.00 52.36 ? 1209 VAL A C 1 ATOM 9279 O O . VAL B 2 531 ? -30.253 -9.779 65.051 1.00 54.99 ? 1209 VAL A O 1 ATOM 9280 C CB . VAL B 2 531 ? -30.945 -8.118 62.291 1.00 47.59 ? 1209 VAL A CB 1 ATOM 9281 C CG1 . VAL B 2 531 ? -29.648 -7.585 62.902 1.00 43.83 ? 1209 VAL A CG1 1 ATOM 9282 C CG2 . VAL B 2 531 ? -30.830 -8.236 60.773 1.00 45.80 ? 1209 VAL A CG2 1 ATOM 9283 N N . SER B 2 532 ? -32.346 -8.952 65.063 1.00 54.30 ? 1210 SER A N 1 ATOM 9284 C CA . SER B 2 532 ? -32.396 -8.931 66.522 1.00 53.94 ? 1210 SER A CA 1 ATOM 9285 C C . SER B 2 532 ? -32.311 -10.343 67.085 1.00 51.53 ? 1210 SER A C 1 ATOM 9286 O O . SER B 2 532 ? -31.542 -10.610 68.017 1.00 50.53 ? 1210 SER A O 1 ATOM 9287 C CB . SER B 2 532 ? -33.671 -8.239 67.001 1.00 59.74 ? 1210 SER A CB 1 ATOM 9288 O OG . SER B 2 532 ? -33.658 -6.861 66.674 1.00 69.51 ? 1210 SER A OG 1 ATOM 9289 N N . ALA B 2 533 ? -33.090 -11.266 66.516 1.00 49.97 ? 1211 ALA A N 1 ATOM 9290 C CA . ALA B 2 533 ? -33.062 -12.649 66.980 1.00 50.18 ? 1211 ALA A CA 1 ATOM 9291 C C . ALA B 2 533 ? -31.683 -13.274 66.790 1.00 55.67 ? 1211 ALA A C 1 ATOM 9292 O O . ALA B 2 533 ? -31.243 -14.085 67.614 1.00 57.77 ? 1211 ALA A O 1 ATOM 9293 C CB . ALA B 2 533 ? -34.132 -13.463 66.253 1.00 40.37 ? 1211 ALA A CB 1 ATOM 9294 N N . LEU B 2 534 ? -30.982 -12.904 65.712 1.00 52.52 ? 1212 LEU A N 1 ATOM 9295 C CA . LEU B 2 534 ? -29.628 -13.411 65.503 1.00 47.58 ? 1212 LEU A CA 1 ATOM 9296 C C . LEU B 2 534 ? -28.658 -12.836 66.527 1.00 47.11 ? 1212 LEU A C 1 ATOM 9297 O O . LEU B 2 534 ? -27.799 -13.556 67.052 1.00 41.44 ? 1212 LEU A O 1 ATOM 9298 C CB . LEU B 2 534 ? -29.157 -13.096 64.084 1.00 40.71 ? 1212 LEU A CB 1 ATOM 9299 C CG . LEU B 2 534 ? -27.724 -13.510 63.747 1.00 35.92 ? 1212 LEU A CG 1 ATOM 9300 C CD1 . LEU B 2 534 ? -27.531 -15.007 63.945 1.00 35.39 ? 1212 LEU A CD1 1 ATOM 9301 C CD2 . LEU B 2 534 ? -27.380 -13.104 62.327 1.00 35.48 ? 1212 LEU A CD2 1 ATOM 9302 N N . LYS B 2 535 ? -28.771 -11.538 66.816 1.00 51.59 ? 1213 LYS A N 1 ATOM 9303 C CA . LYS B 2 535 ? -27.938 -10.943 67.853 1.00 51.93 ? 1213 LYS A CA 1 ATOM 9304 C C . LYS B 2 535 ? -28.199 -11.579 69.212 1.00 52.03 ? 1213 LYS A C 1 ATOM 9305 O O . LYS B 2 535 ? -27.284 -11.674 70.037 1.00 51.93 ? 1213 LYS A O 1 ATOM 9306 C CB . LYS B 2 535 ? -28.175 -9.434 67.918 1.00 48.22 ? 1213 LYS A CB 1 ATOM 9307 C CG . LYS B 2 535 ? -27.484 -8.638 66.827 1.00 48.88 ? 1213 LYS A CG 1 ATOM 9308 C CD . LYS B 2 535 ? -27.644 -7.148 67.077 1.00 55.50 ? 1213 LYS A CD 1 ATOM 9309 C CE . LYS B 2 535 ? -26.949 -6.319 66.015 1.00 60.53 ? 1213 LYS A CE 1 ATOM 9310 N NZ . LYS B 2 535 ? -27.251 -4.870 66.183 1.00 67.87 ? 1213 LYS A NZ 1 ATOM 9311 N N . ARG B 2 536 ? -29.434 -12.027 69.460 1.00 51.31 ? 1214 ARG A N 1 ATOM 9312 C CA . ARG B 2 536 ? -29.769 -12.603 70.759 1.00 52.78 ? 1214 ARG A CA 1 ATOM 9313 C C . ARG B 2 536 ? -29.000 -13.888 71.021 1.00 51.33 ? 1214 ARG A C 1 ATOM 9314 O O . ARG B 2 536 ? -28.761 -14.243 72.180 1.00 49.46 ? 1214 ARG A O 1 ATOM 9315 C CB . ARG B 2 536 ? -31.271 -12.869 70.838 1.00 56.70 ? 1214 ARG A CB 1 ATOM 9316 C CG . ARG B 2 536 ? -31.996 -12.118 71.940 1.00 66.01 ? 1214 ARG A CG 1 ATOM 9317 C CD . ARG B 2 536 ? -33.504 -12.215 71.739 1.00 75.80 ? 1214 ARG A CD 1 ATOM 9318 N NE . ARG B 2 536 ? -33.941 -11.499 70.540 1.00 83.14 ? 1214 ARG A NE 1 ATOM 9319 C CZ . ARG B 2 536 ? -35.063 -11.758 69.870 1.00 83.72 ? 1214 ARG A CZ 1 ATOM 9320 N NH1 . ARG B 2 536 ? -35.871 -12.732 70.269 1.00 84.12 ? 1214 ARG A NH1 1 ATOM 9321 N NH2 . ARG B 2 536 ? -35.373 -11.048 68.793 1.00 81.50 ? 1214 ARG A NH2 1 ATOM 9322 N N . GLU B 2 537 ? -28.608 -14.594 69.965 1.00 51.28 ? 1215 GLU A N 1 ATOM 9323 C CA . GLU B 2 537 ? -27.888 -15.855 70.068 1.00 44.79 ? 1215 GLU A CA 1 ATOM 9324 C C . GLU B 2 537 ? -26.381 -15.675 70.172 1.00 41.14 ? 1215 GLU A C 1 ATOM 9325 O O . GLU B 2 537 ? -25.657 -16.672 70.213 1.00 43.78 ? 1215 GLU A O 1 ATOM 9326 C CB . GLU B 2 537 ? -28.213 -16.739 68.860 1.00 46.42 ? 1215 GLU A CB 1 ATOM 9327 C CG . GLU B 2 537 ? -29.659 -17.187 68.793 1.00 50.92 ? 1215 GLU A CG 1 ATOM 9328 C CD . GLU B 2 537 ? -29.991 -18.240 69.828 1.00 53.61 ? 1215 GLU A CD 1 ATOM 9329 O OE1 . GLU B 2 537 ? -29.124 -19.099 70.110 1.00 55.61 ? 1215 GLU A OE1 1 ATOM 9330 O OE2 . GLU B 2 537 ? -31.121 -18.208 70.356 1.00 53.59 ? 1215 GLU A OE2 1 ATOM 9331 N N . ALA B 2 538 ? -25.893 -14.440 70.225 1.00 43.21 ? 1216 ALA A N 1 ATOM 9332 C CA . ALA B 2 538 ? -24.457 -14.204 70.199 1.00 43.22 ? 1216 ALA A CA 1 ATOM 9333 C C . ALA B 2 538 ? -23.780 -14.734 71.458 1.00 44.32 ? 1216 ALA A C 1 ATOM 9334 O O . ALA B 2 538 ? -24.280 -14.571 72.574 1.00 47.13 ? 1216 ALA A O 1 ATOM 9335 C CB . ALA B 2 538 ? -24.165 -12.711 70.046 1.00 40.96 ? 1216 ALA A CB 1 ATOM 9336 N N . LEU B 2 539 ? -22.635 -15.373 71.266 1.00 42.37 ? 1217 LEU A N 1 ATOM 9337 C CA . LEU B 2 539 ? -21.740 -15.755 72.345 1.00 41.82 ? 1217 LEU A CA 1 ATOM 9338 C C . LEU B 2 539 ? -20.579 -14.770 72.413 1.00 44.04 ? 1217 LEU A C 1 ATOM 9339 O O . LEU B 2 539 ? -20.137 -14.234 71.394 1.00 45.15 ? 1217 LEU A O 1 ATOM 9340 C CB . LEU B 2 539 ? -21.215 -17.179 72.139 1.00 37.59 ? 1217 LEU A CB 1 ATOM 9341 C CG . LEU B 2 539 ? -22.274 -18.270 71.948 1.00 38.41 ? 1217 LEU A CG 1 ATOM 9342 C CD1 . LEU B 2 539 ? -21.637 -19.571 71.507 1.00 38.44 ? 1217 LEU A CD1 1 ATOM 9343 C CD2 . LEU B 2 539 ? -23.054 -18.491 73.223 1.00 36.56 ? 1217 LEU A CD2 1 ATOM 9344 N N . VAL B 2 540 ? -20.090 -14.524 73.627 1.00 45.52 ? 1218 VAL A N 1 ATOM 9345 C CA . VAL B 2 540 ? -18.970 -13.615 73.845 1.00 46.27 ? 1218 VAL A CA 1 ATOM 9346 C C . VAL B 2 540 ? -17.949 -14.274 74.759 1.00 47.54 ? 1218 VAL A C 1 ATOM 9347 O O . VAL B 2 540 ? -18.308 -15.001 75.692 1.00 52.32 ? 1218 VAL A O 1 ATOM 9348 C CB . VAL B 2 540 ? -19.427 -12.265 74.436 1.00 44.72 ? 1218 VAL A CB 1 ATOM 9349 C CG1 . VAL B 2 540 ? -20.156 -11.461 73.388 1.00 42.84 ? 1218 VAL A CG1 1 ATOM 9350 C CG2 . VAL B 2 540 ? -20.309 -12.477 75.663 1.00 49.25 ? 1218 VAL A CG2 1 ATOM 9351 N N . LYS B 2 541 ? -16.673 -14.025 74.480 1.00 46.14 ? 1219 LYS A N 1 ATOM 9352 C CA . LYS B 2 541 ? -15.585 -14.351 75.392 1.00 46.81 ? 1219 LYS A CA 1 ATOM 9353 C C . LYS B 2 541 ? -15.077 -13.042 75.978 1.00 52.28 ? 1219 LYS A C 1 ATOM 9354 O O . LYS B 2 541 ? -14.591 -12.173 75.237 1.00 50.52 ? 1219 LYS A O 1 ATOM 9355 C CB . LYS B 2 541 ? -14.461 -15.111 74.683 1.00 45.37 ? 1219 LYS A CB 1 ATOM 9356 C CG . LYS B 2 541 ? -14.776 -16.579 74.407 1.00 46.38 ? 1219 LYS A CG 1 ATOM 9357 C CD . LYS B 2 541 ? -13.884 -17.171 73.316 1.00 43.30 ? 1219 LYS A CD 1 ATOM 9358 C CE . LYS B 2 541 ? -12.411 -17.174 73.706 1.00 47.93 ? 1219 LYS A CE 1 ATOM 9359 N NZ . LYS B 2 541 ? -12.106 -18.104 74.827 1.00 54.46 ? 1219 LYS A NZ 1 ATOM 9360 N N . GLY B 2 542 ? -15.220 -12.897 77.294 1.00 53.27 ? 1220 GLY A N 1 ATOM 9361 C CA . GLY B 2 542 ? -14.821 -11.712 78.020 1.00 53.77 ? 1220 GLY A CA 1 ATOM 9362 C C . GLY B 2 542 ? -15.992 -10.780 78.291 1.00 56.26 ? 1220 GLY A C 1 ATOM 9363 O O . GLY B 2 542 ? -17.040 -10.837 77.642 1.00 57.82 ? 1220 GLY A O 1 ATOM 9364 N N . ASN B 2 543 ? -15.805 -9.911 79.283 1.00 57.25 ? 1221 ASN A N 1 ATOM 9365 C CA . ASN B 2 543 ? -16.752 -8.833 79.562 1.00 57.04 ? 1221 ASN A CA 1 ATOM 9366 C C . ASN B 2 543 ? -16.022 -7.641 80.174 1.00 60.42 ? 1221 ASN A C 1 ATOM 9367 O O . ASN B 2 543 ? -15.652 -7.680 81.346 1.00 67.61 ? 1221 ASN A O 1 ATOM 9368 C CB . ASN B 2 543 ? -17.870 -9.299 80.488 1.00 60.24 ? 1221 ASN A CB 1 ATOM 9369 C CG . ASN B 2 543 ? -18.937 -8.239 80.685 1.00 64.17 ? 1221 ASN A CG 1 ATOM 9370 O OD1 . ASN B 2 543 ? -18.830 -7.388 81.567 1.00 69.88 ? 1221 ASN A OD1 1 ATOM 9371 N ND2 . ASN B 2 543 ? -19.972 -8.282 79.856 1.00 64.57 ? 1221 ASN A ND2 1 ATOM 9372 N N . PRO B 2 544 ? -15.809 -6.570 79.387 1.00 59.07 ? 1222 PRO A N 1 ATOM 9373 C CA . PRO B 2 544 ? -16.208 -6.344 77.988 1.00 56.82 ? 1222 PRO A CA 1 ATOM 9374 C C . PRO B 2 544 ? -15.649 -7.382 77.012 1.00 53.33 ? 1222 PRO A C 1 ATOM 9375 O O . PRO B 2 544 ? -14.513 -7.833 77.177 1.00 50.92 ? 1222 PRO A O 1 ATOM 9376 C CB . PRO B 2 544 ? -15.639 -4.954 77.684 1.00 56.49 ? 1222 PRO A CB 1 ATOM 9377 C CG . PRO B 2 544 ? -14.559 -4.754 78.689 1.00 57.64 ? 1222 PRO A CG 1 ATOM 9378 C CD . PRO B 2 544 ? -15.049 -5.430 79.923 1.00 57.40 ? 1222 PRO A CD 1 ATOM 9379 N N . PRO B 2 545 ? -16.453 -7.764 76.020 1.00 50.49 ? 1223 PRO A N 1 ATOM 9380 C CA . PRO B 2 545 ? -16.122 -8.949 75.217 1.00 45.04 ? 1223 PRO A CA 1 ATOM 9381 C C . PRO B 2 545 ? -14.861 -8.733 74.395 1.00 43.11 ? 1223 PRO A C 1 ATOM 9382 O O . PRO B 2 545 ? -14.716 -7.724 73.704 1.00 39.29 ? 1223 PRO A O 1 ATOM 9383 C CB . PRO B 2 545 ? -17.355 -9.128 74.322 1.00 43.79 ? 1223 PRO A CB 1 ATOM 9384 C CG . PRO B 2 545 ? -17.938 -7.766 74.218 1.00 47.90 ? 1223 PRO A CG 1 ATOM 9385 C CD . PRO B 2 545 ? -17.676 -7.097 75.542 1.00 51.30 ? 1223 PRO A CD 1 ATOM 9386 N N . ILE B 2 546 ? -13.938 -9.688 74.493 1.00 42.18 ? 1224 ILE A N 1 ATOM 9387 C CA . ILE B 2 546 ? -12.822 -9.722 73.562 1.00 43.68 ? 1224 ILE A CA 1 ATOM 9388 C C . ILE B 2 546 ? -13.219 -10.454 72.288 1.00 45.63 ? 1224 ILE A C 1 ATOM 9389 O O . ILE B 2 546 ? -12.766 -10.099 71.195 1.00 49.39 ? 1224 ILE A O 1 ATOM 9390 C CB . ILE B 2 546 ? -11.587 -10.365 74.212 1.00 43.98 ? 1224 ILE A CB 1 ATOM 9391 C CG1 . ILE B 2 546 ? -11.125 -9.543 75.412 1.00 47.03 ? 1224 ILE A CG1 1 ATOM 9392 C CG2 . ILE B 2 546 ? -10.454 -10.513 73.193 1.00 38.20 ? 1224 ILE A CG2 1 ATOM 9393 C CD1 . ILE B 2 546 ? -9.906 -10.114 76.089 1.00 50.11 ? 1224 ILE A CD1 1 ATOM 9394 N N . TYR B 2 547 ? -14.068 -11.476 72.397 1.00 46.06 ? 1225 TYR A N 1 ATOM 9395 C CA . TYR B 2 547 ? -14.513 -12.224 71.231 1.00 45.73 ? 1225 TYR A CA 1 ATOM 9396 C C . TYR B 2 547 ? -16.033 -12.253 71.165 1.00 46.34 ? 1225 TYR A C 1 ATOM 9397 O O . TYR B 2 547 ? -16.719 -12.200 72.191 1.00 48.84 ? 1225 TYR A O 1 ATOM 9398 C CB . TYR B 2 547 ? -13.996 -13.666 71.237 1.00 44.71 ? 1225 TYR A CB 1 ATOM 9399 C CG . TYR B 2 547 ? -12.495 -13.805 71.225 1.00 46.37 ? 1225 TYR A CG 1 ATOM 9400 C CD1 . TYR B 2 547 ? -11.797 -13.896 70.028 1.00 46.03 ? 1225 TYR A CD1 1 ATOM 9401 C CD2 . TYR B 2 547 ? -11.778 -13.863 72.410 1.00 46.07 ? 1225 TYR A CD2 1 ATOM 9402 C CE1 . TYR B 2 547 ? -10.422 -14.032 70.015 1.00 46.52 ? 1225 TYR A CE1 1 ATOM 9403 C CE2 . TYR B 2 547 ? -10.406 -14.000 72.408 1.00 45.30 ? 1225 TYR A CE2 1 ATOM 9404 C CZ . TYR B 2 547 ? -9.732 -14.083 71.212 1.00 44.13 ? 1225 TYR A CZ 1 ATOM 9405 O OH . TYR B 2 547 ? -8.365 -14.219 71.211 1.00 42.36 ? 1225 TYR A OH 1 ATOM 9406 N N . ARG B 2 548 ? -16.552 -12.355 69.943 1.00 42.95 ? 1226 ARG A N 1 ATOM 9407 C CA . ARG B 2 548 ? -17.974 -12.571 69.719 1.00 42.78 ? 1226 ARG A CA 1 ATOM 9408 C C . ARG B 2 548 ? -18.133 -13.539 68.557 1.00 43.10 ? 1226 ARG A C 1 ATOM 9409 O O . ARG B 2 548 ? -17.561 -13.324 67.483 1.00 47.16 ? 1226 ARG A O 1 ATOM 9410 C CB . ARG B 2 548 ? -18.717 -11.258 69.431 1.00 41.59 ? 1226 ARG A CB 1 ATOM 9411 C CG . ARG B 2 548 ? -20.209 -11.325 69.763 1.00 45.33 ? 1226 ARG A CG 1 ATOM 9412 C CD . ARG B 2 548 ? -21.001 -10.146 69.211 1.00 46.32 ? 1226 ARG A CD 1 ATOM 9413 N NE . ARG B 2 548 ? -20.274 -8.888 69.331 1.00 51.56 ? 1226 ARG A NE 1 ATOM 9414 C CZ . ARG B 2 548 ? -20.249 -8.143 70.428 1.00 50.94 ? 1226 ARG A CZ 1 ATOM 9415 N NH1 . ARG B 2 548 ? -20.912 -8.534 71.502 1.00 46.44 ? 1226 ARG A NH1 1 ATOM 9416 N NH2 . ARG B 2 548 ? -19.560 -7.011 70.451 1.00 56.70 ? 1226 ARG A NH2 1 ATOM 9417 N N . PHE B 2 549 ? -18.894 -14.607 68.775 1.00 38.95 ? 1227 PHE A N 1 ATOM 9418 C CA . PHE B 2 549 ? -19.063 -15.639 67.762 1.00 43.22 ? 1227 PHE A CA 1 ATOM 9419 C C . PHE B 2 549 ? -20.441 -16.260 67.930 1.00 46.55 ? 1227 PHE A C 1 ATOM 9420 O O . PHE B 2 549 ? -21.209 -15.883 68.819 1.00 44.98 ? 1227 PHE A O 1 ATOM 9421 C CB . PHE B 2 549 ? -17.946 -16.688 67.848 1.00 41.87 ? 1227 PHE A CB 1 ATOM 9422 C CG . PHE B 2 549 ? -17.857 -17.387 69.182 1.00 46.20 ? 1227 PHE A CG 1 ATOM 9423 C CD1 . PHE B 2 549 ? -17.272 -16.761 70.277 1.00 50.90 ? 1227 PHE A CD1 1 ATOM 9424 C CD2 . PHE B 2 549 ? -18.339 -18.677 69.338 1.00 45.69 ? 1227 PHE A CD2 1 ATOM 9425 C CE1 . PHE B 2 549 ? -17.184 -17.404 71.505 1.00 47.94 ? 1227 PHE A CE1 1 ATOM 9426 C CE2 . PHE B 2 549 ? -18.250 -19.324 70.566 1.00 48.19 ? 1227 PHE A CE2 1 ATOM 9427 C CZ . PHE B 2 549 ? -17.672 -18.687 71.647 1.00 45.82 ? 1227 PHE A CZ 1 ATOM 9428 N N . TRP B 2 550 ? -20.757 -17.221 67.063 1.00 46.37 ? 1228 TRP A N 1 ATOM 9429 C CA . TRP B 2 550 ? -22.062 -17.861 67.076 1.00 44.31 ? 1228 TRP A CA 1 ATOM 9430 C C . TRP B 2 550 ? -21.916 -19.373 67.036 1.00 47.14 ? 1228 TRP A C 1 ATOM 9431 O O . TRP B 2 550 ? -21.033 -19.911 66.363 1.00 44.40 ? 1228 TRP A O 1 ATOM 9432 C CB . TRP B 2 550 ? -22.931 -17.383 65.907 1.00 39.89 ? 1228 TRP A CB 1 ATOM 9433 C CG . TRP B 2 550 ? -23.574 -16.050 66.166 1.00 41.51 ? 1228 TRP A CG 1 ATOM 9434 C CD1 . TRP B 2 550 ? -24.824 -15.827 66.663 1.00 34.93 ? 1228 TRP A CD1 1 ATOM 9435 C CD2 . TRP B 2 550 ? -22.989 -14.759 65.954 1.00 36.87 ? 1228 TRP A CD2 1 ATOM 9436 N NE1 . TRP B 2 550 ? -25.056 -14.479 66.770 1.00 37.75 ? 1228 TRP A NE1 1 ATOM 9437 C CE2 . TRP B 2 550 ? -23.946 -13.800 66.341 1.00 37.09 ? 1228 TRP A CE2 1 ATOM 9438 C CE3 . TRP B 2 550 ? -21.751 -14.321 65.473 1.00 33.91 ? 1228 TRP A CE3 1 ATOM 9439 C CZ2 . TRP B 2 550 ? -23.704 -12.431 66.264 1.00 36.37 ? 1228 TRP A CZ2 1 ATOM 9440 C CZ3 . TRP B 2 550 ? -21.514 -12.961 65.396 1.00 35.86 ? 1228 TRP A CZ3 1 ATOM 9441 C CH2 . TRP B 2 550 ? -22.485 -12.032 65.789 1.00 37.29 ? 1228 TRP A CH2 1 ATOM 9442 N N . LYS B 2 551 ? -22.783 -20.041 67.783 1.00 53.52 ? 1229 LYS A N 1 ATOM 9443 C CA . LYS B 2 551 ? -22.938 -21.485 67.772 1.00 53.14 ? 1229 LYS A CA 1 ATOM 9444 C C . LYS B 2 551 ? -24.109 -21.826 66.861 1.00 56.06 ? 1229 LYS A C 1 ATOM 9445 O O . LYS B 2 551 ? -25.113 -21.111 66.844 1.00 63.73 ? 1229 LYS A O 1 ATOM 9446 C CB . LYS B 2 551 ? -23.185 -21.986 69.197 1.00 57.59 ? 1229 LYS A CB 1 ATOM 9447 C CG . LYS B 2 551 ? -23.791 -23.361 69.317 1.00 62.92 ? 1229 LYS A CG 1 ATOM 9448 C CD . LYS B 2 551 ? -24.825 -23.396 70.438 1.00 63.48 ? 1229 LYS A CD 1 ATOM 9449 C CE . LYS B 2 551 ? -24.348 -22.661 71.681 1.00 61.75 ? 1229 LYS A CE 1 ATOM 9450 N NZ . LYS B 2 551 ? -25.376 -22.679 72.762 1.00 59.85 ? 1229 LYS A NZ 1 ATOM 9451 N N . ASP B 2 552 ? -23.979 -22.907 66.087 1.00 55.00 ? 1230 ASP A N 1 ATOM 9452 C CA . ASP B 2 552 ? -24.994 -23.180 65.073 1.00 54.33 ? 1230 ASP A CA 1 ATOM 9453 C C . ASP B 2 552 ? -26.300 -23.711 65.662 1.00 54.58 ? 1230 ASP A C 1 ATOM 9454 O O . ASP B 2 552 ? -27.338 -23.638 64.996 1.00 53.38 ? 1230 ASP A O 1 ATOM 9455 C CB . ASP B 2 552 ? -24.448 -24.144 64.017 1.00 53.57 ? 1230 ASP A CB 1 ATOM 9456 C CG . ASP B 2 552 ? -23.964 -25.449 64.603 1.00 53.57 ? 1230 ASP A CG 1 ATOM 9457 O OD1 . ASP B 2 552 ? -22.981 -25.435 65.375 1.00 59.78 ? 1230 ASP A OD1 1 ATOM 9458 O OD2 . ASP B 2 552 ? -24.556 -26.494 64.268 1.00 48.65 ? 1230 ASP A OD2 1 ATOM 9459 N N . ASN B 2 553 ? -26.287 -24.219 66.890 1.00 56.09 ? 1231 ASN A N 1 ATOM 9460 C CA . ASN B 2 553 ? -27.521 -24.624 67.550 1.00 58.01 ? 1231 ASN A CA 1 ATOM 9461 C C . ASN B 2 553 ? -28.135 -23.467 68.326 1.00 51.78 ? 1231 ASN A C 1 ATOM 9462 O O . ASN B 2 553 ? -27.430 -22.622 68.883 1.00 54.82 ? 1231 ASN A O 1 ATOM 9463 C CB . ASN B 2 553 ? -27.274 -25.794 68.498 1.00 66.62 ? 1231 ASN A CB 1 ATOM 9464 C CG . ASN B 2 553 ? -27.770 -27.095 67.937 1.00 76.56 ? 1231 ASN A CG 1 ATOM 9465 O OD1 . ASN B 2 553 ? -28.651 -27.113 67.079 1.00 80.52 ? 1231 ASN A OD1 1 ATOM 9466 N ND2 . ASN B 2 553 ? -27.210 -28.197 68.414 1.00 84.55 ? 1231 ASN A ND2 1 ATOM 9467 N N . LEU B 2 554 ? -29.465 -23.439 68.366 1.00 47.76 ? 1232 LEU A N 1 ATOM 9468 C CA . LEU B 2 554 ? -30.158 -22.408 69.125 1.00 49.86 ? 1232 LEU A CA 1 ATOM 9469 C C . LEU B 2 554 ? -29.970 -22.619 70.625 1.00 51.07 ? 1232 LEU A C 1 ATOM 9470 O O . LEU B 2 554 ? -29.826 -23.747 71.105 1.00 48.69 ? 1232 LEU A O 1 ATOM 9471 C CB . LEU B 2 554 ? -31.646 -22.397 68.781 1.00 50.15 ? 1232 LEU A CB 1 ATOM 9472 C CG . LEU B 2 554 ? -32.017 -21.717 67.465 1.00 52.34 ? 1232 LEU A CG 1 ATOM 9473 C CD1 . LEU B 2 554 ? -33.519 -21.736 67.246 1.00 55.99 ? 1232 LEU A CD1 1 ATOM 9474 C CD2 . LEU B 2 554 ? -31.502 -20.294 67.467 1.00 52.10 ? 1232 LEU A CD2 1 ATOM 9475 N N . GLN B 2 555 ? -29.981 -21.510 71.368 1.00 54.01 ? 1233 GLN A N 1 ATOM 9476 C CA . GLN B 2 555 ? -29.733 -21.578 72.805 1.00 55.69 ? 1233 GLN A CA 1 ATOM 9477 C C . GLN B 2 555 ? -30.802 -22.392 73.527 1.00 58.94 ? 1233 GLN A C 1 ATOM 9478 O O . GLN B 2 555 ? -30.482 -23.217 74.391 1.00 61.62 ? 1233 GLN A O 1 ATOM 9479 C CB . GLN B 2 555 ? -29.653 -20.171 73.391 1.00 60.43 ? 1233 GLN A CB 1 ATOM 9480 C CG . GLN B 2 555 ? -29.562 -20.141 74.907 1.00 67.14 ? 1233 GLN A CG 1 ATOM 9481 C CD . GLN B 2 555 ? -28.219 -20.613 75.434 1.00 70.64 ? 1233 GLN A CD 1 ATOM 9482 O OE1 . GLN B 2 555 ? -27.244 -20.735 74.687 1.00 72.03 ? 1233 GLN A OE1 1 ATOM 9483 N NE2 . GLN B 2 555 ? -28.161 -20.875 76.732 1.00 71.60 ? 1233 GLN A NE2 1 ATOM 9484 N N . HIS B 2 556 ? -32.076 -22.181 73.189 1.00 63.41 ? 1234 HIS A N 1 ATOM 9485 C CA . HIS B 2 556 ? -33.154 -22.882 73.877 1.00 67.76 ? 1234 HIS A CA 1 ATOM 9486 C C . HIS B 2 556 ? -33.150 -24.380 73.606 1.00 63.71 ? 1234 HIS A C 1 ATOM 9487 O O . HIS B 2 556 ? -33.864 -25.118 74.291 1.00 63.44 ? 1234 HIS A O 1 ATOM 9488 C CB . HIS B 2 556 ? -34.510 -22.285 73.487 1.00 77.62 ? 1234 HIS A CB 1 ATOM 9489 C CG . HIS B 2 556 ? -35.081 -22.840 72.219 1.00 86.67 ? 1234 HIS A CG 1 ATOM 9490 N ND1 . HIS B 2 556 ? -35.866 -23.974 72.190 1.00 92.10 ? 1234 HIS A ND1 1 ATOM 9491 C CD2 . HIS B 2 556 ? -34.993 -22.412 70.937 1.00 89.55 ? 1234 HIS A CD2 1 ATOM 9492 C CE1 . HIS B 2 556 ? -36.232 -24.222 70.946 1.00 92.98 ? 1234 HIS A CE1 1 ATOM 9493 N NE2 . HIS B 2 556 ? -35.715 -23.290 70.165 1.00 91.68 ? 1234 HIS A NE2 1 ATOM 9494 N N . LYS B 2 557 ? -32.375 -24.841 72.629 1.00 65.09 ? 1235 LYS A N 1 ATOM 9495 C CA . LYS B 2 557 ? -32.225 -26.262 72.357 1.00 67.04 ? 1235 LYS A CA 1 ATOM 9496 C C . LYS B 2 557 ? -30.961 -26.849 72.964 1.00 64.54 ? 1235 LYS A C 1 ATOM 9497 O O . LYS B 2 557 ? -30.935 -28.042 73.281 1.00 65.25 ? 1235 LYS A O 1 ATOM 9498 C CB . LYS B 2 557 ? -32.220 -26.511 70.843 1.00 74.57 ? 1235 LYS A CB 1 ATOM 9499 C CG . LYS B 2 557 ? -33.421 -25.929 70.107 1.00 81.16 ? 1235 LYS A CG 1 ATOM 9500 C CD . LYS B 2 557 ? -33.171 -25.830 68.607 1.00 87.15 ? 1235 LYS A CD 1 ATOM 9501 C CE . LYS B 2 557 ? -32.925 -27.194 67.985 1.00 92.08 ? 1235 LYS A CE 1 ATOM 9502 N NZ . LYS B 2 557 ? -34.130 -28.058 68.081 1.00 98.18 ? 1235 LYS A NZ 1 ATOM 9503 N N . ASP B 2 558 ? -29.921 -26.034 73.146 1.00 65.02 ? 1236 ASP A N 1 ATOM 9504 C CA . ASP B 2 558 ? -28.637 -26.517 73.653 1.00 66.54 ? 1236 ASP A CA 1 ATOM 9505 C C . ASP B 2 558 ? -27.913 -25.338 74.293 1.00 64.60 ? 1236 ASP A C 1 ATOM 9506 O O . ASP B 2 558 ? -27.529 -24.397 73.592 1.00 67.61 ? 1236 ASP A O 1 ATOM 9507 C CB . ASP B 2 558 ? -27.814 -27.130 72.524 1.00 70.19 ? 1236 ASP A CB 1 ATOM 9508 C CG . ASP B 2 558 ? -26.465 -27.643 72.990 1.00 75.20 ? 1236 ASP A CG 1 ATOM 9509 O OD1 . ASP B 2 558 ? -26.366 -28.126 74.138 1.00 73.12 ? 1236 ASP A OD1 1 ATOM 9510 O OD2 . ASP B 2 558 ? -25.502 -27.565 72.196 1.00 78.50 ? 1236 ASP A OD2 1 ATOM 9511 N N . SER B 2 559 ? -27.725 -25.387 75.608 1.00 61.94 ? 1237 SER A N 1 ATOM 9512 C CA . SER B 2 559 ? -27.119 -24.280 76.337 1.00 62.22 ? 1237 SER A CA 1 ATOM 9513 C C . SER B 2 559 ? -25.616 -24.434 76.530 1.00 61.75 ? 1237 SER A C 1 ATOM 9514 O O . SER B 2 559 ? -24.988 -23.534 77.097 1.00 61.47 ? 1237 SER A O 1 ATOM 9515 C CB . SER B 2 559 ? -27.788 -24.121 77.703 1.00 63.83 ? 1237 SER A CB 1 ATOM 9516 O OG . SER B 2 559 ? -27.551 -25.263 78.503 1.00 68.03 ? 1237 SER A OG 1 ATOM 9517 N N . SER B 2 560 ? -25.026 -25.539 76.080 1.00 60.66 ? 1238 SER A N 1 ATOM 9518 C CA . SER B 2 560 ? -23.596 -25.757 76.239 1.00 58.77 ? 1238 SER A CA 1 ATOM 9519 C C . SER B 2 560 ? -22.803 -24.946 75.220 1.00 55.27 ? 1238 SER A C 1 ATOM 9520 O O . SER B 2 560 ? -23.247 -24.719 74.090 1.00 52.62 ? 1238 SER A O 1 ATOM 9521 C CB . SER B 2 560 ? -23.262 -27.241 76.096 1.00 60.82 ? 1238 SER A CB 1 ATOM 9522 O OG . SER B 2 560 ? -23.750 -27.747 74.867 1.00 62.68 ? 1238 SER A OG 1 ATOM 9523 N N . VAL B 2 561 ? -21.617 -24.518 75.631 1.00 54.75 ? 1239 VAL A N 1 ATOM 9524 C CA . VAL B 2 561 ? -20.749 -23.663 74.823 1.00 52.08 ? 1239 VAL A CA 1 ATOM 9525 C C . VAL B 2 561 ? -19.615 -24.517 74.267 1.00 53.98 ? 1239 VAL A C 1 ATOM 9526 O O . VAL B 2 561 ? -18.922 -25.183 75.049 1.00 57.49 ? 1239 VAL A O 1 ATOM 9527 C CB . VAL B 2 561 ? -20.187 -22.488 75.646 1.00 52.59 ? 1239 VAL A CB 1 ATOM 9528 C CG1 . VAL B 2 561 ? -19.283 -21.614 74.784 1.00 55.04 ? 1239 VAL A CG1 1 ATOM 9529 C CG2 . VAL B 2 561 ? -21.316 -21.667 76.262 1.00 50.19 ? 1239 VAL A CG2 1 ATOM 9530 N N . PRO B 2 562 ? -19.389 -24.520 72.956 1.00 52.87 ? 1240 PRO A N 1 ATOM 9531 C CA . PRO B 2 562 ? -18.318 -25.349 72.393 1.00 51.91 ? 1240 PRO A CA 1 ATOM 9532 C C . PRO B 2 562 ? -16.944 -24.880 72.841 1.00 56.61 ? 1240 PRO A C 1 ATOM 9533 O O . PRO B 2 562 ? -16.704 -23.688 73.052 1.00 58.22 ? 1240 PRO A O 1 ATOM 9534 C CB . PRO B 2 562 ? -18.489 -25.175 70.877 1.00 49.82 ? 1240 PRO A CB 1 ATOM 9535 C CG . PRO B 2 562 ? -19.861 -24.606 70.691 1.00 50.77 ? 1240 PRO A CG 1 ATOM 9536 C CD . PRO B 2 562 ? -20.138 -23.798 71.916 1.00 53.27 ? 1240 PRO A CD 1 ATOM 9537 N N . ASN B 2 563 ? -16.029 -25.844 72.973 1.00 59.42 ? 1241 ASN A N 1 ATOM 9538 C CA . ASN B 2 563 ? -14.657 -25.554 73.368 1.00 63.64 ? 1241 ASN A CA 1 ATOM 9539 C C . ASN B 2 563 ? -13.714 -25.386 72.184 1.00 60.30 ? 1241 ASN A C 1 ATOM 9540 O O . ASN B 2 563 ? -12.658 -24.761 72.337 1.00 62.75 ? 1241 ASN A O 1 ATOM 9541 C CB . ASN B 2 563 ? -14.127 -26.658 74.289 1.00 74.34 ? 1241 ASN A CB 1 ATOM 9542 C CG . ASN B 2 563 ? -14.786 -26.642 75.658 1.00 90.23 ? 1241 ASN A CG 1 ATOM 9543 O OD1 . ASN B 2 563 ? -14.308 -25.985 76.583 1.00 99.53 ? 1241 ASN A OD1 1 ATOM 9544 N ND2 . ASN B 2 563 ? -15.892 -27.366 75.791 1.00 94.55 ? 1241 ASN A ND2 1 ATOM 9545 N N . THR B 2 564 ? -14.055 -25.935 71.019 1.00 54.75 ? 1242 THR A N 1 ATOM 9546 C CA . THR B 2 564 ? -13.303 -25.714 69.792 1.00 50.61 ? 1242 THR A CA 1 ATOM 9547 C C . THR B 2 564 ? -14.273 -25.415 68.659 1.00 47.86 ? 1242 THR A C 1 ATOM 9548 O O . THR B 2 564 ? -15.445 -25.800 68.696 1.00 46.22 ? 1242 THR A O 1 ATOM 9549 C CB . THR B 2 564 ? -12.429 -26.917 69.394 1.00 50.35 ? 1242 THR A CB 1 ATOM 9550 O OG1 . THR B 2 564 ? -13.260 -28.063 69.175 1.00 50.04 ? 1242 THR A OG1 1 ATOM 9551 C CG2 . THR B 2 564 ? -11.398 -27.231 70.469 1.00 56.92 ? 1242 THR A CG2 1 ATOM 9552 N N . GLY B 2 565 ? -13.761 -24.731 67.637 1.00 47.99 ? 1243 GLY A N 1 ATOM 9553 C CA . GLY B 2 565 ? -14.591 -24.351 66.519 1.00 48.17 ? 1243 GLY A CA 1 ATOM 9554 C C . GLY B 2 565 ? -14.853 -25.497 65.562 1.00 47.84 ? 1243 GLY A C 1 ATOM 9555 O O . GLY B 2 565 ? -14.112 -26.477 65.493 1.00 49.87 ? 1243 GLY A O 1 ATOM 9556 N N . THR B 2 566 ? -15.950 -25.365 64.822 1.00 47.87 ? 1244 THR A N 1 ATOM 9557 C CA . THR B 2 566 ? -16.316 -26.289 63.762 1.00 48.01 ? 1244 THR A CA 1 ATOM 9558 C C . THR B 2 566 ? -16.635 -25.490 62.507 1.00 47.40 ? 1244 THR A C 1 ATOM 9559 O O . THR B 2 566 ? -16.599 -24.257 62.502 1.00 46.15 ? 1244 THR A O 1 ATOM 9560 C CB . THR B 2 566 ? -17.513 -27.163 64.157 1.00 49.16 ? 1244 THR A CB 1 ATOM 9561 O OG1 . THR B 2 566 ? -18.669 -26.339 64.361 1.00 48.99 ? 1244 THR A OG1 1 ATOM 9562 C CG2 . THR B 2 566 ? -17.204 -27.954 65.420 1.00 47.04 ? 1244 THR A CG2 1 ATOM 9563 N N . ALA B 2 567 ? -16.958 -26.207 61.430 1.00 43.45 ? 1245 ALA A N 1 ATOM 9564 C CA . ALA B 2 567 ? -17.288 -25.532 60.181 1.00 38.93 ? 1245 ALA A CA 1 ATOM 9565 C C . ALA B 2 567 ? -18.596 -24.756 60.299 1.00 35.45 ? 1245 ALA A C 1 ATOM 9566 O O . ALA B 2 567 ? -18.699 -23.630 59.800 1.00 37.77 ? 1245 ALA A O 1 ATOM 9567 C CB . ALA B 2 567 ? -17.353 -26.545 59.041 1.00 28.22 ? 1245 ALA A CB 1 ATOM 9568 N N . ARG B 2 568 ? -19.606 -25.336 60.957 1.00 37.58 ? 1246 ARG A N 1 ATOM 9569 C CA . ARG B 2 568 ? -20.877 -24.635 61.126 1.00 41.48 ? 1246 ARG A CA 1 ATOM 9570 C C . ARG B 2 568 ? -20.718 -23.394 61.988 1.00 43.71 ? 1246 ARG A C 1 ATOM 9571 O O . ARG B 2 568 ? -21.424 -22.399 61.785 1.00 45.34 ? 1246 ARG A O 1 ATOM 9572 C CB . ARG B 2 568 ? -21.921 -25.560 61.748 1.00 43.91 ? 1246 ARG A CB 1 ATOM 9573 C CG . ARG B 2 568 ? -22.395 -26.677 60.851 1.00 48.72 ? 1246 ARG A CG 1 ATOM 9574 C CD . ARG B 2 568 ? -23.473 -26.211 59.894 1.00 52.60 ? 1246 ARG A CD 1 ATOM 9575 N NE . ARG B 2 568 ? -24.016 -27.339 59.143 1.00 57.26 ? 1246 ARG A NE 1 ATOM 9576 C CZ . ARG B 2 568 ? -25.135 -27.976 59.469 1.00 58.28 ? 1246 ARG A CZ 1 ATOM 9577 N NH1 . ARG B 2 568 ? -25.836 -27.584 60.523 1.00 58.09 ? 1246 ARG A NH1 1 ATOM 9578 N NH2 . ARG B 2 568 ? -25.556 -28.999 58.739 1.00 59.27 ? 1246 ARG A NH2 1 ATOM 9579 N N . MET B 2 569 ? -19.815 -23.443 62.966 1.00 41.10 ? 1247 MET A N 1 ATOM 9580 C CA . MET B 2 569 ? -19.561 -22.280 63.807 1.00 41.80 ? 1247 MET A CA 1 ATOM 9581 C C . MET B 2 569 ? -18.998 -21.134 62.983 1.00 40.23 ? 1247 MET A C 1 ATOM 9582 O O . MET B 2 569 ? -19.478 -19.997 63.057 1.00 42.75 ? 1247 MET A O 1 ATOM 9583 C CB . MET B 2 569 ? -18.596 -22.663 64.926 1.00 44.99 ? 1247 MET A CB 1 ATOM 9584 C CG . MET B 2 569 ? -19.114 -22.405 66.317 1.00 49.64 ? 1247 MET A CG 1 ATOM 9585 S SD . MET B 2 569 ? -18.167 -23.320 67.539 1.00 50.82 ? 1247 MET A SD 1 ATOM 9586 C CE . MET B 2 569 ? -18.722 -24.969 67.154 1.00 47.18 ? 1247 MET A CE 1 ATOM 9587 N N . VAL B 2 570 ? -17.976 -21.424 62.180 1.00 36.78 ? 1248 VAL A N 1 ATOM 9588 C CA . VAL B 2 570 ? -17.368 -20.389 61.362 1.00 36.64 ? 1248 VAL A CA 1 ATOM 9589 C C . VAL B 2 570 ? -18.334 -19.903 60.295 1.00 40.51 ? 1248 VAL A C 1 ATOM 9590 O O . VAL B 2 570 ? -18.326 -18.720 59.940 1.00 43.60 ? 1248 VAL A O 1 ATOM 9591 C CB . VAL B 2 570 ? -16.060 -20.914 60.753 1.00 33.91 ? 1248 VAL A CB 1 ATOM 9592 C CG1 . VAL B 2 570 ? -15.452 -19.878 59.813 1.00 29.10 ? 1248 VAL A CG1 1 ATOM 9593 C CG2 . VAL B 2 570 ? -15.096 -21.267 61.866 1.00 29.24 ? 1248 VAL A CG2 1 ATOM 9594 N N . GLU B 2 571 ? -19.194 -20.783 59.778 1.00 36.45 ? 1249 GLU A N 1 ATOM 9595 C CA . GLU B 2 571 ? -20.103 -20.359 58.717 1.00 38.11 ? 1249 GLU A CA 1 ATOM 9596 C C . GLU B 2 571 ? -21.236 -19.501 59.270 1.00 42.38 ? 1249 GLU A C 1 ATOM 9597 O O . GLU B 2 571 ? -21.608 -18.488 58.664 1.00 45.31 ? 1249 GLU A O 1 ATOM 9598 C CB . GLU B 2 571 ? -20.650 -21.577 57.974 1.00 37.44 ? 1249 GLU A CB 1 ATOM 9599 C CG . GLU B 2 571 ? -21.423 -21.228 56.719 1.00 40.21 ? 1249 GLU A CG 1 ATOM 9600 C CD . GLU B 2 571 ? -21.885 -22.449 55.952 1.00 45.89 ? 1249 GLU A CD 1 ATOM 9601 O OE1 . GLU B 2 571 ? -21.427 -23.567 56.269 1.00 43.89 ? 1249 GLU A OE1 1 ATOM 9602 O OE2 . GLU B 2 571 ? -22.714 -22.288 55.028 1.00 49.78 ? 1249 GLU A OE2 1 ATOM 9603 N N . THR B 2 572 ? -21.795 -19.887 60.420 1.00 39.45 ? 1250 THR A N 1 ATOM 9604 C CA . THR B 2 572 ? -22.806 -19.058 61.070 1.00 38.74 ? 1250 THR A CA 1 ATOM 9605 C C . THR B 2 572 ? -22.222 -17.709 61.469 1.00 40.98 ? 1250 THR A C 1 ATOM 9606 O O . THR B 2 572 ? -22.805 -16.653 61.183 1.00 42.74 ? 1250 THR A O 1 ATOM 9607 C CB . THR B 2 572 ? -23.370 -19.777 62.296 1.00 42.22 ? 1250 THR A CB 1 ATOM 9608 O OG1 . THR B 2 572 ? -23.873 -21.065 61.915 1.00 46.30 ? 1250 THR A OG1 1 ATOM 9609 C CG2 . THR B 2 572 ? -24.492 -18.959 62.925 1.00 37.43 ? 1250 THR A CG2 1 ATOM 9610 N N . THR B 2 573 ? -21.058 -17.728 62.125 1.00 39.09 ? 1251 THR A N 1 ATOM 9611 C CA . THR B 2 573 ? -20.406 -16.480 62.507 1.00 40.53 ? 1251 THR A CA 1 ATOM 9612 C C . THR B 2 573 ? -20.105 -15.616 61.286 1.00 34.94 ? 1251 THR A C 1 ATOM 9613 O O . THR B 2 573 ? -20.265 -14.392 61.333 1.00 33.00 ? 1251 THR A O 1 ATOM 9614 C CB . THR B 2 573 ? -19.128 -16.773 63.294 1.00 40.08 ? 1251 THR A CB 1 ATOM 9615 O OG1 . THR B 2 573 ? -19.450 -17.568 64.441 1.00 46.28 ? 1251 THR A OG1 1 ATOM 9616 C CG2 . THR B 2 573 ? -18.479 -15.482 63.753 1.00 32.05 ? 1251 THR A CG2 1 ATOM 9617 N N . ALA B 2 574 ? -19.688 -16.237 60.177 1.00 32.72 ? 1252 ALA A N 1 ATOM 9618 C CA . ALA B 2 574 ? -19.415 -15.481 58.955 1.00 31.01 ? 1252 ALA A CA 1 ATOM 9619 C C . ALA B 2 574 ? -20.683 -14.847 58.392 1.00 33.85 ? 1252 ALA A C 1 ATOM 9620 O O . ALA B 2 574 ? -20.673 -13.672 58.013 1.00 31.80 ? 1252 ALA A O 1 ATOM 9621 C CB . ALA B 2 574 ? -18.756 -16.378 57.908 1.00 30.35 ? 1252 ALA A CB 1 ATOM 9622 N N . TYR B 2 575 ? -21.783 -15.603 58.329 1.00 36.00 ? 1253 TYR A N 1 ATOM 9623 C CA . TYR B 2 575 ? -23.041 -15.018 57.869 1.00 41.53 ? 1253 TYR A CA 1 ATOM 9624 C C . TYR B 2 575 ? -23.462 -13.845 58.750 1.00 43.75 ? 1253 TYR A C 1 ATOM 9625 O O . TYR B 2 575 ? -23.889 -12.801 58.242 1.00 41.86 ? 1253 TYR A O 1 ATOM 9626 C CB . TYR B 2 575 ? -24.146 -16.075 57.823 1.00 43.59 ? 1253 TYR A CB 1 ATOM 9627 C CG . TYR B 2 575 ? -24.002 -17.068 56.696 1.00 44.07 ? 1253 TYR A CG 1 ATOM 9628 C CD1 . TYR B 2 575 ? -23.414 -16.702 55.493 1.00 46.36 ? 1253 TYR A CD1 1 ATOM 9629 C CD2 . TYR B 2 575 ? -24.444 -18.377 56.837 1.00 42.62 ? 1253 TYR A CD2 1 ATOM 9630 C CE1 . TYR B 2 575 ? -23.276 -17.613 54.458 1.00 45.16 ? 1253 TYR A CE1 1 ATOM 9631 C CE2 . TYR B 2 575 ? -24.307 -19.294 55.810 1.00 43.11 ? 1253 TYR A CE2 1 ATOM 9632 C CZ . TYR B 2 575 ? -23.724 -18.907 54.624 1.00 46.12 ? 1253 TYR A CZ 1 ATOM 9633 O OH . TYR B 2 575 ? -23.588 -19.815 53.602 1.00 53.66 ? 1253 TYR A OH 1 ATOM 9634 N N . ALA B 2 576 ? -23.350 -13.993 60.074 1.00 46.95 ? 1254 ALA A N 1 ATOM 9635 C CA . ALA B 2 576 ? -23.719 -12.890 60.959 1.00 41.87 ? 1254 ALA A CA 1 ATOM 9636 C C . ALA B 2 576 ? -22.803 -11.692 60.749 1.00 41.22 ? 1254 ALA A C 1 ATOM 9637 O O . ALA B 2 576 ? -23.255 -10.538 60.771 1.00 37.65 ? 1254 ALA A O 1 ATOM 9638 C CB . ALA B 2 576 ? -23.682 -13.344 62.418 1.00 43.86 ? 1254 ALA A CB 1 ATOM 9639 N N . LEU B 2 577 ? -21.512 -11.949 60.531 1.00 42.21 ? 1255 LEU A N 1 ATOM 9640 C CA . LEU B 2 577 ? -20.566 -10.864 60.303 1.00 40.38 ? 1255 LEU A CA 1 ATOM 9641 C C . LEU B 2 577 ? -20.891 -10.110 59.021 1.00 41.13 ? 1255 LEU A C 1 ATOM 9642 O O . LEU B 2 577 ? -20.882 -8.874 59.002 1.00 41.30 ? 1255 LEU A O 1 ATOM 9643 C CB . LEU B 2 577 ? -19.143 -11.414 60.251 1.00 33.53 ? 1255 LEU A CB 1 ATOM 9644 C CG . LEU B 2 577 ? -18.127 -10.410 59.715 1.00 37.44 ? 1255 LEU A CG 1 ATOM 9645 C CD1 . LEU B 2 577 ? -17.957 -9.226 60.659 1.00 39.20 ? 1255 LEU A CD1 1 ATOM 9646 C CD2 . LEU B 2 577 ? -16.810 -11.098 59.467 1.00 39.01 ? 1255 LEU A CD2 1 ATOM 9647 N N . LEU B 2 578 ? -21.182 -10.837 57.939 1.00 43.08 ? 1256 LEU A N 1 ATOM 9648 C CA . LEU B 2 578 ? -21.523 -10.187 56.677 1.00 47.07 ? 1256 LEU A CA 1 ATOM 9649 C C . LEU B 2 578 ? -22.843 -9.428 56.785 1.00 45.18 ? 1256 LEU A C 1 ATOM 9650 O O . LEU B 2 578 ? -22.990 -8.341 56.212 1.00 38.28 ? 1256 LEU A O 1 ATOM 9651 C CB . LEU B 2 578 ? -21.576 -11.224 55.554 1.00 41.81 ? 1256 LEU A CB 1 ATOM 9652 C CG . LEU B 2 578 ? -20.253 -11.900 55.189 1.00 41.59 ? 1256 LEU A CG 1 ATOM 9653 C CD1 . LEU B 2 578 ? -20.484 -13.070 54.249 1.00 45.14 ? 1256 LEU A CD1 1 ATOM 9654 C CD2 . LEU B 2 578 ? -19.300 -10.903 54.557 1.00 36.89 ? 1256 LEU A CD2 1 ATOM 9655 N N . THR B 2 579 ? -23.809 -9.978 57.526 1.00 45.91 ? 1257 THR A N 1 ATOM 9656 C CA . THR B 2 579 ? -25.047 -9.248 57.779 1.00 45.13 ? 1257 THR A CA 1 ATOM 9657 C C . THR B 2 579 ? -24.774 -7.940 58.508 1.00 49.71 ? 1257 THR A C 1 ATOM 9658 O O . THR B 2 579 ? -25.360 -6.902 58.179 1.00 57.24 ? 1257 THR A O 1 ATOM 9659 C CB . THR B 2 579 ? -26.014 -10.106 58.590 1.00 43.06 ? 1257 THR A CB 1 ATOM 9660 O OG1 . THR B 2 579 ? -26.131 -11.399 57.985 1.00 48.18 ? 1257 THR A OG1 1 ATOM 9661 C CG2 . THR B 2 579 ? -27.378 -9.457 58.625 1.00 36.08 ? 1257 THR A CG2 1 ATOM 9662 N N . SER B 2 580 ? -23.884 -7.966 59.501 1.00 49.54 ? 1258 SER A N 1 ATOM 9663 C CA . SER B 2 580 ? -23.576 -6.743 60.233 1.00 47.25 ? 1258 SER A CA 1 ATOM 9664 C C . SER B 2 580 ? -22.825 -5.746 59.361 1.00 49.30 ? 1258 SER A C 1 ATOM 9665 O O . SER B 2 580 ? -23.059 -4.535 59.451 1.00 50.60 ? 1258 SER A O 1 ATOM 9666 C CB . SER B 2 580 ? -22.778 -7.074 61.487 1.00 42.55 ? 1258 SER A CB 1 ATOM 9667 O OG . SER B 2 580 ? -23.570 -7.854 62.361 1.00 42.47 ? 1258 SER A OG 1 ATOM 9668 N N . LEU B 2 581 ? -21.919 -6.234 58.510 1.00 50.29 ? 1259 LEU A N 1 ATOM 9669 C CA . LEU B 2 581 ? -21.189 -5.339 57.618 1.00 41.62 ? 1259 LEU A CA 1 ATOM 9670 C C . LEU B 2 581 ? -22.128 -4.674 56.620 1.00 40.47 ? 1259 LEU A C 1 ATOM 9671 O O . LEU B 2 581 ? -21.995 -3.478 56.332 1.00 46.18 ? 1259 LEU A O 1 ATOM 9672 C CB . LEU B 2 581 ? -20.081 -6.104 56.895 1.00 36.09 ? 1259 LEU A CB 1 ATOM 9673 C CG . LEU B 2 581 ? -18.895 -6.540 57.756 1.00 34.70 ? 1259 LEU A CG 1 ATOM 9674 C CD1 . LEU B 2 581 ? -17.942 -7.407 56.966 1.00 35.50 ? 1259 LEU A CD1 1 ATOM 9675 C CD2 . LEU B 2 581 ? -18.165 -5.328 58.289 1.00 36.72 ? 1259 LEU A CD2 1 ATOM 9676 N N . ASN B 2 582 ? -23.095 -5.429 56.092 1.00 38.11 ? 1260 ASN A N 1 ATOM 9677 C CA . ASN B 2 582 ? -24.093 -4.837 55.209 1.00 43.73 ? 1260 ASN A CA 1 ATOM 9678 C C . ASN B 2 582 ? -24.977 -3.829 55.934 1.00 48.89 ? 1260 ASN A C 1 ATOM 9679 O O . ASN B 2 582 ? -25.584 -2.972 55.285 1.00 52.91 ? 1260 ASN A O 1 ATOM 9680 C CB . ASN B 2 582 ? -24.949 -5.935 54.573 1.00 45.26 ? 1260 ASN A CB 1 ATOM 9681 C CG . ASN B 2 582 ? -24.186 -6.735 53.529 1.00 46.77 ? 1260 ASN A CG 1 ATOM 9682 O OD1 . ASN B 2 582 ? -23.007 -6.484 53.278 1.00 45.10 ? 1260 ASN A OD1 1 ATOM 9683 N ND2 . ASN B 2 582 ? -24.856 -7.708 52.920 1.00 46.63 ? 1260 ASN A ND2 1 ATOM 9684 N N . LEU B 2 583 ? -25.059 -3.906 57.259 1.00 47.72 ? 1261 LEU A N 1 ATOM 9685 C CA . LEU B 2 583 ? -25.806 -2.936 58.044 1.00 47.58 ? 1261 LEU A CA 1 ATOM 9686 C C . LEU B 2 583 ? -24.927 -1.817 58.582 1.00 49.33 ? 1261 LEU A C 1 ATOM 9687 O O . LEU B 2 583 ? -25.440 -0.921 59.261 1.00 52.88 ? 1261 LEU A O 1 ATOM 9688 C CB . LEU B 2 583 ? -26.522 -3.632 59.204 1.00 46.21 ? 1261 LEU A CB 1 ATOM 9689 C CG . LEU B 2 583 ? -27.564 -4.675 58.804 1.00 47.77 ? 1261 LEU A CG 1 ATOM 9690 C CD1 . LEU B 2 583 ? -28.129 -5.365 60.033 1.00 47.91 ? 1261 LEU A CD1 1 ATOM 9691 C CD2 . LEU B 2 583 ? -28.673 -4.033 57.989 1.00 51.17 ? 1261 LEU A CD2 1 ATOM 9692 N N . LYS B 2 584 ? -23.622 -1.851 58.298 1.00 47.33 ? 1262 LYS A N 1 ATOM 9693 C CA . LYS B 2 584 ? -22.678 -0.830 58.754 1.00 52.04 ? 1262 LYS A CA 1 ATOM 9694 C C . LYS B 2 584 ? -22.649 -0.731 60.281 1.00 58.99 ? 1262 LYS A C 1 ATOM 9695 O O . LYS B 2 584 ? -22.583 0.363 60.846 1.00 61.24 ? 1262 LYS A O 1 ATOM 9696 C CB . LYS B 2 584 ? -22.994 0.533 58.130 1.00 58.33 ? 1262 LYS A CB 1 ATOM 9697 C CG . LYS B 2 584 ? -23.009 0.553 56.608 1.00 64.26 ? 1262 LYS A CG 1 ATOM 9698 C CD . LYS B 2 584 ? -23.565 1.874 56.093 1.00 73.13 ? 1262 LYS A CD 1 ATOM 9699 C CE . LYS B 2 584 ? -23.598 1.913 54.578 1.00 77.26 ? 1262 LYS A CE 1 ATOM 9700 N NZ . LYS B 2 584 ? -22.245 1.645 54.026 1.00 80.55 ? 1262 LYS A NZ 1 ATOM 9701 N N . ASP B 2 585 ? -22.684 -1.884 60.955 1.00 60.04 ? 1263 ASP A N 1 ATOM 9702 C CA . ASP B 2 585 ? -22.694 -1.953 62.418 1.00 59.63 ? 1263 ASP A CA 1 ATOM 9703 C C . ASP B 2 585 ? -21.261 -2.166 62.902 1.00 55.41 ? 1263 ASP A C 1 ATOM 9704 O O . ASP B 2 585 ? -20.853 -3.263 63.275 1.00 58.43 ? 1263 ASP A O 1 ATOM 9705 C CB . ASP B 2 585 ? -23.621 -3.067 62.889 1.00 62.63 ? 1263 ASP A CB 1 ATOM 9706 C CG . ASP B 2 585 ? -23.925 -2.990 64.369 1.00 70.55 ? 1263 ASP A CG 1 ATOM 9707 O OD1 . ASP B 2 585 ? -23.259 -2.211 65.086 1.00 76.12 ? 1263 ASP A OD1 1 ATOM 9708 O OD2 . ASP B 2 585 ? -24.834 -3.718 64.818 1.00 71.64 ? 1263 ASP A OD2 1 ATOM 9709 N N . ILE B 2 586 ? -20.496 -1.073 62.917 1.00 56.26 ? 1264 ILE A N 1 ATOM 9710 C CA . ILE B 2 586 ? -19.057 -1.177 63.142 1.00 60.88 ? 1264 ILE A CA 1 ATOM 9711 C C . ILE B 2 586 ? -18.734 -1.450 64.608 1.00 63.46 ? 1264 ILE A C 1 ATOM 9712 O O . ILE B 2 586 ? -17.678 -2.012 64.916 1.00 65.91 ? 1264 ILE A O 1 ATOM 9713 C CB . ILE B 2 586 ? -18.353 0.091 62.632 1.00 64.82 ? 1264 ILE A CB 1 ATOM 9714 C CG1 . ILE B 2 586 ? -19.021 1.330 63.231 1.00 65.18 ? 1264 ILE A CG1 1 ATOM 9715 C CG2 . ILE B 2 586 ? -18.380 0.133 61.096 1.00 65.38 ? 1264 ILE A CG2 1 ATOM 9716 C CD1 . ILE B 2 586 ? -18.375 2.640 62.820 1.00 65.09 ? 1264 ILE A CD1 1 ATOM 9717 N N . ASN B 2 587 ? -19.615 -1.066 65.530 1.00 64.62 ? 1265 ASN A N 1 ATOM 9718 C CA . ASN B 2 587 ? -19.333 -1.311 66.939 1.00 68.08 ? 1265 ASN A CA 1 ATOM 9719 C C . ASN B 2 587 ? -19.424 -2.785 67.290 1.00 64.25 ? 1265 ASN A C 1 ATOM 9720 O O . ASN B 2 587 ? -18.873 -3.203 68.310 1.00 70.18 ? 1265 ASN A O 1 ATOM 9721 C CB . ASN B 2 587 ? -20.296 -0.516 67.818 1.00 74.85 ? 1265 ASN A CB 1 ATOM 9722 C CG . ASN B 2 587 ? -20.157 0.987 67.634 1.00 80.77 ? 1265 ASN A CG 1 ATOM 9723 O OD1 . ASN B 2 587 ? -19.092 1.491 67.265 1.00 84.16 ? 1265 ASN A OD1 1 ATOM 9724 N ND2 . ASN B 2 587 ? -21.233 1.711 67.908 1.00 79.92 ? 1265 ASN A ND2 1 ATOM 9725 N N . TYR B 2 588 ? -20.086 -3.580 66.456 1.00 56.67 ? 1266 TYR A N 1 ATOM 9726 C CA . TYR B 2 588 ? -20.447 -4.946 66.798 1.00 48.50 ? 1266 TYR A CA 1 ATOM 9727 C C . TYR B 2 588 ? -19.503 -5.987 66.213 1.00 51.06 ? 1266 TYR A C 1 ATOM 9728 O O . TYR B 2 588 ? -19.507 -7.131 66.680 1.00 53.65 ? 1266 TYR A O 1 ATOM 9729 C CB . TYR B 2 588 ? -21.878 -5.215 66.314 1.00 42.41 ? 1266 TYR A CB 1 ATOM 9730 C CG . TYR B 2 588 ? -22.545 -6.463 66.831 1.00 41.49 ? 1266 TYR A CG 1 ATOM 9731 C CD1 . TYR B 2 588 ? -22.927 -6.572 68.162 1.00 41.55 ? 1266 TYR A CD1 1 ATOM 9732 C CD2 . TYR B 2 588 ? -22.843 -7.518 65.974 1.00 37.44 ? 1266 TYR A CD2 1 ATOM 9733 C CE1 . TYR B 2 588 ? -23.559 -7.709 68.635 1.00 42.00 ? 1266 TYR A CE1 1 ATOM 9734 C CE2 . TYR B 2 588 ? -23.475 -8.658 66.437 1.00 41.44 ? 1266 TYR A CE2 1 ATOM 9735 C CZ . TYR B 2 588 ? -23.832 -8.748 67.769 1.00 45.35 ? 1266 TYR A CZ 1 ATOM 9736 O OH . TYR B 2 588 ? -24.462 -9.878 68.238 1.00 51.49 ? 1266 TYR A OH 1 ATOM 9737 N N . VAL B 2 589 ? -18.683 -5.617 65.228 1.00 49.45 ? 1267 VAL A N 1 ATOM 9738 C CA . VAL B 2 589 ? -17.961 -6.601 64.429 1.00 47.00 ? 1267 VAL A CA 1 ATOM 9739 C C . VAL B 2 589 ? -16.528 -6.849 64.888 1.00 47.81 ? 1267 VAL A C 1 ATOM 9740 O O . VAL B 2 589 ? -15.955 -7.887 64.528 1.00 49.69 ? 1267 VAL A O 1 ATOM 9741 C CB . VAL B 2 589 ? -17.955 -6.201 62.939 1.00 45.35 ? 1267 VAL A CB 1 ATOM 9742 C CG1 . VAL B 2 589 ? -19.357 -6.281 62.350 1.00 42.07 ? 1267 VAL A CG1 1 ATOM 9743 C CG2 . VAL B 2 589 ? -17.369 -4.812 62.770 1.00 45.82 ? 1267 VAL A CG2 1 ATOM 9744 N N . ASN B 2 590 ? -15.929 -5.936 65.651 1.00 48.95 ? 1268 ASN A N 1 ATOM 9745 C CA . ASN B 2 590 ? -14.514 -6.093 65.991 1.00 48.27 ? 1268 ASN A CA 1 ATOM 9746 C C . ASN B 2 590 ? -14.219 -7.391 66.735 1.00 47.32 ? 1268 ASN A C 1 ATOM 9747 O O . ASN B 2 590 ? -13.302 -8.119 66.312 1.00 45.24 ? 1268 ASN A O 1 ATOM 9748 C CB . ASN B 2 590 ? -14.026 -4.863 66.765 1.00 51.65 ? 1268 ASN A CB 1 ATOM 9749 C CG . ASN B 2 590 ? -13.786 -3.663 65.862 1.00 57.40 ? 1268 ASN A CG 1 ATOM 9750 O OD1 . ASN B 2 590 ? -14.401 -3.533 64.803 1.00 60.12 ? 1268 ASN A OD1 1 ATOM 9751 N ND2 . ASN B 2 590 ? -12.879 -2.784 66.275 1.00 57.94 ? 1268 ASN A ND2 1 ATOM 9752 N N . PRO B 2 591 ? -14.930 -7.757 67.811 1.00 49.85 ? 1269 PRO A N 1 ATOM 9753 C CA . PRO B 2 591 ? -14.651 -9.065 68.433 1.00 49.96 ? 1269 PRO A CA 1 ATOM 9754 C C . PRO B 2 591 ? -14.973 -10.231 67.519 1.00 49.48 ? 1269 PRO A C 1 ATOM 9755 O O . PRO B 2 591 ? -14.317 -11.279 67.604 1.00 51.54 ? 1269 PRO A O 1 ATOM 9756 C CB . PRO B 2 591 ? -15.536 -9.058 69.688 1.00 52.77 ? 1269 PRO A CB 1 ATOM 9757 C CG . PRO B 2 591 ? -16.603 -8.060 69.405 1.00 49.86 ? 1269 PRO A CG 1 ATOM 9758 C CD . PRO B 2 591 ? -15.961 -7.010 68.558 1.00 48.86 ? 1269 PRO A CD 1 ATOM 9759 N N . VAL B 2 592 ? -15.957 -10.070 66.633 1.00 48.24 ? 1270 VAL A N 1 ATOM 9760 C CA . VAL B 2 592 ? -16.245 -11.101 65.643 1.00 41.99 ? 1270 VAL A CA 1 ATOM 9761 C C . VAL B 2 592 ? -15.075 -11.254 64.683 1.00 40.49 ? 1270 VAL A C 1 ATOM 9762 O O . VAL B 2 592 ? -14.647 -12.374 64.380 1.00 37.67 ? 1270 VAL A O 1 ATOM 9763 C CB . VAL B 2 592 ? -17.547 -10.773 64.895 1.00 41.08 ? 1270 VAL A CB 1 ATOM 9764 C CG1 . VAL B 2 592 ? -17.874 -11.878 63.915 1.00 41.29 ? 1270 VAL A CG1 1 ATOM 9765 C CG2 . VAL B 2 592 ? -18.690 -10.574 65.878 1.00 41.66 ? 1270 VAL A CG2 1 ATOM 9766 N N . ILE B 2 593 ? -14.543 -10.133 64.188 1.00 40.99 ? 1271 ILE A N 1 ATOM 9767 C CA . ILE B 2 593 ? -13.385 -10.181 63.298 1.00 38.61 ? 1271 ILE A CA 1 ATOM 9768 C C . ILE B 2 593 ? -12.203 -10.839 63.998 1.00 43.14 ? 1271 ILE A C 1 ATOM 9769 O O . ILE B 2 593 ? -11.455 -11.612 63.386 1.00 41.08 ? 1271 ILE A O 1 ATOM 9770 C CB . ILE B 2 593 ? -13.031 -8.767 62.803 1.00 37.90 ? 1271 ILE A CB 1 ATOM 9771 C CG1 . ILE B 2 593 ? -14.123 -8.224 61.885 1.00 44.35 ? 1271 ILE A CG1 1 ATOM 9772 C CG2 . ILE B 2 593 ? -11.705 -8.776 62.068 1.00 35.07 ? 1271 ILE A CG2 1 ATOM 9773 C CD1 . ILE B 2 593 ? -14.224 -8.960 60.567 1.00 50.06 ? 1271 ILE A CD1 1 ATOM 9774 N N . LYS B 2 594 ? -12.010 -10.545 65.288 1.00 40.38 ? 1272 LYS A N 1 ATOM 9775 C CA . LYS B 2 594 ? -10.912 -11.171 66.018 1.00 38.63 ? 1272 LYS A CA 1 ATOM 9776 C C . LYS B 2 594 ? -11.120 -12.676 66.125 1.00 40.31 ? 1272 LYS A C 1 ATOM 9777 O O . LYS B 2 594 ? -10.177 -13.461 65.944 1.00 42.97 ? 1272 LYS A O 1 ATOM 9778 C CB . LYS B 2 594 ? -10.775 -10.544 67.405 1.00 44.18 ? 1272 LYS A CB 1 ATOM 9779 C CG . LYS B 2 594 ? -9.553 -11.009 68.180 1.00 46.01 ? 1272 LYS A CG 1 ATOM 9780 C CD . LYS B 2 594 ? -9.486 -10.341 69.545 1.00 47.78 ? 1272 LYS A CD 1 ATOM 9781 C CE . LYS B 2 594 ? -8.250 -10.771 70.327 1.00 50.99 ? 1272 LYS A CE 1 ATOM 9782 N NZ . LYS B 2 594 ? -6.978 -10.361 69.667 1.00 54.35 ? 1272 LYS A NZ 1 ATOM 9783 N N . TRP B 2 595 ? -12.357 -13.099 66.389 1.00 40.42 ? 1273 TRP A N 1 ATOM 9784 C CA . TRP B 2 595 ? -12.630 -14.527 66.512 1.00 39.10 ? 1273 TRP A CA 1 ATOM 9785 C C . TRP B 2 595 ? -12.442 -15.255 65.182 1.00 38.72 ? 1273 TRP A C 1 ATOM 9786 O O . TRP B 2 595 ? -11.833 -16.329 65.142 1.00 39.32 ? 1273 TRP A O 1 ATOM 9787 C CB . TRP B 2 595 ? -14.040 -14.744 67.055 1.00 37.60 ? 1273 TRP A CB 1 ATOM 9788 C CG . TRP B 2 595 ? -14.351 -16.182 67.316 1.00 42.40 ? 1273 TRP A CG 1 ATOM 9789 C CD1 . TRP B 2 595 ? -14.116 -16.877 68.469 1.00 40.87 ? 1273 TRP A CD1 1 ATOM 9790 C CD2 . TRP B 2 595 ? -14.944 -17.110 66.401 1.00 45.74 ? 1273 TRP A CD2 1 ATOM 9791 N NE1 . TRP B 2 595 ? -14.535 -18.176 68.330 1.00 43.26 ? 1273 TRP A NE1 1 ATOM 9792 C CE2 . TRP B 2 595 ? -15.046 -18.347 67.069 1.00 43.93 ? 1273 TRP A CE2 1 ATOM 9793 C CE3 . TRP B 2 595 ? -15.405 -17.014 65.083 1.00 46.86 ? 1273 TRP A CE3 1 ATOM 9794 C CZ2 . TRP B 2 595 ? -15.590 -19.481 66.464 1.00 39.17 ? 1273 TRP A CZ2 1 ATOM 9795 C CZ3 . TRP B 2 595 ? -15.945 -18.143 64.484 1.00 46.99 ? 1273 TRP A CZ3 1 ATOM 9796 C CH2 . TRP B 2 595 ? -16.033 -19.359 65.175 1.00 42.82 ? 1273 TRP A CH2 1 ATOM 9797 N N . LEU B 2 596 ? -12.962 -14.695 64.083 1.00 40.79 ? 1274 LEU A N 1 ATOM 9798 C CA . LEU B 2 596 ? -12.777 -15.326 62.777 1.00 43.94 ? 1274 LEU A CA 1 ATOM 9799 C C . LEU B 2 596 ? -11.315 -15.315 62.360 1.00 48.59 ? 1274 LEU A C 1 ATOM 9800 O O . LEU B 2 596 ? -10.831 -16.271 61.745 1.00 50.83 ? 1274 LEU A O 1 ATOM 9801 C CB . LEU B 2 596 ? -13.630 -14.627 61.719 1.00 41.35 ? 1274 LEU A CB 1 ATOM 9802 C CG . LEU B 2 596 ? -15.081 -15.097 61.651 1.00 42.82 ? 1274 LEU A CG 1 ATOM 9803 C CD1 . LEU B 2 596 ? -15.856 -14.332 60.600 1.00 40.86 ? 1274 LEU A CD1 1 ATOM 9804 C CD2 . LEU B 2 596 ? -15.135 -16.592 61.377 1.00 46.70 ? 1274 LEU A CD2 1 ATOM 9805 N N . SER B 2 597 ? -10.598 -14.240 62.678 1.00 50.31 ? 1275 SER A N 1 ATOM 9806 C CA . SER B 2 597 ? -9.189 -14.167 62.320 1.00 47.43 ? 1275 SER A CA 1 ATOM 9807 C C . SER B 2 597 ? -8.379 -15.228 63.051 1.00 49.81 ? 1275 SER A C 1 ATOM 9808 O O . SER B 2 597 ? -7.535 -15.898 62.445 1.00 47.45 ? 1275 SER A O 1 ATOM 9809 C CB . SER B 2 597 ? -8.641 -12.779 62.627 1.00 45.44 ? 1275 SER A CB 1 ATOM 9810 O OG . SER B 2 597 ? -7.229 -12.804 62.577 1.00 50.40 ? 1275 SER A OG 1 ATOM 9811 N N . GLU B 2 598 ? -8.615 -15.394 64.355 1.00 52.29 ? 1276 GLU A N 1 ATOM 9812 C CA . GLU B 2 598 ? -7.854 -16.386 65.105 1.00 47.87 ? 1276 GLU A CA 1 ATOM 9813 C C . GLU B 2 598 ? -8.313 -17.806 64.803 1.00 43.74 ? 1276 GLU A C 1 ATOM 9814 O O . GLU B 2 598 ? -7.536 -18.754 64.971 1.00 35.93 ? 1276 GLU A O 1 ATOM 9815 C CB . GLU B 2 598 ? -7.948 -16.093 66.602 1.00 44.82 ? 1276 GLU A CB 1 ATOM 9816 C CG . GLU B 2 598 ? -7.303 -14.779 66.976 1.00 48.84 ? 1276 GLU A CG 1 ATOM 9817 C CD . GLU B 2 598 ? -7.120 -14.623 68.461 1.00 56.92 ? 1276 GLU A CD 1 ATOM 9818 O OE1 . GLU B 2 598 ? -7.572 -15.513 69.212 1.00 63.38 ? 1276 GLU A OE1 1 ATOM 9819 O OE2 . GLU B 2 598 ? -6.519 -13.610 68.875 1.00 60.46 ? 1276 GLU A OE2 1 ATOM 9820 N N . GLU B 2 599 ? -9.559 -17.975 64.360 1.00 42.66 ? 1277 GLU A N 1 ATOM 9821 C CA . GLU B 2 599 ? -10.036 -19.284 63.937 1.00 42.29 ? 1277 GLU A CA 1 ATOM 9822 C C . GLU B 2 599 ? -9.498 -19.677 62.570 1.00 46.22 ? 1277 GLU A C 1 ATOM 9823 O O . GLU B 2 599 ? -9.648 -20.835 62.168 1.00 42.14 ? 1277 GLU A O 1 ATOM 9824 C CB . GLU B 2 599 ? -11.565 -19.298 63.917 1.00 49.40 ? 1277 GLU A CB 1 ATOM 9825 C CG . GLU B 2 599 ? -12.193 -20.664 64.133 1.00 55.14 ? 1277 GLU A CG 1 ATOM 9826 C CD . GLU B 2 599 ? -11.854 -21.259 65.484 1.00 59.89 ? 1277 GLU A CD 1 ATOM 9827 O OE1 . GLU B 2 599 ? -11.617 -22.482 65.544 1.00 63.71 ? 1277 GLU A OE1 1 ATOM 9828 O OE2 . GLU B 2 599 ? -11.822 -20.510 66.485 1.00 62.04 ? 1277 GLU A OE2 1 ATOM 9829 N N . GLN B 2 600 ? -8.883 -18.740 61.853 1.00 55.01 ? 1278 GLN A N 1 ATOM 9830 C CA . GLN B 2 600 ? -8.291 -19.023 60.559 1.00 52.08 ? 1278 GLN A CA 1 ATOM 9831 C C . GLN B 2 600 ? -7.122 -19.986 60.721 1.00 51.73 ? 1278 GLN A C 1 ATOM 9832 O O . GLN B 2 600 ? -6.626 -20.236 61.821 1.00 56.16 ? 1278 GLN A O 1 ATOM 9833 C CB . GLN B 2 600 ? -7.831 -17.730 59.885 1.00 56.94 ? 1278 GLN A CB 1 ATOM 9834 C CG . GLN B 2 600 ? -7.691 -17.816 58.368 1.00 58.13 ? 1278 GLN A CG 1 ATOM 9835 C CD . GLN B 2 600 ? -7.153 -16.536 57.760 1.00 56.27 ? 1278 GLN A CD 1 ATOM 9836 O OE1 . GLN B 2 600 ? -6.453 -15.766 58.423 1.00 59.55 ? 1278 GLN A OE1 1 ATOM 9837 N NE2 . GLN B 2 600 ? -7.482 -16.298 56.494 1.00 50.36 ? 1278 GLN A NE2 1 ATOM 9838 N N . ARG B 2 601 ? -6.676 -20.523 59.601 1.00 54.17 ? 1279 ARG A N 1 ATOM 9839 C CA . ARG B 2 601 ? -5.686 -21.579 59.593 1.00 56.79 ? 1279 ARG A CA 1 ATOM 9840 C C . ARG B 2 601 ? -4.518 -21.159 58.715 1.00 60.96 ? 1279 ARG A C 1 ATOM 9841 O O . ARG B 2 601 ? -4.685 -20.387 57.767 1.00 61.35 ? 1279 ARG A O 1 ATOM 9842 C CB . ARG B 2 601 ? -6.325 -22.868 59.092 1.00 61.97 ? 1279 ARG A CB 1 ATOM 9843 C CG . ARG B 2 601 ? -5.485 -24.102 59.193 1.00 72.30 ? 1279 ARG A CG 1 ATOM 9844 C CD . ARG B 2 601 ? -6.368 -25.301 58.937 1.00 78.31 ? 1279 ARG A CD 1 ATOM 9845 N NE . ARG B 2 601 ? -7.502 -25.308 59.855 1.00 82.98 ? 1279 ARG A NE 1 ATOM 9846 C CZ . ARG B 2 601 ? -8.472 -26.215 59.839 1.00 89.97 ? 1279 ARG A CZ 1 ATOM 9847 N NH1 . ARG B 2 601 ? -8.456 -27.198 58.945 1.00 92.45 ? 1279 ARG A NH1 1 ATOM 9848 N NH2 . ARG B 2 601 ? -9.459 -26.139 60.719 1.00 88.79 ? 1279 ARG A NH2 1 ATOM 9849 N N . TYR B 2 602 ? -3.327 -21.647 59.055 1.00 64.99 ? 1280 TYR A N 1 ATOM 9850 C CA . TYR B 2 602 ? -2.162 -21.420 58.208 1.00 66.42 ? 1280 TYR A CA 1 ATOM 9851 C C . TYR B 2 602 ? -2.453 -21.912 56.797 1.00 66.56 ? 1280 TYR A C 1 ATOM 9852 O O . TYR B 2 602 ? -2.797 -23.080 56.592 1.00 72.26 ? 1280 TYR A O 1 ATOM 9853 C CB . TYR B 2 602 ? -0.937 -22.123 58.790 1.00 70.83 ? 1280 TYR A CB 1 ATOM 9854 C CG . TYR B 2 602 ? 0.200 -22.306 57.811 1.00 72.47 ? 1280 TYR A CG 1 ATOM 9855 C CD1 . TYR B 2 602 ? 0.776 -21.217 57.170 1.00 71.76 ? 1280 TYR A CD1 1 ATOM 9856 C CD2 . TYR B 2 602 ? 0.708 -23.571 57.540 1.00 74.94 ? 1280 TYR A CD2 1 ATOM 9857 C CE1 . TYR B 2 602 ? 1.817 -21.384 56.277 1.00 74.46 ? 1280 TYR A CE1 1 ATOM 9858 C CE2 . TYR B 2 602 ? 1.748 -23.747 56.651 1.00 76.77 ? 1280 TYR A CE2 1 ATOM 9859 C CZ . TYR B 2 602 ? 2.299 -22.652 56.023 1.00 77.13 ? 1280 TYR A CZ 1 ATOM 9860 O OH . TYR B 2 602 ? 3.335 -22.830 55.137 1.00 78.83 ? 1280 TYR A OH 1 ATOM 9861 N N . GLY B 2 603 ? -2.328 -21.012 55.827 1.00 59.85 ? 1281 GLY A N 1 ATOM 9862 C CA . GLY B 2 603 ? -2.764 -21.250 54.471 1.00 51.74 ? 1281 GLY A CA 1 ATOM 9863 C C . GLY B 2 603 ? -3.908 -20.360 54.047 1.00 46.56 ? 1281 GLY A C 1 ATOM 9864 O O . GLY B 2 603 ? -4.074 -20.112 52.848 1.00 45.17 ? 1281 GLY A O 1 ATOM 9865 N N . GLY B 2 604 ? -4.686 -19.858 54.996 1.00 41.52 ? 1282 GLY A N 1 ATOM 9866 C CA . GLY B 2 604 ? -5.764 -18.941 54.719 1.00 40.19 ? 1282 GLY A CA 1 ATOM 9867 C C . GLY B 2 604 ? -7.144 -19.535 54.872 1.00 40.86 ? 1282 GLY A C 1 ATOM 9868 O O . GLY B 2 604 ? -8.098 -18.788 55.120 1.00 46.58 ? 1282 GLY A O 1 ATOM 9869 N N . GLY B 2 605 ? -7.282 -20.852 54.749 1.00 36.16 ? 1283 GLY A N 1 ATOM 9870 C CA . GLY B 2 605 ? -8.585 -21.477 54.795 1.00 41.37 ? 1283 GLY A CA 1 ATOM 9871 C C . GLY B 2 605 ? -9.060 -21.784 56.205 1.00 44.92 ? 1283 GLY A C 1 ATOM 9872 O O . GLY B 2 605 ? -8.419 -21.473 57.209 1.00 44.26 ? 1283 GLY A O 1 ATOM 9873 N N . PHE B 2 606 ? -10.227 -22.422 56.265 1.00 42.00 ? 1284 PHE A N 1 ATOM 9874 C CA . PHE B 2 606 ? -10.832 -22.783 57.540 1.00 37.13 ? 1284 PHE A CA 1 ATOM 9875 C C . PHE B 2 606 ? -11.120 -24.279 57.603 1.00 35.49 ? 1284 PHE A C 1 ATOM 9876 O O . PHE B 2 606 ? -10.243 -25.097 57.304 1.00 34.44 ? 1284 PHE A O 1 ATOM 9877 C CB . PHE B 2 606 ? -12.098 -21.954 57.766 1.00 32.48 ? 1284 PHE A CB 1 ATOM 9878 C CG . PHE B 2 606 ? -11.819 -20.498 58.037 1.00 36.48 ? 1284 PHE A CG 1 ATOM 9879 C CD1 . PHE B 2 606 ? -11.469 -19.636 57.007 1.00 32.80 ? 1284 PHE A CD1 1 ATOM 9880 C CD2 . PHE B 2 606 ? -11.890 -19.993 59.327 1.00 38.88 ? 1284 PHE A CD2 1 ATOM 9881 C CE1 . PHE B 2 606 ? -11.198 -18.296 57.261 1.00 31.49 ? 1284 PHE A CE1 1 ATOM 9882 C CE2 . PHE B 2 606 ? -11.627 -18.654 59.583 1.00 35.53 ? 1284 PHE A CE2 1 ATOM 9883 C CZ . PHE B 2 606 ? -11.279 -17.806 58.548 1.00 31.96 ? 1284 PHE A CZ 1 ATOM 9884 N N . TYR B 2 607 ? -12.336 -24.651 57.999 1.00 35.60 ? 1285 TYR A N 1 ATOM 9885 C CA . TYR B 2 607 ? -12.649 -26.058 58.229 1.00 38.58 ? 1285 TYR A CA 1 ATOM 9886 C C . TYR B 2 607 ? -13.154 -26.754 56.970 1.00 41.17 ? 1285 TYR A C 1 ATOM 9887 O O . TYR B 2 607 ? -12.638 -27.816 56.600 1.00 41.36 ? 1285 TYR A O 1 ATOM 9888 C CB . TYR B 2 607 ? -13.677 -26.192 59.357 1.00 40.83 ? 1285 TYR A CB 1 ATOM 9889 C CG . TYR B 2 607 ? -13.151 -25.764 60.702 1.00 44.38 ? 1285 TYR A CG 1 ATOM 9890 C CD1 . TYR B 2 607 ? -12.440 -26.646 61.500 1.00 44.43 ? 1285 TYR A CD1 1 ATOM 9891 C CD2 . TYR B 2 607 ? -13.370 -24.478 61.177 1.00 42.70 ? 1285 TYR A CD2 1 ATOM 9892 C CE1 . TYR B 2 607 ? -11.958 -26.262 62.730 1.00 45.44 ? 1285 TYR A CE1 1 ATOM 9893 C CE2 . TYR B 2 607 ? -12.893 -24.085 62.406 1.00 47.65 ? 1285 TYR A CE2 1 ATOM 9894 C CZ . TYR B 2 607 ? -12.187 -24.982 63.179 1.00 50.73 ? 1285 TYR A CZ 1 ATOM 9895 O OH . TYR B 2 607 ? -11.706 -24.596 64.407 1.00 55.42 ? 1285 TYR A OH 1 ATOM 9896 N N . SER B 2 608 ? -14.162 -26.178 56.317 1.00 40.31 ? 1286 SER A N 1 ATOM 9897 C CA . SER B 2 608 ? -14.713 -26.738 55.089 1.00 39.38 ? 1286 SER A CA 1 ATOM 9898 C C . SER B 2 608 ? -14.779 -25.643 54.027 1.00 43.78 ? 1286 SER A C 1 ATOM 9899 O O . SER B 2 608 ? -14.046 -24.651 54.089 1.00 49.17 ? 1286 SER A O 1 ATOM 9900 C CB . SER B 2 608 ? -16.081 -27.375 55.355 1.00 37.95 ? 1286 SER A CB 1 ATOM 9901 O OG . SER B 2 608 ? -16.447 -28.166 54.243 1.00 43.50 ? 1286 SER A OG 1 ATOM 9902 N N . THR B 2 609 ? -15.685 -25.789 53.060 1.00 39.16 ? 1287 THR A N 1 ATOM 9903 C CA . THR B 2 609 ? -15.706 -24.886 51.923 1.00 40.90 ? 1287 THR A CA 1 ATOM 9904 C C . THR B 2 609 ? -16.551 -23.634 52.158 1.00 42.34 ? 1287 THR A C 1 ATOM 9905 O O . THR B 2 609 ? -16.073 -22.510 51.946 1.00 42.46 ? 1287 THR A O 1 ATOM 9906 C CB . THR B 2 609 ? -16.209 -25.639 50.685 1.00 37.28 ? 1287 THR A CB 1 ATOM 9907 O OG1 . THR B 2 609 ? -17.477 -26.243 50.961 1.00 37.31 ? 1287 THR A OG1 1 ATOM 9908 C CG2 . THR B 2 609 ? -15.230 -26.721 50.297 1.00 34.18 ? 1287 THR A CG2 1 ATOM 9909 N N . GLN B 2 610 ? -17.803 -23.808 52.586 1.00 43.12 ? 1288 GLN A N 1 ATOM 9910 C CA . GLN B 2 610 ? -18.704 -22.669 52.746 1.00 45.21 ? 1288 GLN A CA 1 ATOM 9911 C C . GLN B 2 610 ? -18.207 -21.711 53.825 1.00 49.92 ? 1288 GLN A C 1 ATOM 9912 O O . GLN B 2 610 ? -18.156 -20.488 53.618 1.00 62.21 ? 1288 GLN A O 1 ATOM 9913 C CB . GLN B 2 610 ? -20.108 -23.172 53.067 1.00 44.89 ? 1288 GLN A CB 1 ATOM 9914 C CG . GLN B 2 610 ? -20.730 -23.949 51.923 1.00 44.90 ? 1288 GLN A CG 1 ATOM 9915 C CD . GLN B 2 610 ? -20.883 -23.106 50.672 1.00 47.85 ? 1288 GLN A CD 1 ATOM 9916 O OE1 . GLN B 2 610 ? -21.443 -22.008 50.713 1.00 50.96 ? 1288 GLN A OE1 1 ATOM 9917 N NE2 . GLN B 2 610 ? -20.382 -23.613 49.553 1.00 46.32 ? 1288 GLN A NE2 1 ATOM 9918 N N . ASP B 2 611 ? -17.833 -22.248 54.988 1.00 38.68 ? 1289 ASP A N 1 ATOM 9919 C CA . ASP B 2 611 ? -17.292 -21.387 56.032 1.00 40.65 ? 1289 ASP A CA 1 ATOM 9920 C C . ASP B 2 611 ? -16.044 -20.667 55.540 1.00 37.14 ? 1289 ASP A C 1 ATOM 9921 O O . ASP B 2 611 ? -15.830 -19.492 55.855 1.00 35.89 ? 1289 ASP A O 1 ATOM 9922 C CB . ASP B 2 611 ? -17.004 -22.191 57.304 1.00 42.80 ? 1289 ASP A CB 1 ATOM 9923 C CG . ASP B 2 611 ? -16.122 -23.400 57.051 1.00 49.05 ? 1289 ASP A CG 1 ATOM 9924 O OD1 . ASP B 2 611 ? -16.579 -24.338 56.365 1.00 53.97 ? 1289 ASP A OD1 1 ATOM 9925 O OD2 . ASP B 2 611 ? -14.982 -23.425 57.559 1.00 46.36 ? 1289 ASP A OD2 1 ATOM 9926 N N . THR B 2 612 ? -15.232 -21.342 54.722 1.00 33.15 ? 1290 THR A N 1 ATOM 9927 C CA . THR B 2 612 ? -14.032 -20.704 54.191 1.00 35.82 ? 1290 THR A CA 1 ATOM 9928 C C . THR B 2 612 ? -14.378 -19.506 53.315 1.00 43.45 ? 1290 THR A C 1 ATOM 9929 O O . THR B 2 612 ? -13.880 -18.399 53.543 1.00 48.08 ? 1290 THR A O 1 ATOM 9930 C CB . THR B 2 612 ? -13.190 -21.712 53.416 1.00 32.92 ? 1290 THR A CB 1 ATOM 9931 O OG1 . THR B 2 612 ? -12.656 -22.677 54.332 1.00 33.67 ? 1290 THR A OG1 1 ATOM 9932 C CG2 . THR B 2 612 ? -12.051 -21.009 52.700 1.00 27.47 ? 1290 THR A CG2 1 ATOM 9933 N N . ILE B 2 613 ? -15.246 -19.695 52.316 1.00 39.83 ? 1291 ILE A N 1 ATOM 9934 C CA . ILE B 2 613 ? -15.512 -18.588 51.398 1.00 37.62 ? 1291 ILE A CA 1 ATOM 9935 C C . ILE B 2 613 ? -16.183 -17.427 52.131 1.00 40.67 ? 1291 ILE A C 1 ATOM 9936 O O . ILE B 2 613 ? -15.819 -16.257 51.936 1.00 45.14 ? 1291 ILE A O 1 ATOM 9937 C CB . ILE B 2 613 ? -16.333 -19.066 50.182 1.00 36.85 ? 1291 ILE A CB 1 ATOM 9938 C CG1 . ILE B 2 613 ? -16.524 -17.919 49.182 1.00 40.76 ? 1291 ILE A CG1 1 ATOM 9939 C CG2 . ILE B 2 613 ? -17.668 -19.657 50.605 1.00 31.20 ? 1291 ILE A CG2 1 ATOM 9940 C CD1 . ILE B 2 613 ? -17.293 -18.311 47.939 1.00 40.46 ? 1291 ILE A CD1 1 ATOM 9941 N N . ASN B 2 614 ? -17.139 -17.722 53.018 1.00 38.25 ? 1292 ASN A N 1 ATOM 9942 C CA . ASN B 2 614 ? -17.836 -16.622 53.681 1.00 35.87 ? 1292 ASN A CA 1 ATOM 9943 C C . ASN B 2 614 ? -16.947 -15.922 54.708 1.00 35.11 ? 1292 ASN A C 1 ATOM 9944 O O . ASN B 2 614 ? -17.041 -14.699 54.882 1.00 33.84 ? 1292 ASN A O 1 ATOM 9945 C CB . ASN B 2 614 ? -19.129 -17.129 54.310 1.00 36.40 ? 1292 ASN A CB 1 ATOM 9946 C CG . ASN B 2 614 ? -20.176 -17.477 53.264 1.00 38.93 ? 1292 ASN A CG 1 ATOM 9947 O OD1 . ASN B 2 614 ? -20.760 -16.590 52.642 1.00 36.96 ? 1292 ASN A OD1 1 ATOM 9948 N ND2 . ASN B 2 614 ? -20.412 -18.769 53.058 1.00 42.33 ? 1292 ASN A ND2 1 ATOM 9949 N N . ALA B 2 615 ? -16.055 -16.663 55.362 1.00 33.95 ? 1293 ALA A N 1 ATOM 9950 C CA . ALA B 2 615 ? -15.118 -16.038 56.286 1.00 33.86 ? 1293 ALA A CA 1 ATOM 9951 C C . ALA B 2 615 ? -14.084 -15.193 55.547 1.00 35.10 ? 1293 ALA A C 1 ATOM 9952 O O . ALA B 2 615 ? -13.703 -14.116 56.024 1.00 38.80 ? 1293 ALA A O 1 ATOM 9953 C CB . ALA B 2 615 ? -14.434 -17.104 57.137 1.00 36.06 ? 1293 ALA A CB 1 ATOM 9954 N N . ILE B 2 616 ? -13.608 -15.664 54.389 1.00 34.37 ? 1294 ILE A N 1 ATOM 9955 C CA . ILE B 2 616 ? -12.678 -14.862 53.596 1.00 37.21 ? 1294 ILE A CA 1 ATOM 9956 C C . ILE B 2 616 ? -13.348 -13.572 53.144 1.00 39.52 ? 1294 ILE A C 1 ATOM 9957 O O . ILE B 2 616 ? -12.739 -12.495 53.177 1.00 43.02 ? 1294 ILE A O 1 ATOM 9958 C CB . ILE B 2 616 ? -12.142 -15.653 52.385 1.00 34.63 ? 1294 ILE A CB 1 ATOM 9959 C CG1 . ILE B 2 616 ? -11.376 -16.909 52.810 1.00 35.56 ? 1294 ILE A CG1 1 ATOM 9960 C CG2 . ILE B 2 616 ? -11.236 -14.764 51.562 1.00 29.33 ? 1294 ILE A CG2 1 ATOM 9961 C CD1 . ILE B 2 616 ? -10.252 -16.655 53.766 1.00 39.29 ? 1294 ILE A CD1 1 ATOM 9962 N N . GLU B 2 617 ? -14.611 -13.658 52.713 1.00 38.58 ? 1295 GLU A N 1 ATOM 9963 C CA . GLU B 2 617 ? -15.323 -12.445 52.324 1.00 38.33 ? 1295 GLU A CA 1 ATOM 9964 C C . GLU B 2 617 ? -15.500 -11.502 53.510 1.00 42.83 ? 1295 GLU A C 1 ATOM 9965 O O . GLU B 2 617 ? -15.396 -10.281 53.358 1.00 45.63 ? 1295 GLU A O 1 ATOM 9966 C CB . GLU B 2 617 ? -16.676 -12.791 51.702 1.00 36.23 ? 1295 GLU A CB 1 ATOM 9967 C CG . GLU B 2 617 ? -17.467 -11.569 51.262 1.00 39.39 ? 1295 GLU A CG 1 ATOM 9968 C CD . GLU B 2 617 ? -18.600 -11.908 50.314 1.00 44.31 ? 1295 GLU A CD 1 ATOM 9969 O OE1 . GLU B 2 617 ? -18.410 -12.786 49.444 1.00 42.47 ? 1295 GLU A OE1 1 ATOM 9970 O OE2 . GLU B 2 617 ? -19.682 -11.293 50.440 1.00 43.90 ? 1295 GLU A OE2 1 ATOM 9971 N N . GLY B 2 618 ? -15.763 -12.045 54.700 1.00 43.27 ? 1296 GLY A N 1 ATOM 9972 C CA . GLY B 2 618 ? -15.916 -11.185 55.865 1.00 44.61 ? 1296 GLY A CA 1 ATOM 9973 C C . GLY B 2 618 ? -14.628 -10.474 56.240 1.00 41.51 ? 1296 GLY A C 1 ATOM 9974 O O . GLY B 2 618 ? -14.611 -9.256 56.458 1.00 32.42 ? 1296 GLY A O 1 ATOM 9975 N N . LEU B 2 619 ? -13.527 -11.227 56.317 1.00 40.80 ? 1297 LEU A N 1 ATOM 9976 C CA . LEU B 2 619 ? -12.244 -10.622 56.661 1.00 38.15 ? 1297 LEU A CA 1 ATOM 9977 C C . LEU B 2 619 ? -11.822 -9.600 55.616 1.00 41.79 ? 1297 LEU A C 1 ATOM 9978 O O . LEU B 2 619 ? -11.331 -8.517 55.959 1.00 43.41 ? 1297 LEU A O 1 ATOM 9979 C CB . LEU B 2 619 ? -11.173 -11.701 56.810 1.00 40.11 ? 1297 LEU A CB 1 ATOM 9980 C CG . LEU B 2 619 ? -10.913 -12.273 58.204 1.00 44.24 ? 1297 LEU A CG 1 ATOM 9981 C CD1 . LEU B 2 619 ? -12.198 -12.783 58.820 1.00 52.12 ? 1297 LEU A CD1 1 ATOM 9982 C CD2 . LEU B 2 619 ? -9.879 -13.385 58.128 1.00 36.27 ? 1297 LEU A CD2 1 ATOM 9983 N N . THR B 2 620 ? -12.013 -9.923 54.334 1.00 40.22 ? 1298 THR A N 1 ATOM 9984 C CA . THR B 2 620 ? -11.572 -9.021 53.275 1.00 38.85 ? 1298 THR A CA 1 ATOM 9985 C C . THR B 2 620 ? -12.427 -7.762 53.232 1.00 41.22 ? 1298 THR A C 1 ATOM 9986 O O . THR B 2 620 ? -11.905 -6.645 53.128 1.00 44.98 ? 1298 THR A O 1 ATOM 9987 C CB . THR B 2 620 ? -11.612 -9.736 51.925 1.00 37.66 ? 1298 THR A CB 1 ATOM 9988 O OG1 . THR B 2 620 ? -10.768 -10.893 51.973 1.00 39.08 ? 1298 THR A OG1 1 ATOM 9989 C CG2 . THR B 2 620 ? -11.138 -8.804 50.824 1.00 36.17 ? 1298 THR A CG2 1 ATOM 9990 N N . GLU B 2 621 ? -13.749 -7.926 53.297 1.00 41.01 ? 1299 GLU A N 1 ATOM 9991 C CA . GLU B 2 621 ? -14.640 -6.775 53.253 1.00 44.23 ? 1299 GLU A CA 1 ATOM 9992 C C . GLU B 2 621 ? -14.412 -5.868 54.453 1.00 46.31 ? 1299 GLU A C 1 ATOM 9993 O O . GLU B 2 621 ? -14.407 -4.636 54.323 1.00 48.29 ? 1299 GLU A O 1 ATOM 9994 C CB . GLU B 2 621 ? -16.094 -7.242 53.186 1.00 45.32 ? 1299 GLU A CB 1 ATOM 9995 C CG . GLU B 2 621 ? -16.904 -6.528 52.118 1.00 54.57 ? 1299 GLU A CG 1 ATOM 9996 C CD . GLU B 2 621 ? -16.340 -6.736 50.723 1.00 62.26 ? 1299 GLU A CD 1 ATOM 9997 O OE1 . GLU B 2 621 ? -16.060 -7.897 50.359 1.00 70.87 ? 1299 GLU A OE1 1 ATOM 9998 O OE2 . GLU B 2 621 ? -16.167 -5.741 49.991 1.00 65.22 ? 1299 GLU A OE2 1 ATOM 9999 N N . TYR B 2 622 ? -14.197 -6.459 55.629 1.00 46.63 ? 1300 TYR A N 1 ATOM 10000 C CA . TYR B 2 622 ? -13.831 -5.649 56.783 1.00 45.23 ? 1300 TYR A CA 1 ATOM 10001 C C . TYR B 2 622 ? -12.508 -4.931 56.551 1.00 42.27 ? 1300 TYR A C 1 ATOM 10002 O O . TYR B 2 622 ? -12.353 -3.765 56.931 1.00 44.95 ? 1300 TYR A O 1 ATOM 10003 C CB . TYR B 2 622 ? -13.753 -6.520 58.032 1.00 42.37 ? 1300 TYR A CB 1 ATOM 10004 C CG . TYR B 2 622 ? -13.304 -5.780 59.270 1.00 41.14 ? 1300 TYR A CG 1 ATOM 10005 C CD1 . TYR B 2 622 ? -14.218 -5.105 60.067 1.00 39.96 ? 1300 TYR A CD1 1 ATOM 10006 C CD2 . TYR B 2 622 ? -11.968 -5.767 59.651 1.00 42.59 ? 1300 TYR A CD2 1 ATOM 10007 C CE1 . TYR B 2 622 ? -13.815 -4.434 61.207 1.00 40.87 ? 1300 TYR A CE1 1 ATOM 10008 C CE2 . TYR B 2 622 ? -11.554 -5.097 60.789 1.00 41.34 ? 1300 TYR A CE2 1 ATOM 10009 C CZ . TYR B 2 622 ? -12.482 -4.432 61.564 1.00 43.60 ? 1300 TYR A CZ 1 ATOM 10010 O OH . TYR B 2 622 ? -12.075 -3.765 62.701 1.00 42.27 ? 1300 TYR A OH 1 ATOM 10011 N N . SER B 2 623 ? -11.539 -5.611 55.932 1.00 37.54 ? 1301 SER A N 1 ATOM 10012 C CA . SER B 2 623 ? -10.240 -4.990 55.705 1.00 38.44 ? 1301 SER A CA 1 ATOM 10013 C C . SER B 2 623 ? -10.340 -3.828 54.728 1.00 44.50 ? 1301 SER A C 1 ATOM 10014 O O . SER B 2 623 ? -9.553 -2.878 54.812 1.00 50.25 ? 1301 SER A O 1 ATOM 10015 C CB . SER B 2 623 ? -9.237 -6.024 55.196 1.00 41.56 ? 1301 SER A CB 1 ATOM 10016 O OG . SER B 2 623 ? -8.977 -7.016 56.173 1.00 48.51 ? 1301 SER A OG 1 ATOM 10017 N N . LEU B 2 624 ? -11.294 -3.883 53.800 1.00 40.24 ? 1302 LEU A N 1 ATOM 10018 C CA . LEU B 2 624 ? -11.497 -2.782 52.872 1.00 39.32 ? 1302 LEU A CA 1 ATOM 10019 C C . LEU B 2 624 ? -12.368 -1.684 53.460 1.00 47.60 ? 1302 LEU A C 1 ATOM 10020 O O . LEU B 2 624 ? -12.347 -0.556 52.955 1.00 55.07 ? 1302 LEU A O 1 ATOM 10021 C CB . LEU B 2 624 ? -12.129 -3.292 51.577 1.00 37.68 ? 1302 LEU A CB 1 ATOM 10022 C CG . LEU B 2 624 ? -11.303 -4.260 50.736 1.00 42.79 ? 1302 LEU A CG 1 ATOM 10023 C CD1 . LEU B 2 624 ? -12.127 -4.759 49.564 1.00 46.16 ? 1302 LEU A CD1 1 ATOM 10024 C CD2 . LEU B 2 624 ? -10.022 -3.599 50.249 1.00 43.06 ? 1302 LEU A CD2 1 ATOM 10025 N N . LEU B 2 625 ? -13.132 -1.986 54.506 1.00 47.40 ? 1303 LEU A N 1 ATOM 10026 C CA . LEU B 2 625 ? -14.052 -1.007 55.065 1.00 48.50 ? 1303 LEU A CA 1 ATOM 10027 C C . LEU B 2 625 ? -13.405 -0.116 56.119 1.00 56.75 ? 1303 LEU A C 1 ATOM 10028 O O . LEU B 2 625 ? -13.845 1.024 56.305 1.00 55.15 ? 1303 LEU A O 1 ATOM 10029 C CB . LEU B 2 625 ? -15.266 -1.724 55.657 1.00 50.80 ? 1303 LEU A CB 1 ATOM 10030 C CG . LEU B 2 625 ? -16.438 -0.850 56.098 1.00 61.74 ? 1303 LEU A CG 1 ATOM 10031 C CD1 . LEU B 2 625 ? -16.941 -0.005 54.936 1.00 65.07 ? 1303 LEU A CD1 1 ATOM 10032 C CD2 . LEU B 2 625 ? -17.554 -1.713 56.670 1.00 65.04 ? 1303 LEU A CD2 1 ATOM 10033 N N . VAL B 2 626 ? -12.364 -0.594 56.797 1.00 64.34 ? 1304 VAL A N 1 ATOM 10034 C CA . VAL B 2 626 ? -11.722 0.151 57.870 1.00 71.26 ? 1304 VAL A CA 1 ATOM 10035 C C . VAL B 2 626 ? -10.429 0.767 57.348 1.00 73.72 ? 1304 VAL A C 1 ATOM 10036 O O . VAL B 2 626 ? -9.870 0.346 56.332 1.00 74.44 ? 1304 VAL A O 1 ATOM 10037 C CB . VAL B 2 626 ? -11.463 -0.749 59.102 1.00 77.17 ? 1304 VAL A CB 1 ATOM 10038 C CG1 . VAL B 2 626 ? -11.183 0.086 60.349 1.00 83.08 ? 1304 VAL A CG1 1 ATOM 10039 C CG2 . VAL B 2 626 ? -12.650 -1.658 59.339 1.00 78.45 ? 1304 VAL A CG2 1 ATOM 10040 N N . LYS B 2 627 ? -9.951 1.791 58.055 1.00 77.32 ? 1305 LYS A N 1 ATOM 10041 C CA . LYS B 2 627 ? -8.740 2.496 57.654 1.00 82.27 ? 1305 LYS A CA 1 ATOM 10042 C C . LYS B 2 627 ? -7.538 1.561 57.662 1.00 83.21 ? 1305 LYS A C 1 ATOM 10043 O O . LYS B 2 627 ? -7.315 0.822 58.625 1.00 81.11 ? 1305 LYS A O 1 ATOM 10044 C CB . LYS B 2 627 ? -8.483 3.678 58.590 1.00 85.91 ? 1305 LYS A CB 1 ATOM 10045 C CG . LYS B 2 627 ? -9.613 4.693 58.651 1.00 91.09 ? 1305 LYS A CG 1 ATOM 10046 C CD . LYS B 2 627 ? -9.298 5.800 59.648 1.00 94.32 ? 1305 LYS A CD 1 ATOM 10047 C CE . LYS B 2 627 ? -10.408 6.840 59.707 1.00 95.19 ? 1305 LYS A CE 1 ATOM 10048 N NZ . LYS B 2 627 ? -10.096 7.937 60.671 1.00 95.99 ? 1305 LYS A NZ 1 ATOM 10049 N N . GLN B 2 628 ? -6.759 1.604 56.584 1.00 88.97 ? 1306 GLN A N 1 ATOM 10050 C CA . GLN B 2 628 ? -5.531 0.823 56.482 1.00 94.64 ? 1306 GLN A CA 1 ATOM 10051 C C . GLN B 2 628 ? -4.443 1.507 57.301 1.00 91.19 ? 1306 GLN A C 1 ATOM 10052 O O . GLN B 2 628 ? -3.996 2.606 56.959 1.00 91.55 ? 1306 GLN A O 1 ATOM 10053 C CB . GLN B 2 628 ? -5.110 0.674 55.022 1.00 103.38 ? 1306 GLN A CB 1 ATOM 10054 C CG . GLN B 2 628 ? -5.675 -0.561 54.331 1.00 108.07 ? 1306 GLN A CG 1 ATOM 10055 C CD . GLN B 2 628 ? -4.948 -1.842 54.718 1.00 107.13 ? 1306 GLN A CD 1 ATOM 10056 O OE1 . GLN B 2 628 ? -5.471 -2.943 54.542 1.00 106.89 ? 1306 GLN A OE1 1 ATOM 10057 N NE2 . GLN B 2 628 ? -3.733 -1.702 55.238 1.00 107.54 ? 1306 GLN A NE2 1 ATOM 10058 N N . LEU B 2 629 ? -4.018 0.859 58.381 1.00 84.99 ? 1307 LEU A N 1 ATOM 10059 C CA . LEU B 2 629 ? -3.003 1.423 59.257 1.00 80.83 ? 1307 LEU A CA 1 ATOM 10060 C C . LEU B 2 629 ? -1.605 1.123 58.732 1.00 78.29 ? 1307 LEU A C 1 ATOM 10061 O O . LEU B 2 629 ? -1.379 0.128 58.036 1.00 76.57 ? 1307 LEU A O 1 ATOM 10062 C CB . LEU B 2 629 ? -3.146 0.868 60.675 1.00 74.68 ? 1307 LEU A CB 1 ATOM 10063 C CG . LEU B 2 629 ? -4.482 1.075 61.390 1.00 69.66 ? 1307 LEU A CG 1 ATOM 10064 C CD1 . LEU B 2 629 ? -4.458 0.405 62.758 1.00 67.08 ? 1307 LEU A CD1 1 ATOM 10065 C CD2 . LEU B 2 629 ? -4.801 2.556 61.516 1.00 67.31 ? 1307 LEU A CD2 1 ATOM 10066 N N . ARG B 2 630 ? -0.664 2.001 59.069 1.00 78.59 ? 1308 ARG A N 1 ATOM 10067 C CA . ARG B 2 630 ? 0.732 1.746 58.748 1.00 77.99 ? 1308 ARG A CA 1 ATOM 10068 C C . ARG B 2 630 ? 1.226 0.542 59.538 1.00 77.88 ? 1308 ARG A C 1 ATOM 10069 O O . ARG B 2 630 ? 0.811 0.300 60.672 1.00 80.19 ? 1308 ARG A O 1 ATOM 10070 C CB . ARG B 2 630 ? 1.594 2.971 59.056 1.00 81.72 ? 1308 ARG A CB 1 ATOM 10071 C CG . ARG B 2 630 ? 2.981 2.935 58.424 1.00 83.38 ? 1308 ARG A CG 1 ATOM 10072 C CD . ARG B 2 630 ? 3.770 4.194 58.758 1.00 89.95 ? 1308 ARG A CD 1 ATOM 10073 N NE . ARG B 2 630 ? 5.016 4.282 58.000 1.00 93.61 ? 1308 ARG A NE 1 ATOM 10074 C CZ . ARG B 2 630 ? 5.901 5.269 58.117 1.00 95.05 ? 1308 ARG A CZ 1 ATOM 10075 N NH1 . ARG B 2 630 ? 5.687 6.266 58.968 1.00 95.37 ? 1308 ARG A NH1 1 ATOM 10076 N NH2 . ARG B 2 630 ? 7.005 5.260 57.383 1.00 95.18 ? 1308 ARG A NH2 1 ATOM 10077 N N . LEU B 2 631 ? 2.116 -0.224 58.924 1.00 75.29 ? 1309 LEU A N 1 ATOM 10078 C CA . LEU B 2 631 ? 2.578 -1.483 59.486 1.00 71.03 ? 1309 LEU A CA 1 ATOM 10079 C C . LEU B 2 631 ? 4.051 -1.350 59.854 1.00 72.61 ? 1309 LEU A C 1 ATOM 10080 O O . LEU B 2 631 ? 4.890 -1.094 58.984 1.00 76.56 ? 1309 LEU A O 1 ATOM 10081 C CB . LEU B 2 631 ? 2.351 -2.621 58.490 1.00 67.75 ? 1309 LEU A CB 1 ATOM 10082 C CG . LEU B 2 631 ? 2.103 -4.013 59.064 1.00 65.76 ? 1309 LEU A CG 1 ATOM 10083 C CD1 . LEU B 2 631 ? 1.500 -4.921 58.011 1.00 61.61 ? 1309 LEU A CD1 1 ATOM 10084 C CD2 . LEU B 2 631 ? 3.399 -4.591 59.567 1.00 70.25 ? 1309 LEU A CD2 1 ATOM 10085 N N . SER B 2 632 ? 4.361 -1.521 61.144 1.00 69.72 ? 1310 SER A N 1 ATOM 10086 C CA . SER B 2 632 ? 5.745 -1.441 61.616 1.00 70.97 ? 1310 SER A CA 1 ATOM 10087 C C . SER B 2 632 ? 5.811 -2.113 62.988 1.00 66.60 ? 1310 SER A C 1 ATOM 10088 O O . SER B 2 632 ? 5.400 -1.517 63.989 1.00 64.59 ? 1310 SER A O 1 ATOM 10089 C CB . SER B 2 632 ? 6.226 0.002 61.679 1.00 75.85 ? 1310 SER A CB 1 ATOM 10090 O OG . SER B 2 632 ? 7.578 0.082 62.105 1.00 78.63 ? 1310 SER A OG 1 ATOM 10091 N N . MET B 2 633 ? 6.327 -3.342 63.020 1.00 64.69 ? 1311 MET A N 1 ATOM 10092 C CA . MET B 2 633 ? 6.486 -4.097 64.254 1.00 65.24 ? 1311 MET A CA 1 ATOM 10093 C C . MET B 2 633 ? 7.859 -4.748 64.300 1.00 68.76 ? 1311 MET A C 1 ATOM 10094 O O . MET B 2 633 ? 8.452 -5.051 63.265 1.00 70.46 ? 1311 MET A O 1 ATOM 10095 C CB . MET B 2 633 ? 5.425 -5.187 64.397 1.00 61.76 ? 1311 MET A CB 1 ATOM 10096 C CG . MET B 2 633 ? 4.004 -4.687 64.441 1.00 60.39 ? 1311 MET A CG 1 ATOM 10097 S SD . MET B 2 633 ? 2.915 -6.010 64.982 1.00 59.69 ? 1311 MET A SD 1 ATOM 10098 C CE . MET B 2 633 ? 1.349 -5.482 64.301 1.00 58.72 ? 1311 MET A CE 1 ATOM 10099 N N . ASP B 2 634 ? 8.357 -4.965 65.513 1.00 69.59 ? 1312 ASP A N 1 ATOM 10100 C CA . ASP B 2 634 ? 9.547 -5.777 65.752 1.00 72.63 ? 1312 ASP A CA 1 ATOM 10101 C C . ASP B 2 634 ? 9.062 -7.074 66.387 1.00 71.56 ? 1312 ASP A C 1 ATOM 10102 O O . ASP B 2 634 ? 8.850 -7.139 67.601 1.00 76.19 ? 1312 ASP A O 1 ATOM 10103 C CB . ASP B 2 634 ? 10.549 -5.057 66.650 1.00 81.79 ? 1312 ASP A CB 1 ATOM 10104 C CG . ASP B 2 634 ? 11.374 -4.032 65.901 1.00 91.14 ? 1312 ASP A CG 1 ATOM 10105 O OD1 . ASP B 2 634 ? 10.875 -3.478 64.898 1.00 95.04 ? 1312 ASP A OD1 1 ATOM 10106 O OD2 . ASP B 2 634 ? 12.525 -3.779 66.318 1.00 94.47 ? 1312 ASP A OD2 1 ATOM 10107 N N . ILE B 2 635 ? 8.872 -8.103 65.569 1.00 66.37 ? 1313 ILE A N 1 ATOM 10108 C CA . ILE B 2 635 ? 8.272 -9.349 66.031 1.00 60.84 ? 1313 ILE A CA 1 ATOM 10109 C C . ILE B 2 635 ? 9.384 -10.326 66.375 1.00 62.10 ? 1313 ILE A C 1 ATOM 10110 O O . ILE B 2 635 ? 10.155 -10.738 65.499 1.00 67.18 ? 1313 ILE A O 1 ATOM 10111 C CB . ILE B 2 635 ? 7.315 -9.935 64.985 1.00 55.54 ? 1313 ILE A CB 1 ATOM 10112 C CG1 . ILE B 2 635 ? 6.107 -9.013 64.830 1.00 54.68 ? 1313 ILE A CG1 1 ATOM 10113 C CG2 . ILE B 2 635 ? 6.887 -11.334 65.392 1.00 55.20 ? 1313 ILE A CG2 1 ATOM 10114 C CD1 . ILE B 2 635 ? 5.055 -9.536 63.908 1.00 53.38 ? 1313 ILE A CD1 1 ATOM 10115 N N . ASP B 2 636 ? 9.464 -10.697 67.648 1.00 60.60 ? 1314 ASP A N 1 ATOM 10116 C CA . ASP B 2 636 ? 10.481 -11.608 68.154 1.00 63.30 ? 1314 ASP A CA 1 ATOM 10117 C C . ASP B 2 636 ? 9.817 -12.909 68.587 1.00 60.30 ? 1314 ASP A C 1 ATOM 10118 O O . ASP B 2 636 ? 8.918 -12.898 69.435 1.00 62.89 ? 1314 ASP A O 1 ATOM 10119 C CB . ASP B 2 636 ? 11.243 -10.974 69.319 1.00 71.94 ? 1314 ASP A CB 1 ATOM 10120 C CG . ASP B 2 636 ? 12.138 -11.962 70.039 1.00 79.20 ? 1314 ASP A CG 1 ATOM 10121 O OD1 . ASP B 2 636 ? 13.286 -12.168 69.591 1.00 83.44 ? 1314 ASP A OD1 1 ATOM 10122 O OD2 . ASP B 2 636 ? 11.693 -12.528 71.060 1.00 80.86 ? 1314 ASP A OD2 1 ATOM 10123 N N . VAL B 2 637 ? 10.252 -14.021 68.002 1.00 57.13 ? 1315 VAL A N 1 ATOM 10124 C CA . VAL B 2 637 ? 9.817 -15.350 68.413 1.00 58.00 ? 1315 VAL A CA 1 ATOM 10125 C C . VAL B 2 637 ? 10.998 -16.052 69.070 1.00 57.66 ? 1315 VAL A C 1 ATOM 10126 O O . VAL B 2 637 ? 12.102 -16.107 68.504 1.00 55.81 ? 1315 VAL A O 1 ATOM 10127 C CB . VAL B 2 637 ? 9.240 -16.162 67.235 1.00 57.52 ? 1315 VAL A CB 1 ATOM 10128 C CG1 . VAL B 2 637 ? 8.062 -15.429 66.622 1.00 61.48 ? 1315 VAL A CG1 1 ATOM 10129 C CG2 . VAL B 2 637 ? 10.275 -16.426 66.173 1.00 56.15 ? 1315 VAL A CG2 1 ATOM 10130 N N . SER B 2 638 ? 10.773 -16.555 70.283 1.00 59.46 ? 1316 SER A N 1 ATOM 10131 C CA . SER B 2 638 ? 11.832 -17.147 71.085 1.00 62.07 ? 1316 SER A CA 1 ATOM 10132 C C . SER B 2 638 ? 11.241 -18.248 71.947 1.00 62.35 ? 1316 SER A C 1 ATOM 10133 O O . SER B 2 638 ? 10.049 -18.248 72.255 1.00 63.20 ? 1316 SER A O 1 ATOM 10134 C CB . SER B 2 638 ? 12.520 -16.108 71.979 1.00 65.86 ? 1316 SER A CB 1 ATOM 10135 O OG . SER B 2 638 ? 12.957 -14.986 71.231 1.00 72.78 ? 1316 SER A OG 1 ATOM 10136 N N . TYR B 2 639 ? 12.090 -19.187 72.338 1.00 62.76 ? 1317 TYR A N 1 ATOM 10137 C CA . TYR B 2 639 ? 11.671 -20.196 73.292 1.00 61.76 ? 1317 TYR A CA 1 ATOM 10138 C C . TYR B 2 639 ? 11.809 -19.652 74.705 1.00 65.42 ? 1317 TYR A C 1 ATOM 10139 O O . TYR B 2 639 ? 12.614 -18.755 74.972 1.00 70.23 ? 1317 TYR A O 1 ATOM 10140 C CB . TYR B 2 639 ? 12.499 -21.466 73.141 1.00 65.23 ? 1317 TYR A CB 1 ATOM 10141 C CG . TYR B 2 639 ? 12.415 -22.115 71.781 1.00 69.22 ? 1317 TYR A CG 1 ATOM 10142 C CD1 . TYR B 2 639 ? 11.430 -23.051 71.498 1.00 68.80 ? 1317 TYR A CD1 1 ATOM 10143 C CD2 . TYR B 2 639 ? 13.332 -21.805 70.784 1.00 71.69 ? 1317 TYR A CD2 1 ATOM 10144 C CE1 . TYR B 2 639 ? 11.355 -23.655 70.258 1.00 69.17 ? 1317 TYR A CE1 1 ATOM 10145 C CE2 . TYR B 2 639 ? 13.263 -22.402 69.540 1.00 72.16 ? 1317 TYR A CE2 1 ATOM 10146 C CZ . TYR B 2 639 ? 12.273 -23.328 69.284 1.00 71.85 ? 1317 TYR A CZ 1 ATOM 10147 O OH . TYR B 2 639 ? 12.202 -23.926 68.047 1.00 75.04 ? 1317 TYR A OH 1 ATOM 10148 N N . LYS B 2 640 ? 11.009 -20.200 75.616 1.00 64.64 ? 1318 LYS A N 1 ATOM 10149 C CA . LYS B 2 640 ? 11.046 -19.749 77.000 1.00 64.02 ? 1318 LYS A CA 1 ATOM 10150 C C . LYS B 2 640 ? 12.361 -20.154 77.652 1.00 68.16 ? 1318 LYS A C 1 ATOM 10151 O O . LYS B 2 640 ? 13.192 -19.295 77.963 1.00 71.92 ? 1318 LYS A O 1 ATOM 10152 C CB . LYS B 2 640 ? 9.855 -20.302 77.780 1.00 61.13 ? 1318 LYS A CB 1 ATOM 10153 C CG . LYS B 2 640 ? 9.662 -19.637 79.123 1.00 63.23 ? 1318 LYS A CG 1 ATOM 10154 C CD . LYS B 2 640 ? 8.196 -19.576 79.521 1.00 67.11 ? 1318 LYS A CD 1 ATOM 10155 C CE . LYS B 2 640 ? 7.617 -20.956 79.776 1.00 70.53 ? 1318 LYS A CE 1 ATOM 10156 N NZ . LYS B 2 640 ? 6.248 -20.869 80.356 1.00 72.49 ? 1318 LYS A NZ 1 ATOM 10157 N N . HIS B 2 641 ? 12.568 -21.451 77.854 1.00 73.40 ? 1319 HIS A N 1 ATOM 10158 C CA . HIS B 2 641 ? 13.810 -21.946 78.449 1.00 85.10 ? 1319 HIS A CA 1 ATOM 10159 C C . HIS B 2 641 ? 14.736 -22.501 77.368 1.00 93.54 ? 1319 HIS A C 1 ATOM 10160 O O . HIS B 2 641 ? 15.196 -23.642 77.422 1.00 105.91 ? 1319 HIS A O 1 ATOM 10161 C CB . HIS B 2 641 ? 13.512 -23.001 79.510 1.00 88.43 ? 1319 HIS A CB 1 ATOM 10162 C CG . HIS B 2 641 ? 12.196 -22.821 80.196 1.00 91.93 ? 1319 HIS A CG 1 ATOM 10163 N ND1 . HIS B 2 641 ? 11.055 -23.477 79.789 1.00 92.58 ? 1319 HIS A ND1 1 ATOM 10164 C CD2 . HIS B 2 641 ? 11.840 -22.071 81.265 1.00 94.61 ? 1319 HIS A CD2 1 ATOM 10165 C CE1 . HIS B 2 641 ? 10.050 -23.138 80.578 1.00 94.29 ? 1319 HIS A CE1 1 ATOM 10166 N NE2 . HIS B 2 641 ? 10.499 -22.284 81.480 1.00 95.93 ? 1319 HIS A NE2 1 ATOM 10167 N N . LYS B 2 642 ? 15.004 -21.670 76.370 1.00 90.76 ? 1320 LYS A N 1 ATOM 10168 C CA . LYS B 2 642 ? 15.930 -22.023 75.304 1.00 88.26 ? 1320 LYS A CA 1 ATOM 10169 C C . LYS B 2 642 ? 16.321 -20.744 74.583 1.00 91.50 ? 1320 LYS A C 1 ATOM 10170 O O . LYS B 2 642 ? 15.876 -19.647 74.937 1.00 94.10 ? 1320 LYS A O 1 ATOM 10171 C CB . LYS B 2 642 ? 15.320 -23.047 74.345 1.00 81.57 ? 1320 LYS A CB 1 ATOM 10172 C CG . LYS B 2 642 ? 16.298 -24.096 73.863 1.00 80.88 ? 1320 LYS A CG 1 ATOM 10173 C CD . LYS B 2 642 ? 16.239 -25.343 74.731 1.00 79.55 ? 1320 LYS A CD 1 ATOM 10174 C CE . LYS B 2 642 ? 14.882 -26.029 74.624 1.00 74.88 ? 1320 LYS A CE 1 ATOM 10175 N NZ . LYS B 2 642 ? 14.850 -27.344 75.328 1.00 72.71 ? 1320 LYS A NZ 1 ATOM 10176 N N . GLY B 2 643 ? 17.161 -20.891 73.565 1.00 93.72 ? 1321 GLY A N 1 ATOM 10177 C CA . GLY B 2 643 ? 17.640 -19.736 72.840 1.00 91.68 ? 1321 GLY A CA 1 ATOM 10178 C C . GLY B 2 643 ? 16.534 -19.026 72.086 1.00 86.28 ? 1321 GLY A C 1 ATOM 10179 O O . GLY B 2 643 ? 15.438 -19.547 71.877 1.00 85.86 ? 1321 GLY A O 1 ATOM 10180 N N . ALA B 2 644 ? 16.834 -17.798 71.681 1.00 83.02 ? 1322 ALA A N 1 ATOM 10181 C CA . ALA B 2 644 ? 15.907 -17.048 70.850 1.00 82.06 ? 1322 ALA A CA 1 ATOM 10182 C C . ALA B 2 644 ? 15.848 -17.665 69.459 1.00 81.80 ? 1322 ALA A C 1 ATOM 10183 O O . ALA B 2 644 ? 16.883 -17.893 68.825 1.00 82.25 ? 1322 ALA A O 1 ATOM 10184 C CB . ALA B 2 644 ? 16.331 -15.583 70.766 1.00 82.41 ? 1322 ALA A CB 1 ATOM 10185 N N . LEU B 2 645 ? 14.633 -17.948 68.989 1.00 80.65 ? 1323 LEU A N 1 ATOM 10186 C CA . LEU B 2 645 ? 14.462 -18.537 67.668 1.00 79.47 ? 1323 LEU A CA 1 ATOM 10187 C C . LEU B 2 645 ? 14.932 -17.550 66.612 1.00 86.53 ? 1323 LEU A C 1 ATOM 10188 O O . LEU B 2 645 ? 15.994 -17.749 66.012 1.00 89.01 ? 1323 LEU A O 1 ATOM 10189 C CB . LEU B 2 645 ? 13.008 -18.946 67.433 1.00 75.68 ? 1323 LEU A CB 1 ATOM 10190 C CG . LEU B 2 645 ? 12.776 -19.859 66.231 1.00 74.81 ? 1323 LEU A CG 1 ATOM 10191 C CD1 . LEU B 2 645 ? 13.811 -20.969 66.195 1.00 75.08 ? 1323 LEU A CD1 1 ATOM 10192 C CD2 . LEU B 2 645 ? 11.382 -20.445 66.294 1.00 75.34 ? 1323 LEU A CD2 1 ATOM 10193 N N . HIS B 2 646 ? 14.170 -16.482 66.394 1.00 93.14 ? 1324 HIS A N 1 ATOM 10194 C CA . HIS B 2 646 ? 14.612 -15.383 65.537 1.00 99.32 ? 1324 HIS A CA 1 ATOM 10195 C C . HIS B 2 646 ? 13.603 -14.250 65.663 1.00 99.43 ? 1324 HIS A C 1 ATOM 10196 O O . HIS B 2 646 ? 12.598 -14.363 66.368 1.00 97.84 ? 1324 HIS A O 1 ATOM 10197 C CB . HIS B 2 646 ? 14.781 -15.813 64.077 1.00 105.97 ? 1324 HIS A CB 1 ATOM 10198 C CG . HIS B 2 646 ? 13.498 -16.160 63.391 1.00 110.53 ? 1324 HIS A CG 1 ATOM 10199 N ND1 . HIS B 2 646 ? 12.692 -17.199 63.802 1.00 113.15 ? 1324 HIS A ND1 1 ATOM 10200 C CD2 . HIS B 2 646 ? 12.889 -15.613 62.313 1.00 110.56 ? 1324 HIS A CD2 1 ATOM 10201 C CE1 . HIS B 2 646 ? 11.637 -17.272 63.010 1.00 113.20 ? 1324 HIS A CE1 1 ATOM 10202 N NE2 . HIS B 2 646 ? 11.733 -16.323 62.097 1.00 111.07 ? 1324 HIS A NE2 1 ATOM 10203 N N . ASN B 2 647 ? 13.885 -13.150 64.972 1.00 102.56 ? 1325 ASN A N 1 ATOM 10204 C CA . ASN B 2 647 ? 13.014 -11.987 64.996 1.00 103.99 ? 1325 ASN A CA 1 ATOM 10205 C C . ASN B 2 647 ? 13.118 -11.271 63.662 1.00 100.97 ? 1325 ASN A C 1 ATOM 10206 O O . ASN B 2 647 ? 14.169 -11.287 63.016 1.00 100.63 ? 1325 ASN A O 1 ATOM 10207 C CB . ASN B 2 647 ? 13.373 -11.028 66.137 1.00 109.58 ? 1325 ASN A CB 1 ATOM 10208 C CG . ASN B 2 647 ? 14.785 -10.493 66.026 1.00 115.27 ? 1325 ASN A CG 1 ATOM 10209 O OD1 . ASN B 2 647 ? 15.047 -9.549 65.281 1.00 118.26 ? 1325 ASN A OD1 1 ATOM 10210 N ND2 . ASN B 2 647 ? 15.705 -11.093 66.773 1.00 116.29 ? 1325 ASN A ND2 1 ATOM 10211 N N . TYR B 2 648 ? 12.017 -10.643 63.254 1.00 98.46 ? 1326 TYR A N 1 ATOM 10212 C CA . TYR B 2 648 ? 12.001 -9.869 62.023 1.00 93.64 ? 1326 TYR A CA 1 ATOM 10213 C C . TYR B 2 648 ? 11.187 -8.601 62.209 1.00 88.40 ? 1326 TYR A C 1 ATOM 10214 O O . TYR B 2 648 ? 10.213 -8.566 62.971 1.00 86.49 ? 1326 TYR A O 1 ATOM 10215 C CB . TYR B 2 648 ? 11.439 -10.663 60.843 1.00 90.98 ? 1326 TYR A CB 1 ATOM 10216 C CG . TYR B 2 648 ? 10.386 -11.680 61.201 1.00 88.30 ? 1326 TYR A CG 1 ATOM 10217 C CD1 . TYR B 2 648 ? 9.036 -11.351 61.202 1.00 83.98 ? 1326 TYR A CD1 1 ATOM 10218 C CD2 . TYR B 2 648 ? 10.742 -12.983 61.513 1.00 91.76 ? 1326 TYR A CD2 1 ATOM 10219 C CE1 . TYR B 2 648 ? 8.074 -12.297 61.518 1.00 84.04 ? 1326 TYR A CE1 1 ATOM 10220 C CE2 . TYR B 2 648 ? 9.793 -13.928 61.829 1.00 89.16 ? 1326 TYR A CE2 1 ATOM 10221 C CZ . TYR B 2 648 ? 8.464 -13.586 61.831 1.00 84.03 ? 1326 TYR A CZ 1 ATOM 10222 O OH . TYR B 2 648 ? 7.538 -14.550 62.149 1.00 79.82 ? 1326 TYR A OH 1 ATOM 10223 N N . LYS B 2 649 ? 11.605 -7.557 61.496 1.00 86.16 ? 1327 LYS A N 1 ATOM 10224 C CA . LYS B 2 649 ? 10.894 -6.286 61.479 1.00 87.18 ? 1327 LYS A CA 1 ATOM 10225 C C . LYS B 2 649 ? 9.879 -6.332 60.346 1.00 81.77 ? 1327 LYS A C 1 ATOM 10226 O O . LYS B 2 649 ? 10.247 -6.371 59.167 1.00 80.85 ? 1327 LYS A O 1 ATOM 10227 C CB . LYS B 2 649 ? 11.859 -5.113 61.319 1.00 93.26 ? 1327 LYS A CB 1 ATOM 10228 C CG . LYS B 2 649 ? 11.170 -3.747 61.336 1.00 95.10 ? 1327 LYS A CG 1 ATOM 10229 C CD . LYS B 2 649 ? 12.163 -2.595 61.425 1.00 95.82 ? 1327 LYS A CD 1 ATOM 10230 C CE . LYS B 2 649 ? 11.437 -1.262 61.520 1.00 96.31 ? 1327 LYS A CE 1 ATOM 10231 N NZ . LYS B 2 649 ? 10.461 -1.260 62.645 1.00 94.87 ? 1327 LYS A NZ 1 ATOM 10232 N N . MET B 2 650 ? 8.605 -6.338 60.708 1.00 78.83 ? 1328 MET A N 1 ATOM 10233 C CA . MET B 2 650 ? 7.518 -6.408 59.747 1.00 77.42 ? 1328 MET A CA 1 ATOM 10234 C C . MET B 2 650 ? 7.087 -4.995 59.374 1.00 75.27 ? 1328 MET A C 1 ATOM 10235 O O . MET B 2 650 ? 6.761 -4.184 60.250 1.00 73.29 ? 1328 MET A O 1 ATOM 10236 C CB . MET B 2 650 ? 6.356 -7.200 60.338 1.00 76.13 ? 1328 MET A CB 1 ATOM 10237 C CG . MET B 2 650 ? 5.272 -7.528 59.358 1.00 77.72 ? 1328 MET A CG 1 ATOM 10238 S SD . MET B 2 650 ? 4.071 -8.597 60.146 1.00 80.22 ? 1328 MET A SD 1 ATOM 10239 C CE . MET B 2 650 ? 5.034 -10.105 60.236 1.00 81.22 ? 1328 MET A CE 1 ATOM 10240 N N . THR B 2 651 ? 7.103 -4.698 58.078 1.00 75.26 ? 1329 THR A N 1 ATOM 10241 C CA . THR B 2 651 ? 6.673 -3.412 57.547 1.00 76.17 ? 1329 THR A CA 1 ATOM 10242 C C . THR B 2 651 ? 5.790 -3.652 56.331 1.00 73.81 ? 1329 THR A C 1 ATOM 10243 O O . THR B 2 651 ? 5.582 -4.790 55.902 1.00 73.10 ? 1329 THR A O 1 ATOM 10244 C CB . THR B 2 651 ? 7.867 -2.531 57.164 1.00 77.43 ? 1329 THR A CB 1 ATOM 10245 O OG1 . THR B 2 651 ? 8.671 -3.217 56.197 1.00 75.31 ? 1329 THR A OG1 1 ATOM 10246 C CG2 . THR B 2 651 ? 8.709 -2.197 58.389 1.00 79.89 ? 1329 THR A CG2 1 ATOM 10247 N N . ASP B 2 652 ? 5.271 -2.562 55.761 1.00 76.98 ? 1330 ASP A N 1 ATOM 10248 C CA . ASP B 2 652 ? 4.512 -2.684 54.524 1.00 79.92 ? 1330 ASP A CA 1 ATOM 10249 C C . ASP B 2 652 ? 5.384 -3.151 53.370 1.00 82.63 ? 1330 ASP A C 1 ATOM 10250 O O . ASP B 2 652 ? 4.854 -3.615 52.356 1.00 79.62 ? 1330 ASP A O 1 ATOM 10251 C CB . ASP B 2 652 ? 3.847 -1.355 54.171 1.00 82.84 ? 1330 ASP A CB 1 ATOM 10252 C CG . ASP B 2 652 ? 2.833 -0.920 55.207 1.00 87.54 ? 1330 ASP A CG 1 ATOM 10253 O OD1 . ASP B 2 652 ? 1.675 -1.388 55.142 1.00 88.31 ? 1330 ASP A OD1 1 ATOM 10254 O OD2 . ASP B 2 652 ? 3.193 -0.109 56.086 1.00 89.78 ? 1330 ASP A OD2 1 ATOM 10255 N N . LYS B 2 653 ? 6.707 -3.038 53.507 1.00 92.34 ? 1331 LYS A N 1 ATOM 10256 C CA . LYS B 2 653 ? 7.618 -3.531 52.479 1.00 102.97 ? 1331 LYS A CA 1 ATOM 10257 C C . LYS B 2 653 ? 7.531 -5.047 52.368 1.00 103.85 ? 1331 LYS A C 1 ATOM 10258 O O . LYS B 2 653 ? 7.206 -5.590 51.306 1.00 107.69 ? 1331 LYS A O 1 ATOM 10259 C CB . LYS B 2 653 ? 9.050 -3.092 52.794 1.00 112.08 ? 1331 LYS A CB 1 ATOM 10260 C CG . LYS B 2 653 ? 9.169 -1.669 53.326 1.00 120.09 ? 1331 LYS A CG 1 ATOM 10261 C CD . LYS B 2 653 ? 8.624 -0.644 52.342 1.00 124.99 ? 1331 LYS A CD 1 ATOM 10262 C CE . LYS B 2 653 ? 8.585 0.747 52.961 1.00 128.20 ? 1331 LYS A CE 1 ATOM 10263 N NZ . LYS B 2 653 ? 7.747 0.788 54.194 1.00 128.30 ? 1331 LYS A NZ 1 ATOM 10264 N N . ASN B 2 654 ? 7.817 -5.751 53.461 1.00 100.29 ? 1332 ASN A N 1 ATOM 10265 C CA . ASN B 2 654 ? 7.627 -7.193 53.519 1.00 95.81 ? 1332 ASN A CA 1 ATOM 10266 C C . ASN B 2 654 ? 6.817 -7.537 54.760 1.00 86.07 ? 1332 ASN A C 1 ATOM 10267 O O . ASN B 2 654 ? 7.162 -7.128 55.874 1.00 84.56 ? 1332 ASN A O 1 ATOM 10268 C CB . ASN B 2 654 ? 8.967 -7.944 53.511 1.00 97.89 ? 1332 ASN A CB 1 ATOM 10269 C CG . ASN B 2 654 ? 9.677 -7.896 54.846 1.00 96.78 ? 1332 ASN A CG 1 ATOM 10270 O OD1 . ASN B 2 654 ? 10.351 -6.919 55.168 1.00 101.66 ? 1332 ASN A OD1 1 ATOM 10271 N ND2 . ASN B 2 654 ? 9.525 -8.954 55.635 1.00 90.56 ? 1332 ASN A ND2 1 ATOM 10272 N N . PHE B 2 655 ? 5.726 -8.257 54.554 1.00 77.70 ? 1333 PHE A N 1 ATOM 10273 C CA . PHE B 2 655 ? 4.913 -8.739 55.661 1.00 66.83 ? 1333 PHE A CA 1 ATOM 10274 C C . PHE B 2 655 ? 4.291 -10.097 55.381 1.00 64.93 ? 1333 PHE A C 1 ATOM 10275 O O . PHE B 2 655 ? 3.541 -10.590 56.226 1.00 65.90 ? 1333 PHE A O 1 ATOM 10276 C CB . PHE B 2 655 ? 3.818 -7.715 56.005 1.00 62.12 ? 1333 PHE A CB 1 ATOM 10277 C CG . PHE B 2 655 ? 2.898 -7.389 54.862 1.00 59.66 ? 1333 PHE A CG 1 ATOM 10278 C CD1 . PHE B 2 655 ? 3.249 -6.432 53.925 1.00 61.64 ? 1333 PHE A CD1 1 ATOM 10279 C CD2 . PHE B 2 655 ? 1.674 -8.024 54.737 1.00 57.19 ? 1333 PHE A CD2 1 ATOM 10280 C CE1 . PHE B 2 655 ? 2.403 -6.125 52.878 1.00 63.78 ? 1333 PHE A CE1 1 ATOM 10281 C CE2 . PHE B 2 655 ? 0.822 -7.720 53.695 1.00 56.35 ? 1333 PHE A CE2 1 ATOM 10282 C CZ . PHE B 2 655 ? 1.187 -6.770 52.764 1.00 61.77 ? 1333 PHE A CZ 1 ATOM 10283 N N . LEU B 2 656 ? 4.564 -10.711 54.230 1.00 63.77 ? 1334 LEU A N 1 ATOM 10284 C CA . LEU B 2 656 ? 4.156 -12.080 53.923 1.00 62.79 ? 1334 LEU A CA 1 ATOM 10285 C C . LEU B 2 656 ? 5.320 -13.044 54.083 1.00 70.00 ? 1334 LEU A C 1 ATOM 10286 O O . LEU B 2 656 ? 5.544 -13.910 53.230 1.00 72.16 ? 1334 LEU A O 1 ATOM 10287 C CB . LEU B 2 656 ? 3.583 -12.171 52.511 1.00 59.83 ? 1334 LEU A CB 1 ATOM 10288 C CG . LEU B 2 656 ? 2.375 -11.320 52.108 1.00 60.15 ? 1334 LEU A CG 1 ATOM 10289 C CD1 . LEU B 2 656 ? 1.358 -11.227 53.235 1.00 58.87 ? 1334 LEU A CD1 1 ATOM 10290 C CD2 . LEU B 2 656 ? 2.805 -9.939 51.645 1.00 62.73 ? 1334 LEU A CD2 1 ATOM 10291 N N . GLY B 2 657 ? 6.074 -12.905 55.172 1.00 74.53 ? 1335 GLY A N 1 ATOM 10292 C CA . GLY B 2 657 ? 7.291 -13.679 55.327 1.00 78.61 ? 1335 GLY A CA 1 ATOM 10293 C C . GLY B 2 657 ? 7.027 -15.172 55.360 1.00 77.80 ? 1335 GLY A C 1 ATOM 10294 O O . GLY B 2 657 ? 5.948 -15.635 55.734 1.00 75.29 ? 1335 GLY A O 1 ATOM 10295 N N . ARG B 2 658 ? 8.043 -15.931 54.958 1.00 82.31 ? 1336 ARG A N 1 ATOM 10296 C CA . ARG B 2 658 ? 7.930 -17.378 54.915 1.00 87.45 ? 1336 ARG A CA 1 ATOM 10297 C C . ARG B 2 658 ? 7.748 -17.942 56.324 1.00 83.78 ? 1336 ARG A C 1 ATOM 10298 O O . ARG B 2 658 ? 8.197 -17.340 57.305 1.00 87.30 ? 1336 ARG A O 1 ATOM 10299 C CB . ARG B 2 658 ? 9.172 -17.991 54.270 1.00 97.83 ? 1336 ARG A CB 1 ATOM 10300 C CG . ARG B 2 658 ? 9.387 -17.605 52.817 1.00 108.93 ? 1336 ARG A CG 1 ATOM 10301 C CD . ARG B 2 658 ? 10.588 -18.339 52.240 1.00 118.73 ? 1336 ARG A CD 1 ATOM 10302 N NE . ARG B 2 658 ? 10.769 -18.063 50.818 1.00 126.22 ? 1336 ARG A NE 1 ATOM 10303 C CZ . ARG B 2 658 ? 11.686 -18.646 50.052 1.00 128.99 ? 1336 ARG A CZ 1 ATOM 10304 N NH1 . ARG B 2 658 ? 12.513 -19.545 50.570 1.00 129.25 ? 1336 ARG A NH1 1 ATOM 10305 N NH2 . ARG B 2 658 ? 11.776 -18.331 48.767 1.00 129.79 ? 1336 ARG A NH2 1 ATOM 10306 N N . PRO B 2 659 ? 7.091 -19.101 56.453 1.00 76.18 ? 1337 PRO A N 1 ATOM 10307 C CA . PRO B 2 659 ? 6.949 -19.733 57.773 1.00 72.82 ? 1337 PRO A CA 1 ATOM 10308 C C . PRO B 2 659 ? 8.277 -20.194 58.349 1.00 69.77 ? 1337 PRO A C 1 ATOM 10309 O O . PRO B 2 659 ? 9.317 -20.097 57.692 1.00 73.17 ? 1337 PRO A O 1 ATOM 10310 C CB . PRO B 2 659 ? 6.022 -20.925 57.495 1.00 71.28 ? 1337 PRO A CB 1 ATOM 10311 C CG . PRO B 2 659 ? 5.328 -20.585 56.225 1.00 72.00 ? 1337 PRO A CG 1 ATOM 10312 C CD . PRO B 2 659 ? 6.321 -19.811 55.420 1.00 73.55 ? 1337 PRO A CD 1 ATOM 10313 N N . VAL B 2 660 ? 8.256 -20.700 59.578 1.00 68.90 ? 1338 VAL A N 1 ATOM 10314 C CA . VAL B 2 660 ? 9.455 -21.195 60.245 1.00 67.08 ? 1338 VAL A CA 1 ATOM 10315 C C . VAL B 2 660 ? 9.073 -22.416 61.068 1.00 63.96 ? 1338 VAL A C 1 ATOM 10316 O O . VAL B 2 660 ? 8.076 -22.395 61.797 1.00 62.65 ? 1338 VAL A O 1 ATOM 10317 C CB . VAL B 2 660 ? 10.111 -20.117 61.131 1.00 68.67 ? 1338 VAL A CB 1 ATOM 10318 C CG1 . VAL B 2 660 ? 9.077 -19.445 62.021 1.00 69.27 ? 1338 VAL A CG1 1 ATOM 10319 C CG2 . VAL B 2 660 ? 11.221 -20.723 61.971 1.00 70.89 ? 1338 VAL A CG2 1 ATOM 10320 N N . GLU B 2 661 ? 9.850 -23.486 60.937 1.00 65.67 ? 1339 GLU A N 1 ATOM 10321 C CA . GLU B 2 661 ? 9.575 -24.709 61.674 1.00 69.46 ? 1339 GLU A CA 1 ATOM 10322 C C . GLU B 2 661 ? 10.111 -24.587 63.092 1.00 68.18 ? 1339 GLU A C 1 ATOM 10323 O O . GLU B 2 661 ? 11.244 -24.145 63.304 1.00 72.01 ? 1339 GLU A O 1 ATOM 10324 C CB . GLU B 2 661 ? 10.199 -25.912 60.968 1.00 77.01 ? 1339 GLU A CB 1 ATOM 10325 C CG . GLU B 2 661 ? 9.689 -26.122 59.556 1.00 86.86 ? 1339 GLU A CG 1 ATOM 10326 C CD . GLU B 2 661 ? 10.082 -27.471 58.991 1.00 97.14 ? 1339 GLU A CD 1 ATOM 10327 O OE1 . GLU B 2 661 ? 10.430 -28.369 59.787 1.00 102.33 ? 1339 GLU A OE1 1 ATOM 10328 O OE2 . GLU B 2 661 ? 10.043 -27.632 57.753 1.00 101.89 ? 1339 GLU A OE2 1 ATOM 10329 N N . VAL B 2 662 ? 9.293 -24.969 64.063 1.00 62.66 ? 1340 VAL A N 1 ATOM 10330 C CA . VAL B 2 662 ? 9.676 -24.946 65.468 1.00 62.23 ? 1340 VAL A CA 1 ATOM 10331 C C . VAL B 2 662 ? 10.118 -26.362 65.820 1.00 67.44 ? 1340 VAL A C 1 ATOM 10332 O O . VAL B 2 662 ? 9.289 -27.258 66.009 1.00 70.71 ? 1340 VAL A O 1 ATOM 10333 C CB . VAL B 2 662 ? 8.533 -24.457 66.360 1.00 56.05 ? 1340 VAL A CB 1 ATOM 10334 C CG1 . VAL B 2 662 ? 8.962 -24.455 67.813 1.00 56.04 ? 1340 VAL A CG1 1 ATOM 10335 C CG2 . VAL B 2 662 ? 8.108 -23.065 65.936 1.00 51.75 ? 1340 VAL A CG2 1 ATOM 10336 N N . LEU B 2 663 ? 11.433 -26.569 65.898 1.00 67.05 ? 1341 LEU A N 1 ATOM 10337 C CA . LEU B 2 663 ? 11.979 -27.900 66.131 1.00 69.90 ? 1341 LEU A CA 1 ATOM 10338 C C . LEU B 2 663 ? 12.115 -28.228 67.613 1.00 71.26 ? 1341 LEU A C 1 ATOM 10339 O O . LEU B 2 663 ? 11.776 -29.341 68.033 1.00 68.60 ? 1341 LEU A O 1 ATOM 10340 C CB . LEU B 2 663 ? 13.345 -28.044 65.448 1.00 72.62 ? 1341 LEU A CB 1 ATOM 10341 C CG . LEU B 2 663 ? 13.466 -27.937 63.921 1.00 73.41 ? 1341 LEU A CG 1 ATOM 10342 C CD1 . LEU B 2 663 ? 12.266 -28.557 63.205 1.00 70.33 ? 1341 LEU A CD1 1 ATOM 10343 C CD2 . LEU B 2 663 ? 13.688 -26.496 63.479 1.00 75.33 ? 1341 LEU A CD2 1 ATOM 10344 N N . LEU B 2 664 ? 12.600 -27.281 68.414 1.00 72.40 ? 1342 LEU A N 1 ATOM 10345 C CA . LEU B 2 664 ? 12.882 -27.555 69.815 1.00 71.28 ? 1342 LEU A CA 1 ATOM 10346 C C . LEU B 2 664 ? 11.598 -27.810 70.594 1.00 73.52 ? 1342 LEU A C 1 ATOM 10347 O O . LEU B 2 664 ? 10.521 -27.318 70.249 1.00 74.66 ? 1342 LEU A O 1 ATOM 10348 C CB . LEU B 2 664 ? 13.656 -26.395 70.438 1.00 66.67 ? 1342 LEU A CB 1 ATOM 10349 C CG . LEU B 2 664 ? 14.909 -25.984 69.662 1.00 63.00 ? 1342 LEU A CG 1 ATOM 10350 C CD1 . LEU B 2 664 ? 15.637 -24.843 70.354 1.00 60.72 ? 1342 LEU A CD1 1 ATOM 10351 C CD2 . LEU B 2 664 ? 15.833 -27.177 69.472 1.00 61.86 ? 1342 LEU A CD2 1 ATOM 10352 N N . ASN B 2 665 ? 11.727 -28.594 71.663 1.00 76.38 ? 1343 ASN A N 1 ATOM 10353 C CA . ASN B 2 665 ? 10.593 -29.047 72.467 1.00 78.55 ? 1343 ASN A CA 1 ATOM 10354 C C . ASN B 2 665 ? 10.265 -28.101 73.612 1.00 75.48 ? 1343 ASN A C 1 ATOM 10355 O O . ASN B 2 665 ? 9.856 -28.537 74.687 1.00 74.96 ? 1343 ASN A O 1 ATOM 10356 C CB . ASN B 2 665 ? 10.879 -30.451 72.991 1.00 86.14 ? 1343 ASN A CB 1 ATOM 10357 C CG . ASN B 2 665 ? 10.921 -31.492 71.880 1.00 92.29 ? 1343 ASN A CG 1 ATOM 10358 O OD1 . ASN B 2 665 ? 9.984 -32.271 71.712 1.00 97.66 ? 1343 ASN A OD1 1 ATOM 10359 N ND2 . ASN B 2 665 ? 12.004 -31.498 71.106 1.00 94.48 ? 1343 ASN A ND2 1 ATOM 10360 N N . ASP B 2 666 ? 10.418 -26.797 73.402 1.00 74.13 ? 1344 ASP A N 1 ATOM 10361 C CA . ASP B 2 666 ? 10.168 -25.796 74.428 1.00 71.04 ? 1344 ASP A CA 1 ATOM 10362 C C . ASP B 2 666 ? 8.927 -24.983 74.074 1.00 65.44 ? 1344 ASP A C 1 ATOM 10363 O O . ASP B 2 666 ? 8.441 -25.012 72.939 1.00 62.41 ? 1344 ASP A O 1 ATOM 10364 C CB . ASP B 2 666 ? 11.384 -24.871 74.587 1.00 71.42 ? 1344 ASP A CB 1 ATOM 10365 C CG . ASP B 2 666 ? 11.354 -24.090 75.882 1.00 72.09 ? 1344 ASP A CG 1 ATOM 10366 O OD1 . ASP B 2 666 ? 10.688 -24.544 76.835 1.00 72.50 ? 1344 ASP A OD1 1 ATOM 10367 O OD2 . ASP B 2 666 ? 12.000 -23.024 75.946 1.00 73.78 ? 1344 ASP A OD2 1 ATOM 10368 N N . ASP B 2 667 ? 8.409 -24.262 75.066 1.00 64.65 ? 1345 ASP A N 1 ATOM 10369 C CA . ASP B 2 667 ? 7.268 -23.385 74.837 1.00 64.47 ? 1345 ASP A CA 1 ATOM 10370 C C . ASP B 2 667 ? 7.674 -22.196 73.973 1.00 60.82 ? 1345 ASP A C 1 ATOM 10371 O O . ASP B 2 667 ? 8.726 -21.587 74.180 1.00 62.81 ? 1345 ASP A O 1 ATOM 10372 C CB . ASP B 2 667 ? 6.696 -22.887 76.164 1.00 69.88 ? 1345 ASP A CB 1 ATOM 10373 C CG . ASP B 2 667 ? 6.426 -24.010 77.144 1.00 75.41 ? 1345 ASP A CG 1 ATOM 10374 O OD1 . ASP B 2 667 ? 5.375 -24.672 77.018 1.00 75.46 ? 1345 ASP A OD1 1 ATOM 10375 O OD2 . ASP B 2 667 ? 7.263 -24.223 78.046 1.00 79.67 ? 1345 ASP A OD2 1 ATOM 10376 N N . LEU B 2 668 ? 6.827 -21.863 73.006 1.00 57.90 ? 1346 LEU A N 1 ATOM 10377 C CA . LEU B 2 668 ? 7.102 -20.771 72.084 1.00 56.08 ? 1346 LEU A CA 1 ATOM 10378 C C . LEU B 2 668 ? 6.519 -19.467 72.616 1.00 54.66 ? 1346 LEU A C 1 ATOM 10379 O O . LEU B 2 668 ? 5.482 -19.453 73.281 1.00 59.71 ? 1346 LEU A O 1 ATOM 10380 C CB . LEU B 2 668 ? 6.525 -21.079 70.700 1.00 55.46 ? 1346 LEU A CB 1 ATOM 10381 C CG . LEU B 2 668 ? 7.065 -20.244 69.542 1.00 57.47 ? 1346 LEU A CG 1 ATOM 10382 C CD1 . LEU B 2 668 ? 8.558 -20.476 69.385 1.00 59.98 ? 1346 LEU A CD1 1 ATOM 10383 C CD2 . LEU B 2 668 ? 6.327 -20.573 68.253 1.00 58.04 ? 1346 LEU A CD2 1 ATOM 10384 N N . ILE B 2 669 ? 7.202 -18.364 72.327 1.00 50.49 ? 1347 ILE A N 1 ATOM 10385 C CA . ILE B 2 669 ? 6.793 -17.044 72.796 1.00 51.24 ? 1347 ILE A CA 1 ATOM 10386 C C . ILE B 2 669 ? 6.957 -16.061 71.646 1.00 52.92 ? 1347 ILE A C 1 ATOM 10387 O O . ILE B 2 669 ? 8.074 -15.849 71.159 1.00 55.51 ? 1347 ILE A O 1 ATOM 10388 C CB . ILE B 2 669 ? 7.601 -16.577 74.022 1.00 51.23 ? 1347 ILE A CB 1 ATOM 10389 C CG1 . ILE B 2 669 ? 7.294 -17.455 75.233 1.00 54.82 ? 1347 ILE A CG1 1 ATOM 10390 C CG2 . ILE B 2 669 ? 7.295 -15.123 74.354 1.00 44.88 ? 1347 ILE A CG2 1 ATOM 10391 C CD1 . ILE B 2 669 ? 8.093 -17.082 76.449 1.00 59.52 ? 1347 ILE A CD1 1 ATOM 10392 N N . VAL B 2 670 ? 5.849 -15.475 71.206 1.00 52.81 ? 1348 VAL A N 1 ATOM 10393 C CA . VAL B 2 670 ? 5.843 -14.455 70.166 1.00 54.75 ? 1348 VAL A CA 1 ATOM 10394 C C . VAL B 2 670 ? 5.515 -13.131 70.834 1.00 60.42 ? 1348 VAL A C 1 ATOM 10395 O O . VAL B 2 670 ? 4.479 -13.003 71.500 1.00 65.31 ? 1348 VAL A O 1 ATOM 10396 C CB . VAL B 2 670 ? 4.831 -14.782 69.060 1.00 55.53 ? 1348 VAL A CB 1 ATOM 10397 C CG1 . VAL B 2 670 ? 4.921 -13.760 67.936 1.00 57.43 ? 1348 VAL A CG1 1 ATOM 10398 C CG2 . VAL B 2 670 ? 5.062 -16.189 68.542 1.00 55.59 ? 1348 VAL A CG2 1 ATOM 10399 N N . SER B 2 671 ? 6.395 -12.149 70.672 1.00 60.76 ? 1349 SER A N 1 ATOM 10400 C CA . SER B 2 671 ? 6.231 -10.874 71.350 1.00 60.78 ? 1349 SER A CA 1 ATOM 10401 C C . SER B 2 671 ? 6.604 -9.740 70.408 1.00 60.75 ? 1349 SER A C 1 ATOM 10402 O O . SER B 2 671 ? 7.324 -9.929 69.425 1.00 57.57 ? 1349 SER A O 1 ATOM 10403 C CB . SER B 2 671 ? 7.081 -10.805 72.623 1.00 59.59 ? 1349 SER A CB 1 ATOM 10404 O OG . SER B 2 671 ? 8.430 -11.128 72.337 1.00 64.97 ? 1349 SER A OG 1 ATOM 10405 N N . THR B 2 672 ? 6.096 -8.552 70.722 1.00 62.43 ? 1350 THR A N 1 ATOM 10406 C CA . THR B 2 672 ? 6.412 -7.356 69.960 1.00 64.33 ? 1350 THR A CA 1 ATOM 10407 C C . THR B 2 672 ? 6.348 -6.157 70.892 1.00 67.78 ? 1350 THR A C 1 ATOM 10408 O O . THR B 2 672 ? 5.617 -6.164 71.886 1.00 68.19 ? 1350 THR A O 1 ATOM 10409 C CB . THR B 2 672 ? 5.458 -7.165 68.770 1.00 62.61 ? 1350 THR A CB 1 ATOM 10410 O OG1 . THR B 2 672 ? 5.836 -5.995 68.035 1.00 65.28 ? 1350 THR A OG1 1 ATOM 10411 C CG2 . THR B 2 672 ? 4.022 -7.015 69.247 1.00 58.80 ? 1350 THR A CG2 1 ATOM 10412 N N . GLY B 2 673 ? 7.132 -5.133 70.571 1.00 71.10 ? 1351 GLY A N 1 ATOM 10413 C CA . GLY B 2 673 ? 7.155 -3.911 71.352 1.00 74.15 ? 1351 GLY A CA 1 ATOM 10414 C C . GLY B 2 673 ? 6.028 -2.978 70.971 1.00 73.77 ? 1351 GLY A C 1 ATOM 10415 O O . GLY B 2 673 ? 4.939 -3.405 70.573 1.00 74.64 ? 1351 GLY A O 1 ATOM 10416 N N . PHE B 2 674 ? 6.286 -1.682 71.101 1.00 75.61 ? 1352 PHE A N 1 ATOM 10417 C CA . PHE B 2 674 ? 5.358 -0.695 70.576 1.00 78.23 ? 1352 PHE A CA 1 ATOM 10418 C C . PHE B 2 674 ? 5.393 -0.733 69.057 1.00 82.61 ? 1352 PHE A C 1 ATOM 10419 O O . PHE B 2 674 ? 6.463 -0.632 68.446 1.00 85.91 ? 1352 PHE A O 1 ATOM 10420 C CB . PHE B 2 674 ? 5.714 0.698 71.081 1.00 78.29 ? 1352 PHE A CB 1 ATOM 10421 C CG . PHE B 2 674 ? 5.686 0.824 72.572 1.00 80.81 ? 1352 PHE A CG 1 ATOM 10422 C CD1 . PHE B 2 674 ? 4.484 0.800 73.258 1.00 80.29 ? 1352 PHE A CD1 1 ATOM 10423 C CD2 . PHE B 2 674 ? 6.861 0.979 73.289 1.00 86.88 ? 1352 PHE A CD2 1 ATOM 10424 C CE1 . PHE B 2 674 ? 4.454 0.923 74.637 1.00 84.26 ? 1352 PHE A CE1 1 ATOM 10425 C CE2 . PHE B 2 674 ? 6.838 1.105 74.667 1.00 88.96 ? 1352 PHE A CE2 1 ATOM 10426 C CZ . PHE B 2 674 ? 5.633 1.076 75.342 1.00 87.14 ? 1352 PHE A CZ 1 ATOM 10427 N N . GLY B 2 675 ? 4.226 -0.888 68.440 1.00 81.38 ? 1353 GLY A N 1 ATOM 10428 C CA . GLY B 2 675 ? 4.165 -1.056 67.007 1.00 78.54 ? 1353 GLY A CA 1 ATOM 10429 C C . GLY B 2 675 ? 2.943 -0.387 66.417 1.00 73.42 ? 1353 GLY A C 1 ATOM 10430 O O . GLY B 2 675 ? 2.035 0.053 67.124 1.00 72.16 ? 1353 GLY A O 1 ATOM 10431 N N . SER B 2 676 ? 2.951 -0.312 65.094 1.00 70.80 ? 1354 SER A N 1 ATOM 10432 C CA . SER B 2 676 ? 1.810 0.131 64.316 1.00 74.94 ? 1354 SER A CA 1 ATOM 10433 C C . SER B 2 676 ? 1.430 -1.000 63.375 1.00 76.07 ? 1354 SER A C 1 ATOM 10434 O O . SER B 2 676 ? 2.298 -1.567 62.702 1.00 80.02 ? 1354 SER A O 1 ATOM 10435 C CB . SER B 2 676 ? 2.137 1.409 63.541 1.00 82.78 ? 1354 SER A CB 1 ATOM 10436 O OG . SER B 2 676 ? 1.070 1.788 62.690 1.00 91.03 ? 1354 SER A OG 1 ATOM 10437 N N . GLY B 2 677 ? 0.150 -1.347 63.351 1.00 72.13 ? 1355 GLY A N 1 ATOM 10438 C CA . GLY B 2 677 ? -0.342 -2.363 62.453 1.00 68.91 ? 1355 GLY A CA 1 ATOM 10439 C C . GLY B 2 677 ? -1.113 -3.422 63.196 1.00 63.37 ? 1355 GLY A C 1 ATOM 10440 O O . GLY B 2 677 ? -1.483 -3.257 64.363 1.00 65.93 ? 1355 GLY A O 1 ATOM 10441 N N . LEU B 2 678 ? -1.348 -4.545 62.511 1.00 59.91 ? 1356 LEU A N 1 ATOM 10442 C CA . LEU B 2 678 ? -2.177 -5.616 63.059 1.00 56.36 ? 1356 LEU A CA 1 ATOM 10443 C C . LEU B 2 678 ? -1.759 -6.921 62.383 1.00 54.22 ? 1356 LEU A C 1 ATOM 10444 O O . LEU B 2 678 ? -2.192 -7.195 61.263 1.00 59.71 ? 1356 LEU A O 1 ATOM 10445 C CB . LEU B 2 678 ? -3.650 -5.325 62.832 1.00 57.93 ? 1356 LEU A CB 1 ATOM 10446 C CG . LEU B 2 678 ? -4.621 -6.408 63.291 1.00 63.79 ? 1356 LEU A CG 1 ATOM 10447 C CD1 . LEU B 2 678 ? -4.673 -6.441 64.801 1.00 68.87 ? 1356 LEU A CD1 1 ATOM 10448 C CD2 . LEU B 2 678 ? -5.998 -6.164 62.712 1.00 65.76 ? 1356 LEU A CD2 1 ATOM 10449 N N . ALA B 2 679 ? -0.949 -7.720 63.070 1.00 53.86 ? 1357 ALA A N 1 ATOM 10450 C CA . ALA B 2 679 ? -0.401 -8.934 62.478 1.00 52.04 ? 1357 ALA A CA 1 ATOM 10451 C C . ALA B 2 679 ? -1.117 -10.179 62.996 1.00 52.61 ? 1357 ALA A C 1 ATOM 10452 O O . ALA B 2 679 ? -1.826 -10.144 64.002 1.00 54.29 ? 1357 ALA A O 1 ATOM 10453 C CB . ALA B 2 679 ? 1.101 -9.044 62.755 1.00 49.86 ? 1357 ALA A CB 1 ATOM 10454 N N . THR B 2 680 ? -0.936 -11.289 62.282 1.00 50.48 ? 1358 THR A N 1 ATOM 10455 C CA . THR B 2 680 ? -1.524 -12.568 62.663 1.00 44.30 ? 1358 THR A CA 1 ATOM 10456 C C . THR B 2 680 ? -0.424 -13.595 62.875 1.00 48.32 ? 1358 THR A C 1 ATOM 10457 O O . THR B 2 680 ? 0.543 -13.658 62.105 1.00 52.02 ? 1358 THR A O 1 ATOM 10458 C CB . THR B 2 680 ? -2.514 -13.100 61.608 1.00 41.91 ? 1358 THR A CB 1 ATOM 10459 O OG1 . THR B 2 680 ? -1.892 -13.115 60.316 1.00 47.01 ? 1358 THR A OG1 1 ATOM 10460 C CG2 . THR B 2 680 ? -3.778 -12.257 61.566 1.00 36.27 ? 1358 THR A CG2 1 ATOM 10461 N N . VAL B 2 681 ? -0.588 -14.403 63.919 1.00 44.93 ? 1359 VAL A N 1 ATOM 10462 C CA . VAL B 2 681 ? 0.383 -15.416 64.315 1.00 41.96 ? 1359 VAL A CA 1 ATOM 10463 C C . VAL B 2 681 ? -0.365 -16.731 64.464 1.00 43.20 ? 1359 VAL A C 1 ATOM 10464 O O . VAL B 2 681 ? -1.189 -16.878 65.374 1.00 41.39 ? 1359 VAL A O 1 ATOM 10465 C CB . VAL B 2 681 ? 1.099 -15.052 65.620 1.00 39.75 ? 1359 VAL A CB 1 ATOM 10466 C CG1 . VAL B 2 681 ? 2.021 -16.171 66.039 1.00 38.43 ? 1359 VAL A CG1 1 ATOM 10467 C CG2 . VAL B 2 681 ? 1.870 -13.758 65.457 1.00 43.65 ? 1359 VAL A CG2 1 ATOM 10468 N N . HIS B 2 682 ? -0.087 -17.682 63.577 1.00 46.39 ? 1360 HIS A N 1 ATOM 10469 C CA . HIS B 2 682 ? -0.719 -18.992 63.603 1.00 43.66 ? 1360 HIS A CA 1 ATOM 10470 C C . HIS B 2 682 ? 0.346 -20.061 63.794 1.00 43.50 ? 1360 HIS A C 1 ATOM 10471 O O . HIS B 2 682 ? 1.454 -19.954 63.263 1.00 44.73 ? 1360 HIS A O 1 ATOM 10472 C CB . HIS B 2 682 ? -1.519 -19.258 62.317 1.00 45.95 ? 1360 HIS A CB 1 ATOM 10473 C CG . HIS B 2 682 ? -2.634 -18.281 62.085 1.00 58.23 ? 1360 HIS A CG 1 ATOM 10474 N ND1 . HIS B 2 682 ? -3.902 -18.461 62.596 1.00 61.43 ? 1360 HIS A ND1 1 ATOM 10475 C CD2 . HIS B 2 682 ? -2.670 -17.115 61.396 1.00 64.44 ? 1360 HIS A CD2 1 ATOM 10476 C CE1 . HIS B 2 682 ? -4.670 -17.447 62.236 1.00 63.34 ? 1360 HIS A CE1 1 ATOM 10477 N NE2 . HIS B 2 682 ? -3.947 -16.617 61.506 1.00 64.55 ? 1360 HIS A NE2 1 ATOM 10478 N N . VAL B 2 683 ? 0.015 -21.081 64.578 1.00 43.08 ? 1361 VAL A N 1 ATOM 10479 C CA . VAL B 2 683 ? 0.890 -22.224 64.794 1.00 40.70 ? 1361 VAL A CA 1 ATOM 10480 C C . VAL B 2 683 ? 0.098 -23.474 64.463 1.00 45.42 ? 1361 VAL A C 1 ATOM 10481 O O . VAL B 2 683 ? -0.989 -23.688 65.018 1.00 47.53 ? 1361 VAL A O 1 ATOM 10482 C CB . VAL B 2 683 ? 1.424 -22.290 66.233 1.00 43.08 ? 1361 VAL A CB 1 ATOM 10483 C CG1 . VAL B 2 683 ? 2.293 -23.527 66.412 1.00 41.83 ? 1361 VAL A CG1 1 ATOM 10484 C CG2 . VAL B 2 683 ? 2.194 -21.026 66.577 1.00 46.03 ? 1361 VAL A CG2 1 ATOM 10485 N N . THR B 2 684 ? 0.626 -24.286 63.554 1.00 47.02 ? 1362 THR A N 1 ATOM 10486 C CA . THR B 2 684 ? 0.009 -25.550 63.175 1.00 40.09 ? 1362 THR A CA 1 ATOM 10487 C C . THR B 2 684 ? 0.833 -26.676 63.774 1.00 39.65 ? 1362 THR A C 1 ATOM 10488 O O . THR B 2 684 ? 2.023 -26.803 63.477 1.00 46.54 ? 1362 THR A O 1 ATOM 10489 C CB . THR B 2 684 ? -0.076 -25.705 61.656 1.00 40.97 ? 1362 THR A CB 1 ATOM 10490 O OG1 . THR B 2 684 ? -0.977 -24.732 61.115 1.00 45.19 ? 1362 THR A OG1 1 ATOM 10491 C CG2 . THR B 2 684 ? -0.580 -27.093 61.304 1.00 38.64 ? 1362 THR A CG2 1 ATOM 10492 N N . THR B 2 685 ? 0.202 -27.488 64.608 1.00 36.52 ? 1363 THR A N 1 ATOM 10493 C CA . THR B 2 685 ? 0.850 -28.629 65.232 1.00 34.39 ? 1363 THR A CA 1 ATOM 10494 C C . THR B 2 685 ? 0.419 -29.909 64.526 1.00 36.49 ? 1363 THR A C 1 ATOM 10495 O O . THR B 2 685 ? -0.780 -30.163 64.362 1.00 37.30 ? 1363 THR A O 1 ATOM 10496 C CB . THR B 2 685 ? 0.501 -28.692 66.719 1.00 37.77 ? 1363 THR A CB 1 ATOM 10497 O OG1 . THR B 2 685 ? 0.916 -27.472 67.346 1.00 41.84 ? 1363 THR A OG1 1 ATOM 10498 C CG2 . THR B 2 685 ? 1.192 -29.879 67.385 1.00 36.98 ? 1363 THR A CG2 1 ATOM 10499 N N . VAL B 2 686 ? 1.397 -30.701 64.101 1.00 34.72 ? 1364 VAL A N 1 ATOM 10500 C CA . VAL B 2 686 ? 1.168 -32.009 63.503 1.00 37.20 ? 1364 VAL A CA 1 ATOM 10501 C C . VAL B 2 686 ? 1.765 -33.058 64.432 1.00 40.28 ? 1364 VAL A C 1 ATOM 10502 O O . VAL B 2 686 ? 2.965 -33.015 64.742 1.00 48.01 ? 1364 VAL A O 1 ATOM 10503 C CB . VAL B 2 686 ? 1.783 -32.109 62.098 1.00 35.31 ? 1364 VAL A CB 1 ATOM 10504 C CG1 . VAL B 2 686 ? 1.550 -33.493 61.528 1.00 31.24 ? 1364 VAL A CG1 1 ATOM 10505 C CG2 . VAL B 2 686 ? 1.205 -31.038 61.188 1.00 34.22 ? 1364 VAL A CG2 1 ATOM 10506 N N . VAL B 2 687 ? 0.928 -33.993 64.883 1.00 33.51 ? 1365 VAL A N 1 ATOM 10507 C CA . VAL B 2 687 ? 1.379 -35.126 65.678 1.00 35.60 ? 1365 VAL A CA 1 ATOM 10508 C C . VAL B 2 687 ? 0.857 -36.405 65.040 1.00 41.06 ? 1365 VAL A C 1 ATOM 10509 O O . VAL B 2 687 ? -0.007 -36.387 64.164 1.00 43.56 ? 1365 VAL A O 1 ATOM 10510 C CB . VAL B 2 687 ? 0.931 -35.047 67.153 1.00 35.36 ? 1365 VAL A CB 1 ATOM 10511 C CG1 . VAL B 2 687 ? 1.458 -33.785 67.814 1.00 36.56 ? 1365 VAL A CG1 1 ATOM 10512 C CG2 . VAL B 2 687 ? -0.579 -35.126 67.250 1.00 35.94 ? 1365 VAL A CG2 1 ATOM 10513 N N . HIS B 2 688 ? 1.400 -37.528 65.495 1.00 40.49 ? 1366 HIS A N 1 ATOM 10514 C CA . HIS B 2 688 ? 0.950 -38.842 65.069 1.00 40.28 ? 1366 HIS A CA 1 ATOM 10515 C C . HIS B 2 688 ? 0.556 -39.643 66.296 1.00 41.95 ? 1366 HIS A C 1 ATOM 10516 O O . HIS B 2 688 ? 1.341 -39.768 67.242 1.00 43.77 ? 1366 HIS A O 1 ATOM 10517 C CB . HIS B 2 688 ? 2.030 -39.566 64.269 1.00 49.43 ? 1366 HIS A CB 1 ATOM 10518 C CG . HIS B 2 688 ? 2.185 -39.048 62.875 1.00 57.48 ? 1366 HIS A CG 1 ATOM 10519 N ND1 . HIS B 2 688 ? 1.628 -39.677 61.781 1.00 60.29 ? 1366 HIS A ND1 1 ATOM 10520 C CD2 . HIS B 2 688 ? 2.817 -37.950 62.397 1.00 55.49 ? 1366 HIS A CD2 1 ATOM 10521 C CE1 . HIS B 2 688 ? 1.919 -38.994 60.689 1.00 60.03 ? 1366 HIS A CE1 1 ATOM 10522 N NE2 . HIS B 2 688 ? 2.640 -37.942 61.034 1.00 59.16 ? 1366 HIS A NE2 1 ATOM 10523 N N . LYS B 2 689 ? -0.659 -40.170 66.282 1.00 41.56 ? 1367 LYS A N 1 ATOM 10524 C CA . LYS B 2 689 ? -1.215 -40.866 67.426 1.00 44.47 ? 1367 LYS A CA 1 ATOM 10525 C C . LYS B 2 689 ? -1.421 -42.338 67.101 1.00 46.63 ? 1367 LYS A C 1 ATOM 10526 O O . LYS B 2 689 ? -1.615 -42.718 65.941 1.00 48.29 ? 1367 LYS A O 1 ATOM 10527 C CB . LYS B 2 689 ? -2.537 -40.230 67.861 1.00 45.63 ? 1367 LYS A CB 1 ATOM 10528 C CG . LYS B 2 689 ? -2.394 -38.815 68.385 1.00 46.34 ? 1367 LYS A CG 1 ATOM 10529 C CD . LYS B 2 689 ? -3.716 -38.305 68.925 1.00 55.50 ? 1367 LYS A CD 1 ATOM 10530 C CE . LYS B 2 689 ? -3.546 -36.941 69.567 1.00 64.08 ? 1367 LYS A CE 1 ATOM 10531 N NZ . LYS B 2 689 ? -4.800 -36.443 70.195 1.00 68.54 ? 1367 LYS A NZ 1 ATOM 10532 N N . THR B 2 690 ? -1.378 -43.162 68.150 1.00 45.29 ? 1368 THR A N 1 ATOM 10533 C CA . THR B 2 690 ? -1.509 -44.609 68.036 1.00 43.34 ? 1368 THR A CA 1 ATOM 10534 C C . THR B 2 690 ? -2.941 -45.097 68.194 1.00 42.96 ? 1368 THR A C 1 ATOM 10535 O O . THR B 2 690 ? -3.205 -46.279 67.947 1.00 37.84 ? 1368 THR A O 1 ATOM 10536 C CB . THR B 2 690 ? -0.643 -45.303 69.092 1.00 41.98 ? 1368 THR A CB 1 ATOM 10537 O OG1 . THR B 2 690 ? -1.129 -44.966 70.397 1.00 41.43 ? 1368 THR A OG1 1 ATOM 10538 C CG2 . THR B 2 690 ? 0.806 -44.864 68.973 1.00 42.69 ? 1368 THR A CG2 1 ATOM 10539 N N . SER B 2 691 ? -3.861 -44.228 68.607 1.00 45.13 ? 1369 SER A N 1 ATOM 10540 C CA . SER B 2 691 ? -5.219 -44.642 68.915 1.00 44.52 ? 1369 SER A CA 1 ATOM 10541 C C . SER B 2 691 ? -6.211 -43.579 68.473 1.00 47.29 ? 1369 SER A C 1 ATOM 10542 O O . SER B 2 691 ? -5.859 -42.421 68.238 1.00 42.26 ? 1369 SER A O 1 ATOM 10543 C CB . SER B 2 691 ? -5.405 -44.912 70.410 1.00 43.73 ? 1369 SER A CB 1 ATOM 10544 O OG . SER B 2 691 ? -6.754 -45.243 70.669 1.00 47.03 ? 1369 SER A OG 1 ATOM 10545 N N . THR B 2 692 ? -7.474 -43.998 68.384 1.00 55.20 ? 1370 THR A N 1 ATOM 10546 C CA . THR B 2 692 ? -8.576 -43.127 68.000 1.00 56.09 ? 1370 THR A CA 1 ATOM 10547 C C . THR B 2 692 ? -9.769 -43.294 68.932 1.00 59.38 ? 1370 THR A C 1 ATOM 10548 O O . THR B 2 692 ? -10.858 -42.790 68.626 1.00 59.23 ? 1370 THR A O 1 ATOM 10549 C CB . THR B 2 692 ? -9.003 -43.411 66.556 1.00 55.26 ? 1370 THR A CB 1 ATOM 10550 O OG1 . THR B 2 692 ? -7.887 -43.929 65.827 1.00 58.86 ? 1370 THR A OG1 1 ATOM 10551 C CG2 . THR B 2 692 ? -9.448 -42.149 65.885 1.00 61.13 ? 1370 THR A CG2 1 ATOM 10552 N N . SER B 2 693 ? -9.584 -43.987 70.060 1.00 61.91 ? 1371 SER A N 1 ATOM 10553 C CA . SER B 2 693 ? -10.706 -44.352 70.919 1.00 67.10 ? 1371 SER A CA 1 ATOM 10554 C C . SER B 2 693 ? -11.318 -43.131 71.595 1.00 65.72 ? 1371 SER A C 1 ATOM 10555 O O . SER B 2 693 ? -12.544 -43.042 71.732 1.00 67.57 ? 1371 SER A O 1 ATOM 10556 C CB . SER B 2 693 ? -10.253 -45.379 71.961 1.00 73.09 ? 1371 SER A CB 1 ATOM 10557 O OG . SER B 2 693 ? -9.247 -44.859 72.818 1.00 73.96 ? 1371 SER A OG 1 ATOM 10558 N N . GLU B 2 694 ? -10.490 -42.178 72.016 1.00 65.42 ? 1372 GLU A N 1 ATOM 10559 C CA . GLU B 2 694 ? -10.980 -41.002 72.723 1.00 72.06 ? 1372 GLU A CA 1 ATOM 10560 C C . GLU B 2 694 ? -11.540 -39.929 71.795 1.00 69.36 ? 1372 GLU A C 1 ATOM 10561 O O . GLU B 2 694 ? -11.748 -38.796 72.245 1.00 70.08 ? 1372 GLU A O 1 ATOM 10562 C CB . GLU B 2 694 ? -9.868 -40.409 73.587 1.00 83.39 ? 1372 GLU A CB 1 ATOM 10563 C CG . GLU B 2 694 ? -9.382 -41.339 74.680 1.00 93.95 ? 1372 GLU A CG 1 ATOM 10564 C CD . GLU B 2 694 ? -8.551 -40.618 75.717 1.00 106.08 ? 1372 GLU A CD 1 ATOM 10565 O OE1 . GLU B 2 694 ? -8.579 -41.030 76.896 1.00 111.47 ? 1372 GLU A OE1 1 ATOM 10566 O OE2 . GLU B 2 694 ? -7.877 -39.631 75.353 1.00 111.16 ? 1372 GLU A OE2 1 ATOM 10567 N N . GLU B 2 695 ? -11.785 -40.249 70.527 1.00 62.91 ? 1373 GLU A N 1 ATOM 10568 C CA . GLU B 2 695 ? -12.387 -39.319 69.583 1.00 57.00 ? 1373 GLU A CA 1 ATOM 10569 C C . GLU B 2 695 ? -13.854 -39.670 69.381 1.00 57.49 ? 1373 GLU A C 1 ATOM 10570 O O . GLU B 2 695 ? -14.219 -40.847 69.332 1.00 63.01 ? 1373 GLU A O 1 ATOM 10571 C CB . GLU B 2 695 ? -11.657 -39.345 68.239 1.00 53.87 ? 1373 GLU A CB 1 ATOM 10572 C CG . GLU B 2 695 ? -10.228 -38.823 68.275 1.00 55.72 ? 1373 GLU A CG 1 ATOM 10573 C CD . GLU B 2 695 ? -9.534 -38.929 66.923 1.00 55.97 ? 1373 GLU A CD 1 ATOM 10574 O OE1 . GLU B 2 695 ? -8.290 -38.826 66.876 1.00 54.14 ? 1373 GLU A OE1 1 ATOM 10575 O OE2 . GLU B 2 695 ? -10.234 -39.123 65.907 1.00 55.52 ? 1373 GLU A OE2 1 ATOM 10576 N N . VAL B 2 696 ? -14.691 -38.641 69.261 1.00 55.52 ? 1374 VAL A N 1 ATOM 10577 C CA . VAL B 2 696 ? -16.122 -38.853 69.071 1.00 56.53 ? 1374 VAL A CA 1 ATOM 10578 C C . VAL B 2 696 ? -16.367 -39.359 67.656 1.00 54.66 ? 1374 VAL A C 1 ATOM 10579 O O . VAL B 2 696 ? -15.978 -38.712 66.677 1.00 57.12 ? 1374 VAL A O 1 ATOM 10580 C CB . VAL B 2 696 ? -16.908 -37.565 69.341 1.00 59.21 ? 1374 VAL A CB 1 ATOM 10581 C CG1 . VAL B 2 696 ? -18.395 -37.796 69.099 1.00 58.08 ? 1374 VAL A CG1 1 ATOM 10582 C CG2 . VAL B 2 696 ? -16.655 -37.083 70.758 1.00 62.22 ? 1374 VAL A CG2 1 ATOM 10583 N N . CYS B 2 697 ? -17.021 -40.515 67.547 1.00 51.62 ? 1375 CYS A N 1 ATOM 10584 C CA . CYS B 2 697 ? -17.319 -41.143 66.265 1.00 53.19 ? 1375 CYS A CA 1 ATOM 10585 C C . CYS B 2 697 ? -18.779 -40.893 65.907 1.00 53.10 ? 1375 CYS A C 1 ATOM 10586 O O . CYS B 2 697 ? -19.682 -41.347 66.618 1.00 54.50 ? 1375 CYS A O 1 ATOM 10587 C CB . CYS B 2 697 ? -17.018 -42.645 66.298 1.00 57.18 ? 1375 CYS A CB 1 ATOM 10588 S SG . CYS B 2 697 ? -15.403 -43.074 65.559 1.00 76.59 ? 1375 CYS A SG 1 ATOM 10589 N N . SER B 2 698 ? -19.005 -40.172 64.806 1.00 45.39 ? 1376 SER A N 1 ATOM 10590 C CA . SER B 2 698 ? -20.341 -39.951 64.268 1.00 40.90 ? 1376 SER A CA 1 ATOM 10591 C C . SER B 2 698 ? -20.726 -40.974 63.205 1.00 39.74 ? 1376 SER A C 1 ATOM 10592 O O . SER B 2 698 ? -21.716 -40.768 62.493 1.00 37.78 ? 1376 SER A O 1 ATOM 10593 C CB . SER B 2 698 ? -20.455 -38.542 63.682 1.00 40.57 ? 1376 SER A CB 1 ATOM 10594 O OG . SER B 2 698 ? -20.061 -37.558 64.617 1.00 38.87 ? 1376 SER A OG 1 ATOM 10595 N N . PHE B 2 699 ? -19.965 -42.061 63.078 1.00 40.50 ? 1377 PHE A N 1 ATOM 10596 C CA . PHE B 2 699 ? -20.258 -43.122 62.124 1.00 45.84 ? 1377 PHE A CA 1 ATOM 10597 C C . PHE B 2 699 ? -19.864 -44.454 62.736 1.00 45.50 ? 1377 PHE A C 1 ATOM 10598 O O . PHE B 2 699 ? -18.808 -44.560 63.360 1.00 50.20 ? 1377 PHE A O 1 ATOM 10599 C CB . PHE B 2 699 ? -19.493 -42.952 60.803 1.00 42.12 ? 1377 PHE A CB 1 ATOM 10600 C CG . PHE B 2 699 ? -19.951 -41.799 59.964 1.00 38.51 ? 1377 PHE A CG 1 ATOM 10601 C CD1 . PHE B 2 699 ? -20.951 -41.968 59.020 1.00 40.08 ? 1377 PHE A CD1 1 ATOM 10602 C CD2 . PHE B 2 699 ? -19.351 -40.557 60.082 1.00 38.46 ? 1377 PHE A CD2 1 ATOM 10603 C CE1 . PHE B 2 699 ? -21.363 -40.914 58.225 1.00 35.92 ? 1377 PHE A CE1 1 ATOM 10604 C CE2 . PHE B 2 699 ? -19.756 -39.500 59.289 1.00 40.68 ? 1377 PHE A CE2 1 ATOM 10605 C CZ . PHE B 2 699 ? -20.766 -39.679 58.361 1.00 35.92 ? 1377 PHE A CZ 1 ATOM 10606 N N . TYR B 2 700 ? -20.708 -45.464 62.551 1.00 44.37 ? 1378 TYR A N 1 ATOM 10607 C CA . TYR B 2 700 ? -20.290 -46.837 62.785 1.00 44.10 ? 1378 TYR A CA 1 ATOM 10608 C C . TYR B 2 700 ? -19.493 -47.313 61.578 1.00 45.56 ? 1378 TYR A C 1 ATOM 10609 O O . TYR B 2 700 ? -19.953 -47.202 60.437 1.00 46.82 ? 1378 TYR A O 1 ATOM 10610 C CB . TYR B 2 700 ? -21.495 -47.750 63.017 1.00 44.71 ? 1378 TYR A CB 1 ATOM 10611 C CG . TYR B 2 700 ? -22.334 -47.402 64.227 1.00 53.11 ? 1378 TYR A CG 1 ATOM 10612 C CD1 . TYR B 2 700 ? -21.850 -47.598 65.513 1.00 55.33 ? 1378 TYR A CD1 1 ATOM 10613 C CD2 . TYR B 2 700 ? -23.622 -46.900 64.084 1.00 56.96 ? 1378 TYR A CD2 1 ATOM 10614 C CE1 . TYR B 2 700 ? -22.618 -47.289 66.621 1.00 58.99 ? 1378 TYR A CE1 1 ATOM 10615 C CE2 . TYR B 2 700 ? -24.398 -46.591 65.188 1.00 58.68 ? 1378 TYR A CE2 1 ATOM 10616 C CZ . TYR B 2 700 ? -23.890 -46.785 66.454 1.00 60.40 ? 1378 TYR A CZ 1 ATOM 10617 O OH . TYR B 2 700 ? -24.658 -46.478 67.557 1.00 60.82 ? 1378 TYR A OH 1 ATOM 10618 N N . LEU B 2 701 ? -18.293 -47.828 61.829 1.00 41.18 ? 1379 LEU A N 1 ATOM 10619 C CA . LEU B 2 701 ? -17.401 -48.296 60.782 1.00 37.39 ? 1379 LEU A CA 1 ATOM 10620 C C . LEU B 2 701 ? -17.105 -49.778 60.961 1.00 43.69 ? 1379 LEU A C 1 ATOM 10621 O O . LEU B 2 701 ? -17.027 -50.281 62.086 1.00 45.80 ? 1379 LEU A O 1 ATOM 10622 C CB . LEU B 2 701 ? -16.079 -47.524 60.792 1.00 36.97 ? 1379 LEU A CB 1 ATOM 10623 C CG . LEU B 2 701 ? -16.134 -46.034 60.491 1.00 39.91 ? 1379 LEU A CG 1 ATOM 10624 C CD1 . LEU B 2 701 ? -14.733 -45.468 60.541 1.00 35.15 ? 1379 LEU A CD1 1 ATOM 10625 C CD2 . LEU B 2 701 ? -16.762 -45.801 59.132 1.00 40.22 ? 1379 LEU A CD2 1 ATOM 10626 N N . LYS B 2 702 ? -16.938 -50.475 59.841 1.00 44.21 ? 1380 LYS A N 1 ATOM 10627 C CA . LYS B 2 702 ? -16.365 -51.814 59.884 1.00 47.05 ? 1380 LYS A CA 1 ATOM 10628 C C . LYS B 2 702 ? -15.714 -52.077 58.540 1.00 53.35 ? 1380 LYS A C 1 ATOM 10629 O O . LYS B 2 702 ? -16.239 -51.660 57.511 1.00 56.54 ? 1380 LYS A O 1 ATOM 10630 C CB . LYS B 2 702 ? -17.417 -52.884 60.205 1.00 46.68 ? 1380 LYS A CB 1 ATOM 10631 C CG . LYS B 2 702 ? -18.614 -52.909 59.274 1.00 48.66 ? 1380 LYS A CG 1 ATOM 10632 C CD . LYS B 2 702 ? -19.598 -53.990 59.692 1.00 50.72 ? 1380 LYS A CD 1 ATOM 10633 C CE . LYS B 2 702 ? -20.797 -54.041 58.763 1.00 53.16 ? 1380 LYS A CE 1 ATOM 10634 N NZ . LYS B 2 702 ? -21.776 -55.070 59.210 1.00 54.55 ? 1380 LYS A NZ 1 ATOM 10635 N N . ILE B 2 703 ? -14.563 -52.743 58.551 1.00 55.07 ? 1381 ILE A N 1 ATOM 10636 C CA . ILE B 2 703 ? -13.821 -52.970 57.315 1.00 54.60 ? 1381 ILE A CA 1 ATOM 10637 C C . ILE B 2 703 ? -13.095 -54.304 57.419 1.00 52.57 ? 1381 ILE A C 1 ATOM 10638 O O . ILE B 2 703 ? -12.512 -54.630 58.457 1.00 51.24 ? 1381 ILE A O 1 ATOM 10639 C CB . ILE B 2 703 ? -12.855 -51.799 57.027 1.00 51.59 ? 1381 ILE A CB 1 ATOM 10640 C CG1 . ILE B 2 703 ? -12.069 -52.043 55.739 1.00 50.77 ? 1381 ILE A CG1 1 ATOM 10641 C CG2 . ILE B 2 703 ? -11.929 -51.562 58.208 1.00 46.06 ? 1381 ILE A CG2 1 ATOM 10642 C CD1 . ILE B 2 703 ? -11.200 -50.873 55.343 1.00 50.43 ? 1381 ILE A CD1 1 ATOM 10643 N N . ASP B 2 704 ? -13.146 -55.083 56.341 1.00 55.17 ? 1382 ASP A N 1 ATOM 10644 C CA . ASP B 2 704 ? -12.545 -56.409 56.324 1.00 59.53 ? 1382 ASP A CA 1 ATOM 10645 C C . ASP B 2 704 ? -11.957 -56.693 54.952 1.00 56.84 ? 1382 ASP A C 1 ATOM 10646 O O . ASP B 2 704 ? -12.317 -56.066 53.953 1.00 55.69 ? 1382 ASP A O 1 ATOM 10647 C CB . ASP B 2 704 ? -13.562 -57.503 56.671 1.00 67.54 ? 1382 ASP A CB 1 ATOM 10648 C CG . ASP B 2 704 ? -14.037 -57.419 58.097 1.00 79.15 ? 1382 ASP A CG 1 ATOM 10649 O OD1 . ASP B 2 704 ? -13.438 -58.095 58.959 1.00 86.42 ? 1382 ASP A OD1 1 ATOM 10650 O OD2 . ASP B 2 704 ? -15.006 -56.675 58.358 1.00 82.13 ? 1382 ASP A OD2 1 ATOM 10651 N N . THR B 2 705 ? -11.043 -57.655 54.918 1.00 57.72 ? 1383 THR A N 1 ATOM 10652 C CA . THR B 2 705 ? -10.518 -58.212 53.682 1.00 58.66 ? 1383 THR A CA 1 ATOM 10653 C C . THR B 2 705 ? -10.997 -59.652 53.561 1.00 61.27 ? 1383 THR A C 1 ATOM 10654 O O . THR B 2 705 ? -10.986 -60.403 54.541 1.00 66.93 ? 1383 THR A O 1 ATOM 10655 C CB . THR B 2 705 ? -8.987 -58.162 53.648 1.00 61.07 ? 1383 THR A CB 1 ATOM 10656 O OG1 . THR B 2 705 ? -8.461 -58.907 54.752 1.00 71.76 ? 1383 THR A OG1 1 ATOM 10657 C CG2 . THR B 2 705 ? -8.490 -56.724 53.732 1.00 51.43 ? 1383 THR A CG2 1 ATOM 10658 N N . GLN B 2 706 ? -11.429 -60.032 52.365 1.00 61.50 ? 1384 GLN A N 1 ATOM 10659 C CA . GLN B 2 706 ? -11.996 -61.348 52.130 1.00 66.71 ? 1384 GLN A CA 1 ATOM 10660 C C . GLN B 2 706 ? -11.267 -62.030 50.985 1.00 71.46 ? 1384 GLN A C 1 ATOM 10661 O O . GLN B 2 706 ? -10.577 -61.391 50.186 1.00 75.00 ? 1384 GLN A O 1 ATOM 10662 C CB . GLN B 2 706 ? -13.493 -61.273 51.799 1.00 67.20 ? 1384 GLN A CB 1 ATOM 10663 C CG . GLN B 2 706 ? -14.334 -60.555 52.834 1.00 69.16 ? 1384 GLN A CG 1 ATOM 10664 C CD . GLN B 2 706 ? -15.769 -60.372 52.379 1.00 72.29 ? 1384 GLN A CD 1 ATOM 10665 O OE1 . GLN B 2 706 ? -16.096 -60.585 51.210 1.00 67.98 ? 1384 GLN A OE1 1 ATOM 10666 N NE2 . GLN B 2 706 ? -16.634 -59.976 53.305 1.00 76.17 ? 1384 GLN A NE2 1 ATOM 10667 N N . ASP B 2 707 ? -11.428 -63.345 50.918 1.00 74.18 ? 1385 ASP A N 1 ATOM 10668 C CA . ASP B 2 707 ? -11.048 -64.098 49.737 1.00 80.29 ? 1385 ASP A CA 1 ATOM 10669 C C . ASP B 2 707 ? -12.274 -64.243 48.848 1.00 82.35 ? 1385 ASP A C 1 ATOM 10670 O O . ASP B 2 707 ? -13.384 -64.472 49.336 1.00 81.79 ? 1385 ASP A O 1 ATOM 10671 C CB . ASP B 2 707 ? -10.490 -65.471 50.117 1.00 85.93 ? 1385 ASP A CB 1 ATOM 10672 C CG . ASP B 2 707 ? -9.226 -65.378 50.953 1.00 87.54 ? 1385 ASP A CG 1 ATOM 10673 O OD1 . ASP B 2 707 ? -8.419 -64.452 50.718 1.00 86.81 ? 1385 ASP A OD1 1 ATOM 10674 O OD2 . ASP B 2 707 ? -9.039 -66.233 51.845 1.00 88.41 ? 1385 ASP A OD2 1 ATOM 10675 N N . ILE B 2 708 ? -12.075 -64.084 47.543 1.00 86.01 ? 1386 ILE A N 1 ATOM 10676 C CA . ILE B 2 708 ? -13.184 -64.096 46.601 1.00 92.68 ? 1386 ILE A CA 1 ATOM 10677 C C . ILE B 2 708 ? -13.048 -65.304 45.680 1.00 97.42 ? 1386 ILE A C 1 ATOM 10678 O O . ILE B 2 708 ? -11.976 -65.901 45.546 1.00 98.02 ? 1386 ILE A O 1 ATOM 10679 C CB . ILE B 2 708 ? -13.263 -62.783 45.794 1.00 94.16 ? 1386 ILE A CB 1 ATOM 10680 C CG1 . ILE B 2 708 ? -14.708 -62.510 45.371 1.00 96.21 ? 1386 ILE A CG1 1 ATOM 10681 C CG2 . ILE B 2 708 ? -12.312 -62.819 44.601 1.00 93.30 ? 1386 ILE A CG2 1 ATOM 10682 C CD1 . ILE B 2 708 ? -15.681 -62.476 46.537 1.00 96.62 ? 1386 ILE A CD1 1 ATOM 10683 N N . GLU B 2 709 ? -14.164 -65.666 45.047 1.00 103.86 ? 1387 GLU A N 1 ATOM 10684 C CA . GLU B 2 709 ? -14.223 -66.840 44.181 1.00 111.88 ? 1387 GLU A CA 1 ATOM 10685 C C . GLU B 2 709 ? -13.967 -66.480 42.721 1.00 115.64 ? 1387 GLU A C 1 ATOM 10686 O O . GLU B 2 709 ? -12.839 -66.603 42.231 1.00 121.17 ? 1387 GLU A O 1 ATOM 10687 C CB . GLU B 2 709 ? -15.584 -67.524 44.316 1.00 113.96 ? 1387 GLU A CB 1 ATOM 10688 C CG . GLU B 2 709 ? -16.051 -67.685 45.751 1.00 116.22 ? 1387 GLU A CG 1 ATOM 10689 C CD . GLU B 2 709 ? -17.557 -67.801 45.862 1.00 119.44 ? 1387 GLU A CD 1 ATOM 10690 O OE1 . GLU B 2 709 ? -18.093 -67.560 46.964 1.00 120.09 ? 1387 GLU A OE1 1 ATOM 10691 O OE2 . GLU B 2 709 ? -18.206 -68.125 44.845 1.00 120.71 ? 1387 GLU A OE2 1 ATOM 10692 N N . ALA B 2 710 ? -15.011 -66.051 42.018 1.00 115.14 ? 1388 ALA A N 1 ATOM 10693 C CA . ALA B 2 710 ? -14.899 -65.672 40.614 1.00 112.71 ? 1388 ALA A CA 1 ATOM 10694 C C . ALA B 2 710 ? -15.983 -64.662 40.243 1.00 112.35 ? 1388 ALA A C 1 ATOM 10695 O O . ALA B 2 710 ? -16.060 -64.206 39.103 1.00 111.32 ? 1388 ALA A O 1 ATOM 10696 C CB . ALA B 2 710 ? -14.988 -66.899 39.723 1.00 111.58 ? 1388 ALA A CB 1 ATOM 10697 N N . LYS B 2 722 ? -8.082 -61.449 47.031 1.00 69.47 ? 1400 LYS A N 1 ATOM 10698 C CA . LYS B 2 722 ? -8.391 -60.559 48.148 1.00 67.14 ? 1400 LYS A CA 1 ATOM 10699 C C . LYS B 2 722 ? -9.225 -59.346 47.721 1.00 65.65 ? 1400 LYS A C 1 ATOM 10700 O O . LYS B 2 722 ? -8.959 -58.722 46.690 1.00 62.00 ? 1400 LYS A O 1 ATOM 10701 C CB . LYS B 2 722 ? -7.100 -60.086 48.826 1.00 64.94 ? 1400 LYS A CB 1 ATOM 10702 C CG . LYS B 2 722 ? -6.566 -61.029 49.900 1.00 68.14 ? 1400 LYS A CG 1 ATOM 10703 C CD . LYS B 2 722 ? -5.326 -60.455 50.580 1.00 69.46 ? 1400 LYS A CD 1 ATOM 10704 C CE . LYS B 2 722 ? -4.936 -61.262 51.814 1.00 69.43 ? 1400 LYS A CE 1 ATOM 10705 N NZ . LYS B 2 722 ? -5.945 -61.172 52.912 1.00 70.15 ? 1400 LYS A NZ 1 ATOM 10706 N N . ARG B 2 723 ? -10.223 -59.012 48.541 1.00 62.52 ? 1401 ARG A N 1 ATOM 10707 C CA . ARG B 2 723 ? -11.124 -57.898 48.281 1.00 57.10 ? 1401 ARG A CA 1 ATOM 10708 C C . ARG B 2 723 ? -11.396 -57.144 49.577 1.00 55.18 ? 1401 ARG A C 1 ATOM 10709 O O . ARG B 2 723 ? -11.589 -57.758 50.628 1.00 54.90 ? 1401 ARG A O 1 ATOM 10710 C CB . ARG B 2 723 ? -12.440 -58.397 47.675 1.00 55.18 ? 1401 ARG A CB 1 ATOM 10711 C CG . ARG B 2 723 ? -13.376 -57.298 47.246 1.00 57.83 ? 1401 ARG A CG 1 ATOM 10712 C CD . ARG B 2 723 ? -14.693 -57.859 46.742 1.00 60.01 ? 1401 ARG A CD 1 ATOM 10713 N NE . ARG B 2 723 ? -15.427 -58.555 47.792 1.00 56.33 ? 1401 ARG A NE 1 ATOM 10714 C CZ . ARG B 2 723 ? -16.737 -58.781 47.761 1.00 54.19 ? 1401 ARG A CZ 1 ATOM 10715 N NH1 . ARG B 2 723 ? -17.463 -58.360 46.734 1.00 45.62 ? 1401 ARG A NH1 1 ATOM 10716 N NH2 . ARG B 2 723 ? -17.323 -59.422 48.763 1.00 60.56 ? 1401 ARG A NH2 1 ATOM 10717 N N . ILE B 2 724 ? -11.416 -55.815 49.504 1.00 49.71 ? 1402 ILE A N 1 ATOM 10718 C CA . ILE B 2 724 ? -11.717 -54.984 50.667 1.00 46.30 ? 1402 ILE A CA 1 ATOM 10719 C C . ILE B 2 724 ? -13.200 -54.646 50.669 1.00 48.79 ? 1402 ILE A C 1 ATOM 10720 O O . ILE B 2 724 ? -13.763 -54.250 49.638 1.00 53.43 ? 1402 ILE A O 1 ATOM 10721 C CB . ILE B 2 724 ? -10.863 -53.705 50.679 1.00 42.31 ? 1402 ILE A CB 1 ATOM 10722 C CG1 . ILE B 2 724 ? -9.448 -54.007 51.160 1.00 43.01 ? 1402 ILE A CG1 1 ATOM 10723 C CG2 . ILE B 2 724 ? -11.480 -52.651 51.584 1.00 38.81 ? 1402 ILE A CG2 1 ATOM 10724 C CD1 . ILE B 2 724 ? -8.602 -52.773 51.295 1.00 44.44 ? 1402 ILE A CD1 1 ATOM 10725 N N . VAL B 2 725 ? -13.831 -54.815 51.831 1.00 46.74 ? 1403 VAL A N 1 ATOM 10726 C CA . VAL B 2 725 ? -15.220 -54.443 52.066 1.00 46.11 ? 1403 VAL A CA 1 ATOM 10727 C C . VAL B 2 725 ? -15.228 -53.452 53.220 1.00 50.39 ? 1403 VAL A C 1 ATOM 10728 O O . VAL B 2 725 ? -14.912 -53.815 54.362 1.00 53.00 ? 1403 VAL A O 1 ATOM 10729 C CB . VAL B 2 725 ? -16.100 -55.656 52.388 1.00 42.14 ? 1403 VAL A CB 1 ATOM 10730 C CG1 . VAL B 2 725 ? -17.518 -55.202 52.683 1.00 40.06 ? 1403 VAL A CG1 1 ATOM 10731 C CG2 . VAL B 2 725 ? -16.072 -56.656 51.243 1.00 42.80 ? 1403 VAL A CG2 1 ATOM 10732 N N . ALA B 2 726 ? -15.585 -52.203 52.928 1.00 50.70 ? 1404 ALA A N 1 ATOM 10733 C CA . ALA B 2 726 ? -15.571 -51.126 53.908 1.00 51.64 ? 1404 ALA A CA 1 ATOM 10734 C C . ALA B 2 726 ? -16.976 -50.558 54.038 1.00 55.04 ? 1404 ALA A C 1 ATOM 10735 O O . ALA B 2 726 ? -17.511 -49.991 53.082 1.00 56.20 ? 1404 ALA A O 1 ATOM 10736 C CB . ALA B 2 726 ? -14.580 -50.034 53.506 1.00 49.96 ? 1404 ALA A CB 1 ATOM 10737 N N . CYS B 2 727 ? -17.561 -50.702 55.220 1.00 54.20 ? 1405 CYS A N 1 ATOM 10738 C CA . CYS B 2 727 ? -18.925 -50.284 55.496 1.00 53.11 ? 1405 CYS A CA 1 ATOM 10739 C C . CYS B 2 727 ? -18.942 -49.153 56.512 1.00 47.66 ? 1405 CYS A C 1 ATOM 10740 O O . CYS B 2 727 ? -18.170 -49.154 57.481 1.00 50.19 ? 1405 CYS A O 1 ATOM 10741 C CB . CYS B 2 727 ? -19.756 -51.450 56.030 1.00 60.93 ? 1405 CYS A CB 1 ATOM 10742 S SG . CYS B 2 727 ? -19.662 -52.946 55.039 1.00 71.02 ? 1405 CYS A SG 1 ATOM 10743 N N . ALA B 2 728 ? -19.847 -48.205 56.294 1.00 42.72 ? 1406 ALA A N 1 ATOM 10744 C CA . ALA B 2 728 ? -20.099 -47.120 57.223 1.00 41.01 ? 1406 ALA A CA 1 ATOM 10745 C C . ALA B 2 728 ? -21.601 -46.942 57.393 1.00 44.82 ? 1406 ALA A C 1 ATOM 10746 O O . ALA B 2 728 ? -22.395 -47.327 56.529 1.00 44.43 ? 1406 ALA A O 1 ATOM 10747 C CB . ALA B 2 728 ? -19.470 -45.807 56.747 1.00 40.50 ? 1406 ALA A CB 1 ATOM 10748 N N . SER B 2 729 ? -21.979 -46.351 58.528 1.00 43.71 ? 1407 SER A N 1 ATOM 10749 C CA . SER B 2 729 ? -23.366 -45.998 58.802 1.00 43.17 ? 1407 SER A CA 1 ATOM 10750 C C . SER B 2 729 ? -23.404 -44.743 59.666 1.00 44.92 ? 1407 SER A C 1 ATOM 10751 O O . SER B 2 729 ? -22.579 -44.581 60.567 1.00 46.52 ? 1407 SER A O 1 ATOM 10752 C CB . SER B 2 729 ? -24.110 -47.141 59.496 1.00 41.31 ? 1407 SER A CB 1 ATOM 10753 O OG . SER B 2 729 ? -25.486 -46.829 59.606 1.00 45.26 ? 1407 SER A OG 1 ATOM 10754 N N . TYR B 2 730 ? -24.366 -43.863 59.396 1.00 41.40 ? 1408 TYR A N 1 ATOM 10755 C CA . TYR B 2 730 ? -24.398 -42.561 60.053 1.00 41.58 ? 1408 TYR A CA 1 ATOM 10756 C C . TYR B 2 730 ? -25.042 -42.649 61.431 1.00 43.60 ? 1408 TYR A C 1 ATOM 10757 O O . TYR B 2 730 ? -26.048 -43.339 61.623 1.00 43.39 ? 1408 TYR A O 1 ATOM 10758 C CB . TYR B 2 730 ? -25.149 -41.543 59.194 1.00 40.11 ? 1408 TYR A CB 1 ATOM 10759 C CG . TYR B 2 730 ? -25.150 -40.150 59.783 1.00 41.93 ? 1408 TYR A CG 1 ATOM 10760 C CD1 . TYR B 2 730 ? -23.960 -39.469 60.007 1.00 41.96 ? 1408 TYR A CD1 1 ATOM 10761 C CD2 . TYR B 2 730 ? -26.338 -39.516 60.115 1.00 45.52 ? 1408 TYR A CD2 1 ATOM 10762 C CE1 . TYR B 2 730 ? -23.954 -38.192 60.547 1.00 43.11 ? 1408 TYR A CE1 1 ATOM 10763 C CE2 . TYR B 2 730 ? -26.343 -38.241 60.654 1.00 46.09 ? 1408 TYR A CE2 1 ATOM 10764 C CZ . TYR B 2 730 ? -25.152 -37.584 60.869 1.00 45.74 ? 1408 TYR A CZ 1 ATOM 10765 O OH . TYR B 2 730 ? -25.171 -36.316 61.407 1.00 49.21 ? 1408 TYR A OH 1 ATOM 10766 N N . LYS B 2 731 ? -24.449 -41.936 62.397 1.00 41.71 ? 1409 LYS A N 1 ATOM 10767 C CA . LYS B 2 731 ? -24.975 -41.879 63.755 1.00 44.23 ? 1409 LYS A CA 1 ATOM 10768 C C . LYS B 2 731 ? -25.658 -40.537 63.948 1.00 39.32 ? 1409 LYS A C 1 ATOM 10769 O O . LYS B 2 731 ? -24.975 -39.534 64.202 1.00 38.23 ? 1409 LYS A O 1 ATOM 10770 C CB . LYS B 2 731 ? -23.860 -42.068 64.789 1.00 46.45 ? 1409 LYS A CB 1 ATOM 10771 C CG . LYS B 2 731 ? -23.172 -43.419 64.726 1.00 54.16 ? 1409 LYS A CG 1 ATOM 10772 C CD . LYS B 2 731 ? -21.976 -43.492 65.665 1.00 57.41 ? 1409 LYS A CD 1 ATOM 10773 C CE . LYS B 2 731 ? -22.387 -43.346 67.117 1.00 56.16 ? 1409 LYS A CE 1 ATOM 10774 N NZ . LYS B 2 731 ? -21.193 -43.384 68.003 1.00 55.42 ? 1409 LYS A NZ 1 ATOM 10775 N N . PRO B 2 732 ? -26.983 -40.460 63.844 1.00 41.07 ? 1410 PRO A N 1 ATOM 10776 C CA . PRO B 2 732 ? -27.653 -39.157 63.902 1.00 45.31 ? 1410 PRO A CA 1 ATOM 10777 C C . PRO B 2 732 ? -27.425 -38.461 65.234 1.00 53.95 ? 1410 PRO A C 1 ATOM 10778 O O . PRO B 2 732 ? -27.449 -39.084 66.299 1.00 50.00 ? 1410 PRO A O 1 ATOM 10779 C CB . PRO B 2 732 ? -29.131 -39.509 63.701 1.00 42.91 ? 1410 PRO A CB 1 ATOM 10780 C CG . PRO B 2 732 ? -29.118 -40.845 63.043 1.00 43.65 ? 1410 PRO A CG 1 ATOM 10781 C CD . PRO B 2 732 ? -27.937 -41.556 63.622 1.00 43.71 ? 1410 PRO A CD 1 ATOM 10782 N N . SER B 2 733 ? -27.203 -37.154 65.157 1.00 65.79 ? 1411 SER A N 1 ATOM 10783 C CA . SER B 2 733 ? -27.044 -36.317 66.337 1.00 73.44 ? 1411 SER A CA 1 ATOM 10784 C C . SER B 2 733 ? -28.397 -36.169 67.029 1.00 83.07 ? 1411 SER A C 1 ATOM 10785 O O . SER B 2 733 ? -29.394 -36.795 66.660 1.00 83.28 ? 1411 SER A O 1 ATOM 10786 C CB . SER B 2 733 ? -26.455 -34.964 65.949 1.00 76.30 ? 1411 SER A CB 1 ATOM 10787 O OG . SER B 2 733 ? -25.235 -35.112 65.241 1.00 79.98 ? 1411 SER A OG 1 ATOM 10788 N N . ARG B 2 734 ? -28.442 -35.324 68.053 1.00 96.19 ? 1412 ARG A N 1 ATOM 10789 C CA . ARG B 2 734 ? -29.689 -35.094 68.767 1.00 105.25 ? 1412 ARG A CA 1 ATOM 10790 C C . ARG B 2 734 ? -30.673 -34.352 67.872 1.00 101.70 ? 1412 ARG A C 1 ATOM 10791 O O . ARG B 2 734 ? -30.311 -33.375 67.208 1.00 102.49 ? 1412 ARG A O 1 ATOM 10792 C CB . ARG B 2 734 ? -29.428 -34.308 70.051 1.00 113.14 ? 1412 ARG A CB 1 ATOM 10793 C CG . ARG B 2 734 ? -28.667 -33.003 69.861 1.00 119.15 ? 1412 ARG A CG 1 ATOM 10794 C CD . ARG B 2 734 ? -28.352 -32.373 71.207 1.00 125.48 ? 1412 ARG A CD 1 ATOM 10795 N NE . ARG B 2 734 ? -29.555 -32.215 72.020 1.00 131.27 ? 1412 ARG A NE 1 ATOM 10796 C CZ . ARG B 2 734 ? -29.551 -31.889 73.308 1.00 134.68 ? 1412 ARG A CZ 1 ATOM 10797 N NH1 . ARG B 2 734 ? -28.402 -31.688 73.939 1.00 136.82 ? 1412 ARG A NH1 1 ATOM 10798 N NH2 . ARG B 2 734 ? -30.695 -31.767 73.968 1.00 136.73 ? 1412 ARG A NH2 1 ATOM 10799 N N . GLU B 2 735 ? -31.914 -34.836 67.839 1.00 93.23 ? 1413 GLU A N 1 ATOM 10800 C CA . GLU B 2 735 ? -33.013 -34.281 67.052 1.00 87.22 ? 1413 GLU A CA 1 ATOM 10801 C C . GLU B 2 735 ? -32.810 -34.419 65.548 1.00 75.12 ? 1413 GLU A C 1 ATOM 10802 O O . GLU B 2 735 ? -33.540 -33.787 64.776 1.00 74.70 ? 1413 GLU A O 1 ATOM 10803 C CB . GLU B 2 735 ? -33.270 -32.806 67.384 1.00 90.33 ? 1413 GLU A CB 1 ATOM 10804 C CG . GLU B 2 735 ? -33.610 -32.544 68.836 1.00 93.72 ? 1413 GLU A CG 1 ATOM 10805 C CD . GLU B 2 735 ? -34.117 -31.136 69.055 1.00 96.17 ? 1413 GLU A CD 1 ATOM 10806 O OE1 . GLU B 2 735 ? -34.486 -30.483 68.057 1.00 97.22 ? 1413 GLU A OE1 1 ATOM 10807 O OE2 . GLU B 2 735 ? -34.145 -30.682 70.218 1.00 96.76 ? 1413 GLU A OE2 1 ATOM 10808 N N . GLU B 2 736 ? -31.845 -35.218 65.103 1.00 66.94 ? 1414 GLU A N 1 ATOM 10809 C CA . GLU B 2 736 ? -31.666 -35.468 63.680 1.00 60.40 ? 1414 GLU A CA 1 ATOM 10810 C C . GLU B 2 736 ? -32.484 -36.681 63.256 1.00 58.52 ? 1414 GLU A C 1 ATOM 10811 O O . GLU B 2 736 ? -32.597 -37.663 63.997 1.00 55.22 ? 1414 GLU A O 1 ATOM 10812 C CB . GLU B 2 736 ? -30.189 -35.678 63.337 1.00 55.02 ? 1414 GLU A CB 1 ATOM 10813 C CG . GLU B 2 736 ? -29.358 -34.404 63.347 1.00 51.65 ? 1414 GLU A CG 1 ATOM 10814 C CD . GLU B 2 736 ? -27.992 -34.595 62.712 1.00 52.18 ? 1414 GLU A CD 1 ATOM 10815 O OE1 . GLU B 2 736 ? -27.610 -35.758 62.473 1.00 54.98 ? 1414 GLU A OE1 1 ATOM 10816 O OE2 . GLU B 2 736 ? -27.304 -33.586 62.444 1.00 52.20 ? 1414 GLU A OE2 1 ATOM 10817 N N . SER B 2 737 ? -33.059 -36.601 62.059 1.00 58.12 ? 1415 SER A N 1 ATOM 10818 C CA . SER B 2 737 ? -33.900 -37.671 61.552 1.00 55.61 ? 1415 SER A CA 1 ATOM 10819 C C . SER B 2 737 ? -33.048 -38.863 61.126 1.00 56.76 ? 1415 SER A C 1 ATOM 10820 O O . SER B 2 737 ? -31.817 -38.801 61.058 1.00 57.21 ? 1415 SER A O 1 ATOM 10821 C CB . SER B 2 737 ? -34.743 -37.181 60.374 1.00 57.17 ? 1415 SER A CB 1 ATOM 10822 O OG . SER B 2 737 ? -33.931 -36.883 59.249 1.00 55.08 ? 1415 SER A OG 1 ATOM 10823 N N . SER B 2 738 ? -33.728 -39.965 60.832 1.00 59.63 ? 1416 SER A N 1 ATOM 10824 C CA . SER B 2 738 ? -33.070 -41.177 60.367 1.00 62.92 ? 1416 SER A CA 1 ATOM 10825 C C . SER B 2 738 ? -32.820 -41.171 58.865 1.00 61.24 ? 1416 SER A C 1 ATOM 10826 O O . SER B 2 738 ? -32.477 -42.218 58.306 1.00 61.43 ? 1416 SER A O 1 ATOM 10827 C CB . SER B 2 738 ? -33.900 -42.404 60.755 1.00 64.58 ? 1416 SER A CB 1 ATOM 10828 O OG . SER B 2 738 ? -35.231 -42.290 60.284 1.00 69.45 ? 1416 SER A OG 1 ATOM 10829 N N . SER B 2 739 ? -32.970 -40.019 58.207 1.00 58.73 ? 1417 SER A N 1 ATOM 10830 C CA . SER B 2 739 ? -32.836 -39.960 56.756 1.00 59.93 ? 1417 SER A CA 1 ATOM 10831 C C . SER B 2 739 ? -31.403 -40.176 56.287 1.00 57.82 ? 1417 SER A C 1 ATOM 10832 O O . SER B 2 739 ? -31.194 -40.491 55.110 1.00 57.23 ? 1417 SER A O 1 ATOM 10833 C CB . SER B 2 739 ? -33.356 -38.621 56.237 1.00 63.02 ? 1417 SER A CB 1 ATOM 10834 O OG . SER B 2 739 ? -32.621 -37.548 56.795 1.00 67.90 ? 1417 SER A OG 1 ATOM 10835 N N . GLY B 2 740 ? -30.421 -40.016 57.167 1.00 54.32 ? 1418 GLY A N 1 ATOM 10836 C CA . GLY B 2 740 ? -29.030 -40.240 56.826 1.00 50.07 ? 1418 GLY A CA 1 ATOM 10837 C C . GLY B 2 740 ? -28.238 -38.944 56.805 1.00 45.23 ? 1418 GLY A C 1 ATOM 10838 O O . GLY B 2 740 ? -28.762 -37.849 57.017 1.00 44.19 ? 1418 GLY A O 1 ATOM 10839 N N . SER B 2 741 ? -26.945 -39.099 56.535 1.00 41.00 ? 1419 SER A N 1 ATOM 10840 C CA . SER B 2 741 ? -26.028 -37.974 56.547 1.00 40.27 ? 1419 SER A CA 1 ATOM 10841 C C . SER B 2 741 ? -26.194 -37.141 55.284 1.00 40.19 ? 1419 SER A C 1 ATOM 10842 O O . SER B 2 741 ? -27.021 -37.420 54.413 1.00 39.68 ? 1419 SER A O 1 ATOM 10843 C CB . SER B 2 741 ? -24.586 -38.448 56.655 1.00 42.46 ? 1419 SER A CB 1 ATOM 10844 O OG . SER B 2 741 ? -24.102 -38.827 55.378 1.00 44.47 ? 1419 SER A OG 1 ATOM 10845 N N . SER B 2 742 ? -25.373 -36.110 55.188 1.00 41.20 ? 1420 SER A N 1 ATOM 10846 C CA . SER B 2 742 ? -25.316 -35.259 54.019 1.00 40.80 ? 1420 SER A CA 1 ATOM 10847 C C . SER B 2 742 ? -24.166 -35.736 53.130 1.00 42.56 ? 1420 SER A C 1 ATOM 10848 O O . SER B 2 742 ? -23.758 -36.898 53.218 1.00 47.10 ? 1420 SER A O 1 ATOM 10849 C CB . SER B 2 742 ? -25.186 -33.799 54.463 1.00 37.44 ? 1420 SER A CB 1 ATOM 10850 O OG . SER B 2 742 ? -23.955 -33.573 55.118 1.00 43.57 ? 1420 SER A OG 1 ATOM 10851 N N . HIS B 2 743 ? -23.662 -34.866 52.255 1.00 41.08 ? 1421 HIS A N 1 ATOM 10852 C CA . HIS B 2 743 ? -22.510 -35.184 51.412 1.00 39.66 ? 1421 HIS A CA 1 ATOM 10853 C C . HIS B 2 743 ? -21.371 -35.748 52.254 1.00 44.48 ? 1421 HIS A C 1 ATOM 10854 O O . HIS B 2 743 ? -20.854 -35.075 53.152 1.00 46.67 ? 1421 HIS A O 1 ATOM 10855 C CB . HIS B 2 743 ? -22.067 -33.923 50.662 1.00 40.32 ? 1421 HIS A CB 1 ATOM 10856 C CG . HIS B 2 743 ? -20.844 -34.098 49.813 1.00 39.31 ? 1421 HIS A CG 1 ATOM 10857 N ND1 . HIS B 2 743 ? -20.233 -33.038 49.179 1.00 41.76 ? 1421 HIS A ND1 1 ATOM 10858 C CD2 . HIS B 2 743 ? -20.123 -35.197 49.488 1.00 41.02 ? 1421 HIS A CD2 1 ATOM 10859 C CE1 . HIS B 2 743 ? -19.184 -33.475 48.506 1.00 43.30 ? 1421 HIS A CE1 1 ATOM 10860 N NE2 . HIS B 2 743 ? -19.094 -34.781 48.678 1.00 43.45 ? 1421 HIS A NE2 1 ATOM 10861 N N . ALA B 2 744 ? -20.994 -36.996 51.967 1.00 40.03 ? 1422 ALA A N 1 ATOM 10862 C CA . ALA B 2 744 ? -20.054 -37.741 52.785 1.00 36.33 ? 1422 ALA A CA 1 ATOM 10863 C C . ALA B 2 744 ? -18.848 -38.168 51.963 1.00 38.58 ? 1422 ALA A C 1 ATOM 10864 O O . ALA B 2 744 ? -18.883 -38.210 50.729 1.00 39.00 ? 1422 ALA A O 1 ATOM 10865 C CB . ALA B 2 744 ? -20.714 -38.975 53.408 1.00 35.55 ? 1422 ALA A CB 1 ATOM 10866 N N . VAL B 2 745 ? -17.781 -38.496 52.687 1.00 37.04 ? 1423 VAL A N 1 ATOM 10867 C CA . VAL B 2 745 ? -16.513 -38.935 52.128 1.00 37.11 ? 1423 VAL A CA 1 ATOM 10868 C C . VAL B 2 745 ? -16.093 -40.196 52.868 1.00 41.32 ? 1423 VAL A C 1 ATOM 10869 O O . VAL B 2 745 ? -16.095 -40.224 54.107 1.00 46.49 ? 1423 VAL A O 1 ATOM 10870 C CB . VAL B 2 745 ? -15.425 -37.850 52.253 1.00 35.91 ? 1423 VAL A CB 1 ATOM 10871 C CG1 . VAL B 2 745 ? -14.114 -38.344 51.676 1.00 35.40 ? 1423 VAL A CG1 1 ATOM 10872 C CG2 . VAL B 2 745 ? -15.862 -36.562 51.568 1.00 35.75 ? 1423 VAL A CG2 1 ATOM 10873 N N . MET B 2 746 ? -15.751 -41.239 52.111 1.00 37.96 ? 1424 MET A N 1 ATOM 10874 C CA . MET B 2 746 ? -15.152 -42.462 52.635 1.00 36.79 ? 1424 MET A CA 1 ATOM 10875 C C . MET B 2 746 ? -13.730 -42.530 52.084 1.00 39.52 ? 1424 MET A C 1 ATOM 10876 O O . MET B 2 746 ? -13.521 -42.800 50.900 1.00 44.02 ? 1424 MET A O 1 ATOM 10877 C CB . MET B 2 746 ? -15.972 -43.692 52.256 1.00 34.94 ? 1424 MET A CB 1 ATOM 10878 C CG . MET B 2 746 ? -17.381 -43.680 52.827 1.00 37.82 ? 1424 MET A CG 1 ATOM 10879 S SD . MET B 2 746 ? -18.375 -45.125 52.400 1.00 45.63 ? 1424 MET A SD 1 ATOM 10880 C CE . MET B 2 746 ? -17.331 -46.436 53.017 1.00 46.93 ? 1424 MET A CE 1 ATOM 10881 N N . ASP B 2 747 ? -12.764 -42.266 52.953 1.00 39.85 ? 1425 ASP A N 1 ATOM 10882 C CA . ASP B 2 747 ? -11.342 -42.267 52.639 1.00 39.94 ? 1425 ASP A CA 1 ATOM 10883 C C . ASP B 2 747 ? -10.720 -43.537 53.215 1.00 45.33 ? 1425 ASP A C 1 ATOM 10884 O O . ASP B 2 747 ? -10.677 -43.713 54.438 1.00 48.72 ? 1425 ASP A O 1 ATOM 10885 C CB . ASP B 2 747 ? -10.690 -41.014 53.228 1.00 37.14 ? 1425 ASP A CB 1 ATOM 10886 C CG . ASP B 2 747 ? -9.228 -40.866 52.861 1.00 46.83 ? 1425 ASP A CG 1 ATOM 10887 O OD1 . ASP B 2 747 ? -8.556 -41.877 52.581 1.00 48.47 ? 1425 ASP A OD1 1 ATOM 10888 O OD2 . ASP B 2 747 ? -8.742 -39.715 52.874 1.00 56.70 ? 1425 ASP A OD2 1 ATOM 10889 N N . ILE B 2 748 ? -10.234 -44.412 52.342 1.00 41.04 ? 1426 ILE A N 1 ATOM 10890 C CA . ILE B 2 748 ? -9.623 -45.671 52.745 1.00 36.91 ? 1426 ILE A CA 1 ATOM 10891 C C . ILE B 2 748 ? -8.141 -45.598 52.415 1.00 39.07 ? 1426 ILE A C 1 ATOM 10892 O O . ILE B 2 748 ? -7.754 -45.653 51.242 1.00 44.90 ? 1426 ILE A O 1 ATOM 10893 C CB . ILE B 2 748 ? -10.276 -46.869 52.050 1.00 36.75 ? 1426 ILE A CB 1 ATOM 10894 C CG1 . ILE B 2 748 ? -11.785 -46.852 52.277 1.00 34.42 ? 1426 ILE A CG1 1 ATOM 10895 C CG2 . ILE B 2 748 ? -9.664 -48.166 52.550 1.00 38.77 ? 1426 ILE A CG2 1 ATOM 10896 C CD1 . ILE B 2 748 ? -12.508 -47.899 51.482 1.00 37.56 ? 1426 ILE A CD1 1 ATOM 10897 N N . SER B 2 749 ? -7.309 -45.472 53.441 1.00 37.35 ? 1427 SER A N 1 ATOM 10898 C CA . SER B 2 749 ? -5.869 -45.528 53.239 1.00 39.30 ? 1427 SER A CA 1 ATOM 10899 C C . SER B 2 749 ? -5.462 -46.943 52.842 1.00 44.50 ? 1427 SER A C 1 ATOM 10900 O O . SER B 2 749 ? -5.895 -47.922 53.457 1.00 49.17 ? 1427 SER A O 1 ATOM 10901 C CB . SER B 2 749 ? -5.141 -45.095 54.510 1.00 43.17 ? 1427 SER A CB 1 ATOM 10902 O OG . SER B 2 749 ? -3.762 -45.421 54.454 1.00 49.79 ? 1427 SER A OG 1 ATOM 10903 N N . LEU B 2 750 ? -4.643 -47.054 51.789 1.00 42.13 ? 1428 LEU A N 1 ATOM 10904 C CA . LEU B 2 750 ? -4.236 -48.419 51.485 1.00 39.55 ? 1428 LEU A CA 1 ATOM 10905 C C . LEU B 2 750 ? -2.905 -48.736 52.154 1.00 42.05 ? 1428 LEU A C 1 ATOM 10906 O O . LEU B 2 750 ? -2.033 -47.865 52.243 1.00 46.19 ? 1428 LEU A O 1 ATOM 10907 C CB . LEU B 2 750 ? -4.105 -48.627 49.982 1.00 39.15 ? 1428 LEU A CB 1 ATOM 10908 C CG . LEU B 2 750 ? -5.402 -48.634 49.174 1.00 42.88 ? 1428 LEU A CG 1 ATOM 10909 C CD1 . LEU B 2 750 ? -5.104 -48.764 47.689 1.00 41.89 ? 1428 LEU A CD1 1 ATOM 10910 C CD2 . LEU B 2 750 ? -6.306 -49.761 49.643 1.00 45.08 ? 1428 LEU A CD2 1 ATOM 10911 N N . PRO B 2 751 ? -2.730 -49.965 52.635 1.00 37.39 ? 1429 PRO A N 1 ATOM 10912 C CA . PRO B 2 751 ? -1.445 -50.345 53.227 1.00 37.55 ? 1429 PRO A CA 1 ATOM 10913 C C . PRO B 2 751 ? -0.336 -50.315 52.187 1.00 44.77 ? 1429 PRO A C 1 ATOM 10914 O O . PRO B 2 751 ? -0.578 -50.287 50.979 1.00 48.89 ? 1429 PRO A O 1 ATOM 10915 C CB . PRO B 2 751 ? -1.690 -51.769 53.741 1.00 35.97 ? 1429 PRO A CB 1 ATOM 10916 C CG . PRO B 2 751 ? -3.173 -51.891 53.850 1.00 35.62 ? 1429 PRO A CG 1 ATOM 10917 C CD . PRO B 2 751 ? -3.740 -51.026 52.766 1.00 36.82 ? 1429 PRO A CD 1 ATOM 10918 N N . THR B 2 752 ? 0.901 -50.322 52.676 1.00 44.34 ? 1430 THR A N 1 ATOM 10919 C CA . THR B 2 752 ? 2.050 -50.245 51.787 1.00 43.90 ? 1430 THR A CA 1 ATOM 10920 C C . THR B 2 752 ? 2.099 -51.460 50.867 1.00 46.16 ? 1430 THR A C 1 ATOM 10921 O O . THR B 2 752 ? 1.994 -52.604 51.319 1.00 50.94 ? 1430 THR A O 1 ATOM 10922 C CB . THR B 2 752 ? 3.336 -50.138 52.605 1.00 40.69 ? 1430 THR A CB 1 ATOM 10923 O OG1 . THR B 2 752 ? 3.234 -49.020 53.496 1.00 39.70 ? 1430 THR A OG1 1 ATOM 10924 C CG2 . THR B 2 752 ? 4.543 -49.943 51.692 1.00 38.68 ? 1430 THR A CG2 1 ATOM 10925 N N . GLY B 2 753 ? 2.248 -51.202 49.568 1.00 40.17 ? 1431 GLY A N 1 ATOM 10926 C CA . GLY B 2 753 ? 2.327 -52.247 48.572 1.00 41.26 ? 1431 GLY A CA 1 ATOM 10927 C C . GLY B 2 753 ? 1.000 -52.836 48.150 1.00 43.11 ? 1431 GLY A C 1 ATOM 10928 O O . GLY B 2 753 ? 0.987 -53.774 47.342 1.00 40.73 ? 1431 GLY A O 1 ATOM 10929 N N . ILE B 2 754 ? -0.110 -52.329 48.672 1.00 42.44 ? 1432 ILE A N 1 ATOM 10930 C CA . ILE B 2 754 ? -1.440 -52.794 48.306 1.00 44.37 ? 1432 ILE A CA 1 ATOM 10931 C C . ILE B 2 754 ? -2.006 -51.853 47.257 1.00 47.38 ? 1432 ILE A C 1 ATOM 10932 O O . ILE B 2 754 ? -1.977 -50.628 47.426 1.00 48.43 ? 1432 ILE A O 1 ATOM 10933 C CB . ILE B 2 754 ? -2.365 -52.867 49.531 1.00 46.22 ? 1432 ILE A CB 1 ATOM 10934 C CG1 . ILE B 2 754 ? -1.876 -53.943 50.495 1.00 42.69 ? 1432 ILE A CG1 1 ATOM 10935 C CG2 . ILE B 2 754 ? -3.794 -53.140 49.092 1.00 47.53 ? 1432 ILE A CG2 1 ATOM 10936 C CD1 . ILE B 2 754 ? -1.851 -55.324 49.895 1.00 37.26 ? 1432 ILE A CD1 1 ATOM 10937 N N . SER B 2 755 ? -2.524 -52.418 46.178 1.00 50.50 ? 1433 SER A N 1 ATOM 10938 C CA . SER B 2 755 ? -3.078 -51.646 45.080 1.00 46.55 ? 1433 SER A CA 1 ATOM 10939 C C . SER B 2 755 ? -4.541 -52.023 44.887 1.00 43.92 ? 1433 SER A C 1 ATOM 10940 O O . SER B 2 755 ? -4.914 -53.197 45.005 1.00 47.36 ? 1433 SER A O 1 ATOM 10941 C CB . SER B 2 755 ? -2.278 -51.888 43.799 1.00 48.64 ? 1433 SER A CB 1 ATOM 10942 O OG . SER B 2 755 ? -2.748 -51.075 42.748 1.00 57.02 ? 1433 SER A OG 1 ATOM 10943 N N . ALA B 2 756 ? -5.367 -51.023 44.602 1.00 43.14 ? 1434 ALA A N 1 ATOM 10944 C CA . ALA B 2 756 ? -6.796 -51.233 44.430 1.00 46.10 ? 1434 ALA A CA 1 ATOM 10945 C C . ALA B 2 756 ? -7.142 -51.456 42.963 1.00 51.25 ? 1434 ALA A C 1 ATOM 10946 O O . ALA B 2 756 ? -6.511 -50.900 42.057 1.00 46.47 ? 1434 ALA A O 1 ATOM 10947 C CB . ALA B 2 756 ? -7.592 -50.043 44.971 1.00 41.56 ? 1434 ALA A CB 1 ATOM 10948 N N . ASN B 2 757 ? -8.159 -52.285 42.739 1.00 55.07 ? 1435 ASN A N 1 ATOM 10949 C CA . ASN B 2 757 ? -8.685 -52.535 41.401 1.00 50.32 ? 1435 ASN A CA 1 ATOM 10950 C C . ASN B 2 757 ? -9.576 -51.366 40.999 1.00 48.85 ? 1435 ASN A C 1 ATOM 10951 O O . ASN B 2 757 ? -10.687 -51.213 41.518 1.00 48.73 ? 1435 ASN A O 1 ATOM 10952 C CB . ASN B 2 757 ? -9.455 -53.850 41.372 1.00 48.04 ? 1435 ASN A CB 1 ATOM 10953 C CG . ASN B 2 757 ? -9.878 -54.246 39.977 1.00 50.65 ? 1435 ASN A CG 1 ATOM 10954 O OD1 . ASN B 2 757 ? -10.319 -53.414 39.187 1.00 50.01 ? 1435 ASN A OD1 1 ATOM 10955 N ND2 . ASN B 2 757 ? -9.733 -55.526 39.659 1.00 51.68 ? 1435 ASN A ND2 1 ATOM 10956 N N . GLU B 2 758 ? -9.099 -50.554 40.056 1.00 48.89 ? 1436 GLU A N 1 ATOM 10957 C CA . GLU B 2 758 ? -9.836 -49.363 39.654 1.00 50.31 ? 1436 GLU A CA 1 ATOM 10958 C C . GLU B 2 758 ? -11.091 -49.691 38.850 1.00 50.26 ? 1436 GLU A C 1 ATOM 10959 O O . GLU B 2 758 ? -12.006 -48.861 38.789 1.00 47.86 ? 1436 GLU A O 1 ATOM 10960 C CB . GLU B 2 758 ? -8.912 -48.439 38.860 1.00 58.50 ? 1436 GLU A CB 1 ATOM 10961 C CG . GLU B 2 758 ? -9.173 -46.959 39.064 1.00 64.93 ? 1436 GLU A CG 1 ATOM 10962 C CD . GLU B 2 758 ? -7.971 -46.095 38.727 1.00 67.59 ? 1436 GLU A CD 1 ATOM 10963 O OE1 . GLU B 2 758 ? -6.848 -46.636 38.633 1.00 65.34 ? 1436 GLU A OE1 1 ATOM 10964 O OE2 . GLU B 2 758 ? -8.151 -44.869 38.560 1.00 70.06 ? 1436 GLU A OE2 1 ATOM 10965 N N . GLU B 2 759 ? -11.160 -50.879 38.240 1.00 55.85 ? 1437 GLU A N 1 ATOM 10966 C CA . GLU B 2 759 ? -12.359 -51.263 37.499 1.00 60.29 ? 1437 GLU A CA 1 ATOM 10967 C C . GLU B 2 759 ? -13.543 -51.458 38.435 1.00 59.44 ? 1437 GLU A C 1 ATOM 10968 O O . GLU B 2 759 ? -14.667 -51.038 38.124 1.00 58.13 ? 1437 GLU A O 1 ATOM 10969 C CB . GLU B 2 759 ? -12.100 -52.541 36.701 1.00 70.69 ? 1437 GLU A CB 1 ATOM 10970 C CG . GLU B 2 759 ? -10.920 -52.459 35.755 1.00 81.98 ? 1437 GLU A CG 1 ATOM 10971 C CD . GLU B 2 759 ? -11.239 -51.674 34.504 1.00 93.47 ? 1437 GLU A CD 1 ATOM 10972 O OE1 . GLU B 2 759 ? -11.696 -52.288 33.515 1.00 100.61 ? 1437 GLU A OE1 1 ATOM 10973 O OE2 . GLU B 2 759 ? -11.043 -50.441 34.512 1.00 96.43 ? 1437 GLU A OE2 1 ATOM 10974 N N . ASP B 2 760 ? -13.309 -52.097 39.584 1.00 58.41 ? 1438 ASP A N 1 ATOM 10975 C CA . ASP B 2 760 ? -14.377 -52.283 40.559 1.00 57.69 ? 1438 ASP A CA 1 ATOM 10976 C C . ASP B 2 760 ? -14.923 -50.946 41.035 1.00 54.90 ? 1438 ASP A C 1 ATOM 10977 O O . ASP B 2 760 ? -16.136 -50.790 41.213 1.00 59.06 ? 1438 ASP A O 1 ATOM 10978 C CB . ASP B 2 760 ? -13.868 -53.102 41.742 1.00 60.98 ? 1438 ASP A CB 1 ATOM 10979 C CG . ASP B 2 760 ? -13.306 -54.435 41.320 1.00 68.63 ? 1438 ASP A CG 1 ATOM 10980 O OD1 . ASP B 2 760 ? -12.986 -54.584 40.122 1.00 71.97 ? 1438 ASP A OD1 1 ATOM 10981 O OD2 . ASP B 2 760 ? -13.180 -55.331 42.181 1.00 71.85 ? 1438 ASP A OD2 1 ATOM 10982 N N . LEU B 2 761 ? -14.041 -49.966 41.243 1.00 51.43 ? 1439 LEU A N 1 ATOM 10983 C CA . LEU B 2 761 ? -14.494 -48.649 41.673 1.00 47.36 ? 1439 LEU A CA 1 ATOM 10984 C C . LEU B 2 761 ? -15.248 -47.936 40.558 1.00 47.25 ? 1439 LEU A C 1 ATOM 10985 O O . LEU B 2 761 ? -16.285 -47.313 40.807 1.00 50.01 ? 1439 LEU A O 1 ATOM 10986 C CB . LEU B 2 761 ? -13.306 -47.818 42.151 1.00 43.70 ? 1439 LEU A CB 1 ATOM 10987 C CG . LEU B 2 761 ? -12.554 -48.402 43.350 1.00 42.31 ? 1439 LEU A CG 1 ATOM 10988 C CD1 . LEU B 2 761 ? -11.283 -47.608 43.631 1.00 41.26 ? 1439 LEU A CD1 1 ATOM 10989 C CD2 . LEU B 2 761 ? -13.458 -48.457 44.580 1.00 34.37 ? 1439 LEU A CD2 1 ATOM 10990 N N . LYS B 2 762 ? -14.747 -48.022 39.321 1.00 50.35 ? 1440 LYS A N 1 ATOM 10991 C CA . LYS B 2 762 ? -15.473 -47.448 38.191 1.00 55.66 ? 1440 LYS A CA 1 ATOM 10992 C C . LYS B 2 762 ? -16.891 -47.996 38.115 1.00 51.84 ? 1440 LYS A C 1 ATOM 10993 O O . LYS B 2 762 ? -17.850 -47.235 37.942 1.00 49.02 ? 1440 LYS A O 1 ATOM 10994 C CB . LYS B 2 762 ? -14.734 -47.723 36.881 1.00 64.94 ? 1440 LYS A CB 1 ATOM 10995 C CG . LYS B 2 762 ? -13.615 -46.751 36.560 1.00 73.75 ? 1440 LYS A CG 1 ATOM 10996 C CD . LYS B 2 762 ? -12.969 -47.085 35.220 1.00 81.91 ? 1440 LYS A CD 1 ATOM 10997 C CE . LYS B 2 762 ? -11.838 -46.120 34.879 1.00 86.67 ? 1440 LYS A CE 1 ATOM 10998 N NZ . LYS B 2 762 ? -12.307 -44.716 34.695 1.00 88.39 ? 1440 LYS A NZ 1 ATOM 10999 N N . ALA B 2 763 ? -17.045 -49.316 38.258 1.00 50.74 ? 1441 ALA A N 1 ATOM 11000 C CA . ALA B 2 763 ? -18.360 -49.942 38.146 1.00 44.75 ? 1441 ALA A CA 1 ATOM 11001 C C . ALA B 2 763 ? -19.326 -49.489 39.232 1.00 47.05 ? 1441 ALA A C 1 ATOM 11002 O O . ALA B 2 763 ? -20.538 -49.679 39.080 1.00 48.28 ? 1441 ALA A O 1 ATOM 11003 C CB . ALA B 2 763 ? -18.223 -51.465 38.190 1.00 41.12 ? 1441 ALA A CB 1 ATOM 11004 N N . LEU B 2 764 ? -18.829 -48.912 40.325 1.00 43.42 ? 1442 LEU A N 1 ATOM 11005 C CA . LEU B 2 764 ? -19.699 -48.474 41.405 1.00 43.64 ? 1442 LEU A CA 1 ATOM 11006 C C . LEU B 2 764 ? -20.176 -47.036 41.247 1.00 43.04 ? 1442 LEU A C 1 ATOM 11007 O O . LEU B 2 764 ? -21.047 -46.604 42.011 1.00 41.17 ? 1442 LEU A O 1 ATOM 11008 C CB . LEU B 2 764 ? -18.987 -48.633 42.753 1.00 46.58 ? 1442 LEU A CB 1 ATOM 11009 C CG . LEU B 2 764 ? -18.669 -50.063 43.199 1.00 44.23 ? 1442 LEU A CG 1 ATOM 11010 C CD1 . LEU B 2 764 ? -17.810 -50.040 44.442 1.00 46.18 ? 1442 LEU A CD1 1 ATOM 11011 C CD2 . LEU B 2 764 ? -19.941 -50.847 43.456 1.00 34.27 ? 1442 LEU A CD2 1 ATOM 11012 N N . VAL B 2 765 ? -19.644 -46.288 40.279 1.00 43.28 ? 1443 VAL A N 1 ATOM 11013 C CA . VAL B 2 765 ? -20.038 -44.893 40.111 1.00 44.49 ? 1443 VAL A CA 1 ATOM 11014 C C . VAL B 2 765 ? -20.591 -44.645 38.712 1.00 46.41 ? 1443 VAL A C 1 ATOM 11015 O O . VAL B 2 765 ? -21.479 -43.806 38.530 1.00 48.00 ? 1443 VAL A O 1 ATOM 11016 C CB . VAL B 2 765 ? -18.861 -43.946 40.421 1.00 43.86 ? 1443 VAL A CB 1 ATOM 11017 C CG1 . VAL B 2 765 ? -18.409 -44.134 41.846 1.00 46.95 ? 1443 VAL A CG1 1 ATOM 11018 C CG2 . VAL B 2 765 ? -17.697 -44.207 39.493 1.00 49.41 ? 1443 VAL A CG2 1 ATOM 11019 N N . GLU B 2 766 ? -20.092 -45.385 37.717 1.00 49.95 ? 1444 GLU A N 1 ATOM 11020 C CA . GLU B 2 766 ? -20.402 -45.065 36.324 1.00 52.45 ? 1444 GLU A CA 1 ATOM 11021 C C . GLU B 2 766 ? -21.819 -45.442 35.911 1.00 52.97 ? 1444 GLU A C 1 ATOM 11022 O O . GLU B 2 766 ? -22.303 -44.952 34.881 1.00 55.37 ? 1444 GLU A O 1 ATOM 11023 C CB . GLU B 2 766 ? -19.412 -45.756 35.385 1.00 61.20 ? 1444 GLU A CB 1 ATOM 11024 C CG . GLU B 2 766 ? -17.999 -45.187 35.408 1.00 69.04 ? 1444 GLU A CG 1 ATOM 11025 C CD . GLU B 2 766 ? -17.156 -45.690 34.250 1.00 78.25 ? 1444 GLU A CD 1 ATOM 11026 O OE1 . GLU B 2 766 ? -16.480 -44.863 33.603 1.00 83.47 ? 1444 GLU A OE1 1 ATOM 11027 O OE2 . GLU B 2 766 ? -17.179 -46.911 33.978 1.00 79.40 ? 1444 GLU A OE2 1 ATOM 11028 N N . GLY B 2 767 ? -22.500 -46.286 36.671 1.00 53.16 ? 1445 GLY A N 1 ATOM 11029 C CA . GLY B 2 767 ? -23.793 -46.776 36.250 1.00 56.39 ? 1445 GLY A CA 1 ATOM 11030 C C . GLY B 2 767 ? -24.958 -46.000 36.840 1.00 61.97 ? 1445 GLY A C 1 ATOM 11031 O O . GLY B 2 767 ? -24.815 -45.191 37.755 1.00 62.91 ? 1445 GLY A O 1 ATOM 11032 N N . VAL B 2 768 ? -26.141 -46.274 36.288 1.00 62.17 ? 1446 VAL A N 1 ATOM 11033 C CA . VAL B 2 768 ? -27.359 -45.645 36.779 1.00 55.98 ? 1446 VAL A CA 1 ATOM 11034 C C . VAL B 2 768 ? -27.703 -46.151 38.172 1.00 55.20 ? 1446 VAL A C 1 ATOM 11035 O O . VAL B 2 768 ? -28.364 -45.453 38.952 1.00 56.30 ? 1446 VAL A O 1 ATOM 11036 C CB . VAL B 2 768 ? -28.506 -45.892 35.784 1.00 56.15 ? 1446 VAL A CB 1 ATOM 11037 C CG1 . VAL B 2 768 ? -29.734 -45.106 36.191 1.00 62.49 ? 1446 VAL A CG1 1 ATOM 11038 C CG2 . VAL B 2 768 ? -28.069 -45.514 34.380 1.00 50.88 ? 1446 VAL A CG2 1 ATOM 11039 N N . ASP B 2 769 ? -27.271 -47.365 38.512 1.00 54.57 ? 1447 ASP A N 1 ATOM 11040 C CA . ASP B 2 769 ? -27.442 -47.910 39.852 1.00 52.79 ? 1447 ASP A CA 1 ATOM 11041 C C . ASP B 2 769 ? -26.263 -47.595 40.755 1.00 50.48 ? 1447 ASP A C 1 ATOM 11042 O O . ASP B 2 769 ? -25.939 -48.395 41.643 1.00 50.81 ? 1447 ASP A O 1 ATOM 11043 C CB . ASP B 2 769 ? -27.664 -49.419 39.780 1.00 56.68 ? 1447 ASP A CB 1 ATOM 11044 C CG . ASP B 2 769 ? -26.479 -50.155 39.178 1.00 62.91 ? 1447 ASP A CG 1 ATOM 11045 O OD1 . ASP B 2 769 ? -25.729 -49.542 38.387 1.00 60.07 ? 1447 ASP A OD1 1 ATOM 11046 O OD2 . ASP B 2 769 ? -26.297 -51.350 39.495 1.00 68.21 ? 1447 ASP A OD2 1 ATOM 11047 N N . GLN B 2 770 ? -25.613 -46.451 40.544 1.00 46.50 ? 1448 GLN A N 1 ATOM 11048 C CA . GLN B 2 770 ? -24.382 -46.137 41.252 1.00 45.45 ? 1448 GLN A CA 1 ATOM 11049 C C . GLN B 2 770 ? -24.593 -46.176 42.760 1.00 47.37 ? 1448 GLN A C 1 ATOM 11050 O O . GLN B 2 770 ? -25.626 -45.738 43.274 1.00 50.53 ? 1448 GLN A O 1 ATOM 11051 C CB . GLN B 2 770 ? -23.869 -44.758 40.830 1.00 43.44 ? 1448 GLN A CB 1 ATOM 11052 C CG . GLN B 2 770 ? -24.835 -43.617 41.113 1.00 42.01 ? 1448 GLN A CG 1 ATOM 11053 C CD . GLN B 2 770 ? -24.227 -42.258 40.832 1.00 42.40 ? 1448 GLN A CD 1 ATOM 11054 O OE1 . GLN B 2 770 ? -23.109 -42.157 40.327 1.00 38.62 ? 1448 GLN A OE1 1 ATOM 11055 N NE2 . GLN B 2 770 ? -24.962 -41.201 41.160 1.00 43.35 ? 1448 GLN A NE2 1 ATOM 11056 N N . LEU B 2 771 ? -23.616 -46.740 43.467 1.00 41.52 ? 1449 LEU A N 1 ATOM 11057 C CA . LEU B 2 771 ? -23.609 -46.659 44.919 1.00 40.61 ? 1449 LEU A CA 1 ATOM 11058 C C . LEU B 2 771 ? -22.877 -45.421 45.406 1.00 47.42 ? 1449 LEU A C 1 ATOM 11059 O O . LEU B 2 771 ? -23.271 -44.835 46.419 1.00 50.08 ? 1449 LEU A O 1 ATOM 11060 C CB . LEU B 2 771 ? -22.965 -47.910 45.522 1.00 43.62 ? 1449 LEU A CB 1 ATOM 11061 C CG . LEU B 2 771 ? -23.097 -48.107 47.036 1.00 39.39 ? 1449 LEU A CG 1 ATOM 11062 C CD1 . LEU B 2 771 ? -24.556 -48.070 47.467 1.00 35.87 ? 1449 LEU A CD1 1 ATOM 11063 C CD2 . LEU B 2 771 ? -22.451 -49.418 47.442 1.00 35.48 ? 1449 LEU A CD2 1 ATOM 11064 N N . PHE B 2 772 ? -21.835 -45.008 44.693 1.00 47.24 ? 1450 PHE A N 1 ATOM 11065 C CA . PHE B 2 772 ? -21.064 -43.818 45.004 1.00 46.52 ? 1450 PHE A CA 1 ATOM 11066 C C . PHE B 2 772 ? -21.107 -42.852 43.829 1.00 46.14 ? 1450 PHE A C 1 ATOM 11067 O O . PHE B 2 772 ? -21.363 -43.231 42.681 1.00 45.92 ? 1450 PHE A O 1 ATOM 11068 C CB . PHE B 2 772 ? -19.614 -44.172 45.348 1.00 49.62 ? 1450 PHE A CB 1 ATOM 11069 C CG . PHE B 2 772 ? -19.493 -45.055 46.541 1.00 51.03 ? 1450 PHE A CG 1 ATOM 11070 C CD1 . PHE B 2 772 ? -19.365 -44.512 47.805 1.00 54.32 ? 1450 PHE A CD1 1 ATOM 11071 C CD2 . PHE B 2 772 ? -19.549 -46.430 46.407 1.00 53.99 ? 1450 PHE A CD2 1 ATOM 11072 C CE1 . PHE B 2 772 ? -19.273 -45.325 48.914 1.00 58.11 ? 1450 PHE A CE1 1 ATOM 11073 C CE2 . PHE B 2 772 ? -19.459 -47.248 47.510 1.00 60.26 ? 1450 PHE A CE2 1 ATOM 11074 C CZ . PHE B 2 772 ? -19.320 -46.692 48.767 1.00 61.31 ? 1450 PHE A CZ 1 ATOM 11075 N N . THR B 2 773 ? -20.846 -41.590 44.135 1.00 39.70 ? 1451 THR A N 1 ATOM 11076 C CA . THR B 2 773 ? -21.037 -40.514 43.184 1.00 43.43 ? 1451 THR A CA 1 ATOM 11077 C C . THR B 2 773 ? -19.732 -40.034 42.565 1.00 40.71 ? 1451 THR A C 1 ATOM 11078 O O . THR B 2 773 ? -19.767 -39.311 41.562 1.00 38.90 ? 1451 THR A O 1 ATOM 11079 C CB . THR B 2 773 ? -21.749 -39.351 43.879 1.00 42.44 ? 1451 THR A CB 1 ATOM 11080 O OG1 . THR B 2 773 ? -22.169 -38.393 42.909 1.00 54.82 ? 1451 THR A OG1 1 ATOM 11081 C CG2 . THR B 2 773 ? -20.814 -38.696 44.849 1.00 29.72 ? 1451 THR A CG2 1 ATOM 11082 N N . ASP B 2 774 ? -18.594 -40.429 43.126 1.00 40.50 ? 1452 ASP A N 1 ATOM 11083 C CA . ASP B 2 774 ? -17.277 -40.079 42.613 1.00 38.51 ? 1452 ASP A CA 1 ATOM 11084 C C . ASP B 2 774 ? -16.247 -40.923 43.347 1.00 40.90 ? 1452 ASP A C 1 ATOM 11085 O O . ASP B 2 774 ? -16.432 -41.270 44.521 1.00 44.60 ? 1452 ASP A O 1 ATOM 11086 C CB . ASP B 2 774 ? -16.978 -38.584 42.797 1.00 38.79 ? 1452 ASP A CB 1 ATOM 11087 C CG . ASP B 2 774 ? -15.695 -38.153 42.111 1.00 45.18 ? 1452 ASP A CG 1 ATOM 11088 O OD1 . ASP B 2 774 ? -14.631 -38.180 42.765 1.00 39.89 ? 1452 ASP A OD1 1 ATOM 11089 O OD2 . ASP B 2 774 ? -15.747 -37.779 40.917 1.00 54.71 ? 1452 ASP A OD2 1 ATOM 11090 N N . TYR B 2 775 ? -15.169 -41.257 42.647 1.00 37.66 ? 1453 TYR A N 1 ATOM 11091 C CA . TYR B 2 775 ? -14.070 -41.982 43.259 1.00 39.12 ? 1453 TYR A CA 1 ATOM 11092 C C . TYR B 2 775 ? -12.761 -41.427 42.728 1.00 37.27 ? 1453 TYR A C 1 ATOM 11093 O O . TYR B 2 775 ? -12.719 -40.789 41.675 1.00 41.24 ? 1453 TYR A O 1 ATOM 11094 C CB . TYR B 2 775 ? -14.152 -43.486 42.984 1.00 45.81 ? 1453 TYR A CB 1 ATOM 11095 C CG . TYR B 2 775 ? -13.463 -43.901 41.706 1.00 52.63 ? 1453 TYR A CG 1 ATOM 11096 C CD1 . TYR B 2 775 ? -14.061 -43.691 40.469 1.00 55.06 ? 1453 TYR A CD1 1 ATOM 11097 C CD2 . TYR B 2 775 ? -12.214 -44.505 41.736 1.00 53.30 ? 1453 TYR A CD2 1 ATOM 11098 C CE1 . TYR B 2 775 ? -13.431 -44.071 39.301 1.00 58.77 ? 1453 TYR A CE1 1 ATOM 11099 C CE2 . TYR B 2 775 ? -11.579 -44.888 40.574 1.00 54.52 ? 1453 TYR A CE2 1 ATOM 11100 C CZ . TYR B 2 775 ? -12.190 -44.670 39.360 1.00 60.07 ? 1453 TYR A CZ 1 ATOM 11101 O OH . TYR B 2 775 ? -11.553 -45.052 38.201 1.00 63.99 ? 1453 TYR A OH 1 ATOM 11102 N N . GLN B 2 776 ? -11.689 -41.682 43.475 1.00 35.86 ? 1454 GLN A N 1 ATOM 11103 C CA . GLN B 2 776 ? -10.349 -41.316 43.041 1.00 34.75 ? 1454 GLN A CA 1 ATOM 11104 C C . GLN B 2 776 ? -9.334 -42.093 43.862 1.00 39.63 ? 1454 GLN A C 1 ATOM 11105 O O . GLN B 2 776 ? -9.626 -42.555 44.967 1.00 42.18 ? 1454 GLN A O 1 ATOM 11106 C CB . GLN B 2 776 ? -10.100 -39.815 43.177 1.00 33.02 ? 1454 GLN A CB 1 ATOM 11107 C CG . GLN B 2 776 ? -10.287 -39.288 44.579 1.00 39.67 ? 1454 GLN A CG 1 ATOM 11108 C CD . GLN B 2 776 ? -10.170 -37.785 44.632 1.00 46.45 ? 1454 GLN A CD 1 ATOM 11109 O OE1 . GLN B 2 776 ? -9.079 -37.231 44.491 1.00 47.07 ? 1454 GLN A OE1 1 ATOM 11110 N NE2 . GLN B 2 776 ? -11.298 -37.111 44.820 1.00 52.07 ? 1454 GLN A NE2 1 ATOM 11111 N N . ILE B 2 777 ? -8.138 -42.236 43.302 1.00 39.16 ? 1455 ILE A N 1 ATOM 11112 C CA . ILE B 2 777 ? -7.004 -42.824 44.000 1.00 38.39 ? 1455 ILE A CA 1 ATOM 11113 C C . ILE B 2 777 ? -5.905 -41.776 44.014 1.00 40.48 ? 1455 ILE A C 1 ATOM 11114 O O . ILE B 2 777 ? -5.367 -41.418 42.960 1.00 49.46 ? 1455 ILE A O 1 ATOM 11115 C CB . ILE B 2 777 ? -6.520 -44.126 43.348 1.00 38.90 ? 1455 ILE A CB 1 ATOM 11116 C CG1 . ILE B 2 777 ? -7.546 -45.244 43.531 1.00 42.66 ? 1455 ILE A CG1 1 ATOM 11117 C CG2 . ILE B 2 777 ? -5.205 -44.556 43.957 1.00 38.55 ? 1455 ILE A CG2 1 ATOM 11118 C CD1 . ILE B 2 777 ? -8.568 -45.317 42.431 1.00 48.09 ? 1455 ILE A CD1 1 ATOM 11119 N N . LYS B 2 778 ? -5.576 -41.275 45.201 1.00 39.43 ? 1456 LYS A N 1 ATOM 11120 C CA . LYS B 2 778 ? -4.581 -40.222 45.362 1.00 39.76 ? 1456 LYS A CA 1 ATOM 11121 C C . LYS B 2 778 ? -3.635 -40.606 46.488 1.00 43.50 ? 1456 LYS A C 1 ATOM 11122 O O . LYS B 2 778 ? -4.076 -40.821 47.622 1.00 46.29 ? 1456 LYS A O 1 ATOM 11123 C CB . LYS B 2 778 ? -5.247 -38.874 45.655 1.00 37.82 ? 1456 LYS A CB 1 ATOM 11124 C CG . LYS B 2 778 ? -4.267 -37.729 45.863 1.00 42.00 ? 1456 LYS A CG 1 ATOM 11125 C CD . LYS B 2 778 ? -4.994 -36.404 46.053 1.00 50.28 ? 1456 LYS A CD 1 ATOM 11126 C CE . LYS B 2 778 ? -4.022 -35.270 46.355 1.00 55.82 ? 1456 LYS A CE 1 ATOM 11127 N NZ . LYS B 2 778 ? -3.015 -35.094 45.273 1.00 61.07 ? 1456 LYS A NZ 1 ATOM 11128 N N . ASP B 2 779 ? -2.344 -40.699 46.171 1.00 44.43 ? 1457 ASP A N 1 ATOM 11129 C CA . ASP B 2 779 ? -1.283 -40.894 47.160 1.00 46.49 ? 1457 ASP A CA 1 ATOM 11130 C C . ASP B 2 779 ? -1.559 -42.096 48.060 1.00 45.16 ? 1457 ASP A C 1 ATOM 11131 O O . ASP B 2 779 ? -1.453 -42.025 49.285 1.00 46.47 ? 1457 ASP A O 1 ATOM 11132 C CB . ASP B 2 779 ? -1.079 -39.627 47.989 1.00 49.95 ? 1457 ASP A CB 1 ATOM 11133 C CG . ASP B 2 779 ? -0.807 -38.411 47.134 1.00 57.83 ? 1457 ASP A CG 1 ATOM 11134 O OD1 . ASP B 2 779 ? -0.246 -38.573 46.030 1.00 62.34 ? 1457 ASP A OD1 1 ATOM 11135 O OD2 . ASP B 2 779 ? -1.157 -37.293 47.564 1.00 63.04 ? 1457 ASP A OD2 1 ATOM 11136 N N . GLY B 2 780 ? -1.915 -43.215 47.436 1.00 47.62 ? 1458 GLY A N 1 ATOM 11137 C CA . GLY B 2 780 ? -2.188 -44.436 48.168 1.00 41.70 ? 1458 GLY A CA 1 ATOM 11138 C C . GLY B 2 780 ? -3.514 -44.470 48.889 1.00 44.35 ? 1458 GLY A C 1 ATOM 11139 O O . GLY B 2 780 ? -3.742 -45.376 49.697 1.00 49.68 ? 1458 GLY A O 1 ATOM 11140 N N . HIS B 2 781 ? -4.398 -43.513 48.625 1.00 41.56 ? 1459 HIS A N 1 ATOM 11141 C CA . HIS B 2 781 ? -5.709 -43.449 49.253 1.00 42.22 ? 1459 HIS A CA 1 ATOM 11142 C C . HIS B 2 781 ? -6.796 -43.675 48.213 1.00 43.53 ? 1459 HIS A C 1 ATOM 11143 O O . HIS B 2 781 ? -6.722 -43.151 47.096 1.00 45.87 ? 1459 HIS A O 1 ATOM 11144 C CB . HIS B 2 781 ? -5.928 -42.102 49.943 1.00 40.84 ? 1459 HIS A CB 1 ATOM 11145 C CG . HIS B 2 781 ? -5.093 -41.911 51.169 1.00 42.92 ? 1459 HIS A CG 1 ATOM 11146 N ND1 . HIS B 2 781 ? -5.638 -41.776 52.427 1.00 41.61 ? 1459 HIS A ND1 1 ATOM 11147 C CD2 . HIS B 2 781 ? -3.750 -41.842 51.331 1.00 46.93 ? 1459 HIS A CD2 1 ATOM 11148 C CE1 . HIS B 2 781 ? -4.668 -41.628 53.311 1.00 46.29 ? 1459 HIS A CE1 1 ATOM 11149 N NE2 . HIS B 2 781 ? -3.513 -41.664 52.672 1.00 48.35 ? 1459 HIS A NE2 1 ATOM 11150 N N . VAL B 2 782 ? -7.796 -44.464 48.590 1.00 38.38 ? 1460 VAL A N 1 ATOM 11151 C CA . VAL B 2 782 ? -9.013 -44.643 47.807 1.00 34.75 ? 1460 VAL A CA 1 ATOM 11152 C C . VAL B 2 782 ? -10.069 -43.732 48.421 1.00 38.11 ? 1460 VAL A C 1 ATOM 11153 O O . VAL B 2 782 ? -10.580 -44.008 49.510 1.00 38.73 ? 1460 VAL A O 1 ATOM 11154 C CB . VAL B 2 782 ? -9.465 -46.106 47.797 1.00 33.36 ? 1460 VAL A CB 1 ATOM 11155 C CG1 . VAL B 2 782 ? -10.736 -46.284 46.972 1.00 29.32 ? 1460 VAL A CG1 1 ATOM 11156 C CG2 . VAL B 2 782 ? -8.346 -46.990 47.274 1.00 32.57 ? 1460 VAL A CG2 1 ATOM 11157 N N . ILE B 2 783 ? -10.384 -42.638 47.737 1.00 37.53 ? 1461 ILE A N 1 ATOM 11158 C CA . ILE B 2 783 ? -11.292 -41.619 48.244 1.00 35.32 ? 1461 ILE A CA 1 ATOM 11159 C C . ILE B 2 783 ? -12.584 -41.696 47.444 1.00 35.93 ? 1461 ILE A C 1 ATOM 11160 O O . ILE B 2 783 ? -12.597 -41.423 46.236 1.00 42.65 ? 1461 ILE A O 1 ATOM 11161 C CB . ILE B 2 783 ? -10.676 -40.217 48.163 1.00 37.54 ? 1461 ILE A CB 1 ATOM 11162 C CG1 . ILE B 2 783 ? -9.413 -40.139 49.016 1.00 38.30 ? 1461 ILE A CG1 1 ATOM 11163 C CG2 . ILE B 2 783 ? -11.672 -39.174 48.623 1.00 39.14 ? 1461 ILE A CG2 1 ATOM 11164 C CD1 . ILE B 2 783 ? -8.724 -38.802 48.928 1.00 38.98 ? 1461 ILE A CD1 1 ATOM 11165 N N . LEU B 2 784 ? -13.670 -42.061 48.115 1.00 32.64 ? 1462 LEU A N 1 ATOM 11166 C CA . LEU B 2 784 ? -14.999 -42.104 47.527 1.00 34.88 ? 1462 LEU A CA 1 ATOM 11167 C C . LEU B 2 784 ? -15.855 -40.993 48.119 1.00 37.21 ? 1462 LEU A C 1 ATOM 11168 O O . LEU B 2 784 ? -15.701 -40.625 49.286 1.00 39.27 ? 1462 LEU A O 1 ATOM 11169 C CB . LEU B 2 784 ? -15.666 -43.458 47.774 1.00 34.26 ? 1462 LEU A CB 1 ATOM 11170 C CG . LEU B 2 784 ? -14.805 -44.669 47.415 1.00 43.14 ? 1462 LEU A CG 1 ATOM 11171 C CD1 . LEU B 2 784 ? -14.923 -45.741 48.489 1.00 44.04 ? 1462 LEU A CD1 1 ATOM 11172 C CD2 . LEU B 2 784 ? -15.185 -45.220 46.047 1.00 45.08 ? 1462 LEU A CD2 1 ATOM 11173 N N . GLN B 2 785 ? -16.752 -40.448 47.307 1.00 35.47 ? 1463 GLN A N 1 ATOM 11174 C CA . GLN B 2 785 ? -17.683 -39.444 47.786 1.00 34.49 ? 1463 GLN A CA 1 ATOM 11175 C C . GLN B 2 785 ? -19.108 -39.916 47.545 1.00 36.62 ? 1463 GLN A C 1 ATOM 11176 O O . GLN B 2 785 ? -19.366 -40.809 46.736 1.00 41.53 ? 1463 GLN A O 1 ATOM 11177 C CB . GLN B 2 785 ? -17.429 -38.083 47.130 1.00 28.24 ? 1463 GLN A CB 1 ATOM 11178 C CG . GLN B 2 785 ? -16.261 -37.335 47.760 1.00 33.50 ? 1463 GLN A CG 1 ATOM 11179 C CD . GLN B 2 785 ? -15.944 -36.032 47.058 1.00 39.57 ? 1463 GLN A CD 1 ATOM 11180 O OE1 . GLN B 2 785 ? -16.507 -34.986 47.380 1.00 42.58 ? 1463 GLN A OE1 1 ATOM 11181 N NE2 . GLN B 2 785 ? -15.031 -36.088 46.094 1.00 40.72 ? 1463 GLN A NE2 1 ATOM 11182 N N . LEU B 2 786 ? -20.038 -39.308 48.271 1.00 41.22 ? 1464 LEU A N 1 ATOM 11183 C CA . LEU B 2 786 ? -21.367 -39.877 48.412 1.00 40.38 ? 1464 LEU A CA 1 ATOM 11184 C C . LEU B 2 786 ? -22.360 -38.762 48.707 1.00 40.80 ? 1464 LEU A C 1 ATOM 11185 O O . LEU B 2 786 ? -22.027 -37.780 49.377 1.00 42.22 ? 1464 LEU A O 1 ATOM 11186 C CB . LEU B 2 786 ? -21.360 -40.927 49.532 1.00 44.22 ? 1464 LEU A CB 1 ATOM 11187 C CG . LEU B 2 786 ? -22.473 -41.955 49.543 1.00 50.53 ? 1464 LEU A CG 1 ATOM 11188 C CD1 . LEU B 2 786 ? -22.632 -42.425 48.138 1.00 59.32 ? 1464 LEU A CD1 1 ATOM 11189 C CD2 . LEU B 2 786 ? -22.107 -43.114 50.440 1.00 51.80 ? 1464 LEU A CD2 1 ATOM 11190 N N . ASN B 2 787 ? -23.586 -38.913 48.197 1.00 38.53 ? 1465 ASN A N 1 ATOM 11191 C CA . ASN B 2 787 ? -24.616 -37.921 48.500 1.00 41.04 ? 1465 ASN A CA 1 ATOM 11192 C C . ASN B 2 787 ? -25.096 -38.026 49.940 1.00 44.95 ? 1465 ASN A C 1 ATOM 11193 O O . ASN B 2 787 ? -25.423 -37.006 50.558 1.00 47.03 ? 1465 ASN A O 1 ATOM 11194 C CB . ASN B 2 787 ? -25.803 -38.070 47.551 1.00 42.94 ? 1465 ASN A CB 1 ATOM 11195 C CG . ASN B 2 787 ? -25.596 -37.344 46.246 1.00 45.01 ? 1465 ASN A CG 1 ATOM 11196 O OD1 . ASN B 2 787 ? -24.694 -36.517 46.120 1.00 47.66 ? 1465 ASN A OD1 1 ATOM 11197 N ND2 . ASN B 2 787 ? -26.439 -37.640 45.265 1.00 43.74 ? 1465 ASN A ND2 1 ATOM 11198 N N . SER B 2 788 ? -25.152 -39.242 50.482 1.00 44.96 ? 1466 SER A N 1 ATOM 11199 C CA . SER B 2 788 ? -25.667 -39.495 51.820 1.00 47.08 ? 1466 SER A CA 1 ATOM 11200 C C . SER B 2 788 ? -25.272 -40.900 52.244 1.00 44.87 ? 1466 SER A C 1 ATOM 11201 O O . SER B 2 788 ? -25.304 -41.828 51.432 1.00 47.72 ? 1466 SER A O 1 ATOM 11202 C CB . SER B 2 788 ? -27.195 -39.342 51.867 1.00 51.09 ? 1466 SER A CB 1 ATOM 11203 O OG . SER B 2 788 ? -27.710 -39.695 53.142 1.00 53.30 ? 1466 SER A OG 1 ATOM 11204 N N . ILE B 2 789 ? -24.897 -41.043 53.506 1.00 41.45 ? 1467 ILE A N 1 ATOM 11205 C CA . ILE B 2 789 ? -24.656 -42.342 54.130 1.00 43.78 ? 1467 ILE A CA 1 ATOM 11206 C C . ILE B 2 789 ? -25.843 -42.652 55.031 1.00 46.43 ? 1467 ILE A C 1 ATOM 11207 O O . ILE B 2 789 ? -26.225 -41.804 55.844 1.00 46.91 ? 1467 ILE A O 1 ATOM 11208 C CB . ILE B 2 789 ? -23.341 -42.363 54.932 1.00 36.98 ? 1467 ILE A CB 1 ATOM 11209 C CG1 . ILE B 2 789 ? -22.147 -42.255 53.985 1.00 31.05 ? 1467 ILE A CG1 1 ATOM 11210 C CG2 . ILE B 2 789 ? -23.239 -43.630 55.750 1.00 38.04 ? 1467 ILE A CG2 1 ATOM 11211 C CD1 . ILE B 2 789 ? -20.807 -42.362 54.675 1.00 35.30 ? 1467 ILE A CD1 1 ATOM 11212 N N . PRO B 2 790 ? -26.450 -43.830 54.917 1.00 50.41 ? 1468 PRO A N 1 ATOM 11213 C CA . PRO B 2 790 ? -27.683 -44.107 55.659 1.00 49.40 ? 1468 PRO A CA 1 ATOM 11214 C C . PRO B 2 790 ? -27.439 -44.233 57.155 1.00 49.47 ? 1468 PRO A C 1 ATOM 11215 O O . PRO B 2 790 ? -26.337 -44.541 57.617 1.00 41.93 ? 1468 PRO A O 1 ATOM 11216 C CB . PRO B 2 790 ? -28.163 -45.443 55.074 1.00 53.04 ? 1468 PRO A CB 1 ATOM 11217 C CG . PRO B 2 790 ? -27.363 -45.641 53.812 1.00 55.28 ? 1468 PRO A CG 1 ATOM 11218 C CD . PRO B 2 790 ? -26.065 -44.949 54.041 1.00 52.06 ? 1468 PRO A CD 1 ATOM 11219 N N . SER B 2 791 ? -28.507 -43.980 57.913 1.00 57.74 ? 1469 SER A N 1 ATOM 11220 C CA . SER B 2 791 ? -28.549 -44.252 59.344 1.00 60.21 ? 1469 SER A CA 1 ATOM 11221 C C . SER B 2 791 ? -29.154 -45.608 59.662 1.00 62.99 ? 1469 SER A C 1 ATOM 11222 O O . SER B 2 791 ? -28.738 -46.251 60.630 1.00 65.76 ? 1469 SER A O 1 ATOM 11223 C CB . SER B 2 791 ? -29.359 -43.173 60.074 1.00 62.33 ? 1469 SER A CB 1 ATOM 11224 O OG . SER B 2 791 ? -28.777 -41.891 59.921 1.00 71.72 ? 1469 SER A OG 1 ATOM 11225 N N . SER B 2 792 ? -30.121 -46.051 58.857 1.00 62.23 ? 1470 SER A N 1 ATOM 11226 C CA . SER B 2 792 ? -30.854 -47.272 59.166 1.00 61.98 ? 1470 SER A CA 1 ATOM 11227 C C . SER B 2 792 ? -29.976 -48.507 59.022 1.00 60.99 ? 1470 SER A C 1 ATOM 11228 O O . SER B 2 792 ? -30.087 -49.449 59.815 1.00 63.40 ? 1470 SER A O 1 ATOM 11229 C CB . SER B 2 792 ? -32.075 -47.379 58.259 1.00 63.26 ? 1470 SER A CB 1 ATOM 11230 O OG . SER B 2 792 ? -31.680 -47.298 56.902 1.00 63.18 ? 1470 SER A OG 1 ATOM 11231 N N . ASP B 2 793 ? -29.098 -48.526 58.021 1.00 58.89 ? 1471 ASP A N 1 ATOM 11232 C CA . ASP B 2 793 ? -28.312 -49.712 57.722 1.00 59.08 ? 1471 ASP A CA 1 ATOM 11233 C C . ASP B 2 793 ? -26.905 -49.292 57.305 1.00 47.01 ? 1471 ASP A C 1 ATOM 11234 O O . ASP B 2 793 ? -26.585 -48.106 57.226 1.00 46.17 ? 1471 ASP A O 1 ATOM 11235 C CB . ASP B 2 793 ? -28.997 -50.554 56.640 1.00 69.66 ? 1471 ASP A CB 1 ATOM 11236 C CG . ASP B 2 793 ? -28.677 -52.031 56.761 1.00 80.78 ? 1471 ASP A CG 1 ATOM 11237 O OD1 . ASP B 2 793 ? -27.671 -52.369 57.423 1.00 82.06 ? 1471 ASP A OD1 1 ATOM 11238 O OD2 . ASP B 2 793 ? -29.426 -52.853 56.190 1.00 85.59 ? 1471 ASP A OD2 1 ATOM 11239 N N . PHE B 2 794 ? -26.055 -50.285 57.063 1.00 45.58 ? 1472 PHE A N 1 ATOM 11240 C CA . PHE B 2 794 ? -24.694 -50.046 56.611 1.00 46.97 ? 1472 PHE A CA 1 ATOM 11241 C C . PHE B 2 794 ? -24.648 -49.880 55.099 1.00 50.15 ? 1472 PHE A C 1 ATOM 11242 O O . PHE B 2 794 ? -25.465 -50.445 54.367 1.00 55.49 ? 1472 PHE A O 1 ATOM 11243 C CB . PHE B 2 794 ? -23.781 -51.208 57.000 1.00 50.35 ? 1472 PHE A CB 1 ATOM 11244 C CG . PHE B 2 794 ? -23.200 -51.104 58.373 1.00 46.49 ? 1472 PHE A CG 1 ATOM 11245 C CD1 . PHE B 2 794 ? -23.770 -51.783 59.431 1.00 47.42 ? 1472 PHE A CD1 1 ATOM 11246 C CD2 . PHE B 2 794 ? -22.064 -50.347 58.599 1.00 47.68 ? 1472 PHE A CD2 1 ATOM 11247 C CE1 . PHE B 2 794 ? -23.225 -51.700 60.696 1.00 52.38 ? 1472 PHE A CE1 1 ATOM 11248 C CE2 . PHE B 2 794 ? -21.514 -50.258 59.856 1.00 52.74 ? 1472 PHE A CE2 1 ATOM 11249 C CZ . PHE B 2 794 ? -22.096 -50.937 60.911 1.00 53.10 ? 1472 PHE A CZ 1 ATOM 11250 N N . LEU B 2 795 ? -23.666 -49.111 54.632 1.00 44.72 ? 1473 LEU A N 1 ATOM 11251 C CA . LEU B 2 795 ? -23.361 -48.995 53.211 1.00 39.20 ? 1473 LEU A CA 1 ATOM 11252 C C . LEU B 2 795 ? -21.904 -49.381 53.003 1.00 41.23 ? 1473 LEU A C 1 ATOM 11253 O O . LEU B 2 795 ? -21.022 -48.883 53.713 1.00 39.55 ? 1473 LEU A O 1 ATOM 11254 C CB . LEU B 2 795 ? -23.634 -47.577 52.704 1.00 33.90 ? 1473 LEU A CB 1 ATOM 11255 C CG . LEU B 2 795 ? -23.523 -47.312 51.205 1.00 35.75 ? 1473 LEU A CG 1 ATOM 11256 C CD1 . LEU B 2 795 ? -24.541 -46.267 50.788 1.00 35.62 ? 1473 LEU A CD1 1 ATOM 11257 C CD2 . LEU B 2 795 ? -22.125 -46.851 50.849 1.00 37.30 ? 1473 LEU A CD2 1 ATOM 11258 N N . CYS B 2 796 ? -21.652 -50.263 52.032 1.00 45.07 ? 1474 CYS A N 1 ATOM 11259 C CA . CYS B 2 796 ? -20.345 -50.894 51.880 1.00 49.75 ? 1474 CYS A CA 1 ATOM 11260 C C . CYS B 2 796 ? -19.787 -50.679 50.482 1.00 52.08 ? 1474 CYS A C 1 ATOM 11261 O O . CYS B 2 796 ? -20.473 -50.935 49.487 1.00 52.65 ? 1474 CYS A O 1 ATOM 11262 C CB . CYS B 2 796 ? -20.433 -52.393 52.162 1.00 55.17 ? 1474 CYS A CB 1 ATOM 11263 S SG . CYS B 2 796 ? -21.217 -52.793 53.728 1.00 66.65 ? 1474 CYS A SG 1 ATOM 11264 N N . VAL B 2 797 ? -18.542 -50.225 50.414 1.00 49.24 ? 1475 VAL A N 1 ATOM 11265 C CA . VAL B 2 797 ? -17.767 -50.243 49.183 1.00 44.63 ? 1475 VAL A CA 1 ATOM 11266 C C . VAL B 2 797 ? -16.969 -51.535 49.147 1.00 51.24 ? 1475 VAL A C 1 ATOM 11267 O O . VAL B 2 797 ? -16.369 -51.937 50.151 1.00 53.66 ? 1475 VAL A O 1 ATOM 11268 C CB . VAL B 2 797 ? -16.840 -49.023 49.090 1.00 45.23 ? 1475 VAL A CB 1 ATOM 11269 C CG1 . VAL B 2 797 ? -16.002 -48.896 50.346 1.00 44.26 ? 1475 VAL A CG1 1 ATOM 11270 C CG2 . VAL B 2 797 ? -15.948 -49.141 47.868 1.00 50.40 ? 1475 VAL A CG2 1 ATOM 11271 N N . ARG B 2 798 ? -16.976 -52.199 47.996 1.00 53.53 ? 1476 ARG A N 1 ATOM 11272 C CA . ARG B 2 798 ? -16.295 -53.474 47.826 1.00 52.14 ? 1476 ARG A CA 1 ATOM 11273 C C . ARG B 2 798 ? -15.420 -53.375 46.590 1.00 51.20 ? 1476 ARG A C 1 ATOM 11274 O O . ARG B 2 798 ? -15.923 -53.119 45.491 1.00 52.71 ? 1476 ARG A O 1 ATOM 11275 C CB . ARG B 2 798 ? -17.307 -54.617 47.702 1.00 57.44 ? 1476 ARG A CB 1 ATOM 11276 C CG . ARG B 2 798 ? -18.379 -54.601 48.788 1.00 69.03 ? 1476 ARG A CG 1 ATOM 11277 C CD . ARG B 2 798 ? -19.223 -55.869 48.786 1.00 83.82 ? 1476 ARG A CD 1 ATOM 11278 N NE . ARG B 2 798 ? -20.088 -55.943 49.963 1.00 96.28 ? 1476 ARG A NE 1 ATOM 11279 C CZ . ARG B 2 798 ? -20.752 -57.032 50.345 1.00 107.46 ? 1476 ARG A CZ 1 ATOM 11280 N NH1 . ARG B 2 798 ? -20.656 -58.155 49.646 1.00 115.76 ? 1476 ARG A NH1 1 ATOM 11281 N NH2 . ARG B 2 798 ? -21.511 -56.999 51.431 1.00 109.07 ? 1476 ARG A NH2 1 ATOM 11282 N N . PHE B 2 799 ? -14.113 -53.555 46.765 1.00 46.59 ? 1477 PHE A N 1 ATOM 11283 C CA . PHE B 2 799 ? -13.221 -53.489 45.616 1.00 43.26 ? 1477 PHE A CA 1 ATOM 11284 C C . PHE B 2 799 ? -12.050 -54.435 45.823 1.00 45.90 ? 1477 PHE A C 1 ATOM 11285 O O . PHE B 2 799 ? -11.501 -54.527 46.923 1.00 51.01 ? 1477 PHE A O 1 ATOM 11286 C CB . PHE B 2 799 ? -12.721 -52.061 45.366 1.00 42.14 ? 1477 PHE A CB 1 ATOM 11287 C CG . PHE B 2 799 ? -11.954 -51.470 46.514 1.00 42.27 ? 1477 PHE A CG 1 ATOM 11288 C CD1 . PHE B 2 799 ? -12.609 -50.765 47.509 1.00 44.69 ? 1477 PHE A CD1 1 ATOM 11289 C CD2 . PHE B 2 799 ? -10.577 -51.602 46.585 1.00 40.79 ? 1477 PHE A CD2 1 ATOM 11290 C CE1 . PHE B 2 799 ? -11.908 -50.212 48.561 1.00 46.39 ? 1477 PHE A CE1 1 ATOM 11291 C CE2 . PHE B 2 799 ? -9.870 -51.055 47.634 1.00 42.64 ? 1477 PHE A CE2 1 ATOM 11292 C CZ . PHE B 2 799 ? -10.536 -50.358 48.624 1.00 46.84 ? 1477 PHE A CZ 1 ATOM 11293 N N . ARG B 2 800 ? -11.674 -55.133 44.757 1.00 47.21 ? 1478 ARG A N 1 ATOM 11294 C CA . ARG B 2 800 ? -10.581 -56.087 44.842 1.00 49.48 ? 1478 ARG A CA 1 ATOM 11295 C C . ARG B 2 800 ? -9.250 -55.361 44.996 1.00 44.90 ? 1478 ARG A C 1 ATOM 11296 O O . ARG B 2 800 ? -9.090 -54.208 44.585 1.00 40.87 ? 1478 ARG A O 1 ATOM 11297 C CB . ARG B 2 800 ? -10.561 -56.989 43.607 1.00 50.09 ? 1478 ARG A CB 1 ATOM 11298 C CG . ARG B 2 800 ? -11.755 -57.925 43.528 1.00 53.26 ? 1478 ARG A CG 1 ATOM 11299 C CD . ARG B 2 800 ? -11.616 -58.898 42.379 1.00 58.48 ? 1478 ARG A CD 1 ATOM 11300 N NE . ARG B 2 800 ? -11.553 -58.206 41.098 1.00 64.15 ? 1478 ARG A NE 1 ATOM 11301 C CZ . ARG B 2 800 ? -12.609 -57.972 40.330 1.00 70.51 ? 1478 ARG A CZ 1 ATOM 11302 N NH1 . ARG B 2 800 ? -13.813 -58.381 40.713 1.00 76.25 ? 1478 ARG A NH1 1 ATOM 11303 N NH2 . ARG B 2 800 ? -12.461 -57.332 39.178 1.00 68.54 ? 1478 ARG A NH2 1 ATOM 11304 N N . ILE B 2 801 ? -8.294 -56.048 45.618 1.00 44.85 ? 1479 ILE A N 1 ATOM 11305 C CA . ILE B 2 801 ? -6.961 -55.514 45.855 1.00 43.37 ? 1479 ILE A CA 1 ATOM 11306 C C . ILE B 2 801 ? -5.948 -56.575 45.466 1.00 50.36 ? 1479 ILE A C 1 ATOM 11307 O O . ILE B 2 801 ? -6.231 -57.776 45.507 1.00 57.24 ? 1479 ILE A O 1 ATOM 11308 C CB . ILE B 2 801 ? -6.745 -55.097 47.325 1.00 38.01 ? 1479 ILE A CB 1 ATOM 11309 C CG1 . ILE B 2 801 ? -6.969 -56.305 48.243 1.00 33.87 ? 1479 ILE A CG1 1 ATOM 11310 C CG2 . ILE B 2 801 ? -7.643 -53.926 47.692 1.00 32.56 ? 1479 ILE A CG2 1 ATOM 11311 C CD1 . ILE B 2 801 ? -6.665 -56.045 49.698 1.00 37.97 ? 1479 ILE A CD1 1 ATOM 11312 N N . PHE B 2 802 ? -4.755 -56.122 45.091 1.00 49.82 ? 1480 PHE A N 1 ATOM 11313 C CA . PHE B 2 802 ? -3.659 -57.026 44.786 1.00 53.56 ? 1480 PHE A CA 1 ATOM 11314 C C . PHE B 2 802 ? -2.372 -56.452 45.352 1.00 52.59 ? 1480 PHE A C 1 ATOM 11315 O O . PHE B 2 802 ? -2.269 -55.255 45.630 1.00 52.94 ? 1480 PHE A O 1 ATOM 11316 C CB . PHE B 2 802 ? -3.519 -57.283 43.276 1.00 58.79 ? 1480 PHE A CB 1 ATOM 11317 C CG . PHE B 2 802 ? -3.386 -56.034 42.443 1.00 61.48 ? 1480 PHE A CG 1 ATOM 11318 C CD1 . PHE B 2 802 ? -2.137 -55.548 42.087 1.00 63.68 ? 1480 PHE A CD1 1 ATOM 11319 C CD2 . PHE B 2 802 ? -4.512 -55.363 41.991 1.00 61.07 ? 1480 PHE A CD2 1 ATOM 11320 C CE1 . PHE B 2 802 ? -2.015 -54.405 41.307 1.00 64.50 ? 1480 PHE A CE1 1 ATOM 11321 C CE2 . PHE B 2 802 ? -4.397 -54.220 41.213 1.00 62.49 ? 1480 PHE A CE2 1 ATOM 11322 C CZ . PHE B 2 802 ? -3.148 -53.741 40.870 1.00 62.97 ? 1480 PHE A CZ 1 ATOM 11323 N N . GLU B 2 803 ? -1.389 -57.328 45.526 1.00 53.06 ? 1481 GLU A N 1 ATOM 11324 C CA . GLU B 2 803 ? -0.116 -56.951 46.119 1.00 55.73 ? 1481 GLU A CA 1 ATOM 11325 C C . GLU B 2 803 ? 0.824 -56.486 45.014 1.00 53.86 ? 1481 GLU A C 1 ATOM 11326 O O . GLU B 2 803 ? 1.165 -57.259 44.113 1.00 57.95 ? 1481 GLU A O 1 ATOM 11327 C CB . GLU B 2 803 ? 0.476 -58.122 46.900 1.00 63.81 ? 1481 GLU A CB 1 ATOM 11328 C CG . GLU B 2 803 ? 1.448 -57.716 47.995 1.00 76.65 ? 1481 GLU A CG 1 ATOM 11329 C CD . GLU B 2 803 ? 1.635 -58.800 49.042 1.00 89.82 ? 1481 GLU A CD 1 ATOM 11330 O OE1 . GLU B 2 803 ? 0.929 -59.829 48.970 1.00 94.22 ? 1481 GLU A OE1 1 ATOM 11331 O OE2 . GLU B 2 803 ? 2.486 -58.623 49.940 1.00 93.66 ? 1481 GLU A OE2 1 ATOM 11332 N N . LEU B 2 804 ? 1.224 -55.217 45.077 1.00 50.45 ? 1482 LEU A N 1 ATOM 11333 C CA . LEU B 2 804 ? 2.127 -54.654 44.080 1.00 46.93 ? 1482 LEU A CA 1 ATOM 11334 C C . LEU B 2 804 ? 3.558 -55.119 44.321 1.00 51.65 ? 1482 LEU A C 1 ATOM 11335 O O . LEU B 2 804 ? 4.202 -55.679 43.428 1.00 56.69 ? 1482 LEU A O 1 ATOM 11336 C CB . LEU B 2 804 ? 2.037 -53.127 44.106 1.00 48.49 ? 1482 LEU A CB 1 ATOM 11337 C CG . LEU B 2 804 ? 2.525 -52.391 42.862 1.00 53.53 ? 1482 LEU A CG 1 ATOM 11338 C CD1 . LEU B 2 804 ? 1.629 -52.733 41.684 1.00 55.56 ? 1482 LEU A CD1 1 ATOM 11339 C CD2 . LEU B 2 804 ? 2.572 -50.886 43.098 1.00 49.88 ? 1482 LEU A CD2 1 ATOM 11340 N N . PHE B 2 805 ? 4.073 -54.893 45.527 1.00 50.17 ? 1483 PHE A N 1 ATOM 11341 C CA . PHE B 2 805 ? 5.384 -55.392 45.914 1.00 45.37 ? 1483 PHE A CA 1 ATOM 11342 C C . PHE B 2 805 ? 5.297 -55.960 47.323 1.00 43.88 ? 1483 PHE A C 1 ATOM 11343 O O . PHE B 2 805 ? 4.363 -55.673 48.075 1.00 46.89 ? 1483 PHE A O 1 ATOM 11344 C CB . PHE B 2 805 ? 6.458 -54.300 45.837 1.00 45.02 ? 1483 PHE A CB 1 ATOM 11345 C CG . PHE B 2 805 ? 6.088 -53.031 46.547 1.00 43.97 ? 1483 PHE A CG 1 ATOM 11346 C CD1 . PHE B 2 805 ? 6.313 -52.887 47.911 1.00 45.75 ? 1483 PHE A CD1 1 ATOM 11347 C CD2 . PHE B 2 805 ? 5.524 -51.976 45.852 1.00 39.40 ? 1483 PHE A CD2 1 ATOM 11348 C CE1 . PHE B 2 805 ? 5.975 -51.715 48.565 1.00 44.63 ? 1483 PHE A CE1 1 ATOM 11349 C CE2 . PHE B 2 805 ? 5.184 -50.802 46.501 1.00 43.24 ? 1483 PHE A CE2 1 ATOM 11350 C CZ . PHE B 2 805 ? 5.409 -50.670 47.858 1.00 43.55 ? 1483 PHE A CZ 1 ATOM 11351 N N . GLU B 2 806 ? 6.289 -56.769 47.676 1.00 44.57 ? 1484 GLU A N 1 ATOM 11352 C CA . GLU B 2 806 ? 6.265 -57.456 48.959 1.00 50.28 ? 1484 GLU A CA 1 ATOM 11353 C C . GLU B 2 806 ? 6.597 -56.497 50.096 1.00 45.04 ? 1484 GLU A C 1 ATOM 11354 O O . GLU B 2 806 ? 7.512 -55.676 49.996 1.00 41.81 ? 1484 GLU A O 1 ATOM 11355 C CB . GLU B 2 806 ? 7.243 -58.631 48.949 1.00 58.54 ? 1484 GLU A CB 1 ATOM 11356 C CG . GLU B 2 806 ? 6.884 -59.714 47.940 1.00 71.27 ? 1484 GLU A CG 1 ATOM 11357 C CD . GLU B 2 806 ? 7.935 -60.804 47.845 1.00 85.44 ? 1484 GLU A CD 1 ATOM 11358 O OE1 . GLU B 2 806 ? 8.958 -60.712 48.556 1.00 87.95 ? 1484 GLU A OE1 1 ATOM 11359 O OE2 . GLU B 2 806 ? 7.737 -61.752 47.055 1.00 91.79 ? 1484 GLU A OE2 1 ATOM 11360 N N . VAL B 2 807 ? 5.840 -56.601 51.185 1.00 44.00 ? 1485 VAL A N 1 ATOM 11361 C CA . VAL B 2 807 ? 6.056 -55.788 52.375 1.00 44.74 ? 1485 VAL A CA 1 ATOM 11362 C C . VAL B 2 807 ? 6.038 -56.697 53.597 1.00 45.89 ? 1485 VAL A C 1 ATOM 11363 O O . VAL B 2 807 ? 5.081 -57.454 53.797 1.00 46.09 ? 1485 VAL A O 1 ATOM 11364 C CB . VAL B 2 807 ? 4.993 -54.683 52.518 1.00 39.70 ? 1485 VAL A CB 1 ATOM 11365 C CG1 . VAL B 2 807 ? 5.225 -53.912 53.797 1.00 36.70 ? 1485 VAL A CG1 1 ATOM 11366 C CG2 . VAL B 2 807 ? 5.019 -53.756 51.320 1.00 38.79 ? 1485 VAL A CG2 1 ATOM 11367 N N . GLY B 2 808 ? 7.087 -56.619 54.412 1.00 44.84 ? 1486 GLY A N 1 ATOM 11368 C CA . GLY B 2 808 ? 7.134 -57.310 55.688 1.00 44.26 ? 1486 GLY A CA 1 ATOM 11369 C C . GLY B 2 808 ? 6.851 -56.358 56.837 1.00 44.72 ? 1486 GLY A C 1 ATOM 11370 O O . GLY B 2 808 ? 7.109 -55.160 56.745 1.00 47.88 ? 1486 GLY A O 1 ATOM 11371 N N . PHE B 2 809 ? 6.315 -56.905 57.928 1.00 43.78 ? 1487 PHE A N 1 ATOM 11372 C CA . PHE B 2 809 ? 5.935 -56.116 59.105 1.00 45.16 ? 1487 PHE A CA 1 ATOM 11373 C C . PHE B 2 809 ? 4.993 -54.982 58.710 1.00 45.59 ? 1487 PHE A C 1 ATOM 11374 O O . PHE B 2 809 ? 5.187 -53.817 59.064 1.00 45.75 ? 1487 PHE A O 1 ATOM 11375 C CB . PHE B 2 809 ? 7.169 -55.584 59.834 1.00 36.22 ? 1487 PHE A CB 1 ATOM 11376 C CG . PHE B 2 809 ? 8.270 -56.590 59.952 1.00 37.16 ? 1487 PHE A CG 1 ATOM 11377 C CD1 . PHE B 2 809 ? 8.146 -57.671 60.808 1.00 40.63 ? 1487 PHE A CD1 1 ATOM 11378 C CD2 . PHE B 2 809 ? 9.423 -56.467 59.198 1.00 37.36 ? 1487 PHE A CD2 1 ATOM 11379 C CE1 . PHE B 2 809 ? 9.156 -58.609 60.913 1.00 42.85 ? 1487 PHE A CE1 1 ATOM 11380 C CE2 . PHE B 2 809 ? 10.438 -57.402 59.299 1.00 47.28 ? 1487 PHE A CE2 1 ATOM 11381 C CZ . PHE B 2 809 ? 10.303 -58.475 60.158 1.00 44.28 ? 1487 PHE A CZ 1 ATOM 11382 N N . LEU B 2 810 ? 3.958 -55.348 57.959 1.00 45.19 ? 1488 LEU A N 1 ATOM 11383 C CA . LEU B 2 810 ? 3.016 -54.391 57.400 1.00 43.03 ? 1488 LEU A CA 1 ATOM 11384 C C . LEU B 2 810 ? 2.351 -53.572 58.496 1.00 46.79 ? 1488 LEU A C 1 ATOM 11385 O O . LEU B 2 810 ? 1.717 -54.126 59.399 1.00 46.43 ? 1488 LEU A O 1 ATOM 11386 C CB . LEU B 2 810 ? 1.965 -55.138 56.583 1.00 42.13 ? 1488 LEU A CB 1 ATOM 11387 C CG . LEU B 2 810 ? 0.980 -54.297 55.781 1.00 45.60 ? 1488 LEU A CG 1 ATOM 11388 C CD1 . LEU B 2 810 ? 1.711 -53.432 54.766 1.00 45.93 ? 1488 LEU A CD1 1 ATOM 11389 C CD2 . LEU B 2 810 ? -0.001 -55.218 55.094 1.00 45.70 ? 1488 LEU A CD2 1 ATOM 11390 N N . SER B 2 811 ? 2.498 -52.242 58.409 1.00 46.67 ? 1489 SER A N 1 ATOM 11391 C CA . SER B 2 811 ? 1.868 -51.331 59.352 1.00 45.36 ? 1489 SER A CA 1 ATOM 11392 C C . SER B 2 811 ? 0.398 -51.136 58.989 1.00 45.42 ? 1489 SER A C 1 ATOM 11393 O O . SER B 2 811 ? 0.059 -51.033 57.807 1.00 48.35 ? 1489 SER A O 1 ATOM 11394 C CB . SER B 2 811 ? 2.582 -49.981 59.357 1.00 47.78 ? 1489 SER A CB 1 ATOM 11395 O OG . SER B 2 811 ? 1.975 -49.078 60.268 1.00 52.34 ? 1489 SER A OG 1 ATOM 11396 N N . PRO B 2 812 ? -0.490 -51.085 59.979 1.00 43.70 ? 1490 PRO A N 1 ATOM 11397 C CA . PRO B 2 812 ? -1.915 -50.918 59.681 1.00 40.19 ? 1490 PRO A CA 1 ATOM 11398 C C . PRO B 2 812 ? -2.188 -49.591 58.994 1.00 39.68 ? 1490 PRO A C 1 ATOM 11399 O O . PRO B 2 812 ? -1.400 -48.645 59.065 1.00 42.94 ? 1490 PRO A O 1 ATOM 11400 C CB . PRO B 2 812 ? -2.579 -50.973 61.063 1.00 39.82 ? 1490 PRO A CB 1 ATOM 11401 C CG . PRO B 2 812 ? -1.581 -51.656 61.942 1.00 43.92 ? 1490 PRO A CG 1 ATOM 11402 C CD . PRO B 2 812 ? -0.243 -51.235 61.421 1.00 45.36 ? 1490 PRO A CD 1 ATOM 11403 N N . ALA B 2 813 ? -3.326 -49.540 58.313 1.00 38.26 ? 1491 ALA A N 1 ATOM 11404 C CA . ALA B 2 813 ? -3.812 -48.364 57.614 1.00 36.24 ? 1491 ALA A CA 1 ATOM 11405 C C . ALA B 2 813 ? -5.073 -47.849 58.304 1.00 36.22 ? 1491 ALA A C 1 ATOM 11406 O O . ALA B 2 813 ? -5.580 -48.453 59.254 1.00 37.29 ? 1491 ALA A O 1 ATOM 11407 C CB . ALA B 2 813 ? -4.071 -48.689 56.141 1.00 35.47 ? 1491 ALA A CB 1 ATOM 11408 N N . THR B 2 814 ? -5.593 -46.727 57.806 1.00 33.57 ? 1492 THR A N 1 ATOM 11409 C CA . THR B 2 814 ? -6.733 -46.062 58.418 1.00 32.63 ? 1492 THR A CA 1 ATOM 11410 C C . THR B 2 814 ? -7.929 -46.033 57.475 1.00 36.99 ? 1492 THR A C 1 ATOM 11411 O O . THR B 2 814 ? -7.784 -46.018 56.250 1.00 38.55 ? 1492 THR A O 1 ATOM 11412 C CB . THR B 2 814 ? -6.382 -44.629 58.832 1.00 33.76 ? 1492 THR A CB 1 ATOM 11413 O OG1 . THR B 2 814 ? -6.021 -43.873 57.674 1.00 33.34 ? 1492 THR A OG1 1 ATOM 11414 C CG2 . THR B 2 814 ? -5.216 -44.633 59.797 1.00 35.16 ? 1492 THR A CG2 1 ATOM 11415 N N . PHE B 2 815 ? -9.118 -46.013 58.074 1.00 40.07 ? 1493 PHE A N 1 ATOM 11416 C CA . PHE B 2 815 ? -10.389 -45.911 57.363 1.00 38.80 ? 1493 PHE A CA 1 ATOM 11417 C C . PHE B 2 815 ? -11.157 -44.761 58.001 1.00 39.07 ? 1493 PHE A C 1 ATOM 11418 O O . PHE B 2 815 ? -11.578 -44.859 59.156 1.00 46.03 ? 1493 PHE A O 1 ATOM 11419 C CB . PHE B 2 815 ? -11.167 -47.229 57.442 1.00 30.17 ? 1493 PHE A CB 1 ATOM 11420 C CG . PHE B 2 815 ? -12.548 -47.174 56.846 1.00 30.28 ? 1493 PHE A CG 1 ATOM 11421 C CD1 . PHE B 2 815 ? -12.785 -46.504 55.658 1.00 29.89 ? 1493 PHE A CD1 1 ATOM 11422 C CD2 . PHE B 2 815 ? -13.607 -47.817 57.466 1.00 30.86 ? 1493 PHE A CD2 1 ATOM 11423 C CE1 . PHE B 2 815 ? -14.058 -46.458 55.108 1.00 30.97 ? 1493 PHE A CE1 1 ATOM 11424 C CE2 . PHE B 2 815 ? -14.879 -47.779 56.922 1.00 31.05 ? 1493 PHE A CE2 1 ATOM 11425 C CZ . PHE B 2 815 ? -15.105 -47.098 55.742 1.00 30.65 ? 1493 PHE A CZ 1 ATOM 11426 N N . THR B 2 816 ? -11.313 -43.665 57.265 1.00 38.42 ? 1494 THR A N 1 ATOM 11427 C CA . THR B 2 816 ? -11.927 -42.444 57.767 1.00 35.91 ? 1494 THR A CA 1 ATOM 11428 C C . THR B 2 816 ? -13.158 -42.126 56.937 1.00 36.91 ? 1494 THR A C 1 ATOM 11429 O O . THR B 2 816 ? -13.084 -42.123 55.711 1.00 38.78 ? 1494 THR A O 1 ATOM 11430 C CB . THR B 2 816 ? -10.953 -41.264 57.679 1.00 34.58 ? 1494 THR A CB 1 ATOM 11431 O OG1 . THR B 2 816 ? -9.756 -41.562 58.406 1.00 42.93 ? 1494 THR A OG1 1 ATOM 11432 C CG2 . THR B 2 816 ? -11.592 -40.008 58.236 1.00 28.06 ? 1494 THR A CG2 1 ATOM 11433 N N . VAL B 2 817 ? -14.283 -41.841 57.585 1.00 36.95 ? 1495 VAL A N 1 ATOM 11434 C CA . VAL B 2 817 ? -15.429 -41.291 56.871 1.00 38.24 ? 1495 VAL A CA 1 ATOM 11435 C C . VAL B 2 817 ? -15.878 -40.027 57.591 1.00 41.15 ? 1495 VAL A C 1 ATOM 11436 O O . VAL B 2 817 ? -15.772 -39.921 58.817 1.00 47.06 ? 1495 VAL A O 1 ATOM 11437 C CB . VAL B 2 817 ? -16.594 -42.299 56.741 1.00 39.12 ? 1495 VAL A CB 1 ATOM 11438 C CG1 . VAL B 2 817 ? -16.081 -43.658 56.318 1.00 41.11 ? 1495 VAL A CG1 1 ATOM 11439 C CG2 . VAL B 2 817 ? -17.313 -42.427 58.028 1.00 49.45 ? 1495 VAL A CG2 1 ATOM 11440 N N . TYR B 2 818 ? -16.361 -39.052 56.820 1.00 38.63 ? 1496 TYR A N 1 ATOM 11441 C CA . TYR B 2 818 ? -16.739 -37.772 57.409 1.00 31.33 ? 1496 TYR A CA 1 ATOM 11442 C C . TYR B 2 818 ? -17.689 -37.032 56.480 1.00 35.05 ? 1496 TYR A C 1 ATOM 11443 O O . TYR B 2 818 ? -17.740 -37.294 55.279 1.00 42.69 ? 1496 TYR A O 1 ATOM 11444 C CB . TYR B 2 818 ? -15.509 -36.905 57.703 1.00 29.82 ? 1496 TYR A CB 1 ATOM 11445 C CG . TYR B 2 818 ? -14.637 -36.626 56.500 1.00 35.77 ? 1496 TYR A CG 1 ATOM 11446 C CD1 . TYR B 2 818 ? -13.591 -37.477 56.165 1.00 38.27 ? 1496 TYR A CD1 1 ATOM 11447 C CD2 . TYR B 2 818 ? -14.852 -35.508 55.702 1.00 37.32 ? 1496 TYR A CD2 1 ATOM 11448 C CE1 . TYR B 2 818 ? -12.788 -37.227 55.068 1.00 34.19 ? 1496 TYR A CE1 1 ATOM 11449 C CE2 . TYR B 2 818 ? -14.054 -35.252 54.604 1.00 40.24 ? 1496 TYR A CE2 1 ATOM 11450 C CZ . TYR B 2 818 ? -13.024 -36.116 54.292 1.00 39.57 ? 1496 TYR A CZ 1 ATOM 11451 O OH . TYR B 2 818 ? -12.224 -35.866 53.200 1.00 42.42 ? 1496 TYR A OH 1 ATOM 11452 N N . GLU B 2 819 ? -18.435 -36.090 57.052 1.00 33.67 ? 1497 GLU A N 1 ATOM 11453 C CA . GLU B 2 819 ? -19.280 -35.212 56.252 1.00 28.90 ? 1497 GLU A CA 1 ATOM 11454 C C . GLU B 2 819 ? -18.428 -34.126 55.607 1.00 36.03 ? 1497 GLU A C 1 ATOM 11455 O O . GLU B 2 819 ? -17.653 -33.443 56.285 1.00 40.11 ? 1497 GLU A O 1 ATOM 11456 C CB . GLU B 2 819 ? -20.385 -34.588 57.105 1.00 29.31 ? 1497 GLU A CB 1 ATOM 11457 C CG . GLU B 2 819 ? -21.645 -35.434 57.180 1.00 39.79 ? 1497 GLU A CG 1 ATOM 11458 C CD . GLU B 2 819 ? -22.794 -34.730 57.872 1.00 47.24 ? 1497 GLU A CD 1 ATOM 11459 O OE1 . GLU B 2 819 ? -22.536 -33.898 58.768 1.00 49.04 ? 1497 GLU A OE1 1 ATOM 11460 O OE2 . GLU B 2 819 ? -23.960 -35.007 57.515 1.00 47.96 ? 1497 GLU A OE2 1 ATOM 11461 N N . TYR B 2 820 ? -18.584 -33.968 54.290 1.00 37.27 ? 1498 TYR A N 1 ATOM 11462 C CA . TYR B 2 820 ? -17.756 -33.030 53.541 1.00 34.13 ? 1498 TYR A CA 1 ATOM 11463 C C . TYR B 2 820 ? -17.871 -31.619 54.103 1.00 32.18 ? 1498 TYR A C 1 ATOM 11464 O O . TYR B 2 820 ? -16.863 -30.923 54.268 1.00 30.04 ? 1498 TYR A O 1 ATOM 11465 C CB . TYR B 2 820 ? -18.161 -33.065 52.068 1.00 38.83 ? 1498 TYR A CB 1 ATOM 11466 C CG . TYR B 2 820 ? -17.204 -32.397 51.107 1.00 39.70 ? 1498 TYR A CG 1 ATOM 11467 C CD1 . TYR B 2 820 ? -16.229 -33.133 50.444 1.00 42.19 ? 1498 TYR A CD1 1 ATOM 11468 C CD2 . TYR B 2 820 ? -17.297 -31.040 50.836 1.00 40.01 ? 1498 TYR A CD2 1 ATOM 11469 C CE1 . TYR B 2 820 ? -15.361 -32.531 49.549 1.00 42.66 ? 1498 TYR A CE1 1 ATOM 11470 C CE2 . TYR B 2 820 ? -16.433 -30.428 49.944 1.00 43.04 ? 1498 TYR A CE2 1 ATOM 11471 C CZ . TYR B 2 820 ? -15.469 -31.176 49.303 1.00 43.18 ? 1498 TYR A CZ 1 ATOM 11472 O OH . TYR B 2 820 ? -14.610 -30.565 48.415 1.00 40.58 ? 1498 TYR A OH 1 ATOM 11473 N N . HIS B 2 821 ? -19.087 -31.183 54.410 1.00 27.91 ? 1499 HIS A N 1 ATOM 11474 C CA . HIS B 2 821 ? -19.301 -29.862 54.976 1.00 34.72 ? 1499 HIS A CA 1 ATOM 11475 C C . HIS B 2 821 ? -19.277 -29.861 56.498 1.00 39.78 ? 1499 HIS A C 1 ATOM 11476 O O . HIS B 2 821 ? -19.462 -28.803 57.103 1.00 41.91 ? 1499 HIS A O 1 ATOM 11477 C CB . HIS B 2 821 ? -20.625 -29.282 54.472 1.00 35.04 ? 1499 HIS A CB 1 ATOM 11478 C CG . HIS B 2 821 ? -20.649 -29.043 52.995 1.00 38.50 ? 1499 HIS A CG 1 ATOM 11479 N ND1 . HIS B 2 821 ? -21.460 -29.755 52.138 1.00 37.99 ? 1499 HIS A ND1 1 ATOM 11480 C CD2 . HIS B 2 821 ? -19.952 -28.178 52.222 1.00 41.62 ? 1499 HIS A CD2 1 ATOM 11481 C CE1 . HIS B 2 821 ? -21.266 -29.334 50.901 1.00 38.49 ? 1499 HIS A CE1 1 ATOM 11482 N NE2 . HIS B 2 821 ? -20.355 -28.378 50.924 1.00 38.21 ? 1499 HIS A NE2 1 ATOM 11483 N N . ARG B 2 822 ? -19.061 -31.012 57.129 1.00 40.94 ? 1500 ARG A N 1 ATOM 11484 C CA . ARG B 2 822 ? -18.888 -31.096 58.580 1.00 37.71 ? 1500 ARG A CA 1 ATOM 11485 C C . ARG B 2 822 ? -17.788 -32.100 58.883 1.00 38.24 ? 1500 ARG A C 1 ATOM 11486 O O . ARG B 2 822 ? -18.045 -33.206 59.375 1.00 35.95 ? 1500 ARG A O 1 ATOM 11487 C CB . ARG B 2 822 ? -20.194 -31.487 59.273 1.00 32.56 ? 1500 ARG A CB 1 ATOM 11488 C CG . ARG B 2 822 ? -21.213 -30.376 59.357 1.00 31.57 ? 1500 ARG A CG 1 ATOM 11489 C CD . ARG B 2 822 ? -22.232 -30.642 60.458 1.00 35.20 ? 1500 ARG A CD 1 ATOM 11490 N NE . ARG B 2 822 ? -22.876 -31.950 60.346 1.00 37.19 ? 1500 ARG A NE 1 ATOM 11491 C CZ . ARG B 2 822 ? -23.970 -32.299 61.017 1.00 40.74 ? 1500 ARG A CZ 1 ATOM 11492 N NH1 . ARG B 2 822 ? -24.545 -31.434 61.840 1.00 42.72 ? 1500 ARG A NH1 1 ATOM 11493 N NH2 . ARG B 2 822 ? -24.497 -33.508 60.864 1.00 40.00 ? 1500 ARG A NH2 1 ATOM 11494 N N . PRO B 2 823 ? -16.534 -31.742 58.601 1.00 37.33 ? 1501 PRO A N 1 ATOM 11495 C CA . PRO B 2 823 ? -15.429 -32.668 58.892 1.00 37.58 ? 1501 PRO A CA 1 ATOM 11496 C C . PRO B 2 823 ? -15.334 -33.052 60.358 1.00 40.93 ? 1501 PRO A C 1 ATOM 11497 O O . PRO B 2 823 ? -14.674 -34.046 60.680 1.00 47.06 ? 1501 PRO A O 1 ATOM 11498 C CB . PRO B 2 823 ? -14.187 -31.894 58.428 1.00 37.61 ? 1501 PRO A CB 1 ATOM 11499 C CG . PRO B 2 823 ? -14.708 -30.879 57.452 1.00 37.43 ? 1501 PRO A CG 1 ATOM 11500 C CD . PRO B 2 823 ? -16.069 -30.506 57.946 1.00 34.92 ? 1501 PRO A CD 1 ATOM 11501 N N . ASP B 2 824 ? -15.980 -32.304 61.256 1.00 40.74 ? 1502 ASP A N 1 ATOM 11502 C CA . ASP B 2 824 ? -16.016 -32.677 62.667 1.00 41.08 ? 1502 ASP A CA 1 ATOM 11503 C C . ASP B 2 824 ? -16.906 -33.887 62.923 1.00 41.32 ? 1502 ASP A C 1 ATOM 11504 O O . ASP B 2 824 ? -16.724 -34.568 63.936 1.00 43.13 ? 1502 ASP A O 1 ATOM 11505 C CB . ASP B 2 824 ? -16.489 -31.493 63.513 1.00 37.35 ? 1502 ASP A CB 1 ATOM 11506 C CG . ASP B 2 824 ? -17.779 -30.890 62.997 1.00 40.50 ? 1502 ASP A CG 1 ATOM 11507 O OD1 . ASP B 2 824 ? -17.752 -30.280 61.906 1.00 43.18 ? 1502 ASP A OD1 1 ATOM 11508 O OD2 . ASP B 2 824 ? -18.815 -31.017 63.682 1.00 41.43 ? 1502 ASP A OD2 1 ATOM 11509 N N . LYS B 2 825 ? -17.866 -34.160 62.043 1.00 38.25 ? 1503 LYS A N 1 ATOM 11510 C CA . LYS B 2 825 ? -18.666 -35.381 62.113 1.00 39.32 ? 1503 LYS A CA 1 ATOM 11511 C C . LYS B 2 825 ? -17.903 -36.453 61.349 1.00 44.72 ? 1503 LYS A C 1 ATOM 11512 O O . LYS B 2 825 ? -18.023 -36.588 60.130 1.00 46.43 ? 1503 LYS A O 1 ATOM 11513 C CB . LYS B 2 825 ? -20.055 -35.152 61.535 1.00 40.69 ? 1503 LYS A CB 1 ATOM 11514 C CG . LYS B 2 825 ? -20.810 -34.024 62.195 1.00 47.13 ? 1503 LYS A CG 1 ATOM 11515 C CD . LYS B 2 825 ? -21.409 -34.473 63.512 1.00 52.77 ? 1503 LYS A CD 1 ATOM 11516 C CE . LYS B 2 825 ? -21.954 -33.296 64.297 1.00 55.78 ? 1503 LYS A CE 1 ATOM 11517 N NZ . LYS B 2 825 ? -22.726 -33.746 65.487 1.00 59.51 ? 1503 LYS A NZ 1 ATOM 11518 N N . GLN B 2 826 ? -17.099 -37.224 62.073 1.00 43.54 ? 1504 GLN A N 1 ATOM 11519 C CA . GLN B 2 826 ? -16.174 -38.142 61.436 1.00 40.54 ? 1504 GLN A CA 1 ATOM 11520 C C . GLN B 2 826 ? -16.025 -39.384 62.298 1.00 46.03 ? 1504 GLN A C 1 ATOM 11521 O O . GLN B 2 826 ? -16.584 -39.482 63.395 1.00 43.97 ? 1504 GLN A O 1 ATOM 11522 C CB . GLN B 2 826 ? -14.815 -37.477 61.208 1.00 37.58 ? 1504 GLN A CB 1 ATOM 11523 C CG . GLN B 2 826 ? -14.044 -37.199 62.494 1.00 34.99 ? 1504 GLN A CG 1 ATOM 11524 C CD . GLN B 2 826 ? -13.133 -38.351 62.883 1.00 39.95 ? 1504 GLN A CD 1 ATOM 11525 O OE1 . GLN B 2 826 ? -12.256 -38.747 62.116 1.00 47.51 ? 1504 GLN A OE1 1 ATOM 11526 N NE2 . GLN B 2 826 ? -13.347 -38.903 64.068 1.00 33.70 ? 1504 GLN A NE2 1 ATOM 11527 N N . CYS B 2 827 ? -15.238 -40.327 61.789 1.00 44.07 ? 1505 CYS A N 1 ATOM 11528 C CA . CYS B 2 827 ? -14.866 -41.518 62.534 1.00 44.56 ? 1505 CYS A CA 1 ATOM 11529 C C . CYS B 2 827 ? -13.665 -42.141 61.845 1.00 49.22 ? 1505 CYS A C 1 ATOM 11530 O O . CYS B 2 827 ? -13.700 -42.373 60.633 1.00 49.22 ? 1505 CYS A O 1 ATOM 11531 C CB . CYS B 2 827 ? -16.030 -42.503 62.599 1.00 47.79 ? 1505 CYS A CB 1 ATOM 11532 S SG . CYS B 2 827 ? -15.768 -43.891 63.705 1.00 53.53 ? 1505 CYS A SG 1 ATOM 11533 N N . THR B 2 828 ? -12.604 -42.394 62.610 1.00 48.44 ? 1506 THR A N 1 ATOM 11534 C CA . THR B 2 828 ? -11.375 -42.977 62.086 1.00 43.02 ? 1506 THR A CA 1 ATOM 11535 C C . THR B 2 828 ? -11.120 -44.314 62.763 1.00 44.28 ? 1506 THR A C 1 ATOM 11536 O O . THR B 2 828 ? -11.205 -44.423 63.990 1.00 52.57 ? 1506 THR A O 1 ATOM 11537 C CB . THR B 2 828 ? -10.179 -42.050 62.302 1.00 39.29 ? 1506 THR A CB 1 ATOM 11538 O OG1 . THR B 2 828 ? -10.427 -40.795 61.663 1.00 44.24 ? 1506 THR A OG1 1 ATOM 11539 C CG2 . THR B 2 828 ? -8.919 -42.665 61.719 1.00 29.27 ? 1506 THR A CG2 1 ATOM 11540 N N . MET B 2 829 ? -10.789 -45.320 61.964 1.00 40.58 ? 1507 MET A N 1 ATOM 11541 C CA . MET B 2 829 ? -10.579 -46.672 62.451 1.00 37.60 ? 1507 MET A CA 1 ATOM 11542 C C . MET B 2 829 ? -9.343 -47.258 61.785 1.00 39.40 ? 1507 MET A C 1 ATOM 11543 O O . MET B 2 829 ? -9.065 -46.972 60.618 1.00 39.64 ? 1507 MET A O 1 ATOM 11544 C CB . MET B 2 829 ? -11.813 -47.536 62.171 1.00 36.90 ? 1507 MET A CB 1 ATOM 11545 C CG . MET B 2 829 ? -11.512 -48.952 61.771 1.00 45.94 ? 1507 MET A CG 1 ATOM 11546 S SD . MET B 2 829 ? -13.022 -49.806 61.321 1.00 54.53 ? 1507 MET A SD 1 ATOM 11547 C CE . MET B 2 829 ? -13.955 -49.637 62.842 1.00 65.53 ? 1507 MET A CE 1 ATOM 11548 N N . PHE B 2 830 ? -8.587 -48.052 62.540 1.00 37.88 ? 1508 PHE A N 1 ATOM 11549 C CA . PHE B 2 830 ? -7.420 -48.737 62.008 1.00 34.89 ? 1508 PHE A CA 1 ATOM 11550 C C . PHE B 2 830 ? -7.819 -50.078 61.410 1.00 38.38 ? 1508 PHE A C 1 ATOM 11551 O O . PHE B 2 830 ? -8.777 -50.715 61.858 1.00 41.65 ? 1508 PHE A O 1 ATOM 11552 C CB . PHE B 2 830 ? -6.378 -48.970 63.097 1.00 33.87 ? 1508 PHE A CB 1 ATOM 11553 C CG . PHE B 2 830 ? -5.580 -47.757 63.453 1.00 34.95 ? 1508 PHE A CG 1 ATOM 11554 C CD1 . PHE B 2 830 ? -4.600 -47.284 62.597 1.00 40.10 ? 1508 PHE A CD1 1 ATOM 11555 C CD2 . PHE B 2 830 ? -5.781 -47.112 64.661 1.00 35.09 ? 1508 PHE A CD2 1 ATOM 11556 C CE1 . PHE B 2 830 ? -3.850 -46.176 62.932 1.00 44.24 ? 1508 PHE A CE1 1 ATOM 11557 C CE2 . PHE B 2 830 ? -5.035 -46.007 65.003 1.00 39.11 ? 1508 PHE A CE2 1 ATOM 11558 C CZ . PHE B 2 830 ? -4.064 -45.545 64.144 1.00 43.64 ? 1508 PHE A CZ 1 ATOM 11559 N N . TYR B 2 831 ? -7.061 -50.514 60.405 1.00 34.11 ? 1509 TYR A N 1 ATOM 11560 C CA . TYR B 2 831 ? -7.263 -51.838 59.829 1.00 32.33 ? 1509 TYR A CA 1 ATOM 11561 C C . TYR B 2 831 ? -5.973 -52.283 59.162 1.00 45.17 ? 1509 TYR A C 1 ATOM 11562 O O . TYR B 2 831 ? -5.113 -51.466 58.821 1.00 44.46 ? 1509 TYR A O 1 ATOM 11563 C CB . TYR B 2 831 ? -8.417 -51.856 58.819 1.00 32.21 ? 1509 TYR A CB 1 ATOM 11564 C CG . TYR B 2 831 ? -8.022 -51.413 57.424 1.00 36.08 ? 1509 TYR A CG 1 ATOM 11565 C CD1 . TYR B 2 831 ? -7.765 -50.079 57.146 1.00 38.23 ? 1509 TYR A CD1 1 ATOM 11566 C CD2 . TYR B 2 831 ? -7.910 -52.330 56.388 1.00 39.78 ? 1509 TYR A CD2 1 ATOM 11567 C CE1 . TYR B 2 831 ? -7.405 -49.668 55.876 1.00 41.20 ? 1509 TYR A CE1 1 ATOM 11568 C CE2 . TYR B 2 831 ? -7.551 -51.929 55.111 1.00 39.38 ? 1509 TYR A CE2 1 ATOM 11569 C CZ . TYR B 2 831 ? -7.299 -50.598 54.861 1.00 40.44 ? 1509 TYR A CZ 1 ATOM 11570 O OH . TYR B 2 831 ? -6.942 -50.197 53.593 1.00 42.57 ? 1509 TYR A OH 1 ATOM 11571 N N . SER B 2 832 ? -5.847 -53.592 58.980 1.00 44.56 ? 1510 SER A N 1 ATOM 11572 C CA . SER B 2 832 ? -4.710 -54.164 58.280 1.00 49.88 ? 1510 SER A CA 1 ATOM 11573 C C . SER B 2 832 ? -5.219 -55.103 57.205 1.00 48.59 ? 1510 SER A C 1 ATOM 11574 O O . SER B 2 832 ? -6.215 -55.804 57.397 1.00 47.10 ? 1510 SER A O 1 ATOM 11575 C CB . SER B 2 832 ? -3.771 -54.918 59.222 1.00 54.62 ? 1510 SER A CB 1 ATOM 11576 O OG . SER B 2 832 ? -2.678 -55.466 58.500 1.00 57.84 ? 1510 SER A OG 1 ATOM 11577 N N . THR B 2 833 ? -4.538 -55.107 56.071 1.00 52.47 ? 1511 THR A N 1 ATOM 11578 C CA . THR B 2 833 ? -4.936 -56.012 55.010 1.00 57.89 ? 1511 THR A CA 1 ATOM 11579 C C . THR B 2 833 ? -4.302 -57.385 55.160 1.00 64.06 ? 1511 THR A C 1 ATOM 11580 O O . THR B 2 833 ? -4.701 -58.316 54.453 1.00 64.01 ? 1511 THR A O 1 ATOM 11581 C CB . THR B 2 833 ? -4.576 -55.412 53.657 1.00 56.43 ? 1511 THR A CB 1 ATOM 11582 O OG1 . THR B 2 833 ? -5.336 -56.067 52.638 1.00 66.86 ? 1511 THR A OG1 1 ATOM 11583 C CG2 . THR B 2 833 ? -3.100 -55.599 53.386 1.00 53.38 ? 1511 THR A CG2 1 ATOM 11584 N N . SER B 2 834 ? -3.340 -57.528 56.065 1.00 68.16 ? 1512 SER A N 1 ATOM 11585 C CA . SER B 2 834 ? -2.666 -58.790 56.321 1.00 74.31 ? 1512 SER A CA 1 ATOM 11586 C C . SER B 2 834 ? -3.113 -59.357 57.659 1.00 83.23 ? 1512 SER A C 1 ATOM 11587 O O . SER B 2 834 ? -3.197 -58.637 58.660 1.00 84.99 ? 1512 SER A O 1 ATOM 11588 C CB . SER B 2 834 ? -1.145 -58.623 56.319 1.00 76.95 ? 1512 SER A CB 1 ATOM 11589 O OG . SER B 2 834 ? -0.613 -58.799 55.018 1.00 82.55 ? 1512 SER A OG 1 ATOM 11590 N N . ASN B 2 835 ? -3.395 -60.651 57.662 1.00 89.75 ? 1513 ASN A N 1 ATOM 11591 C CA . ASN B 2 835 ? -3.750 -61.388 58.863 1.00 97.39 ? 1513 ASN A CA 1 ATOM 11592 C C . ASN B 2 835 ? -2.541 -61.767 59.703 1.00 98.03 ? 1513 ASN A C 1 ATOM 11593 O O . ASN B 2 835 ? -2.711 -62.427 60.734 1.00 96.49 ? 1513 ASN A O 1 ATOM 11594 C CB . ASN B 2 835 ? -4.498 -62.659 58.464 1.00 102.83 ? 1513 ASN A CB 1 ATOM 11595 C CG . ASN B 2 835 ? -3.760 -63.445 57.387 1.00 104.74 ? 1513 ASN A CG 1 ATOM 11596 O OD1 . ASN B 2 835 ? -3.285 -62.875 56.401 1.00 102.54 ? 1513 ASN A OD1 1 ATOM 11597 N ND2 . ASN B 2 835 ? -3.645 -64.754 57.581 1.00 105.37 ? 1513 ASN A ND2 1 ATOM 11598 N N . ILE B 2 836 ? -1.340 -61.350 59.302 1.00 103.37 ? 1514 ILE A N 1 ATOM 11599 C CA . ILE B 2 836 ? -0.129 -62.090 59.646 1.00 103.08 ? 1514 ILE A CA 1 ATOM 11600 C C . ILE B 2 836 ? 0.174 -61.974 61.135 1.00 97.03 ? 1514 ILE A C 1 ATOM 11601 O O . ILE B 2 836 ? 0.397 -60.880 61.667 1.00 95.14 ? 1514 ILE A O 1 ATOM 11602 C CB . ILE B 2 836 ? 1.064 -61.637 58.792 1.00 103.13 ? 1514 ILE A CB 1 ATOM 11603 C CG1 . ILE B 2 836 ? 0.903 -62.143 57.352 1.00 99.52 ? 1514 ILE A CG1 1 ATOM 11604 C CG2 . ILE B 2 836 ? 2.372 -62.151 59.395 1.00 103.83 ? 1514 ILE A CG2 1 ATOM 11605 C CD1 . ILE B 2 836 ? 2.148 -61.989 56.496 1.00 95.65 ? 1514 ILE A CD1 1 ATOM 11606 N N . LYS B 2 837 ? 0.146 -63.119 61.805 1.00 136.65 ? 1515 LYS A N 1 ATOM 11607 C CA . LYS B 2 837 ? 0.700 -63.394 63.119 1.00 128.91 ? 1515 LYS A CA 1 ATOM 11608 C C . LYS B 2 837 ? 1.244 -64.793 62.799 1.00 131.07 ? 1515 LYS A C 1 ATOM 11609 O O . LYS B 2 837 ? 0.706 -65.423 61.888 1.00 125.33 ? 1515 LYS A O 1 ATOM 11610 C CB . LYS B 2 837 ? -0.388 -63.357 64.207 1.00 123.91 ? 1515 LYS A CB 1 ATOM 11611 C CG . LYS B 2 837 ? 0.068 -63.252 65.663 1.00 119.03 ? 1515 LYS A CG 1 ATOM 11612 C CD . LYS B 2 837 ? -0.528 -64.401 66.474 1.00 119.13 ? 1515 LYS A CD 1 ATOM 11613 C CE . LYS B 2 837 ? 0.113 -64.560 67.849 1.00 115.85 ? 1515 LYS A CE 1 ATOM 11614 N NZ . LYS B 2 837 ? -0.442 -63.660 68.899 1.00 114.10 ? 1515 LYS A NZ 1 ATOM 11615 N N . ILE B 2 838 ? 2.275 -65.312 63.468 1.00 139.85 ? 1516 ILE A N 1 ATOM 11616 C CA . ILE B 2 838 ? 2.847 -64.817 64.705 1.00 141.18 ? 1516 ILE A CA 1 ATOM 11617 C C . ILE B 2 838 ? 4.106 -63.976 64.483 1.00 157.74 ? 1516 ILE A C 1 ATOM 11618 O O . ILE B 2 838 ? 4.617 -63.870 63.362 1.00 154.66 ? 1516 ILE A O 1 ATOM 11619 C CB . ILE B 2 838 ? 3.136 -66.017 65.645 1.00 126.26 ? 1516 ILE A CB 1 ATOM 11620 C CG1 . ILE B 2 838 ? 2.025 -67.064 65.519 1.00 117.44 ? 1516 ILE A CG1 1 ATOM 11621 C CG2 . ILE B 2 838 ? 3.231 -65.590 67.095 1.00 121.55 ? 1516 ILE A CG2 1 ATOM 11622 C CD1 . ILE B 2 838 ? 2.499 -68.417 65.031 1.00 114.22 ? 1516 ILE A CD1 1 ATOM 11623 N N . GLN B 2 839 ? 4.588 -63.389 65.571 1.00 174.02 ? 1517 GLN A N 1 ATOM 11624 C CA . GLN B 2 839 ? 5.804 -62.602 65.661 1.00 184.96 ? 1517 GLN A CA 1 ATOM 11625 C C . GLN B 2 839 ? 6.725 -63.215 66.716 1.00 192.33 ? 1517 GLN A C 1 ATOM 11626 O O . GLN B 2 839 ? 7.252 -62.540 67.608 1.00 194.57 ? 1517 GLN A O 1 ATOM 11627 C CB . GLN B 2 839 ? 5.416 -61.156 65.959 1.00 186.86 ? 1517 GLN A CB 1 ATOM 11628 C CG . GLN B 2 839 ? 6.512 -60.156 65.895 1.00 190.38 ? 1517 GLN A CG 1 ATOM 11629 C CD . GLN B 2 839 ? 6.321 -59.115 66.947 1.00 192.88 ? 1517 GLN A CD 1 ATOM 11630 O OE1 . GLN B 2 839 ? 5.190 -58.729 67.259 1.00 194.61 ? 1517 GLN A OE1 1 ATOM 11631 N NE2 . GLN B 2 839 ? 7.421 -58.664 67.532 1.00 193.03 ? 1517 GLN A NE2 1 ATOM 11632 N N . LYS B 2 840 ? 6.928 -64.532 66.615 1.00 181.09 ? 1518 LYS A N 1 ATOM 11633 C CA . LYS B 2 840 ? 7.634 -65.281 67.662 1.00 169.31 ? 1518 LYS A CA 1 ATOM 11634 C C . LYS B 2 840 ? 9.112 -64.916 67.715 1.00 162.16 ? 1518 LYS A C 1 ATOM 11635 O O . LYS B 2 840 ? 9.642 -64.586 68.781 1.00 159.16 ? 1518 LYS A O 1 ATOM 11636 C CB . LYS B 2 840 ? 7.468 -66.784 67.450 1.00 167.74 ? 1518 LYS A CB 1 ATOM 11637 C CG . LYS B 2 840 ? 6.085 -67.307 67.766 1.00 164.92 ? 1518 LYS A CG 1 ATOM 11638 C CD . LYS B 2 840 ? 6.002 -67.864 69.187 1.00 161.79 ? 1518 LYS A CD 1 ATOM 11639 C CE . LYS B 2 840 ? 4.589 -67.727 69.751 1.00 158.86 ? 1518 LYS A CE 1 ATOM 11640 N NZ . LYS B 2 840 ? 3.629 -68.778 69.293 1.00 160.28 ? 1518 LYS A NZ 1 ATOM 11641 N N . VAL B 2 841 ? 9.800 -64.984 66.574 1.00 158.61 ? 1519 VAL A N 1 ATOM 11642 C CA . VAL B 2 841 ? 11.230 -64.711 66.561 1.00 152.82 ? 1519 VAL A CA 1 ATOM 11643 C C . VAL B 2 841 ? 11.718 -64.443 65.143 1.00 155.33 ? 1519 VAL A C 1 ATOM 11644 O O . VAL B 2 841 ? 11.018 -64.708 64.158 1.00 157.17 ? 1519 VAL A O 1 ATOM 11645 C CB . VAL B 2 841 ? 12.006 -65.858 67.224 1.00 145.58 ? 1519 VAL A CB 1 ATOM 11646 C CG1 . VAL B 2 841 ? 12.662 -66.761 66.193 1.00 146.55 ? 1519 VAL A CG1 1 ATOM 11647 C CG2 . VAL B 2 841 ? 13.011 -65.304 68.216 1.00 139.03 ? 1519 VAL A CG2 1 ATOM 11648 N N . CYS B 2 842 ? 12.932 -63.922 65.039 1.00 155.24 ? 1520 CYS A N 1 ATOM 11649 C CA . CYS B 2 842 ? 13.496 -63.477 63.786 1.00 159.44 ? 1520 CYS A CA 1 ATOM 11650 C C . CYS B 2 842 ? 14.654 -64.356 63.322 1.00 165.35 ? 1520 CYS A C 1 ATOM 11651 O O . CYS B 2 842 ? 15.124 -64.191 62.190 1.00 169.44 ? 1520 CYS A O 1 ATOM 11652 C CB . CYS B 2 842 ? 13.903 -62.008 63.960 1.00 157.57 ? 1520 CYS A CB 1 ATOM 11653 S SG . CYS B 2 842 ? 14.946 -61.197 62.785 1.00 158.67 ? 1520 CYS A SG 1 ATOM 11654 N N . GLU B 2 843 ? 15.092 -65.303 64.158 1.00 160.83 ? 1521 GLU A N 1 ATOM 11655 C CA . GLU B 2 843 ? 15.997 -66.395 63.799 1.00 156.72 ? 1521 GLU A CA 1 ATOM 11656 C C . GLU B 2 843 ? 17.356 -65.929 63.283 1.00 151.67 ? 1521 GLU A C 1 ATOM 11657 O O . GLU B 2 843 ? 17.582 -65.870 62.070 1.00 152.50 ? 1521 GLU A O 1 ATOM 11658 C CB . GLU B 2 843 ? 15.334 -67.322 62.768 1.00 155.36 ? 1521 GLU A CB 1 ATOM 11659 C CG . GLU B 2 843 ? 14.102 -68.060 63.299 1.00 151.17 ? 1521 GLU A CG 1 ATOM 11660 C CD . GLU B 2 843 ? 13.636 -69.198 62.402 1.00 149.38 ? 1521 GLU A CD 1 ATOM 11661 O OE1 . GLU B 2 843 ? 14.470 -70.051 62.030 1.00 150.55 ? 1521 GLU A OE1 1 ATOM 11662 O OE2 . GLU B 2 843 ? 12.430 -69.241 62.074 1.00 146.67 ? 1521 GLU A OE2 1 ATOM 11663 N N . GLY B 2 844 ? 18.269 -65.611 64.202 1.00 144.66 ? 1522 GLY A N 1 ATOM 11664 C CA . GLY B 2 844 ? 19.667 -65.402 63.869 1.00 141.29 ? 1522 GLY A CA 1 ATOM 11665 C C . GLY B 2 844 ? 19.989 -64.113 63.140 1.00 133.71 ? 1522 GLY A C 1 ATOM 11666 O O . GLY B 2 844 ? 19.849 -63.020 63.697 1.00 131.33 ? 1522 GLY A O 1 ATOM 11667 N N . ALA B 2 845 ? 20.450 -64.237 61.899 1.00 133.71 ? 1523 ALA A N 1 ATOM 11668 C CA . ALA B 2 845 ? 20.757 -63.110 61.036 1.00 133.21 ? 1523 ALA A CA 1 ATOM 11669 C C . ALA B 2 845 ? 19.537 -62.808 60.163 1.00 134.94 ? 1523 ALA A C 1 ATOM 11670 O O . ALA B 2 845 ? 18.428 -63.284 60.445 1.00 136.44 ? 1523 ALA A O 1 ATOM 11671 C CB . ALA B 2 845 ? 22.016 -63.413 60.216 1.00 135.31 ? 1523 ALA A CB 1 ATOM 11672 N N . ALA B 2 846 ? 19.736 -62.042 59.080 1.00 133.30 ? 1524 ALA A N 1 ATOM 11673 C CA . ALA B 2 846 ? 18.624 -61.440 58.336 1.00 133.31 ? 1524 ALA A CA 1 ATOM 11674 C C . ALA B 2 846 ? 17.651 -60.813 59.332 1.00 131.42 ? 1524 ALA A C 1 ATOM 11675 O O . ALA B 2 846 ? 16.433 -60.897 59.202 1.00 131.23 ? 1524 ALA A O 1 ATOM 11676 C CB . ALA B 2 846 ? 17.930 -62.455 57.416 1.00 133.77 ? 1524 ALA A CB 1 ATOM 11677 N N . CYS B 2 847 ? 18.221 -60.189 60.352 1.00 119.72 ? 1525 CYS A N 1 ATOM 11678 C CA . CYS B 2 847 ? 17.541 -59.830 61.597 1.00 104.66 ? 1525 CYS A CA 1 ATOM 11679 C C . CYS B 2 847 ? 17.927 -58.455 62.128 1.00 88.63 ? 1525 CYS A C 1 ATOM 11680 O O . CYS B 2 847 ? 17.110 -57.822 62.821 1.00 81.87 ? 1525 CYS A O 1 ATOM 11681 C CB . CYS B 2 847 ? 17.846 -60.872 62.679 1.00 111.19 ? 1525 CYS A CB 1 ATOM 11682 S SG . CYS B 2 847 ? 16.585 -60.821 63.917 1.00 113.17 ? 1525 CYS A SG 1 ATOM 11683 N N . LYS B 2 848 ? 19.131 -57.954 61.845 1.00 85.29 ? 1526 LYS A N 1 ATOM 11684 C CA . LYS B 2 848 ? 19.626 -56.739 62.477 1.00 83.36 ? 1526 LYS A CA 1 ATOM 11685 C C . LYS B 2 848 ? 18.779 -55.517 62.147 1.00 80.35 ? 1526 LYS A C 1 ATOM 11686 O O . LYS B 2 848 ? 18.885 -54.512 62.846 1.00 82.92 ? 1526 LYS A O 1 ATOM 11687 C CB . LYS B 2 848 ? 21.088 -56.494 62.071 1.00 81.97 ? 1526 LYS A CB 1 ATOM 11688 C CG . LYS B 2 848 ? 21.261 -55.434 61.001 1.00 78.99 ? 1526 LYS A CG 1 ATOM 11689 C CD . LYS B 2 848 ? 22.060 -55.929 59.818 1.00 78.22 ? 1526 LYS A CD 1 ATOM 11690 C CE . LYS B 2 848 ? 22.352 -54.763 58.896 1.00 78.41 ? 1526 LYS A CE 1 ATOM 11691 N NZ . LYS B 2 848 ? 23.067 -55.186 57.671 1.00 85.57 ? 1526 LYS A NZ 1 ATOM 11692 N N . CYS B 2 849 ? 17.943 -55.576 61.110 1.00 75.24 ? 1527 CYS A N 1 ATOM 11693 C CA . CYS B 2 849 ? 17.158 -54.408 60.730 1.00 71.07 ? 1527 CYS A CA 1 ATOM 11694 C C . CYS B 2 849 ? 15.864 -54.317 61.530 1.00 67.83 ? 1527 CYS A C 1 ATOM 11695 O O . CYS B 2 849 ? 15.437 -53.218 61.899 1.00 70.81 ? 1527 CYS A O 1 ATOM 11696 C CB . CYS B 2 849 ? 16.873 -54.445 59.229 1.00 71.56 ? 1527 CYS A CB 1 ATOM 11697 S SG . CYS B 2 849 ? 18.309 -54.081 58.177 1.00 71.33 ? 1527 CYS A SG 1 ATOM 11698 N N . VAL B 2 850 ? 15.228 -55.454 61.816 1.00 67.15 ? 1528 VAL A N 1 ATOM 11699 C CA . VAL B 2 850 ? 14.021 -55.429 62.638 1.00 68.64 ? 1528 VAL A CA 1 ATOM 11700 C C . VAL B 2 850 ? 14.375 -55.105 64.083 1.00 68.80 ? 1528 VAL A C 1 ATOM 11701 O O . VAL B 2 850 ? 13.800 -54.196 64.694 1.00 69.56 ? 1528 VAL A O 1 ATOM 11702 C CB . VAL B 2 850 ? 13.266 -56.765 62.532 1.00 66.04 ? 1528 VAL A CB 1 ATOM 11703 C CG1 . VAL B 2 850 ? 11.787 -56.555 62.815 1.00 64.97 ? 1528 VAL A CG1 1 ATOM 11704 C CG2 . VAL B 2 850 ? 13.484 -57.384 61.164 1.00 76.39 ? 1528 VAL A CG2 1 ATOM 11705 N N . GLU B 2 851 ? 15.336 -55.838 64.646 1.00 72.14 ? 1529 GLU A N 1 ATOM 11706 C CA . GLU B 2 851 ? 15.838 -55.610 65.994 1.00 75.20 ? 1529 GLU A CA 1 ATOM 11707 C C . GLU B 2 851 ? 16.854 -54.474 66.064 1.00 80.64 ? 1529 GLU A C 1 ATOM 11708 O O . GLU B 2 851 ? 17.629 -54.410 67.025 1.00 87.92 ? 1529 GLU A O 1 ATOM 11709 C CB . GLU B 2 851 ? 16.456 -56.900 66.545 1.00 76.57 ? 1529 GLU A CB 1 ATOM 11710 C CG . GLU B 2 851 ? 15.480 -58.063 66.661 1.00 79.25 ? 1529 GLU A CG 1 ATOM 11711 C CD . GLU B 2 851 ? 14.468 -57.870 67.775 1.00 81.97 ? 1529 GLU A CD 1 ATOM 11712 O OE1 . GLU B 2 851 ? 14.769 -57.120 68.727 1.00 82.68 ? 1529 GLU A OE1 1 ATOM 11713 O OE2 . GLU B 2 851 ? 13.372 -58.466 67.701 1.00 84.87 ? 1529 GLU A OE2 1 ATOM 11714 N N . ALA B 2 852 ? 16.863 -53.577 65.075 1.00 80.71 ? 1530 ALA A N 1 ATOM 11715 C CA . ALA B 2 852 ? 17.893 -52.545 65.015 1.00 82.99 ? 1530 ALA A CA 1 ATOM 11716 C C . ALA B 2 852 ? 17.725 -51.527 66.128 1.00 84.01 ? 1530 ALA A C 1 ATOM 11717 O O . ALA B 2 852 ? 18.671 -51.235 66.868 1.00 84.44 ? 1530 ALA A O 1 ATOM 11718 C CB . ALA B 2 852 ? 17.856 -51.841 63.661 1.00 81.91 ? 1530 ALA A CB 1 ATOM 11719 N N . ASP B 2 853 ? 16.529 -50.963 66.252 1.00 87.61 ? 1531 ASP A N 1 ATOM 11720 C CA . ASP B 2 853 ? 16.307 -49.793 67.084 1.00 98.57 ? 1531 ASP A CA 1 ATOM 11721 C C . ASP B 2 853 ? 15.441 -50.104 68.301 1.00 96.00 ? 1531 ASP A C 1 ATOM 11722 O O . ASP B 2 853 ? 14.758 -49.217 68.822 1.00 99.65 ? 1531 ASP A O 1 ATOM 11723 C CB . ASP B 2 853 ? 15.688 -48.676 66.247 1.00 110.70 ? 1531 ASP A CB 1 ATOM 11724 C CG . ASP B 2 853 ? 15.892 -47.305 66.856 1.00 123.01 ? 1531 ASP A CG 1 ATOM 11725 O OD1 . ASP B 2 853 ? 16.806 -47.153 67.695 1.00 125.55 ? 1531 ASP A OD1 1 ATOM 11726 O OD2 . ASP B 2 853 ? 15.139 -46.377 66.490 1.00 130.77 ? 1531 ASP A OD2 1 ATOM 11727 N N . CYS B 2 854 ? 15.460 -51.351 68.776 1.00 88.94 ? 1532 CYS A N 1 ATOM 11728 C CA . CYS B 2 854 ? 14.717 -51.695 69.981 1.00 88.18 ? 1532 CYS A CA 1 ATOM 11729 C C . CYS B 2 854 ? 15.566 -52.544 70.918 1.00 81.90 ? 1532 CYS A C 1 ATOM 11730 O O . CYS B 2 854 ? 16.597 -53.104 70.539 1.00 66.23 ? 1532 CYS A O 1 ATOM 11731 C CB . CYS B 2 854 ? 13.398 -52.402 69.667 1.00 83.82 ? 1532 CYS A CB 1 ATOM 11732 S SG . CYS B 2 854 ? 13.418 -53.778 68.525 1.00 73.83 ? 1532 CYS A SG 1 ATOM 11733 N N . GLY B 2 855 ? 15.096 -52.635 72.160 1.00 75.74 ? 1533 GLY A N 1 ATOM 11734 C CA . GLY B 2 855 ? 15.906 -53.180 73.224 1.00 77.57 ? 1533 GLY A CA 1 ATOM 11735 C C . GLY B 2 855 ? 16.049 -54.686 73.176 1.00 74.92 ? 1533 GLY A C 1 ATOM 11736 O O . GLY B 2 855 ? 15.209 -55.413 72.648 1.00 73.17 ? 1533 GLY A O 1 ATOM 11737 N N . GLN B 2 856 ? 17.156 -55.147 73.753 1.00 74.97 ? 1534 GLN A N 1 ATOM 11738 C CA . GLN B 2 856 ? 17.476 -56.563 73.861 1.00 78.10 ? 1534 GLN A CA 1 ATOM 11739 C C . GLN B 2 856 ? 17.599 -56.908 75.338 1.00 80.01 ? 1534 GLN A C 1 ATOM 11740 O O . GLN B 2 856 ? 18.415 -56.314 76.052 1.00 80.92 ? 1534 GLN A O 1 ATOM 11741 C CB . GLN B 2 856 ? 18.769 -56.891 73.110 1.00 77.79 ? 1534 GLN A CB 1 ATOM 11742 C CG . GLN B 2 856 ? 18.830 -56.310 71.698 1.00 75.67 ? 1534 GLN A CG 1 ATOM 11743 C CD . GLN B 2 856 ? 17.795 -56.908 70.756 1.00 73.99 ? 1534 GLN A CD 1 ATOM 11744 O OE1 . GLN B 2 856 ? 17.696 -58.127 70.615 1.00 77.67 ? 1534 GLN A OE1 1 ATOM 11745 N NE2 . GLN B 2 856 ? 17.022 -56.047 70.102 1.00 68.29 ? 1534 GLN A NE2 1 ATOM 11746 N N . MET B 2 857 ? 16.776 -57.843 75.798 1.00 79.33 ? 1535 MET A N 1 ATOM 11747 C CA . MET B 2 857 ? 16.826 -58.243 77.194 1.00 80.90 ? 1535 MET A CA 1 ATOM 11748 C C . MET B 2 857 ? 18.136 -58.961 77.480 1.00 82.33 ? 1535 MET A C 1 ATOM 11749 O O . MET B 2 857 ? 18.638 -59.724 76.650 1.00 81.12 ? 1535 MET A O 1 ATOM 11750 C CB . MET B 2 857 ? 15.638 -59.142 77.533 1.00 81.93 ? 1535 MET A CB 1 ATOM 11751 C CG . MET B 2 857 ? 15.514 -59.467 79.008 1.00 87.02 ? 1535 MET A CG 1 ATOM 11752 S SD . MET B 2 857 ? 13.926 -60.216 79.415 1.00 90.33 ? 1535 MET A SD 1 ATOM 11753 C CE . MET B 2 857 ? 14.092 -61.825 78.641 1.00 92.82 ? 1535 MET A CE 1 ATOM 11754 N N . GLN B 2 858 ? 18.700 -58.694 78.656 1.00 85.58 ? 1536 GLN A N 1 ATOM 11755 C CA . GLN B 2 858 ? 19.935 -59.343 79.064 1.00 88.48 ? 1536 GLN A CA 1 ATOM 11756 C C . GLN B 2 858 ? 19.716 -60.840 79.263 1.00 89.43 ? 1536 GLN A C 1 ATOM 11757 O O . GLN B 2 858 ? 18.588 -61.320 79.402 1.00 83.72 ? 1536 GLN A O 1 ATOM 11758 C CB . GLN B 2 858 ? 20.470 -58.718 80.352 1.00 90.42 ? 1536 GLN A CB 1 ATOM 11759 C CG . GLN B 2 858 ? 21.155 -57.378 80.153 1.00 90.99 ? 1536 GLN A CG 1 ATOM 11760 C CD . GLN B 2 858 ? 22.496 -57.505 79.458 1.00 93.06 ? 1536 GLN A CD 1 ATOM 11761 O OE1 . GLN B 2 858 ? 23.154 -58.544 79.536 1.00 95.39 ? 1536 GLN A OE1 1 ATOM 11762 N NE2 . GLN B 2 858 ? 22.909 -56.445 78.774 1.00 89.66 ? 1536 GLN A NE2 1 ATOM 11763 N N . GLU B 2 859 ? 20.821 -61.582 79.267 1.00 92.88 ? 1537 GLU A N 1 ATOM 11764 C CA . GLU B 2 859 ? 20.744 -63.013 79.516 1.00 98.44 ? 1537 GLU A CA 1 ATOM 11765 C C . GLU B 2 859 ? 20.234 -63.274 80.927 1.00 90.20 ? 1537 GLU A C 1 ATOM 11766 O O . GLU B 2 859 ? 20.660 -62.632 81.890 1.00 91.40 ? 1537 GLU A O 1 ATOM 11767 C CB . GLU B 2 859 ? 22.111 -63.665 79.311 1.00 106.31 ? 1537 GLU A CB 1 ATOM 11768 C CG . GLU B 2 859 ? 22.450 -63.956 77.860 1.00 111.44 ? 1537 GLU A CG 1 ATOM 11769 C CD . GLU B 2 859 ? 21.505 -64.963 77.237 1.00 116.78 ? 1537 GLU A CD 1 ATOM 11770 O OE1 . GLU B 2 859 ? 21.112 -64.766 76.067 1.00 117.99 ? 1537 GLU A OE1 1 ATOM 11771 O OE2 . GLU B 2 859 ? 21.149 -65.947 77.919 1.00 119.72 ? 1537 GLU A OE2 1 ATOM 11772 N N . GLU B 2 860 ? 19.307 -64.220 81.038 1.00 90.63 ? 1538 GLU A N 1 ATOM 11773 C CA . GLU B 2 860 ? 18.633 -64.485 82.303 1.00 95.56 ? 1538 GLU A CA 1 ATOM 11774 C C . GLU B 2 860 ? 19.610 -65.076 83.312 1.00 97.28 ? 1538 GLU A C 1 ATOM 11775 O O . GLU B 2 860 ? 20.220 -66.120 83.057 1.00 97.75 ? 1538 GLU A O 1 ATOM 11776 C CB . GLU B 2 860 ? 17.458 -65.429 82.072 1.00 99.97 ? 1538 GLU A CB 1 ATOM 11777 C CG . GLU B 2 860 ? 16.522 -65.560 83.251 1.00 108.66 ? 1538 GLU A CG 1 ATOM 11778 C CD . GLU B 2 860 ? 15.224 -66.240 82.878 1.00 114.65 ? 1538 GLU A CD 1 ATOM 11779 O OE1 . GLU B 2 860 ? 15.175 -66.872 81.802 1.00 113.90 ? 1538 GLU A OE1 1 ATOM 11780 O OE2 . GLU B 2 860 ? 14.252 -66.137 83.655 1.00 120.20 ? 1538 GLU A OE2 1 ATOM 11781 N N . LEU B 2 861 ? 19.750 -64.407 84.460 1.00 101.51 ? 1539 LEU A N 1 ATOM 11782 C CA . LEU B 2 861 ? 20.654 -64.835 85.533 1.00 107.10 ? 1539 LEU A CA 1 ATOM 11783 C C . LEU B 2 861 ? 22.089 -64.974 85.028 1.00 108.55 ? 1539 LEU A C 1 ATOM 11784 O O . LEU B 2 861 ? 22.789 -65.937 85.350 1.00 111.07 ? 1539 LEU A O 1 ATOM 11785 C CB . LEU B 2 861 ? 20.182 -66.142 86.180 1.00 103.48 ? 1539 LEU A CB 1 ATOM 11786 C CG . LEU B 2 861 ? 18.741 -66.218 86.688 1.00 103.25 ? 1539 LEU A CG 1 ATOM 11787 C CD1 . LEU B 2 861 ? 18.494 -67.543 87.395 1.00 106.67 ? 1539 LEU A CD1 1 ATOM 11788 C CD2 . LEU B 2 861 ? 18.425 -65.050 87.606 1.00 103.34 ? 1539 LEU A CD2 1 ATOM 11789 N N . ASP B 2 862 ? 22.530 -64.005 84.226 1.00 103.23 ? 1540 ASP A N 1 ATOM 11790 C CA . ASP B 2 862 ? 23.874 -64.029 83.659 1.00 100.94 ? 1540 ASP A CA 1 ATOM 11791 C C . ASP B 2 862 ? 24.844 -63.435 84.671 1.00 103.73 ? 1540 ASP A C 1 ATOM 11792 O O . ASP B 2 862 ? 24.787 -62.238 84.973 1.00 102.85 ? 1540 ASP A O 1 ATOM 11793 C CB . ASP B 2 862 ? 23.917 -63.270 82.337 1.00 107.18 ? 1540 ASP A CB 1 ATOM 11794 C CG . ASP B 2 862 ? 25.093 -63.680 81.463 1.00 108.58 ? 1540 ASP A CG 1 ATOM 11795 O OD1 . ASP B 2 862 ? 25.734 -64.707 81.771 1.00 113.02 ? 1540 ASP A OD1 1 ATOM 11796 O OD2 . ASP B 2 862 ? 25.370 -62.986 80.461 1.00 106.45 ? 1540 ASP A OD2 1 ATOM 11797 N N . LEU B 2 863 ? 25.738 -64.272 85.193 1.00 114.65 ? 1541 LEU A N 1 ATOM 11798 C CA . LEU B 2 863 ? 26.641 -63.878 86.264 1.00 110.85 ? 1541 LEU A CA 1 ATOM 11799 C C . LEU B 2 863 ? 27.922 -63.228 85.763 1.00 111.93 ? 1541 LEU A C 1 ATOM 11800 O O . LEU B 2 863 ? 28.695 -62.715 86.578 1.00 114.81 ? 1541 LEU A O 1 ATOM 11801 C CB . LEU B 2 863 ? 26.992 -65.094 87.126 1.00 114.86 ? 1541 LEU A CB 1 ATOM 11802 C CG . LEU B 2 863 ? 25.814 -65.919 87.647 1.00 114.69 ? 1541 LEU A CG 1 ATOM 11803 C CD1 . LEU B 2 863 ? 25.504 -67.087 86.720 1.00 113.97 ? 1541 LEU A CD1 1 ATOM 11804 C CD2 . LEU B 2 863 ? 26.099 -66.409 89.051 1.00 122.04 ? 1541 LEU A CD2 1 ATOM 11805 N N . THR B 2 864 ? 28.168 -63.234 84.453 1.00 113.04 ? 1542 THR A N 1 ATOM 11806 C CA . THR B 2 864 ? 29.371 -62.616 83.914 1.00 114.46 ? 1542 THR A CA 1 ATOM 11807 C C . THR B 2 864 ? 29.279 -61.097 83.844 1.00 115.08 ? 1542 THR A C 1 ATOM 11808 O O . THR B 2 864 ? 30.313 -60.445 83.656 1.00 111.37 ? 1542 THR A O 1 ATOM 11809 C CB . THR B 2 864 ? 29.676 -63.166 82.520 1.00 112.97 ? 1542 THR A CB 1 ATOM 11810 O OG1 . THR B 2 864 ? 30.827 -62.498 81.987 1.00 116.22 ? 1542 THR A OG1 1 ATOM 11811 C CG2 . THR B 2 864 ? 28.491 -62.951 81.588 1.00 107.45 ? 1542 THR A CG2 1 ATOM 11812 N N . ILE B 2 865 ? 28.086 -60.522 83.977 1.00 115.92 ? 1543 ILE A N 1 ATOM 11813 C CA . ILE B 2 865 ? 27.952 -59.069 83.999 1.00 120.84 ? 1543 ILE A CA 1 ATOM 11814 C C . ILE B 2 865 ? 28.625 -58.546 85.263 1.00 130.74 ? 1543 ILE A C 1 ATOM 11815 O O . ILE B 2 865 ? 28.279 -58.947 86.381 1.00 133.20 ? 1543 ILE A O 1 ATOM 11816 C CB . ILE B 2 865 ? 26.479 -58.641 83.915 1.00 116.98 ? 1543 ILE A CB 1 ATOM 11817 C CG1 . ILE B 2 865 ? 25.949 -58.773 82.481 1.00 110.87 ? 1543 ILE A CG1 1 ATOM 11818 C CG2 . ILE B 2 865 ? 26.322 -57.201 84.366 1.00 116.89 ? 1543 ILE A CG2 1 ATOM 11819 C CD1 . ILE B 2 865 ? 25.687 -60.187 82.021 1.00 109.26 ? 1543 ILE A CD1 1 ATOM 11820 N N . SER B 2 866 ? 29.580 -57.634 85.087 1.00 138.69 ? 1544 SER A N 1 ATOM 11821 C CA . SER B 2 866 ? 30.674 -57.437 86.033 1.00 149.04 ? 1544 SER A CA 1 ATOM 11822 C C . SER B 2 866 ? 30.475 -56.245 86.964 1.00 154.75 ? 1544 SER A C 1 ATOM 11823 O O . SER B 2 866 ? 31.461 -55.636 87.393 1.00 161.69 ? 1544 SER A O 1 ATOM 11824 C CB . SER B 2 866 ? 31.986 -57.294 85.264 1.00 152.14 ? 1544 SER A CB 1 ATOM 11825 O OG . SER B 2 866 ? 31.789 -56.555 84.070 1.00 149.86 ? 1544 SER A OG 1 ATOM 11826 N N . ALA B 2 867 ? 29.227 -55.893 87.286 1.00 148.87 ? 1545 ALA A N 1 ATOM 11827 C CA . ALA B 2 867 ? 28.925 -54.894 88.313 1.00 148.97 ? 1545 ALA A CA 1 ATOM 11828 C C . ALA B 2 867 ? 29.492 -53.506 88.016 1.00 147.59 ? 1545 ALA A C 1 ATOM 11829 O O . ALA B 2 867 ? 28.846 -52.498 88.319 1.00 147.31 ? 1545 ALA A O 1 ATOM 11830 C CB . ALA B 2 867 ? 29.425 -55.373 89.680 1.00 153.49 ? 1545 ALA A CB 1 ATOM 11831 N N . GLU B 2 868 ? 30.701 -53.431 87.455 1.00 147.31 ? 1546 GLU A N 1 ATOM 11832 C CA . GLU B 2 868 ? 31.259 -52.156 87.023 1.00 147.93 ? 1546 GLU A CA 1 ATOM 11833 C C . GLU B 2 868 ? 30.782 -51.759 85.634 1.00 144.71 ? 1546 GLU A C 1 ATOM 11834 O O . GLU B 2 868 ? 30.609 -50.564 85.362 1.00 142.57 ? 1546 GLU A O 1 ATOM 11835 C CB . GLU B 2 868 ? 32.790 -52.205 87.041 1.00 151.74 ? 1546 GLU A CB 1 ATOM 11836 C CG . GLU B 2 868 ? 33.431 -51.100 87.868 1.00 155.17 ? 1546 GLU A CG 1 ATOM 11837 C CD . GLU B 2 868 ? 34.654 -50.503 87.199 1.00 157.13 ? 1546 GLU A CD 1 ATOM 11838 O OE1 . GLU B 2 868 ? 34.775 -50.624 85.961 1.00 155.09 ? 1546 GLU A OE1 1 ATOM 11839 O OE2 . GLU B 2 868 ? 35.493 -49.911 87.911 1.00 160.66 ? 1546 GLU A OE2 1 ATOM 11840 N N . THR B 2 869 ? 30.577 -52.734 84.745 1.00 143.68 ? 1547 THR A N 1 ATOM 11841 C CA . THR B 2 869 ? 29.914 -52.454 83.480 1.00 139.71 ? 1547 THR A CA 1 ATOM 11842 C C . THR B 2 869 ? 28.443 -52.119 83.681 1.00 131.86 ? 1547 THR A C 1 ATOM 11843 O O . THR B 2 869 ? 27.854 -51.430 82.841 1.00 126.89 ? 1547 THR A O 1 ATOM 11844 C CB . THR B 2 869 ? 30.061 -53.644 82.528 1.00 140.41 ? 1547 THR A CB 1 ATOM 11845 O OG1 . THR B 2 869 ? 29.540 -54.826 83.149 1.00 141.56 ? 1547 THR A OG1 1 ATOM 11846 C CG2 . THR B 2 869 ? 31.526 -53.869 82.174 1.00 145.10 ? 1547 THR A CG2 1 ATOM 11847 N N . ARG B 2 870 ? 27.841 -52.587 84.777 1.00 128.71 ? 1548 ARG A N 1 ATOM 11848 C CA . ARG B 2 870 ? 26.479 -52.203 85.118 1.00 123.44 ? 1548 ARG A CA 1 ATOM 11849 C C . ARG B 2 870 ? 26.406 -50.801 85.707 1.00 129.97 ? 1548 ARG A C 1 ATOM 11850 O O . ARG B 2 870 ? 25.346 -50.169 85.645 1.00 129.72 ? 1548 ARG A O 1 ATOM 11851 C CB . ARG B 2 870 ? 25.877 -53.210 86.101 1.00 117.98 ? 1548 ARG A CB 1 ATOM 11852 C CG . ARG B 2 870 ? 24.421 -53.545 85.825 1.00 111.80 ? 1548 ARG A CG 1 ATOM 11853 C CD . ARG B 2 870 ? 23.796 -54.320 86.971 1.00 114.95 ? 1548 ARG A CD 1 ATOM 11854 N NE . ARG B 2 870 ? 24.479 -55.583 87.246 1.00 117.89 ? 1548 ARG A NE 1 ATOM 11855 C CZ . ARG B 2 870 ? 24.045 -56.772 86.842 1.00 114.79 ? 1548 ARG A CZ 1 ATOM 11856 N NH1 . ARG B 2 870 ? 22.926 -56.869 86.137 1.00 109.73 ? 1548 ARG A NH1 1 ATOM 11857 N NH2 . ARG B 2 870 ? 24.730 -57.867 87.144 1.00 117.23 ? 1548 ARG A NH2 1 ATOM 11858 N N . LYS B 2 871 ? 27.508 -50.305 86.270 1.00 136.15 ? 1549 LYS A N 1 ATOM 11859 C CA . LYS B 2 871 ? 27.573 -48.953 86.812 1.00 137.75 ? 1549 LYS A CA 1 ATOM 11860 C C . LYS B 2 871 ? 28.026 -47.940 85.769 1.00 137.54 ? 1549 LYS A C 1 ATOM 11861 O O . LYS B 2 871 ? 27.464 -46.843 85.689 1.00 137.94 ? 1549 LYS A O 1 ATOM 11862 C CB . LYS B 2 871 ? 28.514 -48.916 88.021 1.00 140.06 ? 1549 LYS A CB 1 ATOM 11863 C CG . LYS B 2 871 ? 28.691 -47.539 88.645 1.00 139.95 ? 1549 LYS A CG 1 ATOM 11864 C CD . LYS B 2 871 ? 30.063 -46.959 88.335 1.00 140.63 ? 1549 LYS A CD 1 ATOM 11865 C CE . LYS B 2 871 ? 30.264 -45.617 89.018 1.00 143.28 ? 1549 LYS A CE 1 ATOM 11866 N NZ . LYS B 2 871 ? 30.160 -45.721 90.500 1.00 146.32 ? 1549 LYS A NZ 1 ATOM 11867 N N . GLN B 2 872 ? 29.038 -48.287 84.970 1.00 137.47 ? 1550 GLN A N 1 ATOM 11868 C CA . GLN B 2 872 ? 29.484 -47.385 83.915 1.00 137.73 ? 1550 GLN A CA 1 ATOM 11869 C C . GLN B 2 872 ? 28.396 -47.168 82.871 1.00 133.44 ? 1550 GLN A C 1 ATOM 11870 O O . GLN B 2 872 ? 28.277 -46.069 82.318 1.00 136.87 ? 1550 GLN A O 1 ATOM 11871 C CB . GLN B 2 872 ? 30.757 -47.926 83.263 1.00 140.44 ? 1550 GLN A CB 1 ATOM 11872 C CG . GLN B 2 872 ? 31.346 -47.015 82.196 1.00 140.83 ? 1550 GLN A CG 1 ATOM 11873 C CD . GLN B 2 872 ? 32.681 -47.511 81.677 1.00 142.40 ? 1550 GLN A CD 1 ATOM 11874 O OE1 . GLN B 2 872 ? 33.288 -48.412 82.256 1.00 145.01 ? 1550 GLN A OE1 1 ATOM 11875 N NE2 . GLN B 2 872 ? 33.146 -46.924 80.579 1.00 140.71 ? 1550 GLN A NE2 1 ATOM 11876 N N . THR B 2 873 ? 27.590 -48.196 82.592 1.00 126.10 ? 1551 THR A N 1 ATOM 11877 C CA . THR B 2 873 ? 26.456 -48.015 81.692 1.00 119.06 ? 1551 THR A CA 1 ATOM 11878 C C . THR B 2 873 ? 25.395 -47.117 82.315 1.00 121.97 ? 1551 THR A C 1 ATOM 11879 O O . THR B 2 873 ? 24.738 -46.347 81.604 1.00 121.55 ? 1551 THR A O 1 ATOM 11880 C CB . THR B 2 873 ? 25.859 -49.374 81.316 1.00 108.67 ? 1551 THR A CB 1 ATOM 11881 O OG1 . THR B 2 873 ? 26.890 -50.218 80.790 1.00 110.54 ? 1551 THR A OG1 1 ATOM 11882 C CG2 . THR B 2 873 ? 24.776 -49.217 80.262 1.00 98.42 ? 1551 THR A CG2 1 ATOM 11883 N N . ALA B 2 874 ? 25.228 -47.185 83.637 1.00 126.03 ? 1552 ALA A N 1 ATOM 11884 C CA . ALA B 2 874 ? 24.251 -46.339 84.311 1.00 129.35 ? 1552 ALA A CA 1 ATOM 11885 C C . ALA B 2 874 ? 24.739 -44.899 84.427 1.00 136.12 ? 1552 ALA A C 1 ATOM 11886 O O . ALA B 2 874 ? 23.968 -43.960 84.200 1.00 135.62 ? 1552 ALA A O 1 ATOM 11887 C CB . ALA B 2 874 ? 23.934 -46.907 85.694 1.00 131.64 ? 1552 ALA A CB 1 ATOM 11888 N N . CYS B 2 875 ? 26.010 -44.707 84.773 1.00 143.87 ? 1553 CYS A N 1 ATOM 11889 C CA . CYS B 2 875 ? 26.587 -43.374 84.908 1.00 151.24 ? 1553 CYS A CA 1 ATOM 11890 C C . CYS B 2 875 ? 26.899 -42.718 83.569 1.00 150.30 ? 1553 CYS A C 1 ATOM 11891 O O . CYS B 2 875 ? 27.466 -41.619 83.558 1.00 152.26 ? 1553 CYS A O 1 ATOM 11892 C CB . CYS B 2 875 ? 27.857 -43.440 85.760 1.00 159.11 ? 1553 CYS A CB 1 ATOM 11893 S SG . CYS B 2 875 ? 27.553 -43.651 87.529 1.00 165.68 ? 1553 CYS A SG 1 ATOM 11894 N N . LYS B 2 876 ? 26.552 -43.355 82.456 1.00 147.49 ? 1554 LYS A N 1 ATOM 11895 C CA . LYS B 2 876 ? 26.797 -42.769 81.146 1.00 145.58 ? 1554 LYS A CA 1 ATOM 11896 C C . LYS B 2 876 ? 26.000 -41.474 81.000 1.00 147.55 ? 1554 LYS A C 1 ATOM 11897 O O . LYS B 2 876 ? 24.797 -41.457 81.299 1.00 149.35 ? 1554 LYS A O 1 ATOM 11898 C CB . LYS B 2 876 ? 26.408 -43.759 80.048 1.00 138.99 ? 1554 LYS A CB 1 ATOM 11899 C CG . LYS B 2 876 ? 26.619 -43.252 78.632 1.00 138.06 ? 1554 LYS A CG 1 ATOM 11900 C CD . LYS B 2 876 ? 28.091 -43.222 78.263 1.00 141.33 ? 1554 LYS A CD 1 ATOM 11901 C CE . LYS B 2 876 ? 28.282 -42.811 76.812 1.00 139.30 ? 1554 LYS A CE 1 ATOM 11902 N NZ . LYS B 2 876 ? 29.713 -42.856 76.403 1.00 141.49 ? 1554 LYS A NZ 1 ATOM 11903 N N . PRO B 2 877 ? 26.625 -40.375 80.565 1.00 148.73 ? 1555 PRO A N 1 ATOM 11904 C CA . PRO B 2 877 ? 25.870 -39.120 80.399 1.00 145.03 ? 1555 PRO A CA 1 ATOM 11905 C C . PRO B 2 877 ? 24.741 -39.218 79.388 1.00 135.51 ? 1555 PRO A C 1 ATOM 11906 O O . PRO B 2 877 ? 23.805 -38.411 79.447 1.00 131.74 ? 1555 PRO A O 1 ATOM 11907 C CB . PRO B 2 877 ? 26.944 -38.121 79.945 1.00 148.32 ? 1555 PRO A CB 1 ATOM 11908 C CG . PRO B 2 877 ? 28.235 -38.702 80.430 1.00 152.80 ? 1555 PRO A CG 1 ATOM 11909 C CD . PRO B 2 877 ? 28.066 -40.190 80.328 1.00 151.99 ? 1555 PRO A CD 1 ATOM 11910 N N . GLU B 2 878 ? 24.800 -40.178 78.463 1.00 133.14 ? 1556 GLU A N 1 ATOM 11911 C CA . GLU B 2 878 ? 23.711 -40.363 77.510 1.00 131.25 ? 1556 GLU A CA 1 ATOM 11912 C C . GLU B 2 878 ? 22.470 -40.935 78.184 1.00 126.49 ? 1556 GLU A C 1 ATOM 11913 O O . GLU B 2 878 ? 21.342 -40.577 77.827 1.00 121.43 ? 1556 GLU A O 1 ATOM 11914 C CB . GLU B 2 878 ? 24.162 -41.277 76.372 1.00 134.07 ? 1556 GLU A CB 1 ATOM 11915 C CG . GLU B 2 878 ? 25.009 -40.599 75.317 1.00 140.23 ? 1556 GLU A CG 1 ATOM 11916 C CD . GLU B 2 878 ? 25.332 -41.525 74.165 1.00 142.08 ? 1556 GLU A CD 1 ATOM 11917 O OE1 . GLU B 2 878 ? 25.505 -42.738 74.409 1.00 142.22 ? 1556 GLU A OE1 1 ATOM 11918 O OE2 . GLU B 2 878 ? 25.403 -41.044 73.015 1.00 142.44 ? 1556 GLU A OE2 1 ATOM 11919 N N . ILE B 2 879 ? 22.658 -41.825 79.154 1.00 129.17 ? 1557 ILE A N 1 ATOM 11920 C CA . ILE B 2 879 ? 21.549 -42.504 79.819 1.00 129.68 ? 1557 ILE A CA 1 ATOM 11921 C C . ILE B 2 879 ? 20.876 -41.517 80.768 1.00 132.89 ? 1557 ILE A C 1 ATOM 11922 O O . ILE B 2 879 ? 21.458 -41.117 81.780 1.00 137.37 ? 1557 ILE A O 1 ATOM 11923 C CB . ILE B 2 879 ? 22.026 -43.754 80.565 1.00 132.16 ? 1557 ILE A CB 1 ATOM 11924 C CG1 . ILE B 2 879 ? 22.781 -44.682 79.612 1.00 131.03 ? 1557 ILE A CG1 1 ATOM 11925 C CG2 . ILE B 2 879 ? 20.850 -44.479 81.196 1.00 131.24 ? 1557 ILE A CG2 1 ATOM 11926 C CD1 . ILE B 2 879 ? 21.988 -45.066 78.380 1.00 127.46 ? 1557 ILE A CD1 1 ATOM 11927 N N . ALA B 2 880 ? 19.640 -41.132 80.447 1.00 130.62 ? 1558 ALA A N 1 ATOM 11928 C CA . ALA B 2 880 ? 18.912 -40.167 81.265 1.00 129.34 ? 1558 ALA A CA 1 ATOM 11929 C C . ALA B 2 880 ? 18.416 -40.797 82.563 1.00 125.88 ? 1558 ALA A C 1 ATOM 11930 O O . ALA B 2 880 ? 18.759 -40.341 83.659 1.00 127.13 ? 1558 ALA A O 1 ATOM 11931 C CB . ALA B 2 880 ? 17.742 -39.581 80.469 1.00 127.63 ? 1558 ALA A CB 1 ATOM 11932 N N . TYR B 2 881 ? 17.601 -41.844 82.457 1.00 121.26 ? 1559 TYR A N 1 ATOM 11933 C CA . TYR B 2 881 ? 17.023 -42.490 83.625 1.00 118.28 ? 1559 TYR A CA 1 ATOM 11934 C C . TYR B 2 881 ? 17.593 -43.892 83.786 1.00 115.91 ? 1559 TYR A C 1 ATOM 11935 O O . TYR B 2 881 ? 18.109 -44.493 82.840 1.00 117.54 ? 1559 TYR A O 1 ATOM 11936 C CB . TYR B 2 881 ? 15.492 -42.558 83.530 1.00 114.22 ? 1559 TYR A CB 1 ATOM 11937 C CG . TYR B 2 881 ? 14.965 -43.618 82.582 1.00 107.69 ? 1559 TYR A CG 1 ATOM 11938 C CD1 . TYR B 2 881 ? 14.856 -43.368 81.219 1.00 101.36 ? 1559 TYR A CD1 1 ATOM 11939 C CD2 . TYR B 2 881 ? 14.566 -44.864 83.051 1.00 106.63 ? 1559 TYR A CD2 1 ATOM 11940 C CE1 . TYR B 2 881 ? 14.375 -44.332 80.351 1.00 96.82 ? 1559 TYR A CE1 1 ATOM 11941 C CE2 . TYR B 2 881 ? 14.083 -45.833 82.189 1.00 102.21 ? 1559 TYR A CE2 1 ATOM 11942 C CZ . TYR B 2 881 ? 13.990 -45.561 80.841 1.00 98.12 ? 1559 TYR A CZ 1 ATOM 11943 O OH . TYR B 2 881 ? 13.509 -46.523 79.983 1.00 97.97 ? 1559 TYR A OH 1 ATOM 11944 N N . ALA B 2 882 ? 17.477 -44.410 85.007 1.00 113.72 ? 1560 ALA A N 1 ATOM 11945 C CA . ALA B 2 882 ? 17.972 -45.740 85.332 1.00 111.46 ? 1560 ALA A CA 1 ATOM 11946 C C . ALA B 2 882 ? 17.440 -46.165 86.690 1.00 110.75 ? 1560 ALA A C 1 ATOM 11947 O O . ALA B 2 882 ? 17.846 -45.601 87.711 1.00 116.65 ? 1560 ALA A O 1 ATOM 11948 C CB . ALA B 2 882 ? 19.503 -45.765 85.335 1.00 115.43 ? 1560 ALA A CB 1 ATOM 11949 N N . TYR B 2 883 ? 16.534 -47.140 86.724 1.00 105.67 ? 1561 TYR A N 1 ATOM 11950 C CA . TYR B 2 883 ? 16.004 -47.602 88.000 1.00 108.66 ? 1561 TYR A CA 1 ATOM 11951 C C . TYR B 2 883 ? 15.373 -48.980 87.830 1.00 104.58 ? 1561 TYR A C 1 ATOM 11952 O O . TYR B 2 883 ? 15.298 -49.527 86.725 1.00 99.19 ? 1561 TYR A O 1 ATOM 11953 C CB . TYR B 2 883 ? 15.013 -46.594 88.591 1.00 112.87 ? 1561 TYR A CB 1 ATOM 11954 C CG . TYR B 2 883 ? 13.966 -46.054 87.642 1.00 109.59 ? 1561 TYR A CG 1 ATOM 11955 C CD1 . TYR B 2 883 ? 12.892 -46.837 87.243 1.00 107.25 ? 1561 TYR A CD1 1 ATOM 11956 C CD2 . TYR B 2 883 ? 14.029 -44.744 87.181 1.00 108.15 ? 1561 TYR A CD2 1 ATOM 11957 C CE1 . TYR B 2 883 ? 11.925 -46.340 86.393 1.00 103.94 ? 1561 TYR A CE1 1 ATOM 11958 C CE2 . TYR B 2 883 ? 13.065 -44.239 86.330 1.00 104.04 ? 1561 TYR A CE2 1 ATOM 11959 C CZ . TYR B 2 883 ? 12.016 -45.043 85.942 1.00 103.56 ? 1561 TYR A CZ 1 ATOM 11960 O OH . TYR B 2 883 ? 11.049 -44.558 85.098 1.00 105.33 ? 1561 TYR A OH 1 ATOM 11961 N N . LYS B 2 884 ? 14.919 -49.533 88.953 1.00 107.72 ? 1562 LYS A N 1 ATOM 11962 C CA . LYS B 2 884 ? 14.406 -50.893 89.047 1.00 104.78 ? 1562 LYS A CA 1 ATOM 11963 C C . LYS B 2 884 ? 12.898 -50.857 89.257 1.00 106.15 ? 1562 LYS A C 1 ATOM 11964 O O . LYS B 2 884 ? 12.406 -50.135 90.131 1.00 103.13 ? 1562 LYS A O 1 ATOM 11965 C CB . LYS B 2 884 ? 15.091 -51.642 90.193 1.00 105.79 ? 1562 LYS A CB 1 ATOM 11966 C CG . LYS B 2 884 ? 14.413 -52.928 90.621 1.00 105.51 ? 1562 LYS A CG 1 ATOM 11967 C CD . LYS B 2 884 ? 13.949 -52.831 92.063 1.00 108.21 ? 1562 LYS A CD 1 ATOM 11968 C CE . LYS B 2 884 ? 13.727 -54.204 92.664 1.00 109.83 ? 1562 LYS A CE 1 ATOM 11969 N NZ . LYS B 2 884 ? 15.002 -54.961 92.777 1.00 110.24 ? 1562 LYS A NZ 1 ATOM 11970 N N . VAL B 2 885 ? 12.171 -51.641 88.459 1.00 104.25 ? 1563 VAL A N 1 ATOM 11971 C CA . VAL B 2 885 ? 10.715 -51.625 88.447 1.00 103.97 ? 1563 VAL A CA 1 ATOM 11972 C C . VAL B 2 885 ? 10.188 -53.052 88.540 1.00 97.44 ? 1563 VAL A C 1 ATOM 11973 O O . VAL B 2 885 ? 10.936 -54.028 88.467 1.00 96.81 ? 1563 VAL A O 1 ATOM 11974 C CB . VAL B 2 885 ? 10.146 -50.929 87.190 1.00 99.77 ? 1563 VAL A CB 1 ATOM 11975 C CG1 . VAL B 2 885 ? 10.537 -49.464 87.164 1.00 94.64 ? 1563 VAL A CG1 1 ATOM 11976 C CG2 . VAL B 2 885 ? 10.622 -51.632 85.932 1.00 90.10 ? 1563 VAL A CG2 1 ATOM 11977 N N . SER B 2 886 ? 8.869 -53.152 88.700 1.00 98.59 ? 1564 SER A N 1 ATOM 11978 C CA . SER B 2 886 ? 8.153 -54.422 88.722 1.00 99.31 ? 1564 SER A CA 1 ATOM 11979 C C . SER B 2 886 ? 6.933 -54.294 87.823 1.00 98.63 ? 1564 SER A C 1 ATOM 11980 O O . SER B 2 886 ? 6.113 -53.393 88.015 1.00 102.29 ? 1564 SER A O 1 ATOM 11981 C CB . SER B 2 886 ? 7.732 -54.799 90.145 1.00 104.06 ? 1564 SER A CB 1 ATOM 11982 O OG . SER B 2 886 ? 6.892 -55.940 90.136 1.00 104.58 ? 1564 SER A OG 1 ATOM 11983 N N . ILE B 2 887 ? 6.810 -55.195 86.856 1.00 94.71 ? 1565 ILE A N 1 ATOM 11984 C CA . ILE B 2 887 ? 5.756 -55.099 85.852 1.00 92.95 ? 1565 ILE A CA 1 ATOM 11985 C C . ILE B 2 887 ? 4.434 -55.568 86.437 1.00 96.18 ? 1565 ILE A C 1 ATOM 11986 O O . ILE B 2 887 ? 4.370 -56.593 87.124 1.00 116.74 ? 1565 ILE A O 1 ATOM 11987 C CB . ILE B 2 887 ? 6.132 -55.916 84.607 1.00 101.52 ? 1565 ILE A CB 1 ATOM 11988 C CG1 . ILE B 2 887 ? 7.424 -55.375 84.014 1.00 86.79 ? 1565 ILE A CG1 1 ATOM 11989 C CG2 . ILE B 2 887 ? 5.022 -55.864 83.574 1.00 88.13 ? 1565 ILE A CG2 1 ATOM 11990 C CD1 . ILE B 2 887 ? 7.812 -56.068 82.771 1.00 83.85 ? 1565 ILE A CD1 1 ATOM 11991 N N . THR B 2 888 ? 3.368 -54.822 86.152 1.00 102.97 ? 1566 THR A N 1 ATOM 11992 C CA . THR B 2 888 ? 2.039 -55.145 86.654 1.00 106.92 ? 1566 THR A CA 1 ATOM 11993 C C . THR B 2 888 ? 1.072 -55.628 85.584 1.00 107.36 ? 1566 THR A C 1 ATOM 11994 O O . THR B 2 888 ? 0.230 -56.481 85.879 1.00 111.20 ? 1566 THR A O 1 ATOM 11995 C CB . THR B 2 888 ? 1.422 -53.928 87.357 1.00 108.33 ? 1566 THR A CB 1 ATOM 11996 O OG1 . THR B 2 888 ? 0.889 -53.023 86.384 1.00 107.07 ? 1566 THR A OG1 1 ATOM 11997 C CG2 . THR B 2 888 ? 2.469 -53.207 88.179 1.00 109.12 ? 1566 THR A CG2 1 ATOM 11998 N N . SER B 2 889 ? 1.159 -55.116 84.355 1.00 106.75 ? 1567 SER A N 1 ATOM 11999 C CA . SER B 2 889 ? 0.202 -55.499 83.323 1.00 106.32 ? 1567 SER A CA 1 ATOM 12000 C C . SER B 2 889 ? 0.835 -55.398 81.943 1.00 99.60 ? 1567 SER A C 1 ATOM 12001 O O . SER B 2 889 ? 1.725 -54.579 81.708 1.00 95.85 ? 1567 SER A O 1 ATOM 12002 C CB . SER B 2 889 ? -1.062 -54.632 83.375 1.00 111.45 ? 1567 SER A CB 1 ATOM 12003 O OG . SER B 2 889 ? -1.729 -54.785 84.614 1.00 120.68 ? 1567 SER A OG 1 ATOM 12004 N N . ILE B 2 890 ? 0.358 -56.244 81.030 1.00 99.32 ? 1568 ILE A N 1 ATOM 12005 C CA . ILE B 2 890 ? 0.764 -56.220 79.631 1.00 93.45 ? 1568 ILE A CA 1 ATOM 12006 C C . ILE B 2 890 ? -0.430 -55.771 78.804 1.00 92.78 ? 1568 ILE A C 1 ATOM 12007 O O . ILE B 2 890 ? -1.580 -56.087 79.123 1.00 98.43 ? 1568 ILE A O 1 ATOM 12008 C CB . ILE B 2 890 ? 1.267 -57.592 79.133 1.00 90.41 ? 1568 ILE A CB 1 ATOM 12009 C CG1 . ILE B 2 890 ? 1.969 -58.366 80.251 1.00 90.93 ? 1568 ILE A CG1 1 ATOM 12010 C CG2 . ILE B 2 890 ? 2.208 -57.411 77.963 1.00 81.08 ? 1568 ILE A CG2 1 ATOM 12011 C CD1 . ILE B 2 890 ? 3.324 -57.823 80.620 1.00 84.78 ? 1568 ILE A CD1 1 ATOM 12012 N N . THR B 2 891 ? -0.157 -55.033 77.731 1.00 89.45 ? 1569 THR A N 1 ATOM 12013 C CA . THR B 2 891 ? -1.222 -54.580 76.845 1.00 91.17 ? 1569 THR A CA 1 ATOM 12014 C C . THR B 2 891 ? -0.670 -54.429 75.435 1.00 94.16 ? 1569 THR A C 1 ATOM 12015 O O . THR B 2 891 ? 0.474 -54.008 75.252 1.00 94.39 ? 1569 THR A O 1 ATOM 12016 C CB . THR B 2 891 ? -1.824 -53.251 77.320 1.00 89.16 ? 1569 THR A CB 1 ATOM 12017 O OG1 . THR B 2 891 ? -2.135 -53.334 78.717 1.00 92.65 ? 1569 THR A OG1 1 ATOM 12018 C CG2 . THR B 2 891 ? -3.096 -52.939 76.550 1.00 86.09 ? 1569 THR A CG2 1 ATOM 12019 N N . VAL B 2 892 ? -1.486 -54.774 74.442 1.00 97.36 ? 1570 VAL A N 1 ATOM 12020 C CA . VAL B 2 892 ? -1.109 -54.665 73.036 1.00 96.95 ? 1570 VAL A CA 1 ATOM 12021 C C . VAL B 2 892 ? -2.057 -53.676 72.375 1.00 102.36 ? 1570 VAL A C 1 ATOM 12022 O O . VAL B 2 892 ? -3.257 -53.951 72.242 1.00 106.47 ? 1570 VAL A O 1 ATOM 12023 C CB . VAL B 2 892 ? -1.146 -56.021 72.322 1.00 93.78 ? 1570 VAL A CB 1 ATOM 12024 C CG1 . VAL B 2 892 ? -0.768 -55.847 70.858 1.00 91.53 ? 1570 VAL A CG1 1 ATOM 12025 C CG2 . VAL B 2 892 ? -0.219 -57.010 73.014 1.00 92.42 ? 1570 VAL A CG2 1 ATOM 12026 N N . GLU B 2 893 ? -1.523 -52.533 71.949 1.00 103.57 ? 1571 GLU A N 1 ATOM 12027 C CA . GLU B 2 893 ? -2.307 -51.461 71.341 1.00 109.35 ? 1571 GLU A CA 1 ATOM 12028 C C . GLU B 2 893 ? -1.791 -51.212 69.931 1.00 109.52 ? 1571 GLU A C 1 ATOM 12029 O O . GLU B 2 893 ? -0.711 -50.637 69.754 1.00 109.79 ? 1571 GLU A O 1 ATOM 12030 C CB . GLU B 2 893 ? -2.232 -50.185 72.176 1.00 116.04 ? 1571 GLU A CB 1 ATOM 12031 C CG . GLU B 2 893 ? -3.187 -50.151 73.353 1.00 127.53 ? 1571 GLU A CG 1 ATOM 12032 C CD . GLU B 2 893 ? -2.863 -49.036 74.326 1.00 134.74 ? 1571 GLU A CD 1 ATOM 12033 O OE1 . GLU B 2 893 ? -2.309 -49.334 75.404 1.00 139.26 ? 1571 GLU A OE1 1 ATOM 12034 O OE2 . GLU B 2 893 ? -3.152 -47.863 74.008 1.00 137.70 ? 1571 GLU A OE2 1 ATOM 12035 N N . ASN B 2 894 ? -2.566 -51.645 68.935 1.00 109.04 ? 1572 ASN A N 1 ATOM 12036 C CA . ASN B 2 894 ? -2.263 -51.395 67.530 1.00 102.30 ? 1572 ASN A CA 1 ATOM 12037 C C . ASN B 2 894 ? -0.909 -51.974 67.138 1.00 91.49 ? 1572 ASN A C 1 ATOM 12038 O O . ASN B 2 894 ? -0.782 -53.182 66.909 1.00 89.94 ? 1572 ASN A O 1 ATOM 12039 C CB . ASN B 2 894 ? -2.306 -49.892 67.235 1.00 103.32 ? 1572 ASN A CB 1 ATOM 12040 C CG . ASN B 2 894 ? -2.567 -49.590 65.773 1.00 103.25 ? 1572 ASN A CG 1 ATOM 12041 O OD1 . ASN B 2 894 ? -3.181 -50.388 65.064 1.00 107.22 ? 1572 ASN A OD1 1 ATOM 12042 N ND2 . ASN B 2 894 ? -2.104 -48.432 65.315 1.00 97.39 ? 1572 ASN A ND2 1 ATOM 12043 N N . VAL B 2 895 ? 0.108 -51.117 67.061 1.00 83.53 ? 1573 VAL A N 1 ATOM 12044 C CA . VAL B 2 895 ? 1.441 -51.508 66.617 1.00 76.23 ? 1573 VAL A CA 1 ATOM 12045 C C . VAL B 2 895 ? 2.450 -51.521 67.753 1.00 73.47 ? 1573 VAL A C 1 ATOM 12046 O O . VAL B 2 895 ? 3.637 -51.779 67.508 1.00 71.63 ? 1573 VAL A O 1 ATOM 12047 C CB . VAL B 2 895 ? 1.937 -50.595 65.479 1.00 70.08 ? 1573 VAL A CB 1 ATOM 12048 C CG1 . VAL B 2 895 ? 2.879 -51.349 64.551 1.00 69.80 ? 1573 VAL A CG1 1 ATOM 12049 C CG2 . VAL B 2 895 ? 0.760 -50.022 64.707 1.00 73.77 ? 1573 VAL A CG2 1 ATOM 12050 N N . PHE B 2 896 ? 2.028 -51.243 68.982 1.00 71.30 ? 1574 PHE A N 1 ATOM 12051 C CA . PHE B 2 896 ? 2.949 -51.131 70.101 1.00 70.88 ? 1574 PHE A CA 1 ATOM 12052 C C . PHE B 2 896 ? 2.455 -51.983 71.259 1.00 71.61 ? 1574 PHE A C 1 ATOM 12053 O O . PHE B 2 896 ? 1.301 -52.421 71.298 1.00 70.14 ? 1574 PHE A O 1 ATOM 12054 C CB . PHE B 2 896 ? 3.122 -49.670 70.545 1.00 66.42 ? 1574 PHE A CB 1 ATOM 12055 C CG . PHE B 2 896 ? 3.727 -48.791 69.493 1.00 64.73 ? 1574 PHE A CG 1 ATOM 12056 C CD1 . PHE B 2 896 ? 5.093 -48.806 69.261 1.00 67.74 ? 1574 PHE A CD1 1 ATOM 12057 C CD2 . PHE B 2 896 ? 2.931 -47.957 68.726 1.00 64.90 ? 1574 PHE A CD2 1 ATOM 12058 C CE1 . PHE B 2 896 ? 5.652 -48.004 68.283 1.00 66.71 ? 1574 PHE A CE1 1 ATOM 12059 C CE2 . PHE B 2 896 ? 3.485 -47.154 67.752 1.00 63.62 ? 1574 PHE A CE2 1 ATOM 12060 C CZ . PHE B 2 896 ? 4.847 -47.177 67.530 1.00 62.28 ? 1574 PHE A CZ 1 ATOM 12061 N N . VAL B 2 897 ? 3.356 -52.221 72.207 1.00 70.19 ? 1575 VAL A N 1 ATOM 12062 C CA . VAL B 2 897 ? 3.061 -52.960 73.427 1.00 72.47 ? 1575 VAL A CA 1 ATOM 12063 C C . VAL B 2 897 ? 3.386 -52.059 74.609 1.00 71.85 ? 1575 VAL A C 1 ATOM 12064 O O . VAL B 2 897 ? 4.491 -51.503 74.686 1.00 70.73 ? 1575 VAL A O 1 ATOM 12065 C CB . VAL B 2 897 ? 3.855 -54.277 73.499 1.00 72.77 ? 1575 VAL A CB 1 ATOM 12066 C CG1 . VAL B 2 897 ? 3.589 -54.989 74.814 1.00 75.64 ? 1575 VAL A CG1 1 ATOM 12067 C CG2 . VAL B 2 897 ? 3.497 -55.171 72.327 1.00 70.00 ? 1575 VAL A CG2 1 ATOM 12068 N N . LYS B 2 898 ? 2.420 -51.904 75.513 1.00 76.80 ? 1576 LYS A N 1 ATOM 12069 C CA . LYS B 2 898 ? 2.571 -51.112 76.727 1.00 80.99 ? 1576 LYS A CA 1 ATOM 12070 C C . LYS B 2 898 ? 2.671 -52.031 77.938 1.00 77.99 ? 1576 LYS A C 1 ATOM 12071 O O . LYS B 2 898 ? 1.880 -52.971 78.081 1.00 79.52 ? 1576 LYS A O 1 ATOM 12072 C CB . LYS B 2 898 ? 1.399 -50.142 76.904 1.00 77.85 ? 1576 LYS A CB 1 ATOM 12073 C CG . LYS B 2 898 ? 1.225 -49.149 75.769 1.00 76.20 ? 1576 LYS A CG 1 ATOM 12074 C CD . LYS B 2 898 ? 0.398 -47.956 76.215 1.00 82.88 ? 1576 LYS A CD 1 ATOM 12075 C CE . LYS B 2 898 ? 0.173 -46.972 75.082 1.00 85.39 ? 1576 LYS A CE 1 ATOM 12076 N NZ . LYS B 2 898 ? -0.589 -45.778 75.545 1.00 90.95 ? 1576 LYS A NZ 1 ATOM 12077 N N . TYR B 2 899 ? 3.640 -51.752 78.804 1.00 78.42 ? 1577 TYR A N 1 ATOM 12078 C CA . TYR B 2 899 ? 3.862 -52.489 80.042 1.00 85.02 ? 1577 TYR A CA 1 ATOM 12079 C C . TYR B 2 899 ? 3.599 -51.547 81.209 1.00 88.31 ? 1577 TYR A C 1 ATOM 12080 O O . TYR B 2 899 ? 4.324 -50.564 81.395 1.00 83.35 ? 1577 TYR A O 1 ATOM 12081 C CB . TYR B 2 899 ? 5.284 -53.043 80.107 1.00 79.37 ? 1577 TYR A CB 1 ATOM 12082 C CG . TYR B 2 899 ? 5.601 -54.052 79.033 1.00 86.46 ? 1577 TYR A CG 1 ATOM 12083 C CD1 . TYR B 2 899 ? 5.258 -55.387 79.188 1.00 86.38 ? 1577 TYR A CD1 1 ATOM 12084 C CD2 . TYR B 2 899 ? 6.245 -53.672 77.863 1.00 74.37 ? 1577 TYR A CD2 1 ATOM 12085 C CE1 . TYR B 2 899 ? 5.544 -56.319 78.207 1.00 84.25 ? 1577 TYR A CE1 1 ATOM 12086 C CE2 . TYR B 2 899 ? 6.537 -54.597 76.877 1.00 76.77 ? 1577 TYR A CE2 1 ATOM 12087 C CZ . TYR B 2 899 ? 6.185 -55.917 77.053 1.00 80.09 ? 1577 TYR A CZ 1 ATOM 12088 O OH . TYR B 2 899 ? 6.472 -56.840 76.074 1.00 79.90 ? 1577 TYR A OH 1 ATOM 12089 N N . LYS B 2 900 ? 2.560 -51.841 81.983 1.00 92.36 ? 1578 LYS A N 1 ATOM 12090 C CA . LYS B 2 900 ? 2.320 -51.135 83.233 1.00 98.16 ? 1578 LYS A CA 1 ATOM 12091 C C . LYS B 2 900 ? 3.210 -51.739 84.311 1.00 95.19 ? 1578 LYS A C 1 ATOM 12092 O O . LYS B 2 900 ? 3.116 -52.938 84.599 1.00 97.92 ? 1578 LYS A O 1 ATOM 12093 C CB . LYS B 2 900 ? 0.849 -51.229 83.630 1.00 104.71 ? 1578 LYS A CB 1 ATOM 12094 C CG . LYS B 2 900 ? -0.133 -50.820 82.547 1.00 105.60 ? 1578 LYS A CG 1 ATOM 12095 C CD . LYS B 2 900 ? -1.557 -51.042 83.024 1.00 113.51 ? 1578 LYS A CD 1 ATOM 12096 C CE . LYS B 2 900 ? -2.568 -50.824 81.914 1.00 115.84 ? 1578 LYS A CE 1 ATOM 12097 N NZ . LYS B 2 900 ? -3.952 -51.124 82.377 1.00 121.86 ? 1578 LYS A NZ 1 ATOM 12098 N N . ALA B 2 901 ? 4.076 -50.915 84.900 1.00 92.54 ? 1579 ALA A N 1 ATOM 12099 C CA . ALA B 2 901 ? 5.014 -51.354 85.921 1.00 94.16 ? 1579 ALA A CA 1 ATOM 12100 C C . ALA B 2 901 ? 4.959 -50.419 87.123 1.00 98.14 ? 1579 ALA A C 1 ATOM 12101 O O . ALA B 2 901 ? 4.444 -49.302 87.046 1.00 114.19 ? 1579 ALA A O 1 ATOM 12102 C CB . ALA B 2 901 ? 6.449 -51.417 85.380 1.00 91.15 ? 1579 ALA A CB 1 ATOM 12103 N N . THR B 2 902 ? 5.505 -50.892 88.241 1.00 100.79 ? 1580 THR A N 1 ATOM 12104 C CA . THR B 2 902 ? 5.605 -50.114 89.471 1.00 105.09 ? 1580 THR A CA 1 ATOM 12105 C C . THR B 2 902 ? 7.046 -49.657 89.655 1.00 104.54 ? 1580 THR A C 1 ATOM 12106 O O . THR B 2 902 ? 7.973 -50.467 89.555 1.00 102.94 ? 1580 THR A O 1 ATOM 12107 C CB . THR B 2 902 ? 5.156 -50.933 90.688 1.00 111.26 ? 1580 THR A CB 1 ATOM 12108 O OG1 . THR B 2 902 ? 3.815 -51.398 90.495 1.00 111.93 ? 1580 THR A OG1 1 ATOM 12109 C CG2 . THR B 2 902 ? 5.208 -50.086 91.951 1.00 114.29 ? 1580 THR A CG2 1 ATOM 12110 N N . LEU B 2 903 ? 7.234 -48.366 89.921 1.00 106.25 ? 1581 LEU A N 1 ATOM 12111 C CA . LEU B 2 903 ? 8.569 -47.815 90.143 1.00 110.37 ? 1581 LEU A CA 1 ATOM 12112 C C . LEU B 2 903 ? 8.999 -48.130 91.571 1.00 110.95 ? 1581 LEU A C 1 ATOM 12113 O O . LEU B 2 903 ? 8.459 -47.565 92.525 1.00 115.41 ? 1581 LEU A O 1 ATOM 12114 C CB . LEU B 2 903 ? 8.573 -46.311 89.888 1.00 110.68 ? 1581 LEU A CB 1 ATOM 12115 C CG . LEU B 2 903 ? 9.843 -45.693 89.297 1.00 107.96 ? 1581 LEU A CG 1 ATOM 12116 C CD1 . LEU B 2 903 ? 9.669 -44.194 89.170 1.00 110.25 ? 1581 LEU A CD1 1 ATOM 12117 C CD2 . LEU B 2 903 ? 11.079 -46.016 90.121 1.00 107.09 ? 1581 LEU A CD2 1 ATOM 12118 N N . LEU B 2 904 ? 9.987 -49.013 91.722 1.00 110.15 ? 1582 LEU A N 1 ATOM 12119 C CA . LEU B 2 904 ? 10.400 -49.466 93.046 1.00 130.72 ? 1582 LEU A CA 1 ATOM 12120 C C . LEU B 2 904 ? 11.493 -48.581 93.635 1.00 131.42 ? 1582 LEU A C 1 ATOM 12121 O O . LEU B 2 904 ? 11.221 -47.748 94.506 1.00 135.24 ? 1582 LEU A O 1 ATOM 12122 C CB . LEU B 2 904 ? 10.865 -50.923 92.986 1.00 112.92 ? 1582 LEU A CB 1 ATOM 12123 C CG . LEU B 2 904 ? 9.821 -51.997 93.309 1.00 113.98 ? 1582 LEU A CG 1 ATOM 12124 C CD1 . LEU B 2 904 ? 8.448 -51.632 92.770 1.00 114.99 ? 1582 LEU A CD1 1 ATOM 12125 C CD2 . LEU B 2 904 ? 10.259 -53.332 92.744 1.00 111.15 ? 1582 LEU A CD2 1 ATOM 12126 N N . ASP B 2 905 ? 12.731 -48.758 93.179 1.00 127.66 ? 1583 ASP A N 1 ATOM 12127 C CA . ASP B 2 905 ? 13.870 -47.994 93.672 1.00 131.04 ? 1583 ASP A CA 1 ATOM 12128 C C . ASP B 2 905 ? 14.443 -47.153 92.541 1.00 126.69 ? 1583 ASP A C 1 ATOM 12129 O O . ASP B 2 905 ? 14.784 -47.685 91.479 1.00 120.63 ? 1583 ASP A O 1 ATOM 12130 C CB . ASP B 2 905 ? 14.951 -48.917 94.243 1.00 137.80 ? 1583 ASP A CB 1 ATOM 12131 C CG . ASP B 2 905 ? 14.477 -49.694 95.456 1.00 144.72 ? 1583 ASP A CG 1 ATOM 12132 O OD1 . ASP B 2 905 ? 13.317 -50.155 95.457 1.00 145.07 ? 1583 ASP A OD1 1 ATOM 12133 O OD2 . ASP B 2 905 ? 15.267 -49.840 96.413 1.00 152.27 ? 1583 ASP A OD2 1 ATOM 12134 N N . ILE B 2 906 ? 14.551 -45.847 92.773 1.00 128.73 ? 1584 ILE A N 1 ATOM 12135 C CA . ILE B 2 906 ? 15.101 -44.920 91.790 1.00 124.04 ? 1584 ILE A CA 1 ATOM 12136 C C . ILE B 2 906 ? 16.614 -44.874 91.954 1.00 124.82 ? 1584 ILE A C 1 ATOM 12137 O O . ILE B 2 906 ? 17.122 -44.691 93.068 1.00 132.10 ? 1584 ILE A O 1 ATOM 12138 C CB . ILE B 2 906 ? 14.488 -43.518 91.950 1.00 123.75 ? 1584 ILE A CB 1 ATOM 12139 C CG1 . ILE B 2 906 ? 12.962 -43.598 91.976 1.00 116.82 ? 1584 ILE A CG1 1 ATOM 12140 C CG2 . ILE B 2 906 ? 14.949 -42.602 90.827 1.00 114.49 ? 1584 ILE A CG2 1 ATOM 12141 C CD1 . ILE B 2 906 ? 12.292 -42.260 92.164 1.00 119.78 ? 1584 ILE A CD1 1 ATOM 12142 N N . TYR B 2 907 ? 17.339 -45.041 90.845 1.00 117.39 ? 1585 TYR A N 1 ATOM 12143 C CA . TYR B 2 907 ? 18.794 -44.989 90.868 1.00 118.97 ? 1585 TYR A CA 1 ATOM 12144 C C . TYR B 2 907 ? 19.378 -43.810 90.106 1.00 120.55 ? 1585 TYR A C 1 ATOM 12145 O O . TYR B 2 907 ? 20.528 -43.441 90.367 1.00 123.45 ? 1585 TYR A O 1 ATOM 12146 C CB . TYR B 2 907 ? 19.389 -46.288 90.301 1.00 116.01 ? 1585 TYR A CB 1 ATOM 12147 C CG . TYR B 2 907 ? 19.008 -47.534 91.069 1.00 116.94 ? 1585 TYR A CG 1 ATOM 12148 C CD1 . TYR B 2 907 ? 18.870 -47.509 92.451 1.00 122.27 ? 1585 TYR A CD1 1 ATOM 12149 C CD2 . TYR B 2 907 ? 18.782 -48.736 90.411 1.00 111.89 ? 1585 TYR A CD2 1 ATOM 12150 C CE1 . TYR B 2 907 ? 18.521 -48.647 93.155 1.00 122.81 ? 1585 TYR A CE1 1 ATOM 12151 C CE2 . TYR B 2 907 ? 18.431 -49.877 91.105 1.00 112.46 ? 1585 TYR A CE2 1 ATOM 12152 C CZ . TYR B 2 907 ? 18.302 -49.827 92.476 1.00 118.34 ? 1585 TYR A CZ 1 ATOM 12153 O OH . TYR B 2 907 ? 17.953 -50.964 93.169 1.00 121.01 ? 1585 TYR A OH 1 ATOM 12154 N N . LYS B 2 908 ? 18.628 -43.212 89.183 1.00 121.82 ? 1586 LYS A N 1 ATOM 12155 C CA . LYS B 2 908 ? 19.124 -42.063 88.437 1.00 127.55 ? 1586 LYS A CA 1 ATOM 12156 C C . LYS B 2 908 ? 17.942 -41.272 87.896 1.00 135.36 ? 1586 LYS A C 1 ATOM 12157 O O . LYS B 2 908 ? 16.906 -41.842 87.544 1.00 134.85 ? 1586 LYS A O 1 ATOM 12158 C CB . LYS B 2 908 ? 20.048 -42.491 87.291 1.00 121.55 ? 1586 LYS A CB 1 ATOM 12159 C CG . LYS B 2 908 ? 20.768 -41.338 86.606 1.00 119.88 ? 1586 LYS A CG 1 ATOM 12160 C CD . LYS B 2 908 ? 21.712 -41.838 85.525 1.00 115.77 ? 1586 LYS A CD 1 ATOM 12161 C CE . LYS B 2 908 ? 22.514 -40.695 84.924 1.00 115.83 ? 1586 LYS A CE 1 ATOM 12162 N NZ . LYS B 2 908 ? 23.486 -41.175 83.902 1.00 113.44 ? 1586 LYS A NZ 1 ATOM 12163 N N . THR B 2 909 ? 18.111 -39.950 87.839 1.00 146.23 ? 1587 THR A N 1 ATOM 12164 C CA . THR B 2 909 ? 17.083 -39.070 87.287 1.00 154.93 ? 1587 THR A CA 1 ATOM 12165 C C . THR B 2 909 ? 17.789 -37.837 86.731 1.00 163.63 ? 1587 THR A C 1 ATOM 12166 O O . THR B 2 909 ? 18.216 -36.961 87.489 1.00 170.63 ? 1587 THR A O 1 ATOM 12167 C CB . THR B 2 909 ? 16.044 -38.693 88.332 1.00 161.89 ? 1587 THR A CB 1 ATOM 12168 O OG1 . THR B 2 909 ? 15.335 -39.869 88.741 1.00 162.74 ? 1587 THR A OG1 1 ATOM 12169 C CG2 . THR B 2 909 ? 15.052 -37.690 87.754 1.00 161.66 ? 1587 THR A CG2 1 ATOM 12170 N N . GLY B 2 910 ? 17.912 -37.774 85.410 1.00 165.97 ? 1588 GLY A N 1 ATOM 12171 C CA . GLY B 2 910 ? 18.566 -36.634 84.799 1.00 173.99 ? 1588 GLY A CA 1 ATOM 12172 C C . GLY B 2 910 ? 17.585 -35.511 84.516 1.00 179.41 ? 1588 GLY A C 1 ATOM 12173 O O . GLY B 2 910 ? 17.865 -34.340 84.711 1.00 183.84 ? 1588 GLY A O 1 ATOM 12174 N N . GLU B 2 911 ? 16.402 -35.868 84.030 1.00 177.20 ? 1589 GLU A N 1 ATOM 12175 C CA . GLU B 2 911 ? 15.394 -34.927 83.551 1.00 179.42 ? 1589 GLU A CA 1 ATOM 12176 C C . GLU B 2 911 ? 14.239 -34.911 84.558 1.00 180.55 ? 1589 GLU A C 1 ATOM 12177 O O . GLU B 2 911 ? 14.539 -34.860 85.750 1.00 188.35 ? 1589 GLU A O 1 ATOM 12178 C CB . GLU B 2 911 ? 14.982 -35.286 82.134 1.00 174.24 ? 1589 GLU A CB 1 ATOM 12179 C CG . GLU B 2 911 ? 14.848 -34.068 81.088 1.00 176.18 ? 1589 GLU A CG 1 ATOM 12180 C CD . GLU B 2 911 ? 14.208 -32.837 81.717 1.00 181.89 ? 1589 GLU A CD 1 ATOM 12181 O OE1 . GLU B 2 911 ? 13.209 -32.996 82.457 1.00 184.09 ? 1589 GLU A OE1 1 ATOM 12182 O OE2 . GLU B 2 911 ? 14.767 -31.732 81.571 1.00 185.17 ? 1589 GLU A OE2 1 ATOM 12183 N N . ALA B 2 912 ? 12.961 -34.884 84.164 1.00 173.40 ? 1590 ALA A N 1 ATOM 12184 C CA . ALA B 2 912 ? 11.897 -34.891 85.200 1.00 164.96 ? 1590 ALA A CA 1 ATOM 12185 C C . ALA B 2 912 ? 11.952 -36.114 86.122 1.00 156.68 ? 1590 ALA A C 1 ATOM 12186 O O . ALA B 2 912 ? 12.410 -37.207 85.776 1.00 150.99 ? 1590 ALA A O 1 ATOM 12187 C CB . ALA B 2 912 ? 10.494 -34.825 84.597 1.00 160.05 ? 1590 ALA A CB 1 ATOM 12188 N N . VAL B 2 913 ? 11.325 -35.960 87.312 1.00 152.02 ? 1591 VAL A N 1 ATOM 12189 C CA . VAL B 2 913 ? 11.371 -37.038 88.305 1.00 154.33 ? 1591 VAL A CA 1 ATOM 12190 C C . VAL B 2 913 ? 10.029 -37.759 88.329 1.00 153.26 ? 1591 VAL A C 1 ATOM 12191 O O . VAL B 2 913 ? 8.998 -37.194 87.963 1.00 159.06 ? 1591 VAL A O 1 ATOM 12192 C CB . VAL B 2 913 ? 11.753 -36.484 89.693 1.00 157.90 ? 1591 VAL A CB 1 ATOM 12193 C CG1 . VAL B 2 913 ? 10.587 -35.699 90.267 1.00 163.18 ? 1591 VAL A CG1 1 ATOM 12194 C CG2 . VAL B 2 913 ? 12.240 -37.564 90.639 1.00 157.99 ? 1591 VAL A CG2 1 ATOM 12195 N N . ALA B 2 914 ? 10.044 -39.036 88.704 1.00 146.92 ? 1592 ALA A N 1 ATOM 12196 C CA . ALA B 2 914 ? 8.827 -39.795 88.943 1.00 138.57 ? 1592 ALA A CA 1 ATOM 12197 C C . ALA B 2 914 ? 8.866 -40.308 90.374 1.00 136.54 ? 1592 ALA A C 1 ATOM 12198 O O . ALA B 2 914 ? 9.942 -40.531 90.937 1.00 137.77 ? 1592 ALA A O 1 ATOM 12199 C CB . ALA B 2 914 ? 8.683 -40.944 87.945 1.00 129.52 ? 1592 ALA A CB 1 ATOM 12200 N N . GLU B 2 915 ? 7.688 -40.469 90.964 1.00 132.91 ? 1593 GLU A N 1 ATOM 12201 C CA . GLU B 2 915 ? 7.594 -40.821 92.369 1.00 138.39 ? 1593 GLU A CA 1 ATOM 12202 C C . GLU B 2 915 ? 7.826 -42.313 92.576 1.00 134.42 ? 1593 GLU A C 1 ATOM 12203 O O . GLU B 2 915 ? 7.545 -43.138 91.701 1.00 130.91 ? 1593 GLU A O 1 ATOM 12204 C CB . GLU B 2 915 ? 6.226 -40.426 92.925 1.00 145.89 ? 1593 GLU A CB 1 ATOM 12205 C CG . GLU B 2 915 ? 5.786 -39.023 92.543 1.00 151.04 ? 1593 GLU A CG 1 ATOM 12206 C CD . GLU B 2 915 ? 4.456 -38.638 93.161 1.00 159.44 ? 1593 GLU A CD 1 ATOM 12207 O OE1 . GLU B 2 915 ? 4.290 -38.831 94.385 1.00 165.87 ? 1593 GLU A OE1 1 ATOM 12208 O OE2 . GLU B 2 915 ? 3.576 -38.148 92.422 1.00 159.62 ? 1593 GLU A OE2 1 ATOM 12209 N N . LYS B 2 916 ? 8.347 -42.652 93.751 1.00 137.80 ? 1594 LYS A N 1 ATOM 12210 C CA . LYS B 2 916 ? 8.528 -44.051 94.112 1.00 134.63 ? 1594 LYS A CA 1 ATOM 12211 C C . LYS B 2 916 ? 7.177 -44.713 94.348 1.00 134.40 ? 1594 LYS A C 1 ATOM 12212 O O . LYS B 2 916 ? 6.262 -44.112 94.920 1.00 136.05 ? 1594 LYS A O 1 ATOM 12213 C CB . LYS B 2 916 ? 9.400 -44.178 95.361 1.00 137.12 ? 1594 LYS A CB 1 ATOM 12214 C CG . LYS B 2 916 ? 10.851 -43.782 95.148 1.00 133.85 ? 1594 LYS A CG 1 ATOM 12215 C CD . LYS B 2 916 ? 11.681 -44.022 96.398 1.00 136.74 ? 1594 LYS A CD 1 ATOM 12216 C CE . LYS B 2 916 ? 13.140 -43.662 96.170 1.00 135.62 ? 1594 LYS A CE 1 ATOM 12217 N NZ . LYS B 2 916 ? 13.955 -43.868 97.399 1.00 140.96 ? 1594 LYS A NZ 1 ATOM 12218 N N . ASP B 2 917 ? 7.059 -45.961 93.893 1.00 131.01 ? 1595 ASP A N 1 ATOM 12219 C CA . ASP B 2 917 ? 5.830 -46.749 93.972 1.00 129.36 ? 1595 ASP A CA 1 ATOM 12220 C C . ASP B 2 917 ? 4.678 -46.107 93.209 1.00 128.07 ? 1595 ASP A C 1 ATOM 12221 O O . ASP B 2 917 ? 3.508 -46.385 93.493 1.00 128.93 ? 1595 ASP A O 1 ATOM 12222 C CB . ASP B 2 917 ? 5.439 -47.019 95.428 1.00 132.41 ? 1595 ASP A CB 1 ATOM 12223 C CG . ASP B 2 917 ? 6.491 -47.819 96.161 1.00 132.26 ? 1595 ASP A CG 1 ATOM 12224 O OD1 . ASP B 2 917 ? 7.447 -47.208 96.682 1.00 133.91 ? 1595 ASP A OD1 1 ATOM 12225 O OD2 . ASP B 2 917 ? 6.372 -49.062 96.200 1.00 130.53 ? 1595 ASP A OD2 1 ATOM 12226 N N . SER B 2 918 ? 4.994 -45.253 92.241 1.00 127.04 ? 1596 SER A N 1 ATOM 12227 C CA . SER B 2 918 ? 4.013 -44.734 91.304 1.00 127.33 ? 1596 SER A CA 1 ATOM 12228 C C . SER B 2 918 ? 3.985 -45.606 90.055 1.00 124.23 ? 1596 SER A C 1 ATOM 12229 O O . SER B 2 918 ? 4.913 -46.372 89.782 1.00 121.78 ? 1596 SER A O 1 ATOM 12230 C CB . SER B 2 918 ? 4.332 -43.286 90.930 1.00 126.10 ? 1596 SER A CB 1 ATOM 12231 O OG . SER B 2 918 ? 5.591 -43.196 90.286 1.00 122.66 ? 1596 SER A OG 1 ATOM 12232 N N . GLU B 2 919 ? 2.902 -45.482 89.291 1.00 125.73 ? 1597 GLU A N 1 ATOM 12233 C CA . GLU B 2 919 ? 2.736 -46.291 88.092 1.00 121.56 ? 1597 GLU A CA 1 ATOM 12234 C C . GLU B 2 919 ? 3.520 -45.683 86.936 1.00 116.77 ? 1597 GLU A C 1 ATOM 12235 O O . GLU B 2 919 ? 3.386 -44.493 86.635 1.00 122.01 ? 1597 GLU A O 1 ATOM 12236 C CB . GLU B 2 919 ? 1.258 -46.424 87.729 1.00 124.17 ? 1597 GLU A CB 1 ATOM 12237 C CG . GLU B 2 919 ? 0.993 -47.380 86.575 1.00 123.56 ? 1597 GLU A CG 1 ATOM 12238 C CD . GLU B 2 919 ? -0.465 -47.784 86.473 1.00 128.60 ? 1597 GLU A CD 1 ATOM 12239 O OE1 . GLU B 2 919 ? -1.201 -47.608 87.466 1.00 136.19 ? 1597 GLU A OE1 1 ATOM 12240 O OE2 . GLU B 2 919 ? -0.873 -48.277 85.401 1.00 125.57 ? 1597 GLU A OE2 1 ATOM 12241 N N . ILE B 2 920 ? 4.344 -46.507 86.297 1.00 109.20 ? 1598 ILE A N 1 ATOM 12242 C CA . ILE B 2 920 ? 5.198 -46.096 85.192 1.00 100.86 ? 1598 ILE A CA 1 ATOM 12243 C C . ILE B 2 920 ? 4.876 -46.979 83.996 1.00 92.48 ? 1598 ILE A C 1 ATOM 12244 O O . ILE B 2 920 ? 4.688 -48.191 84.143 1.00 91.32 ? 1598 ILE A O 1 ATOM 12245 C CB . ILE B 2 920 ? 6.691 -46.187 85.581 1.00 101.08 ? 1598 ILE A CB 1 ATOM 12246 C CG1 . ILE B 2 920 ? 7.083 -45.002 86.464 1.00 104.21 ? 1598 ILE A CG1 1 ATOM 12247 C CG2 . ILE B 2 920 ? 7.581 -46.242 84.359 1.00 90.46 ? 1598 ILE A CG2 1 ATOM 12248 C CD1 . ILE B 2 920 ? 6.866 -43.656 85.806 1.00 100.96 ? 1598 ILE A CD1 1 ATOM 12249 N N . THR B 2 921 ? 4.788 -46.370 82.817 1.00 89.64 ? 1599 THR A N 1 ATOM 12250 C CA . THR B 2 921 ? 4.451 -47.076 81.590 1.00 86.08 ? 1599 THR A CA 1 ATOM 12251 C C . THR B 2 921 ? 5.692 -47.247 80.722 1.00 84.54 ? 1599 THR A C 1 ATOM 12252 O O . THR B 2 921 ? 6.504 -46.325 80.593 1.00 85.10 ? 1599 THR A O 1 ATOM 12253 C CB . THR B 2 921 ? 3.373 -46.324 80.804 1.00 85.76 ? 1599 THR A CB 1 ATOM 12254 O OG1 . THR B 2 921 ? 2.282 -45.994 81.674 1.00 90.08 ? 1599 THR A OG1 1 ATOM 12255 C CG2 . THR B 2 921 ? 2.857 -47.179 79.654 1.00 82.52 ? 1599 THR A CG2 1 ATOM 12256 N N . PHE B 2 922 ? 5.837 -48.433 80.135 1.00 84.43 ? 1600 PHE A N 1 ATOM 12257 C CA . PHE B 2 922 ? 6.866 -48.706 79.144 1.00 83.31 ? 1600 PHE A CA 1 ATOM 12258 C C . PHE B 2 922 ? 6.210 -49.043 77.811 1.00 80.19 ? 1600 PHE A C 1 ATOM 12259 O O . PHE B 2 922 ? 5.081 -49.533 77.767 1.00 81.61 ? 1600 PHE A O 1 ATOM 12260 C CB . PHE B 2 922 ? 7.781 -49.853 79.588 1.00 76.56 ? 1600 PHE A CB 1 ATOM 12261 C CG . PHE B 2 922 ? 8.650 -49.508 80.761 1.00 78.72 ? 1600 PHE A CG 1 ATOM 12262 C CD1 . PHE B 2 922 ? 9.880 -48.900 80.572 1.00 78.09 ? 1600 PHE A CD1 1 ATOM 12263 C CD2 . PHE B 2 922 ? 8.236 -49.783 82.053 1.00 82.76 ? 1600 PHE A CD2 1 ATOM 12264 C CE1 . PHE B 2 922 ? 10.684 -48.577 81.648 1.00 80.49 ? 1600 PHE A CE1 1 ATOM 12265 C CE2 . PHE B 2 922 ? 9.036 -49.463 83.136 1.00 84.17 ? 1600 PHE A CE2 1 ATOM 12266 C CZ . PHE B 2 922 ? 10.261 -48.858 82.933 1.00 83.52 ? 1600 PHE A CZ 1 ATOM 12267 N N . ILE B 2 923 ? 6.915 -48.760 76.719 1.00 76.68 ? 1601 ILE A N 1 ATOM 12268 C CA . ILE B 2 923 ? 6.389 -48.990 75.376 1.00 73.84 ? 1601 ILE A CA 1 ATOM 12269 C C . ILE B 2 923 ? 7.492 -49.575 74.511 1.00 69.80 ? 1601 ILE A C 1 ATOM 12270 O O . ILE B 2 923 ? 8.611 -49.051 74.484 1.00 67.39 ? 1601 ILE A O 1 ATOM 12271 C CB . ILE B 2 923 ? 5.835 -47.703 74.732 1.00 74.08 ? 1601 ILE A CB 1 ATOM 12272 C CG1 . ILE B 2 923 ? 4.333 -47.596 74.969 1.00 80.22 ? 1601 ILE A CG1 1 ATOM 12273 C CG2 . ILE B 2 923 ? 6.085 -47.696 73.242 1.00 76.90 ? 1601 ILE A CG2 1 ATOM 12274 C CD1 . ILE B 2 923 ? 3.624 -46.686 73.986 1.00 81.41 ? 1601 ILE A CD1 1 ATOM 12275 N N . LYS B 2 924 ? 7.184 -50.656 73.804 1.00 71.61 ? 1602 LYS A N 1 ATOM 12276 C CA . LYS B 2 924 ? 8.087 -51.157 72.782 1.00 75.19 ? 1602 LYS A CA 1 ATOM 12277 C C . LYS B 2 924 ? 7.301 -51.413 71.506 1.00 76.05 ? 1602 LYS A C 1 ATOM 12278 O O . LYS B 2 924 ? 6.118 -51.761 71.548 1.00 65.17 ? 1602 LYS A O 1 ATOM 12279 C CB . LYS B 2 924 ? 8.835 -52.434 73.230 1.00 71.37 ? 1602 LYS A CB 1 ATOM 12280 C CG . LYS B 2 924 ? 8.020 -53.719 73.293 1.00 66.73 ? 1602 LYS A CG 1 ATOM 12281 C CD . LYS B 2 924 ? 8.951 -54.921 73.136 1.00 66.88 ? 1602 LYS A CD 1 ATOM 12282 C CE . LYS B 2 924 ? 8.366 -56.196 73.719 1.00 70.75 ? 1602 LYS A CE 1 ATOM 12283 N NZ . LYS B 2 924 ? 7.053 -56.548 73.122 1.00 71.77 ? 1602 LYS A NZ 1 ATOM 12284 N N . LYS B 2 925 ? 7.958 -51.178 70.372 1.00 73.52 ? 1603 LYS A N 1 ATOM 12285 C CA . LYS B 2 925 ? 7.410 -51.587 69.090 1.00 77.75 ? 1603 LYS A CA 1 ATOM 12286 C C . LYS B 2 925 ? 6.991 -53.045 69.168 1.00 82.95 ? 1603 LYS A C 1 ATOM 12287 O O . LYS B 2 925 ? 7.731 -53.886 69.690 1.00 82.56 ? 1603 LYS A O 1 ATOM 12288 C CB . LYS B 2 925 ? 8.456 -51.393 67.988 1.00 78.33 ? 1603 LYS A CB 1 ATOM 12289 C CG . LYS B 2 925 ? 8.133 -50.326 66.951 1.00 76.39 ? 1603 LYS A CG 1 ATOM 12290 C CD . LYS B 2 925 ? 7.164 -50.844 65.903 1.00 77.35 ? 1603 LYS A CD 1 ATOM 12291 C CE . LYS B 2 925 ? 7.119 -49.920 64.695 1.00 77.96 ? 1603 LYS A CE 1 ATOM 12292 N NZ . LYS B 2 925 ? 8.462 -49.730 64.072 1.00 76.17 ? 1603 LYS A NZ 1 ATOM 12293 N N . VAL B 2 926 ? 5.784 -53.343 68.678 1.00 88.88 ? 1604 VAL A N 1 ATOM 12294 C CA . VAL B 2 926 ? 5.313 -54.721 68.719 1.00 88.77 ? 1604 VAL A CA 1 ATOM 12295 C C . VAL B 2 926 ? 6.272 -55.626 67.954 1.00 91.35 ? 1604 VAL A C 1 ATOM 12296 O O . VAL B 2 926 ? 6.541 -56.751 68.377 1.00 89.50 ? 1604 VAL A O 1 ATOM 12297 C CB . VAL B 2 926 ? 3.863 -54.823 68.192 1.00 86.27 ? 1604 VAL A CB 1 ATOM 12298 C CG1 . VAL B 2 926 ? 3.807 -54.805 66.664 1.00 85.53 ? 1604 VAL A CG1 1 ATOM 12299 C CG2 . VAL B 2 926 ? 3.181 -56.054 68.743 1.00 68.17 ? 1604 VAL A CG2 1 ATOM 12300 N N . THR B 2 927 ? 6.867 -55.118 66.867 1.00 96.02 ? 1605 THR A N 1 ATOM 12301 C CA . THR B 2 927 ? 7.796 -55.887 66.044 1.00 93.96 ? 1605 THR A CA 1 ATOM 12302 C C . THR B 2 927 ? 9.173 -56.004 66.688 1.00 95.75 ? 1605 THR A C 1 ATOM 12303 O O . THR B 2 927 ? 10.191 -55.755 66.033 1.00 102.04 ? 1605 THR A O 1 ATOM 12304 C CB . THR B 2 927 ? 7.938 -55.269 64.646 1.00 88.43 ? 1605 THR A CB 1 ATOM 12305 O OG1 . THR B 2 927 ? 8.283 -53.881 64.756 1.00 89.70 ? 1605 THR A OG1 1 ATOM 12306 C CG2 . THR B 2 927 ? 6.641 -55.405 63.869 1.00 88.73 ? 1605 THR A CG2 1 ATOM 12307 N N . CYS B 2 928 ? 9.216 -56.381 67.965 1.00 87.13 ? 1606 CYS A N 1 ATOM 12308 C CA . CYS B 2 928 ? 10.474 -56.614 68.669 1.00 82.22 ? 1606 CYS A CA 1 ATOM 12309 C C . CYS B 2 928 ? 10.264 -57.775 69.624 1.00 77.50 ? 1606 CYS A C 1 ATOM 12310 O O . CYS B 2 928 ? 9.426 -57.693 70.526 1.00 79.32 ? 1606 CYS A O 1 ATOM 12311 C CB . CYS B 2 928 ? 10.939 -55.364 69.420 1.00 82.52 ? 1606 CYS A CB 1 ATOM 12312 S SG . CYS B 2 928 ? 11.414 -54.028 68.307 1.00 83.01 ? 1606 CYS A SG 1 ATOM 12313 N N . THR B 2 929 ? 11.024 -58.847 69.428 1.00 74.57 ? 1607 THR A N 1 ATOM 12314 C CA . THR B 2 929 ? 10.789 -60.091 70.145 1.00 77.53 ? 1607 THR A CA 1 ATOM 12315 C C . THR B 2 929 ? 11.728 -60.297 71.324 1.00 79.01 ? 1607 THR A C 1 ATOM 12316 O O . THR B 2 929 ? 11.289 -60.769 72.376 1.00 85.83 ? 1607 THR A O 1 ATOM 12317 C CB . THR B 2 929 ? 10.917 -61.274 69.184 1.00 80.23 ? 1607 THR A CB 1 ATOM 12318 O OG1 . THR B 2 929 ? 12.298 -61.483 68.866 1.00 84.54 ? 1607 THR A OG1 1 ATOM 12319 C CG2 . THR B 2 929 ? 10.153 -60.987 67.903 1.00 75.65 ? 1607 THR A CG2 1 ATOM 12320 N N . ASN B 2 930 ? 13.007 -59.943 71.185 1.00 76.90 ? 1608 ASN A N 1 ATOM 12321 C CA . ASN B 2 930 ? 13.991 -60.251 72.216 1.00 83.02 ? 1608 ASN A CA 1 ATOM 12322 C C . ASN B 2 930 ? 13.861 -59.373 73.455 1.00 82.73 ? 1608 ASN A C 1 ATOM 12323 O O . ASN B 2 930 ? 14.686 -59.494 74.366 1.00 87.49 ? 1608 ASN A O 1 ATOM 12324 C CB . ASN B 2 930 ? 15.404 -60.137 71.642 1.00 93.44 ? 1608 ASN A CB 1 ATOM 12325 C CG . ASN B 2 930 ? 16.412 -60.983 72.401 1.00 105.67 ? 1608 ASN A CG 1 ATOM 12326 O OD1 . ASN B 2 930 ? 17.099 -60.498 73.301 1.00 108.23 ? 1608 ASN A OD1 1 ATOM 12327 N ND2 . ASN B 2 930 ? 16.503 -62.260 72.041 1.00 111.41 ? 1608 ASN A ND2 1 ATOM 12328 N N . ALA B 2 931 ? 12.862 -58.503 73.524 1.00 82.29 ? 1609 ALA A N 1 ATOM 12329 C CA . ALA B 2 931 ? 12.588 -57.710 74.716 1.00 85.93 ? 1609 ALA A CA 1 ATOM 12330 C C . ALA B 2 931 ? 11.295 -58.163 75.385 1.00 90.80 ? 1609 ALA A C 1 ATOM 12331 O O . ALA B 2 931 ? 10.534 -57.354 75.917 1.00 87.49 ? 1609 ALA A O 1 ATOM 12332 C CB . ALA B 2 931 ? 12.526 -56.224 74.378 1.00 84.72 ? 1609 ALA A CB 1 ATOM 12333 N N . GLU B 2 932 ? 11.038 -59.468 75.366 1.00 98.08 ? 1610 GLU A N 1 ATOM 12334 C CA . GLU B 2 932 ? 9.785 -60.001 75.887 1.00 104.03 ? 1610 GLU A CA 1 ATOM 12335 C C . GLU B 2 932 ? 9.774 -59.918 77.408 1.00 104.25 ? 1610 GLU A C 1 ATOM 12336 O O . GLU B 2 932 ? 10.635 -60.498 78.078 1.00 107.12 ? 1610 GLU A O 1 ATOM 12337 C CB . GLU B 2 932 ? 9.595 -61.442 75.422 1.00 110.04 ? 1610 GLU A CB 1 ATOM 12338 C CG . GLU B 2 932 ? 8.183 -61.965 75.602 1.00 120.16 ? 1610 GLU A CG 1 ATOM 12339 C CD . GLU B 2 932 ? 7.181 -61.254 74.713 1.00 124.85 ? 1610 GLU A CD 1 ATOM 12340 O OE1 . GLU B 2 932 ? 7.596 -60.666 73.690 1.00 126.63 ? 1610 GLU A OE1 1 ATOM 12341 O OE2 . GLU B 2 932 ? 5.975 -61.285 75.037 1.00 127.82 ? 1610 GLU A OE2 1 ATOM 12342 N N . LEU B 2 933 ? 8.802 -59.196 77.953 1.00 98.17 ? 1611 LEU A N 1 ATOM 12343 C CA . LEU B 2 933 ? 8.686 -58.981 79.386 1.00 94.43 ? 1611 LEU A CA 1 ATOM 12344 C C . LEU B 2 933 ? 7.508 -59.771 79.938 1.00 97.71 ? 1611 LEU A C 1 ATOM 12345 O O . LEU B 2 933 ? 6.437 -59.821 79.323 1.00 99.65 ? 1611 LEU A O 1 ATOM 12346 C CB . LEU B 2 933 ? 8.509 -57.495 79.702 1.00 87.84 ? 1611 LEU A CB 1 ATOM 12347 C CG . LEU B 2 933 ? 9.691 -56.594 79.354 1.00 81.43 ? 1611 LEU A CG 1 ATOM 12348 C CD1 . LEU B 2 933 ? 9.393 -55.141 79.697 1.00 78.82 ? 1611 LEU A CD1 1 ATOM 12349 C CD2 . LEU B 2 933 ? 10.931 -57.080 80.075 1.00 80.11 ? 1611 LEU A CD2 1 ATOM 12350 N N . VAL B 2 934 ? 7.709 -60.377 81.104 1.00 97.84 ? 1612 VAL A N 1 ATOM 12351 C CA . VAL B 2 934 ? 6.709 -61.227 81.737 1.00 97.89 ? 1612 VAL A CA 1 ATOM 12352 C C . VAL B 2 934 ? 6.031 -60.443 82.851 1.00 94.35 ? 1612 VAL A C 1 ATOM 12353 O O . VAL B 2 934 ? 6.703 -59.805 83.673 1.00 92.17 ? 1612 VAL A O 1 ATOM 12354 C CB . VAL B 2 934 ? 7.342 -62.520 82.275 1.00 100.57 ? 1612 VAL A CB 1 ATOM 12355 C CG1 . VAL B 2 934 ? 6.298 -63.376 82.976 1.00 105.66 ? 1612 VAL A CG1 1 ATOM 12356 C CG2 . VAL B 2 934 ? 8.004 -63.291 81.142 1.00 96.95 ? 1612 VAL A CG2 1 ATOM 12357 N N . LYS B 2 935 ? 4.701 -60.486 82.874 1.00 93.75 ? 1613 LYS A N 1 ATOM 12358 C CA . LYS B 2 935 ? 3.936 -59.781 83.894 1.00 97.46 ? 1613 LYS A CA 1 ATOM 12359 C C . LYS B 2 935 ? 4.247 -60.340 85.277 1.00 102.99 ? 1613 LYS A C 1 ATOM 12360 O O . LYS B 2 935 ? 4.300 -61.558 85.472 1.00 105.67 ? 1613 LYS A O 1 ATOM 12361 C CB . LYS B 2 935 ? 2.441 -59.896 83.592 1.00 95.52 ? 1613 LYS A CB 1 ATOM 12362 C CG . LYS B 2 935 ? 1.526 -59.440 84.715 1.00 97.93 ? 1613 LYS A CG 1 ATOM 12363 C CD . LYS B 2 935 ? 0.068 -59.689 84.360 1.00 101.37 ? 1613 LYS A CD 1 ATOM 12364 C CE . LYS B 2 935 ? -0.838 -59.494 85.566 1.00 104.61 ? 1613 LYS A CE 1 ATOM 12365 N NZ . LYS B 2 935 ? -2.268 -59.750 85.241 1.00 107.07 ? 1613 LYS A NZ 1 ATOM 12366 N N . GLY B 2 936 ? 4.465 -59.443 86.237 1.00 103.95 ? 1614 GLY A N 1 ATOM 12367 C CA . GLY B 2 936 ? 4.738 -59.821 87.606 1.00 106.44 ? 1614 GLY A CA 1 ATOM 12368 C C . GLY B 2 936 ? 6.204 -59.905 87.971 1.00 105.75 ? 1614 GLY A C 1 ATOM 12369 O O . GLY B 2 936 ? 6.527 -59.942 89.164 1.00 107.72 ? 1614 GLY A O 1 ATOM 12370 N N . ARG B 2 937 ? 7.098 -59.935 86.987 1.00 103.01 ? 1615 ARG A N 1 ATOM 12371 C CA . ARG B 2 937 ? 8.524 -60.034 87.254 1.00 100.84 ? 1615 ARG A CA 1 ATOM 12372 C C . ARG B 2 937 ? 9.145 -58.650 87.395 1.00 98.97 ? 1615 ARG A C 1 ATOM 12373 O O . ARG B 2 937 ? 8.650 -57.665 86.841 1.00 99.79 ? 1615 ARG A O 1 ATOM 12374 C CB . ARG B 2 937 ? 9.225 -60.809 86.138 1.00 99.01 ? 1615 ARG A CB 1 ATOM 12375 C CG . ARG B 2 937 ? 8.827 -62.272 86.054 1.00 104.70 ? 1615 ARG A CG 1 ATOM 12376 C CD . ARG B 2 937 ? 9.636 -62.992 84.990 1.00 109.01 ? 1615 ARG A CD 1 ATOM 12377 N NE . ARG B 2 937 ? 9.906 -64.383 85.348 1.00 116.28 ? 1615 ARG A NE 1 ATOM 12378 C CZ . ARG B 2 937 ? 10.727 -65.183 84.675 1.00 115.28 ? 1615 ARG A CZ 1 ATOM 12379 N NH1 . ARG B 2 937 ? 11.365 -64.734 83.603 1.00 111.18 ? 1615 ARG A NH1 1 ATOM 12380 N NH2 . ARG B 2 937 ? 10.913 -66.433 85.075 1.00 118.86 ? 1615 ARG A NH2 1 ATOM 12381 N N . GLN B 2 938 ? 10.235 -58.585 88.153 1.00 97.19 ? 1616 GLN A N 1 ATOM 12382 C CA . GLN B 2 938 ? 10.985 -57.351 88.329 1.00 96.86 ? 1616 GLN A CA 1 ATOM 12383 C C . GLN B 2 938 ? 12.093 -57.250 87.289 1.00 93.73 ? 1616 GLN A C 1 ATOM 12384 O O . GLN B 2 938 ? 12.605 -58.261 86.798 1.00 92.85 ? 1616 GLN A O 1 ATOM 12385 C CB . GLN B 2 938 ? 11.595 -57.273 89.728 1.00 102.67 ? 1616 GLN A CB 1 ATOM 12386 C CG . GLN B 2 938 ? 10.594 -57.138 90.851 1.00 106.55 ? 1616 GLN A CG 1 ATOM 12387 C CD . GLN B 2 938 ? 11.271 -56.984 92.197 1.00 112.96 ? 1616 GLN A CD 1 ATOM 12388 O OE1 . GLN B 2 938 ? 10.655 -56.546 93.167 1.00 120.56 ? 1616 GLN A OE1 1 ATOM 12389 N NE2 . GLN B 2 938 ? 12.548 -57.344 92.262 1.00 110.19 ? 1616 GLN A NE2 1 ATOM 12390 N N . TYR B 2 939 ? 12.464 -56.013 86.961 1.00 92.44 ? 1617 TYR A N 1 ATOM 12391 C CA . TYR B 2 939 ? 13.487 -55.755 85.958 1.00 90.75 ? 1617 TYR A CA 1 ATOM 12392 C C . TYR B 2 939 ? 14.236 -54.480 86.319 1.00 90.71 ? 1617 TYR A C 1 ATOM 12393 O O . TYR B 2 939 ? 13.655 -53.532 86.853 1.00 92.04 ? 1617 TYR A O 1 ATOM 12394 C CB . TYR B 2 939 ? 12.886 -55.620 84.545 1.00 86.26 ? 1617 TYR A CB 1 ATOM 12395 C CG . TYR B 2 939 ? 12.257 -56.886 83.996 1.00 85.42 ? 1617 TYR A CG 1 ATOM 12396 C CD1 . TYR B 2 939 ? 10.911 -57.165 84.204 1.00 86.20 ? 1617 TYR A CD1 1 ATOM 12397 C CD2 . TYR B 2 939 ? 13.006 -57.796 83.262 1.00 84.31 ? 1617 TYR A CD2 1 ATOM 12398 C CE1 . TYR B 2 939 ? 10.332 -58.321 83.706 1.00 85.89 ? 1617 TYR A CE1 1 ATOM 12399 C CE2 . TYR B 2 939 ? 12.435 -58.956 82.759 1.00 84.01 ? 1617 TYR A CE2 1 ATOM 12400 C CZ . TYR B 2 939 ? 11.098 -59.212 82.983 1.00 85.63 ? 1617 TYR A CZ 1 ATOM 12401 O OH . TYR B 2 939 ? 10.523 -60.360 82.487 1.00 84.92 ? 1617 TYR A OH 1 ATOM 12402 N N . LEU B 2 940 ? 15.534 -54.466 86.024 1.00 90.39 ? 1618 LEU A N 1 ATOM 12403 C CA . LEU B 2 940 ? 16.324 -53.241 86.053 1.00 95.16 ? 1618 LEU A CA 1 ATOM 12404 C C . LEU B 2 940 ? 16.321 -52.631 84.654 1.00 92.59 ? 1618 LEU A C 1 ATOM 12405 O O . LEU B 2 940 ? 16.754 -53.277 83.693 1.00 85.46 ? 1618 LEU A O 1 ATOM 12406 C CB . LEU B 2 940 ? 17.751 -53.521 86.519 1.00 93.05 ? 1618 LEU A CB 1 ATOM 12407 C CG . LEU B 2 940 ? 18.707 -52.325 86.477 1.00 93.98 ? 1618 LEU A CG 1 ATOM 12408 C CD1 . LEU B 2 940 ? 18.110 -51.125 87.192 1.00 95.80 ? 1618 LEU A CD1 1 ATOM 12409 C CD2 . LEU B 2 940 ? 20.040 -52.697 87.093 1.00 97.74 ? 1618 LEU A CD2 1 ATOM 12410 N N . ILE B 2 941 ? 15.830 -51.395 84.539 1.00 87.20 ? 1619 ILE A N 1 ATOM 12411 C CA . ILE B 2 941 ? 15.665 -50.732 83.249 1.00 92.37 ? 1619 ILE A CA 1 ATOM 12412 C C . ILE B 2 941 ? 16.367 -49.381 83.291 1.00 94.45 ? 1619 ILE A C 1 ATOM 12413 O O . ILE B 2 941 ? 16.163 -48.594 84.222 1.00 98.97 ? 1619 ILE A O 1 ATOM 12414 C CB . ILE B 2 941 ? 14.179 -50.562 82.873 1.00 89.20 ? 1619 ILE A CB 1 ATOM 12415 C CG1 . ILE B 2 941 ? 13.481 -51.924 82.827 1.00 82.13 ? 1619 ILE A CG1 1 ATOM 12416 C CG2 . ILE B 2 941 ? 14.041 -49.854 81.528 1.00 85.08 ? 1619 ILE A CG2 1 ATOM 12417 C CD1 . ILE B 2 941 ? 12.030 -51.864 82.403 1.00 81.02 ? 1619 ILE A CD1 1 ATOM 12418 N N . MET B 2 942 ? 17.197 -49.121 82.282 1.00 94.00 ? 1620 MET A N 1 ATOM 12419 C CA . MET B 2 942 ? 17.948 -47.879 82.157 1.00 101.04 ? 1620 MET A CA 1 ATOM 12420 C C . MET B 2 942 ? 17.854 -47.421 80.710 1.00 105.22 ? 1620 MET A C 1 ATOM 12421 O O . MET B 2 942 ? 18.024 -48.234 79.797 1.00 107.54 ? 1620 MET A O 1 ATOM 12422 C CB . MET B 2 942 ? 19.418 -48.074 82.564 1.00 104.74 ? 1620 MET A CB 1 ATOM 12423 C CG . MET B 2 942 ? 19.629 -48.992 83.769 1.00 108.05 ? 1620 MET A CG 1 ATOM 12424 S SD . MET B 2 942 ? 21.326 -49.031 84.384 1.00 112.68 ? 1620 MET A SD 1 ATOM 12425 C CE . MET B 2 942 ? 22.204 -49.600 82.933 1.00 112.10 ? 1620 MET A CE 1 ATOM 12426 N N . GLY B 2 943 ? 17.581 -46.139 80.493 1.00 108.91 ? 1621 GLY A N 1 ATOM 12427 C CA . GLY B 2 943 ? 17.425 -45.677 79.129 1.00 111.61 ? 1621 GLY A CA 1 ATOM 12428 C C . GLY B 2 943 ? 17.422 -44.168 79.017 1.00 117.10 ? 1621 GLY A C 1 ATOM 12429 O O . GLY B 2 943 ? 17.685 -43.447 79.984 1.00 120.16 ? 1621 GLY A O 1 ATOM 12430 N N . LYS B 2 944 ? 17.114 -43.705 77.806 1.00 120.10 ? 1622 LYS A N 1 ATOM 12431 C CA . LYS B 2 944 ? 17.097 -42.289 77.465 1.00 127.94 ? 1622 LYS A CA 1 ATOM 12432 C C . LYS B 2 944 ? 15.668 -41.776 77.364 1.00 133.65 ? 1622 LYS A C 1 ATOM 12433 O O . LYS B 2 944 ? 14.779 -42.474 76.869 1.00 130.36 ? 1622 LYS A O 1 ATOM 12434 C CB . LYS B 2 944 ? 17.796 -42.027 76.129 1.00 128.03 ? 1622 LYS A CB 1 ATOM 12435 C CG . LYS B 2 944 ? 19.272 -42.349 76.070 1.00 132.28 ? 1622 LYS A CG 1 ATOM 12436 C CD . LYS B 2 944 ? 19.823 -41.953 74.706 1.00 133.42 ? 1622 LYS A CD 1 ATOM 12437 C CE . LYS B 2 944 ? 21.299 -42.272 74.573 1.00 135.81 ? 1622 LYS A CE 1 ATOM 12438 N NZ . LYS B 2 944 ? 21.850 -41.813 73.266 1.00 134.84 ? 1622 LYS A NZ 1 ATOM 12439 N N . GLU B 2 945 ? 15.465 -40.543 77.828 1.00 143.28 ? 1623 GLU A N 1 ATOM 12440 C CA . GLU B 2 945 ? 14.260 -39.771 77.543 1.00 145.23 ? 1623 GLU A CA 1 ATOM 12441 C C . GLU B 2 945 ? 12.988 -40.406 78.093 1.00 136.46 ? 1623 GLU A C 1 ATOM 12442 O O . GLU B 2 945 ? 13.010 -41.505 78.656 1.00 136.36 ? 1623 GLU A O 1 ATOM 12443 C CB . GLU B 2 945 ? 14.118 -39.556 76.031 1.00 148.87 ? 1623 GLU A CB 1 ATOM 12444 C CG . GLU B 2 945 ? 15.337 -38.921 75.369 1.00 154.46 ? 1623 GLU A CG 1 ATOM 12445 C CD . GLU B 2 945 ? 15.559 -37.479 75.794 1.00 160.29 ? 1623 GLU A CD 1 ATOM 12446 O OE1 . GLU B 2 945 ? 14.613 -36.671 75.686 1.00 161.11 ? 1623 GLU A OE1 1 ATOM 12447 O OE2 . GLU B 2 945 ? 16.681 -37.156 76.240 1.00 164.06 ? 1623 GLU A OE2 1 ATOM 12448 N N . ALA B 2 946 ? 11.876 -39.703 77.929 1.00 124.75 ? 1624 ALA A N 1 ATOM 12449 C CA . ALA B 2 946 ? 10.559 -40.143 78.373 1.00 115.62 ? 1624 ALA A CA 1 ATOM 12450 C C . ALA B 2 946 ? 9.546 -39.169 77.789 1.00 109.32 ? 1624 ALA A C 1 ATOM 12451 O O . ALA B 2 946 ? 9.908 -38.172 77.156 1.00 111.52 ? 1624 ALA A O 1 ATOM 12452 C CB . ALA B 2 946 ? 10.460 -40.201 79.898 1.00 117.52 ? 1624 ALA A CB 1 ATOM 12453 N N . LEU B 2 947 ? 8.271 -39.463 78.007 1.00 101.96 ? 1625 LEU A N 1 ATOM 12454 C CA . LEU B 2 947 ? 7.187 -38.578 77.609 1.00 98.49 ? 1625 LEU A CA 1 ATOM 12455 C C . LEU B 2 947 ? 6.359 -38.239 78.839 1.00 102.53 ? 1625 LEU A C 1 ATOM 12456 O O . LEU B 2 947 ? 5.954 -39.137 79.590 1.00 99.64 ? 1625 LEU A O 1 ATOM 12457 C CB . LEU B 2 947 ? 6.314 -39.212 76.522 1.00 93.31 ? 1625 LEU A CB 1 ATOM 12458 C CG . LEU B 2 947 ? 6.982 -39.450 75.167 1.00 87.67 ? 1625 LEU A CG 1 ATOM 12459 C CD1 . LEU B 2 947 ? 6.029 -40.144 74.206 1.00 86.34 ? 1625 LEU A CD1 1 ATOM 12460 C CD2 . LEU B 2 947 ? 7.477 -38.138 74.579 1.00 88.60 ? 1625 LEU A CD2 1 ATOM 12461 N N . GLN B 2 948 ? 6.130 -36.944 79.044 1.00 109.23 ? 1626 GLN A N 1 ATOM 12462 C CA . GLN B 2 948 ? 5.365 -36.438 80.176 1.00 94.99 ? 1626 GLN A CA 1 ATOM 12463 C C . GLN B 2 948 ? 3.988 -36.024 79.671 1.00 105.47 ? 1626 GLN A C 1 ATOM 12464 O O . GLN B 2 948 ? 3.859 -35.033 78.947 1.00 96.12 ? 1626 GLN A O 1 ATOM 12465 C CB . GLN B 2 948 ? 6.094 -35.267 80.833 1.00 105.49 ? 1626 GLN A CB 1 ATOM 12466 C CG . GLN B 2 948 ? 5.377 -34.679 82.037 1.00 112.34 ? 1626 GLN A CG 1 ATOM 12467 C CD . GLN B 2 948 ? 6.074 -33.450 82.592 1.00 118.38 ? 1626 GLN A CD 1 ATOM 12468 O OE1 . GLN B 2 948 ? 6.748 -33.517 83.621 1.00 122.53 ? 1626 GLN A OE1 1 ATOM 12469 N NE2 . GLN B 2 948 ? 5.909 -32.319 81.915 1.00 118.09 ? 1626 GLN A NE2 1 ATOM 12470 N N . ILE B 2 949 ? 2.965 -36.785 80.050 1.00 105.71 ? 1627 ILE A N 1 ATOM 12471 C CA . ILE B 2 949 ? 1.591 -36.541 79.631 1.00 110.60 ? 1627 ILE A CA 1 ATOM 12472 C C . ILE B 2 949 ? 0.779 -36.075 80.832 1.00 116.16 ? 1627 ILE A C 1 ATOM 12473 O O . ILE B 2 949 ? 1.074 -36.422 81.980 1.00 121.63 ? 1627 ILE A O 1 ATOM 12474 C CB . ILE B 2 949 ? 0.965 -37.806 79.006 1.00 111.94 ? 1627 ILE A CB 1 ATOM 12475 C CG1 . ILE B 2 949 ? 1.965 -38.485 78.073 1.00 111.44 ? 1627 ILE A CG1 1 ATOM 12476 C CG2 . ILE B 2 949 ? -0.305 -37.462 78.244 1.00 114.35 ? 1627 ILE A CG2 1 ATOM 12477 C CD1 . ILE B 2 949 ? 1.432 -39.739 77.424 1.00 111.13 ? 1627 ILE A CD1 1 ATOM 12478 N N . LYS B 2 950 ? -0.251 -35.276 80.561 1.00 116.79 ? 1628 LYS A N 1 ATOM 12479 C CA . LYS B 2 950 ? -1.202 -34.842 81.582 1.00 124.30 ? 1628 LYS A CA 1 ATOM 12480 C C . LYS B 2 950 ? -2.482 -35.652 81.404 1.00 128.50 ? 1628 LYS A C 1 ATOM 12481 O O . LYS B 2 950 ? -3.303 -35.352 80.535 1.00 128.89 ? 1628 LYS A O 1 ATOM 12482 C CB . LYS B 2 950 ? -1.474 -33.345 81.480 1.00 127.47 ? 1628 LYS A CB 1 ATOM 12483 C CG . LYS B 2 950 ? -0.357 -32.459 82.002 1.00 129.09 ? 1628 LYS A CG 1 ATOM 12484 C CD . LYS B 2 950 ? -0.797 -31.002 82.025 1.00 133.88 ? 1628 LYS A CD 1 ATOM 12485 C CE . LYS B 2 950 ? 0.256 -30.108 82.656 1.00 136.48 ? 1628 LYS A CE 1 ATOM 12486 N NZ . LYS B 2 950 ? -0.191 -28.689 82.704 1.00 140.75 ? 1628 LYS A NZ 1 ATOM 12487 N N . TYR B 2 951 ? -2.653 -36.680 82.231 1.00 134.50 ? 1629 TYR A N 1 ATOM 12488 C CA . TYR B 2 951 ? -3.826 -37.541 82.180 1.00 140.30 ? 1629 TYR A CA 1 ATOM 12489 C C . TYR B 2 951 ? -4.709 -37.268 83.392 1.00 148.32 ? 1629 TYR A C 1 ATOM 12490 O O . TYR B 2 951 ? -4.206 -37.082 84.506 1.00 153.25 ? 1629 TYR A O 1 ATOM 12491 C CB . TYR B 2 951 ? -3.417 -39.018 82.128 1.00 140.71 ? 1629 TYR A CB 1 ATOM 12492 C CG . TYR B 2 951 ? -4.561 -39.974 81.871 1.00 146.68 ? 1629 TYR A CG 1 ATOM 12493 C CD1 . TYR B 2 951 ? -5.236 -39.971 80.657 1.00 147.39 ? 1629 TYR A CD1 1 ATOM 12494 C CD2 . TYR B 2 951 ? -4.959 -40.888 82.839 1.00 152.62 ? 1629 TYR A CD2 1 ATOM 12495 C CE1 . TYR B 2 951 ? -6.283 -40.844 80.418 1.00 150.37 ? 1629 TYR A CE1 1 ATOM 12496 C CE2 . TYR B 2 951 ? -6.003 -41.766 82.609 1.00 155.34 ? 1629 TYR A CE2 1 ATOM 12497 C CZ . TYR B 2 951 ? -6.662 -41.740 81.396 1.00 153.78 ? 1629 TYR A CZ 1 ATOM 12498 O OH . TYR B 2 951 ? -7.702 -42.610 81.161 1.00 155.53 ? 1629 TYR A OH 1 ATOM 12499 N N . ASN B 2 952 ? -6.026 -37.243 83.165 1.00 149.70 ? 1630 ASN A N 1 ATOM 12500 C CA . ASN B 2 952 ? -6.992 -36.806 84.169 1.00 155.65 ? 1630 ASN A CA 1 ATOM 12501 C C . ASN B 2 952 ? -6.637 -35.411 84.668 1.00 157.07 ? 1630 ASN A C 1 ATOM 12502 O O . ASN B 2 952 ? -6.958 -34.408 84.021 1.00 160.41 ? 1630 ASN A O 1 ATOM 12503 C CB . ASN B 2 952 ? -7.060 -37.787 85.346 1.00 160.51 ? 1630 ASN A CB 1 ATOM 12504 C CG . ASN B 2 952 ? -7.917 -39.003 85.048 1.00 161.08 ? 1630 ASN A CG 1 ATOM 12505 O OD1 . ASN B 2 952 ? -8.094 -39.385 83.891 1.00 156.93 ? 1630 ASN A OD1 1 ATOM 12506 N ND2 . ASN B 2 952 ? -8.456 -39.617 86.096 1.00 164.96 ? 1630 ASN A ND2 1 ATOM 12507 N N . PHE B 2 953 ? -5.968 -35.343 85.821 1.00 155.19 ? 1631 PHE A N 1 ATOM 12508 C CA . PHE B 2 953 ? -5.505 -34.080 86.378 1.00 152.52 ? 1631 PHE A CA 1 ATOM 12509 C C . PHE B 2 953 ? -4.071 -34.167 86.882 1.00 146.32 ? 1631 PHE A C 1 ATOM 12510 O O . PHE B 2 953 ? -3.604 -33.236 87.548 1.00 148.60 ? 1631 PHE A O 1 ATOM 12511 C CB . PHE B 2 953 ? -6.422 -33.618 87.517 1.00 156.23 ? 1631 PHE A CB 1 ATOM 12512 C CG . PHE B 2 953 ? -7.879 -33.584 87.154 1.00 150.79 ? 1631 PHE A CG 1 ATOM 12513 C CD1 . PHE B 2 953 ? -8.686 -34.690 87.370 1.00 151.40 ? 1631 PHE A CD1 1 ATOM 12514 C CD2 . PHE B 2 953 ? -8.446 -32.445 86.607 1.00 154.28 ? 1631 PHE A CD2 1 ATOM 12515 C CE1 . PHE B 2 953 ? -10.028 -34.661 87.043 1.00 154.95 ? 1631 PHE A CE1 1 ATOM 12516 C CE2 . PHE B 2 953 ? -9.788 -32.411 86.278 1.00 156.47 ? 1631 PHE A CE2 1 ATOM 12517 C CZ . PHE B 2 953 ? -10.580 -33.521 86.496 1.00 157.12 ? 1631 PHE A CZ 1 ATOM 12518 N N . SER B 2 954 ? -3.361 -35.255 86.588 1.00 132.31 ? 1632 SER A N 1 ATOM 12519 C CA . SER B 2 954 ? -2.025 -35.485 87.116 1.00 137.22 ? 1632 SER A CA 1 ATOM 12520 C C . SER B 2 954 ? -1.069 -35.857 85.990 1.00 131.33 ? 1632 SER A C 1 ATOM 12521 O O . SER B 2 954 ? -1.470 -36.092 84.844 1.00 127.31 ? 1632 SER A O 1 ATOM 12522 C CB . SER B 2 954 ? -2.034 -36.584 88.186 1.00 132.30 ? 1632 SER A CB 1 ATOM 12523 O OG . SER B 2 954 ? -2.563 -37.792 87.668 1.00 133.51 ? 1632 SER A OG 1 ATOM 12524 N N . PHE B 2 955 ? 0.214 -35.911 86.340 1.00 131.76 ? 1633 PHE A N 1 ATOM 12525 C CA . PHE B 2 955 ? 1.266 -36.265 85.401 1.00 127.71 ? 1633 PHE A CA 1 ATOM 12526 C C . PHE B 2 955 ? 1.328 -37.775 85.193 1.00 123.05 ? 1633 PHE A C 1 ATOM 12527 O O . PHE B 2 955 ? 0.819 -38.568 85.990 1.00 123.59 ? 1633 PHE A O 1 ATOM 12528 C CB . PHE B 2 955 ? 2.629 -35.764 85.889 1.00 131.41 ? 1633 PHE A CB 1 ATOM 12529 C CG . PHE B 2 955 ? 2.968 -34.366 85.444 1.00 135.18 ? 1633 PHE A CG 1 ATOM 12530 C CD1 . PHE B 2 955 ? 2.177 -33.700 84.524 1.00 135.66 ? 1633 PHE A CD1 1 ATOM 12531 C CD2 . PHE B 2 955 ? 4.093 -33.724 85.942 1.00 137.13 ? 1633 PHE A CD2 1 ATOM 12532 C CE1 . PHE B 2 955 ? 2.494 -32.416 84.115 1.00 136.59 ? 1633 PHE A CE1 1 ATOM 12533 C CE2 . PHE B 2 955 ? 4.415 -32.441 85.536 1.00 138.21 ? 1633 PHE A CE2 1 ATOM 12534 C CZ . PHE B 2 955 ? 3.615 -31.786 84.622 1.00 137.68 ? 1633 PHE A CZ 1 ATOM 12535 N N . ARG B 2 956 ? 1.977 -38.160 84.099 1.00 119.44 ? 1634 ARG A N 1 ATOM 12536 C CA . ARG B 2 956 ? 2.243 -39.552 83.774 1.00 118.65 ? 1634 ARG A CA 1 ATOM 12537 C C . ARG B 2 956 ? 3.482 -39.589 82.894 1.00 109.04 ? 1634 ARG A C 1 ATOM 12538 O O . ARG B 2 956 ? 3.684 -38.702 82.063 1.00 106.17 ? 1634 ARG A O 1 ATOM 12539 C CB . ARG B 2 956 ? 1.057 -40.213 83.061 1.00 126.12 ? 1634 ARG A CB 1 ATOM 12540 C CG . ARG B 2 956 ? 0.028 -40.843 83.991 1.00 137.04 ? 1634 ARG A CG 1 ATOM 12541 C CD . ARG B 2 956 ? -1.117 -41.463 83.202 1.00 141.60 ? 1634 ARG A CD 1 ATOM 12542 N NE . ARG B 2 956 ? -0.656 -42.476 82.254 1.00 139.69 ? 1634 ARG A NE 1 ATOM 12543 C CZ . ARG B 2 956 ? -1.424 -43.031 81.320 1.00 138.15 ? 1634 ARG A CZ 1 ATOM 12544 N NH1 . ARG B 2 956 ? -2.694 -42.668 81.202 1.00 142.63 ? 1634 ARG A NH1 1 ATOM 12545 N NH2 . ARG B 2 956 ? -0.921 -43.945 80.502 1.00 132.11 ? 1634 ARG A NH2 1 ATOM 12546 N N . TYR B 2 957 ? 4.313 -40.606 83.087 1.00 104.48 ? 1635 TYR A N 1 ATOM 12547 C CA . TYR B 2 957 ? 5.561 -40.743 82.352 1.00 100.21 ? 1635 TYR A CA 1 ATOM 12548 C C . TYR B 2 957 ? 5.543 -42.054 81.582 1.00 93.55 ? 1635 TYR A C 1 ATOM 12549 O O . TYR B 2 957 ? 5.155 -43.092 82.127 1.00 94.02 ? 1635 TYR A O 1 ATOM 12550 C CB . TYR B 2 957 ? 6.763 -40.686 83.299 1.00 104.67 ? 1635 TYR A CB 1 ATOM 12551 C CG . TYR B 2 957 ? 6.926 -39.347 83.983 1.00 111.37 ? 1635 TYR A CG 1 ATOM 12552 C CD1 . TYR B 2 957 ? 6.252 -39.060 85.164 1.00 118.09 ? 1635 TYR A CD1 1 ATOM 12553 C CD2 . TYR B 2 957 ? 7.748 -38.367 83.443 1.00 112.57 ? 1635 TYR A CD2 1 ATOM 12554 C CE1 . TYR B 2 957 ? 6.395 -37.834 85.788 1.00 122.71 ? 1635 TYR A CE1 1 ATOM 12555 C CE2 . TYR B 2 957 ? 7.897 -37.139 84.060 1.00 118.14 ? 1635 TYR A CE2 1 ATOM 12556 C CZ . TYR B 2 957 ? 7.220 -36.878 85.231 1.00 124.06 ? 1635 TYR A CZ 1 ATOM 12557 O OH . TYR B 2 957 ? 7.368 -35.656 85.846 1.00 133.18 ? 1635 TYR A OH 1 ATOM 12558 N N . ILE B 2 958 ? 5.948 -42.006 80.317 1.00 88.19 ? 1636 ILE A N 1 ATOM 12559 C CA . ILE B 2 958 ? 5.985 -43.194 79.473 1.00 82.15 ? 1636 ILE A CA 1 ATOM 12560 C C . ILE B 2 958 ? 7.375 -43.304 78.857 1.00 79.65 ? 1636 ILE A C 1 ATOM 12561 O O . ILE B 2 958 ? 7.911 -42.317 78.342 1.00 79.34 ? 1636 ILE A O 1 ATOM 12562 C CB . ILE B 2 958 ? 4.881 -43.159 78.397 1.00 80.71 ? 1636 ILE A CB 1 ATOM 12563 C CG1 . ILE B 2 958 ? 5.340 -43.833 77.104 1.00 89.93 ? 1636 ILE A CG1 1 ATOM 12564 C CG2 . ILE B 2 958 ? 4.414 -41.737 78.150 1.00 82.26 ? 1636 ILE A CG2 1 ATOM 12565 C CD1 . ILE B 2 958 ? 4.342 -43.707 75.976 1.00 91.18 ? 1636 ILE A CD1 1 ATOM 12566 N N . TYR B 2 959 ? 7.961 -44.499 78.929 1.00 78.28 ? 1637 TYR A N 1 ATOM 12567 C CA . TYR B 2 959 ? 9.364 -44.716 78.586 1.00 80.84 ? 1637 TYR A CA 1 ATOM 12568 C C . TYR B 2 959 ? 9.483 -45.714 77.442 1.00 77.76 ? 1637 TYR A C 1 ATOM 12569 O O . TYR B 2 959 ? 9.106 -46.887 77.610 1.00 76.59 ? 1637 TYR A O 1 ATOM 12570 C CB . TYR B 2 959 ? 10.144 -45.218 79.805 1.00 82.18 ? 1637 TYR A CB 1 ATOM 12571 C CG . TYR B 2 959 ? 10.139 -44.275 80.987 1.00 88.68 ? 1637 TYR A CG 1 ATOM 12572 C CD1 . TYR B 2 959 ? 9.056 -44.222 81.854 1.00 91.66 ? 1637 TYR A CD1 1 ATOM 12573 C CD2 . TYR B 2 959 ? 11.223 -43.447 81.245 1.00 93.64 ? 1637 TYR A CD2 1 ATOM 12574 C CE1 . TYR B 2 959 ? 9.048 -43.365 82.938 1.00 96.63 ? 1637 TYR A CE1 1 ATOM 12575 C CE2 . TYR B 2 959 ? 11.225 -42.587 82.331 1.00 97.01 ? 1637 TYR A CE2 1 ATOM 12576 C CZ . TYR B 2 959 ? 10.133 -42.548 83.170 1.00 99.16 ? 1637 TYR A CZ 1 ATOM 12577 O OH . TYR B 2 959 ? 10.130 -41.696 84.251 1.00 106.02 ? 1637 TYR A OH 1 ATOM 12578 N N . PRO B 2 960 ? 10.002 -45.320 76.283 1.00 73.70 ? 1638 PRO A N 1 ATOM 12579 C CA . PRO B 2 960 ? 10.160 -46.274 75.181 1.00 70.91 ? 1638 PRO A CA 1 ATOM 12580 C C . PRO B 2 960 ? 11.350 -47.199 75.385 1.00 68.98 ? 1638 PRO A C 1 ATOM 12581 O O . PRO B 2 960 ? 12.353 -46.846 76.008 1.00 72.74 ? 1638 PRO A O 1 ATOM 12582 C CB . PRO B 2 960 ? 10.371 -45.371 73.956 1.00 70.18 ? 1638 PRO A CB 1 ATOM 12583 C CG . PRO B 2 960 ? 9.955 -43.994 74.395 1.00 73.77 ? 1638 PRO A CG 1 ATOM 12584 C CD . PRO B 2 960 ? 10.262 -43.938 75.855 1.00 76.30 ? 1638 PRO A CD 1 ATOM 12585 N N . LEU B 2 961 ? 11.221 -48.406 74.840 1.00 67.69 ? 1639 LEU A N 1 ATOM 12586 C CA . LEU B 2 961 ? 12.251 -49.441 74.919 1.00 79.50 ? 1639 LEU A CA 1 ATOM 12587 C C . LEU B 2 961 ? 12.921 -49.535 73.553 1.00 79.60 ? 1639 LEU A C 1 ATOM 12588 O O . LEU B 2 961 ? 12.384 -50.147 72.624 1.00 75.66 ? 1639 LEU A O 1 ATOM 12589 C CB . LEU B 2 961 ? 11.655 -50.782 75.337 1.00 68.07 ? 1639 LEU A CB 1 ATOM 12590 C CG . LEU B 2 961 ? 10.901 -50.822 76.666 1.00 70.06 ? 1639 LEU A CG 1 ATOM 12591 C CD1 . LEU B 2 961 ? 10.332 -52.211 76.912 1.00 70.56 ? 1639 LEU A CD1 1 ATOM 12592 C CD2 . LEU B 2 961 ? 11.815 -50.398 77.802 1.00 72.01 ? 1639 LEU A CD2 1 ATOM 12593 N N . ASP B 2 962 ? 14.098 -48.929 73.436 1.00 82.93 ? 1640 ASP A N 1 ATOM 12594 C CA . ASP B 2 962 ? 14.811 -48.907 72.169 1.00 84.46 ? 1640 ASP A CA 1 ATOM 12595 C C . ASP B 2 962 ? 16.219 -49.457 72.347 1.00 87.70 ? 1640 ASP A C 1 ATOM 12596 O O . ASP B 2 962 ? 16.524 -50.071 73.372 1.00 87.88 ? 1640 ASP A O 1 ATOM 12597 C CB . ASP B 2 962 ? 14.844 -47.484 71.608 1.00 86.12 ? 1640 ASP A CB 1 ATOM 12598 C CG . ASP B 2 962 ? 15.453 -46.493 72.576 1.00 87.97 ? 1640 ASP A CG 1 ATOM 12599 O OD1 . ASP B 2 962 ? 15.515 -46.804 73.783 1.00 90.49 ? 1640 ASP A OD1 1 ATOM 12600 O OD2 . ASP B 2 962 ? 15.868 -45.402 72.130 1.00 88.79 ? 1640 ASP A OD2 1 ATOM 12601 N N . SER B 2 963 ? 17.078 -49.261 71.352 1.00 94.47 ? 1641 SER A N 1 ATOM 12602 C CA . SER B 2 963 ? 18.476 -49.620 71.510 1.00 99.44 ? 1641 SER A CA 1 ATOM 12603 C C . SER B 2 963 ? 19.118 -48.744 72.583 1.00 104.71 ? 1641 SER A C 1 ATOM 12604 O O . SER B 2 963 ? 18.638 -47.651 72.900 1.00 106.72 ? 1641 SER A O 1 ATOM 12605 C CB . SER B 2 963 ? 19.221 -49.479 70.182 1.00 98.62 ? 1641 SER A CB 1 ATOM 12606 O OG . SER B 2 963 ? 18.977 -48.214 69.591 1.00 97.48 ? 1641 SER A OG 1 ATOM 12607 N N . LEU B 2 964 ? 20.210 -49.247 73.154 1.00 111.82 ? 1642 LEU A N 1 ATOM 12608 C CA . LEU B 2 964 ? 20.899 -48.612 74.278 1.00 116.51 ? 1642 LEU A CA 1 ATOM 12609 C C . LEU B 2 964 ? 20.002 -48.498 75.511 1.00 110.43 ? 1642 LEU A C 1 ATOM 12610 O O . LEU B 2 964 ? 20.267 -47.691 76.407 1.00 112.07 ? 1642 LEU A O 1 ATOM 12611 C CB . LEU B 2 964 ? 21.460 -47.235 73.885 1.00 124.30 ? 1642 LEU A CB 1 ATOM 12612 C CG . LEU B 2 964 ? 22.622 -46.660 74.705 1.00 133.82 ? 1642 LEU A CG 1 ATOM 12613 C CD1 . LEU B 2 964 ? 23.757 -47.671 74.835 1.00 137.29 ? 1642 LEU A CD1 1 ATOM 12614 C CD2 . LEU B 2 964 ? 23.126 -45.356 74.099 1.00 135.41 ? 1642 LEU A CD2 1 ATOM 12615 N N . THR B 2 965 ? 18.936 -49.291 75.576 1.00 101.89 ? 1643 THR A N 1 ATOM 12616 C CA . THR B 2 965 ? 18.104 -49.397 76.770 1.00 98.84 ? 1643 THR A CA 1 ATOM 12617 C C . THR B 2 965 ? 18.463 -50.705 77.462 1.00 99.86 ? 1643 THR A C 1 ATOM 12618 O O . THR B 2 965 ? 18.110 -51.788 76.984 1.00 102.10 ? 1643 THR A O 1 ATOM 12619 C CB . THR B 2 965 ? 16.616 -49.347 76.430 1.00 94.51 ? 1643 THR A CB 1 ATOM 12620 O OG1 . THR B 2 965 ? 16.288 -48.062 75.886 1.00 94.86 ? 1643 THR A OG1 1 ATOM 12621 C CG2 . THR B 2 965 ? 15.779 -49.594 77.677 1.00 93.22 ? 1643 THR A CG2 1 ATOM 12622 N N . TRP B 2 966 ? 19.171 -50.600 78.581 1.00 99.37 ? 1644 TRP A N 1 ATOM 12623 C CA . TRP B 2 966 ? 19.694 -51.760 79.291 1.00 97.22 ? 1644 TRP A CA 1 ATOM 12624 C C . TRP B 2 966 ? 18.621 -52.276 80.243 1.00 87.12 ? 1644 TRP A C 1 ATOM 12625 O O . TRP B 2 966 ? 18.243 -51.586 81.194 1.00 87.49 ? 1644 TRP A O 1 ATOM 12626 C CB . TRP B 2 966 ? 20.971 -51.382 80.036 1.00 107.65 ? 1644 TRP A CB 1 ATOM 12627 C CG . TRP B 2 966 ? 21.741 -52.541 80.568 1.00 116.12 ? 1644 TRP A CG 1 ATOM 12628 C CD1 . TRP B 2 966 ? 22.780 -53.185 79.961 1.00 118.37 ? 1644 TRP A CD1 1 ATOM 12629 C CD2 . TRP B 2 966 ? 21.543 -53.192 81.823 1.00 121.95 ? 1644 TRP A CD2 1 ATOM 12630 N NE1 . TRP B 2 966 ? 23.239 -54.201 80.762 1.00 121.50 ? 1644 TRP A NE1 1 ATOM 12631 C CE2 . TRP B 2 966 ? 22.495 -54.227 81.912 1.00 124.36 ? 1644 TRP A CE2 1 ATOM 12632 C CE3 . TRP B 2 966 ? 20.651 -53.003 82.881 1.00 126.76 ? 1644 TRP A CE3 1 ATOM 12633 C CZ2 . TRP B 2 966 ? 22.578 -55.067 83.016 1.00 130.62 ? 1644 TRP A CZ2 1 ATOM 12634 C CZ3 . TRP B 2 966 ? 20.735 -53.839 83.972 1.00 133.28 ? 1644 TRP A CZ3 1 ATOM 12635 C CH2 . TRP B 2 966 ? 21.692 -54.854 84.035 1.00 134.75 ? 1644 TRP A CH2 1 ATOM 12636 N N . ILE B 2 967 ? 18.121 -53.483 79.980 1.00 81.91 ? 1645 ILE A N 1 ATOM 12637 C CA . ILE B 2 967 ? 17.093 -54.110 80.803 1.00 79.79 ? 1645 ILE A CA 1 ATOM 12638 C C . ILE B 2 967 ? 17.592 -55.488 81.225 1.00 88.35 ? 1645 ILE A C 1 ATOM 12639 O O . ILE B 2 967 ? 18.268 -56.174 80.450 1.00 87.50 ? 1645 ILE A O 1 ATOM 12640 C CB . ILE B 2 967 ? 15.739 -54.197 80.056 1.00 77.49 ? 1645 ILE A CB 1 ATOM 12641 C CG1 . ILE B 2 967 ? 15.478 -55.600 79.510 1.00 90.19 ? 1645 ILE A CG1 1 ATOM 12642 C CG2 . ILE B 2 967 ? 15.680 -53.194 78.911 1.00 75.26 ? 1645 ILE A CG2 1 ATOM 12643 C CD1 . ILE B 2 967 ? 14.436 -56.366 80.287 1.00 93.06 ? 1645 ILE A CD1 1 ATOM 12644 N N . GLU B 2 968 ? 17.282 -55.883 82.465 1.00 83.64 ? 1646 GLU A N 1 ATOM 12645 C CA . GLU B 2 968 ? 17.711 -57.182 82.977 1.00 91.79 ? 1646 GLU A CA 1 ATOM 12646 C C . GLU B 2 968 ? 16.705 -57.737 83.978 1.00 93.94 ? 1646 GLU A C 1 ATOM 12647 O O . GLU B 2 968 ? 16.219 -57.018 84.856 1.00 88.50 ? 1646 GLU A O 1 ATOM 12648 C CB . GLU B 2 968 ? 19.098 -57.115 83.635 1.00 88.17 ? 1646 GLU A CB 1 ATOM 12649 C CG . GLU B 2 968 ? 19.477 -58.401 84.378 1.00 99.38 ? 1646 GLU A CG 1 ATOM 12650 C CD . GLU B 2 968 ? 20.948 -58.762 84.267 1.00 101.02 ? 1646 GLU A CD 1 ATOM 12651 O OE1 . GLU B 2 968 ? 21.789 -57.843 84.218 1.00 102.15 ? 1646 GLU A OE1 1 ATOM 12652 O OE2 . GLU B 2 968 ? 21.264 -59.971 84.225 1.00 100.73 ? 1646 GLU A OE2 1 ATOM 12653 N N . TYR B 2 969 ? 16.420 -59.031 83.841 1.00 96.96 ? 1647 TYR A N 1 ATOM 12654 C CA . TYR B 2 969 ? 15.536 -59.739 84.757 1.00 100.57 ? 1647 TYR A CA 1 ATOM 12655 C C . TYR B 2 969 ? 16.149 -59.801 86.151 1.00 105.81 ? 1647 TYR A C 1 ATOM 12656 O O . TYR B 2 969 ? 17.351 -60.035 86.310 1.00 94.33 ? 1647 TYR A O 1 ATOM 12657 C CB . TYR B 2 969 ? 15.264 -61.143 84.215 1.00 104.11 ? 1647 TYR A CB 1 ATOM 12658 C CG . TYR B 2 969 ? 14.563 -62.095 85.158 1.00 113.36 ? 1647 TYR A CG 1 ATOM 12659 C CD1 . TYR B 2 969 ? 13.321 -61.789 85.698 1.00 116.64 ? 1647 TYR A CD1 1 ATOM 12660 C CD2 . TYR B 2 969 ? 15.131 -63.321 85.477 1.00 117.94 ? 1647 TYR A CD2 1 ATOM 12661 C CE1 . TYR B 2 969 ? 12.679 -62.669 86.549 1.00 119.90 ? 1647 TYR A CE1 1 ATOM 12662 C CE2 . TYR B 2 969 ? 14.495 -64.208 86.320 1.00 120.76 ? 1647 TYR A CE2 1 ATOM 12663 C CZ . TYR B 2 969 ? 13.270 -63.877 86.855 1.00 122.44 ? 1647 TYR A CZ 1 ATOM 12664 O OH . TYR B 2 969 ? 12.636 -64.758 87.699 1.00 127.97 ? 1647 TYR A OH 1 ATOM 12665 N N . TRP B 2 970 ? 15.312 -59.586 87.164 1.00 110.35 ? 1648 TRP A N 1 ATOM 12666 C CA . TRP B 2 970 ? 15.770 -59.434 88.544 1.00 116.19 ? 1648 TRP A CA 1 ATOM 12667 C C . TRP B 2 970 ? 14.814 -60.175 89.472 1.00 121.60 ? 1648 TRP A C 1 ATOM 12668 O O . TRP B 2 970 ? 13.770 -59.627 89.864 1.00 121.46 ? 1648 TRP A O 1 ATOM 12669 C CB . TRP B 2 970 ? 15.873 -57.957 88.921 1.00 117.71 ? 1648 TRP A CB 1 ATOM 12670 C CG . TRP B 2 970 ? 16.558 -57.676 90.235 1.00 124.28 ? 1648 TRP A CG 1 ATOM 12671 C CD1 . TRP B 2 970 ? 16.776 -58.553 91.257 1.00 129.86 ? 1648 TRP A CD1 1 ATOM 12672 C CD2 . TRP B 2 970 ? 17.118 -56.425 90.658 1.00 125.46 ? 1648 TRP A CD2 1 ATOM 12673 N NE1 . TRP B 2 970 ? 17.430 -57.928 92.290 1.00 134.13 ? 1648 TRP A NE1 1 ATOM 12674 C CE2 . TRP B 2 970 ? 17.653 -56.621 91.947 1.00 131.28 ? 1648 TRP A CE2 1 ATOM 12675 C CE3 . TRP B 2 970 ? 17.217 -55.159 90.072 1.00 121.58 ? 1648 TRP A CE3 1 ATOM 12676 C CZ2 . TRP B 2 970 ? 18.279 -55.599 92.660 1.00 133.16 ? 1648 TRP A CZ2 1 ATOM 12677 C CZ3 . TRP B 2 970 ? 17.838 -54.146 90.782 1.00 124.89 ? 1648 TRP A CZ3 1 ATOM 12678 C CH2 . TRP B 2 970 ? 18.361 -54.372 92.062 1.00 130.22 ? 1648 TRP A CH2 1 ATOM 12679 N N . PRO B 2 971 ? 15.126 -61.417 89.835 1.00 127.13 ? 1649 PRO A N 1 ATOM 12680 C CA . PRO B 2 971 ? 14.320 -62.109 90.847 1.00 128.23 ? 1649 PRO A CA 1 ATOM 12681 C C . PRO B 2 971 ? 14.470 -61.471 92.220 1.00 126.93 ? 1649 PRO A C 1 ATOM 12682 O O . PRO B 2 971 ? 15.508 -60.898 92.561 1.00 124.56 ? 1649 PRO A O 1 ATOM 12683 C CB . PRO B 2 971 ? 14.882 -63.535 90.837 1.00 130.78 ? 1649 PRO A CB 1 ATOM 12684 C CG . PRO B 2 971 ? 15.533 -63.681 89.514 1.00 127.29 ? 1649 PRO A CG 1 ATOM 12685 C CD . PRO B 2 971 ? 16.080 -62.325 89.179 1.00 127.22 ? 1649 PRO A CD 1 ATOM 12686 N N . ARG B 2 972 ? 13.412 -61.598 93.019 1.00 129.68 ? 1650 ARG A N 1 ATOM 12687 C CA . ARG B 2 972 ? 13.366 -60.995 94.344 1.00 130.18 ? 1650 ARG A CA 1 ATOM 12688 C C . ARG B 2 972 ? 13.949 -61.900 95.425 1.00 136.75 ? 1650 ARG A C 1 ATOM 12689 O O . ARG B 2 972 ? 14.614 -61.409 96.343 1.00 141.18 ? 1650 ARG A O 1 ATOM 12690 C CB . ARG B 2 972 ? 11.923 -60.621 94.690 1.00 126.29 ? 1650 ARG A CB 1 ATOM 12691 C CG . ARG B 2 972 ? 10.905 -61.070 93.648 1.00 122.07 ? 1650 ARG A CG 1 ATOM 12692 C CD . ARG B 2 972 ? 9.483 -60.699 94.053 1.00 126.25 ? 1650 ARG A CD 1 ATOM 12693 N NE . ARG B 2 972 ? 9.247 -59.256 94.021 1.00 127.72 ? 1650 ARG A NE 1 ATOM 12694 C CZ . ARG B 2 972 ? 8.383 -58.648 93.210 1.00 122.82 ? 1650 ARG A CZ 1 ATOM 12695 N NH1 . ARG B 2 972 ? 7.652 -59.353 92.354 1.00 117.36 ? 1650 ARG A NH1 1 ATOM 12696 N NH2 . ARG B 2 972 ? 8.244 -57.330 93.261 1.00 122.11 ? 1650 ARG A NH2 1 ATOM 12697 N N . ASP B 2 973 ? 13.718 -63.212 95.339 1.00 139.61 ? 1651 ASP A N 1 ATOM 12698 C CA . ASP B 2 973 ? 14.208 -64.146 96.349 1.00 146.00 ? 1651 ASP A CA 1 ATOM 12699 C C . ASP B 2 973 ? 15.666 -64.500 96.101 1.00 143.13 ? 1651 ASP A C 1 ATOM 12700 O O . ASP B 2 973 ? 16.376 -63.766 95.412 1.00 140.78 ? 1651 ASP A O 1 ATOM 12701 C CB . ASP B 2 973 ? 13.367 -65.423 96.365 1.00 151.57 ? 1651 ASP A CB 1 ATOM 12702 C CG . ASP B 2 973 ? 12.008 -65.231 95.731 1.00 153.18 ? 1651 ASP A CG 1 ATOM 12703 O OD1 . ASP B 2 973 ? 11.123 -64.646 96.391 1.00 157.10 ? 1651 ASP A OD1 1 ATOM 12704 O OD2 . ASP B 2 973 ? 11.830 -65.661 94.571 1.00 151.64 ? 1651 ASP A OD2 1 ATOM 12705 N N . THR B 2 974 ? 16.120 -65.633 96.649 1.00 144.64 ? 1652 THR A N 1 ATOM 12706 C CA . THR B 2 974 ? 17.506 -66.051 96.477 1.00 142.26 ? 1652 THR A CA 1 ATOM 12707 C C . THR B 2 974 ? 17.615 -67.564 96.281 1.00 139.68 ? 1652 THR A C 1 ATOM 12708 O O . THR B 2 974 ? 18.695 -68.136 96.478 1.00 142.84 ? 1652 THR A O 1 ATOM 12709 C CB . THR B 2 974 ? 18.356 -65.586 97.683 1.00 148.39 ? 1652 THR A CB 1 ATOM 12710 O OG1 . THR B 2 974 ? 17.866 -64.326 98.152 1.00 151.16 ? 1652 THR A OG1 1 ATOM 12711 C CG2 . THR B 2 974 ? 19.814 -65.389 97.284 1.00 145.50 ? 1652 THR A CG2 1 ATOM 12712 N N . THR B 2 975 ? 16.528 -68.228 95.894 1.00 137.36 ? 1653 THR A N 1 ATOM 12713 C CA . THR B 2 975 ? 16.556 -69.653 95.600 1.00 143.51 ? 1653 THR A CA 1 ATOM 12714 C C . THR B 2 975 ? 16.780 -69.921 94.120 1.00 145.66 ? 1653 THR A C 1 ATOM 12715 O O . THR B 2 975 ? 16.284 -70.905 93.574 1.00 150.95 ? 1653 THR A O 1 ATOM 12716 C CB . THR B 2 975 ? 15.265 -70.303 96.099 1.00 146.10 ? 1653 THR A CB 1 ATOM 12717 O OG1 . THR B 2 975 ? 14.863 -69.654 97.299 1.00 150.85 ? 1653 THR A OG1 1 ATOM 12718 C CG2 . THR B 2 975 ? 15.496 -71.786 96.401 1.00 146.60 ? 1653 THR A CG2 1 ATOM 12719 N N . CYS B 2 976 ? 17.509 -69.039 93.457 1.00 142.93 ? 1654 CYS A N 1 ATOM 12720 C CA . CYS B 2 976 ? 17.740 -69.177 92.026 1.00 133.97 ? 1654 CYS A CA 1 ATOM 12721 C C . CYS B 2 976 ? 19.023 -69.952 91.811 1.00 136.40 ? 1654 CYS A C 1 ATOM 12722 O O . CYS B 2 976 ? 19.718 -69.728 90.818 1.00 130.87 ? 1654 CYS A O 1 ATOM 12723 C CB . CYS B 2 976 ? 17.808 -67.815 91.365 1.00 125.99 ? 1654 CYS A CB 1 ATOM 12724 S SG . CYS B 2 976 ? 18.398 -66.595 92.533 1.00 127.67 ? 1654 CYS A SG 1 ATOM 12725 N N . SER B 2 977 ? 19.332 -70.862 92.731 1.00 144.90 ? 1655 SER A N 1 ATOM 12726 C CA . SER B 2 977 ? 20.589 -71.595 92.695 1.00 150.92 ? 1655 SER A CA 1 ATOM 12727 C C . SER B 2 977 ? 21.764 -70.644 92.721 1.00 161.60 ? 1655 SER A C 1 ATOM 12728 O O . SER B 2 977 ? 21.989 -69.922 93.705 1.00 162.61 ? 1655 SER A O 1 ATOM 12729 C CB . SER B 2 977 ? 20.698 -72.471 91.448 1.00 144.09 ? 1655 SER A CB 1 ATOM 12730 O OG . SER B 2 977 ? 21.773 -73.351 91.666 1.00 131.08 ? 1655 SER A OG 1 ATOM 12731 N N . SER B 2 978 ? 22.532 -70.639 91.645 1.00 166.99 ? 1656 SER A N 1 ATOM 12732 C CA . SER B 2 978 ? 23.721 -69.835 91.633 1.00 169.28 ? 1656 SER A CA 1 ATOM 12733 C C . SER B 2 978 ? 23.420 -68.358 91.469 1.00 169.31 ? 1656 SER A C 1 ATOM 12734 O O . SER B 2 978 ? 24.357 -67.553 91.526 1.00 174.52 ? 1656 SER A O 1 ATOM 12735 C CB . SER B 2 978 ? 24.676 -70.312 90.539 1.00 166.35 ? 1656 SER A CB 1 ATOM 12736 O OG . SER B 2 978 ? 25.982 -69.858 90.834 1.00 167.43 ? 1656 SER A OG 1 ATOM 12737 N N . CYS B 2 979 ? 22.158 -67.957 91.312 1.00 156.63 ? 1657 CYS A N 1 ATOM 12738 C CA . CYS B 2 979 ? 21.906 -66.530 91.177 1.00 150.50 ? 1657 CYS A CA 1 ATOM 12739 C C . CYS B 2 979 ? 21.936 -65.794 92.515 1.00 138.97 ? 1657 CYS A C 1 ATOM 12740 O O . CYS B 2 979 ? 21.828 -64.562 92.535 1.00 137.24 ? 1657 CYS A O 1 ATOM 12741 C CB . CYS B 2 979 ? 20.578 -66.299 90.454 1.00 161.02 ? 1657 CYS A CB 1 ATOM 12742 S SG . CYS B 2 979 ? 19.372 -65.302 91.347 1.00 171.82 ? 1657 CYS A SG 1 ATOM 12743 N N . GLN B 2 980 ? 22.094 -66.514 93.628 1.00 142.61 ? 1658 GLN A N 1 ATOM 12744 C CA . GLN B 2 980 ? 22.422 -65.870 94.898 1.00 142.47 ? 1658 GLN A CA 1 ATOM 12745 C C . GLN B 2 980 ? 23.610 -64.922 94.735 1.00 138.50 ? 1658 GLN A C 1 ATOM 12746 O O . GLN B 2 980 ? 23.578 -63.772 95.197 1.00 128.49 ? 1658 GLN A O 1 ATOM 12747 C CB . GLN B 2 980 ? 22.682 -66.944 95.968 1.00 133.08 ? 1658 GLN A CB 1 ATOM 12748 C CG . GLN B 2 980 ? 24.077 -66.982 96.591 1.00 137.03 ? 1658 GLN A CG 1 ATOM 12749 C CD . GLN B 2 980 ? 24.094 -67.634 97.965 1.00 144.86 ? 1658 GLN A CD 1 ATOM 12750 O OE1 . GLN B 2 980 ? 23.876 -68.838 98.105 1.00 144.18 ? 1658 GLN A OE1 1 ATOM 12751 N NE2 . GLN B 2 980 ? 24.359 -66.833 98.989 1.00 147.44 ? 1658 GLN A NE2 1 ATOM 12752 N N . ALA B 2 981 ? 24.655 -65.377 94.034 1.00 135.17 ? 1659 ALA A N 1 ATOM 12753 C CA . ALA B 2 981 ? 25.778 -64.502 93.715 1.00 128.19 ? 1659 ALA A CA 1 ATOM 12754 C C . ALA B 2 981 ? 25.376 -63.439 92.696 1.00 129.61 ? 1659 ALA A C 1 ATOM 12755 O O . ALA B 2 981 ? 25.846 -62.294 92.758 1.00 130.95 ? 1659 ALA A O 1 ATOM 12756 C CB . ALA B 2 981 ? 26.956 -65.334 93.200 1.00 129.82 ? 1659 ALA A CB 1 ATOM 12757 N N . PHE B 2 982 ? 24.509 -63.805 91.746 1.00 119.74 ? 1660 PHE A N 1 ATOM 12758 C CA . PHE B 2 982 ? 24.000 -62.846 90.771 1.00 124.31 ? 1660 PHE A CA 1 ATOM 12759 C C . PHE B 2 982 ? 23.376 -61.648 91.474 1.00 127.86 ? 1660 PHE A C 1 ATOM 12760 O O . PHE B 2 982 ? 23.801 -60.502 91.273 1.00 127.62 ? 1660 PHE A O 1 ATOM 12761 C CB . PHE B 2 982 ? 23.000 -63.547 89.843 1.00 117.85 ? 1660 PHE A CB 1 ATOM 12762 C CG . PHE B 2 982 ? 22.284 -62.630 88.899 1.00 111.37 ? 1660 PHE A CG 1 ATOM 12763 C CD1 . PHE B 2 982 ? 22.972 -61.701 88.142 1.00 106.15 ? 1660 PHE A CD1 1 ATOM 12764 C CD2 . PHE B 2 982 ? 20.912 -62.739 88.735 1.00 108.97 ? 1660 PHE A CD2 1 ATOM 12765 C CE1 . PHE B 2 982 ? 22.303 -60.874 87.263 1.00 106.98 ? 1660 PHE A CE1 1 ATOM 12766 C CE2 . PHE B 2 982 ? 20.234 -61.920 87.857 1.00 102.12 ? 1660 PHE A CE2 1 ATOM 12767 C CZ . PHE B 2 982 ? 20.931 -60.984 87.119 1.00 105.22 ? 1660 PHE A CZ 1 ATOM 12768 N N . LEU B 2 983 ? 22.394 -61.896 92.345 1.00 132.20 ? 1661 LEU A N 1 ATOM 12769 C CA . LEU B 2 983 ? 21.806 -60.812 93.125 1.00 135.32 ? 1661 LEU A CA 1 ATOM 12770 C C . LEU B 2 983 ? 22.811 -60.171 94.069 1.00 145.82 ? 1661 LEU A C 1 ATOM 12771 O O . LEU B 2 983 ? 22.639 -59.004 94.438 1.00 143.93 ? 1661 LEU A O 1 ATOM 12772 C CB . LEU B 2 983 ? 20.603 -61.315 93.921 1.00 132.75 ? 1661 LEU A CB 1 ATOM 12773 C CG . LEU B 2 983 ? 19.447 -61.867 93.089 1.00 129.06 ? 1661 LEU A CG 1 ATOM 12774 C CD1 . LEU B 2 983 ? 18.252 -61.998 93.983 1.00 130.37 ? 1661 LEU A CD1 1 ATOM 12775 C CD2 . LEU B 2 983 ? 19.123 -60.995 91.876 1.00 122.14 ? 1661 LEU A CD2 1 ATOM 12776 N N . ALA B 2 984 ? 23.852 -60.905 94.472 1.00 160.07 ? 1662 ALA A N 1 ATOM 12777 C CA . ALA B 2 984 ? 24.908 -60.284 95.265 1.00 171.20 ? 1662 ALA A CA 1 ATOM 12778 C C . ALA B 2 984 ? 25.554 -59.126 94.506 1.00 175.49 ? 1662 ALA A C 1 ATOM 12779 O O . ALA B 2 984 ? 25.595 -57.994 95.002 1.00 183.36 ? 1662 ALA A O 1 ATOM 12780 C CB . ALA B 2 984 ? 25.950 -61.327 95.674 1.00 173.52 ? 1662 ALA A CB 1 ATOM 12781 N N . ASN B 2 985 ? 26.037 -59.378 93.283 1.00 170.30 ? 1663 ASN A N 1 ATOM 12782 C CA . ASN B 2 985 ? 26.681 -58.292 92.541 1.00 167.50 ? 1663 ASN A CA 1 ATOM 12783 C C . ASN B 2 985 ? 25.669 -57.258 92.049 1.00 157.97 ? 1663 ASN A C 1 ATOM 12784 O O . ASN B 2 985 ? 26.000 -56.067 91.954 1.00 158.87 ? 1663 ASN A O 1 ATOM 12785 C CB . ASN B 2 985 ? 27.502 -58.844 91.370 1.00 167.49 ? 1663 ASN A CB 1 ATOM 12786 C CG . ASN B 2 985 ? 26.650 -59.529 90.319 1.00 167.35 ? 1663 ASN A CG 1 ATOM 12787 O OD1 . ASN B 2 985 ? 26.100 -58.881 89.427 1.00 166.93 ? 1663 ASN A OD1 1 ATOM 12788 N ND2 . ASN B 2 985 ? 26.554 -60.849 90.408 1.00 168.32 ? 1663 ASN A ND2 1 ATOM 12789 N N . LEU B 2 986 ? 24.441 -57.687 91.740 1.00 148.76 ? 1664 LEU A N 1 ATOM 12790 C CA . LEU B 2 986 ? 23.400 -56.745 91.336 1.00 136.19 ? 1664 LEU A CA 1 ATOM 12791 C C . LEU B 2 986 ? 23.124 -55.730 92.440 1.00 136.80 ? 1664 LEU A C 1 ATOM 12792 O O . LEU B 2 986 ? 23.075 -54.518 92.192 1.00 134.21 ? 1664 LEU A O 1 ATOM 12793 C CB . LEU B 2 986 ? 22.123 -57.504 90.968 1.00 125.12 ? 1664 LEU A CB 1 ATOM 12794 C CG . LEU B 2 986 ? 21.467 -57.179 89.622 1.00 114.47 ? 1664 LEU A CG 1 ATOM 12795 C CD1 . LEU B 2 986 ? 20.225 -58.035 89.405 1.00 110.34 ? 1664 LEU A CD1 1 ATOM 12796 C CD2 . LEU B 2 986 ? 21.127 -55.701 89.524 1.00 110.51 ? 1664 LEU A CD2 1 ATOM 12797 N N . ASP B 2 987 ? 22.943 -56.211 93.673 1.00 140.43 ? 1665 ASP A N 1 ATOM 12798 C CA . ASP B 2 987 ? 22.769 -55.312 94.807 1.00 142.59 ? 1665 ASP A CA 1 ATOM 12799 C C . ASP B 2 987 ? 24.064 -54.604 95.186 1.00 144.24 ? 1665 ASP A C 1 ATOM 12800 O O . ASP B 2 987 ? 24.016 -53.593 95.895 1.00 145.66 ? 1665 ASP A O 1 ATOM 12801 C CB . ASP B 2 987 ? 22.212 -56.077 96.011 1.00 146.65 ? 1665 ASP A CB 1 ATOM 12802 C CG . ASP B 2 987 ? 20.740 -56.428 95.850 1.00 146.46 ? 1665 ASP A CG 1 ATOM 12803 O OD1 . ASP B 2 987 ? 19.885 -55.567 96.146 1.00 147.88 ? 1665 ASP A OD1 1 ATOM 12804 O OD2 . ASP B 2 987 ? 20.436 -57.564 95.432 1.00 145.19 ? 1665 ASP A OD2 1 ATOM 12805 N N . GLU B 2 988 ? 25.218 -55.109 94.739 1.00 145.32 ? 1666 GLU A N 1 ATOM 12806 C CA . GLU B 2 988 ? 26.456 -54.350 94.891 1.00 150.00 ? 1666 GLU A CA 1 ATOM 12807 C C . GLU B 2 988 ? 26.420 -53.082 94.049 1.00 147.70 ? 1666 GLU A C 1 ATOM 12808 O O . GLU B 2 988 ? 26.691 -51.982 94.550 1.00 150.81 ? 1666 GLU A O 1 ATOM 12809 C CB . GLU B 2 988 ? 27.661 -55.210 94.512 1.00 154.85 ? 1666 GLU A CB 1 ATOM 12810 C CG . GLU B 2 988 ? 28.116 -56.165 95.598 1.00 164.56 ? 1666 GLU A CG 1 ATOM 12811 C CD . GLU B 2 988 ? 29.332 -56.966 95.186 1.00 168.85 ? 1666 GLU A CD 1 ATOM 12812 O OE1 . GLU B 2 988 ? 29.768 -56.825 94.023 1.00 167.75 ? 1666 GLU A OE1 1 ATOM 12813 O OE2 . GLU B 2 988 ? 29.853 -57.735 96.022 1.00 172.29 ? 1666 GLU A OE2 1 ATOM 12814 N N . PHE B 2 989 ? 26.090 -53.216 92.760 1.00 142.12 ? 1667 PHE A N 1 ATOM 12815 C CA . PHE B 2 989 ? 25.928 -52.033 91.917 1.00 136.94 ? 1667 PHE A CA 1 ATOM 12816 C C . PHE B 2 989 ? 24.818 -51.132 92.446 1.00 133.53 ? 1667 PHE A C 1 ATOM 12817 O O . PHE B 2 989 ? 24.990 -49.910 92.556 1.00 132.73 ? 1667 PHE A O 1 ATOM 12818 C CB . PHE B 2 989 ? 25.638 -52.445 90.473 1.00 133.69 ? 1667 PHE A CB 1 ATOM 12819 C CG . PHE B 2 989 ? 24.775 -51.461 89.727 1.00 132.61 ? 1667 PHE A CG 1 ATOM 12820 C CD1 . PHE B 2 989 ? 25.300 -50.266 89.264 1.00 133.84 ? 1667 PHE A CD1 1 ATOM 12821 C CD2 . PHE B 2 989 ? 23.435 -51.731 89.496 1.00 129.78 ? 1667 PHE A CD2 1 ATOM 12822 C CE1 . PHE B 2 989 ? 24.506 -49.359 88.585 1.00 131.17 ? 1667 PHE A CE1 1 ATOM 12823 C CE2 . PHE B 2 989 ? 22.638 -50.829 88.818 1.00 127.22 ? 1667 PHE A CE2 1 ATOM 12824 C CZ . PHE B 2 989 ? 23.174 -49.642 88.361 1.00 127.80 ? 1667 PHE A CZ 1 ATOM 12825 N N . ALA B 2 990 ? 23.666 -51.724 92.778 1.00 131.82 ? 1668 ALA A N 1 ATOM 12826 C CA . ALA B 2 990 ? 22.539 -50.940 93.273 1.00 131.00 ? 1668 ALA A CA 1 ATOM 12827 C C . ALA B 2 990 ? 22.891 -50.187 94.549 1.00 135.93 ? 1668 ALA A C 1 ATOM 12828 O O . ALA B 2 990 ? 22.367 -49.094 94.786 1.00 134.33 ? 1668 ALA A O 1 ATOM 12829 C CB . ALA B 2 990 ? 21.330 -51.846 93.507 1.00 129.14 ? 1668 ALA A CB 1 ATOM 12830 N N . GLU B 2 991 ? 23.774 -50.751 95.377 1.00 143.95 ? 1669 GLU A N 1 ATOM 12831 C CA . GLU B 2 991 ? 24.210 -50.064 96.588 1.00 153.87 ? 1669 GLU A CA 1 ATOM 12832 C C . GLU B 2 991 ? 25.231 -48.975 96.277 1.00 157.40 ? 1669 GLU A C 1 ATOM 12833 O O . GLU B 2 991 ? 25.226 -47.917 96.916 1.00 162.13 ? 1669 GLU A O 1 ATOM 12834 C CB . GLU B 2 991 ? 24.790 -51.075 97.580 1.00 160.99 ? 1669 GLU A CB 1 ATOM 12835 C CG . GLU B 2 991 ? 25.360 -50.462 98.854 1.00 171.16 ? 1669 GLU A CG 1 ATOM 12836 C CD . GLU B 2 991 ? 24.292 -49.857 99.745 1.00 176.74 ? 1669 GLU A CD 1 ATOM 12837 O OE1 . GLU B 2 991 ? 23.117 -50.264 99.630 1.00 175.50 ? 1669 GLU A OE1 1 ATOM 12838 O OE2 . GLU B 2 991 ? 24.627 -48.972 100.561 1.00 182.28 ? 1669 GLU A OE2 1 ATOM 12839 N N . ASP B 2 992 ? 26.104 -49.210 95.295 1.00 153.57 ? 1670 ASP A N 1 ATOM 12840 C CA . ASP B 2 992 ? 27.163 -48.257 94.986 1.00 156.78 ? 1670 ASP A CA 1 ATOM 12841 C C . ASP B 2 992 ? 26.679 -47.053 94.184 1.00 159.11 ? 1670 ASP A C 1 ATOM 12842 O O . ASP B 2 992 ? 27.322 -45.998 94.239 1.00 161.47 ? 1670 ASP A O 1 ATOM 12843 C CB . ASP B 2 992 ? 28.293 -48.958 94.226 1.00 154.40 ? 1670 ASP A CB 1 ATOM 12844 C CG . ASP B 2 992 ? 29.456 -48.031 93.915 1.00 155.44 ? 1670 ASP A CG 1 ATOM 12845 O OD1 . ASP B 2 992 ? 30.341 -47.878 94.783 1.00 161.97 ? 1670 ASP A OD1 1 ATOM 12846 O OD2 . ASP B 2 992 ? 29.486 -47.459 92.804 1.00 149.33 ? 1670 ASP A OD2 1 ATOM 12847 N N . ILE B 2 993 ? 25.567 -47.171 93.454 1.00 158.48 ? 1671 ILE A N 1 ATOM 12848 C CA . ILE B 2 993 ? 25.181 -46.093 92.544 1.00 157.49 ? 1671 ILE A CA 1 ATOM 12849 C C . ILE B 2 993 ? 24.726 -44.853 93.314 1.00 164.81 ? 1671 ILE A C 1 ATOM 12850 O O . ILE B 2 993 ? 25.136 -43.730 92.995 1.00 163.78 ? 1671 ILE A O 1 ATOM 12851 C CB . ILE B 2 993 ? 24.109 -46.579 91.547 1.00 146.86 ? 1671 ILE A CB 1 ATOM 12852 C CG1 . ILE B 2 993 ? 23.592 -45.415 90.698 1.00 138.61 ? 1671 ILE A CG1 1 ATOM 12853 C CG2 . ILE B 2 993 ? 22.962 -47.269 92.263 1.00 147.59 ? 1671 ILE A CG2 1 ATOM 12854 C CD1 . ILE B 2 993 ? 24.648 -44.769 89.829 1.00 135.99 ? 1671 ILE A CD1 1 ATOM 12855 N N . PHE B 2 994 ? 23.888 -45.021 94.344 1.00 171.90 ? 1672 PHE A N 1 ATOM 12856 C CA . PHE B 2 994 ? 23.302 -43.865 95.019 1.00 177.94 ? 1672 PHE A CA 1 ATOM 12857 C C . PHE B 2 994 ? 24.194 -43.268 96.101 1.00 184.34 ? 1672 PHE A C 1 ATOM 12858 O O . PHE B 2 994 ? 23.941 -42.137 96.532 1.00 192.32 ? 1672 PHE A O 1 ATOM 12859 C CB . PHE B 2 994 ? 21.933 -44.221 95.625 1.00 178.52 ? 1672 PHE A CB 1 ATOM 12860 C CG . PHE B 2 994 ? 21.978 -45.287 96.689 1.00 184.50 ? 1672 PHE A CG 1 ATOM 12861 C CD1 . PHE B 2 994 ? 22.281 -44.971 98.005 1.00 191.76 ? 1672 PHE A CD1 1 ATOM 12862 C CD2 . PHE B 2 994 ? 21.684 -46.602 96.377 1.00 182.44 ? 1672 PHE A CD2 1 ATOM 12863 C CE1 . PHE B 2 994 ? 22.313 -45.950 98.983 1.00 194.99 ? 1672 PHE A CE1 1 ATOM 12864 C CE2 . PHE B 2 994 ? 21.712 -47.586 97.351 1.00 186.09 ? 1672 PHE A CE2 1 ATOM 12865 C CZ . PHE B 2 994 ? 22.028 -47.259 98.654 1.00 192.02 ? 1672 PHE A CZ 1 ATOM 12866 N N . LEU B 2 995 ? 25.217 -43.988 96.555 1.00 182.85 ? 1673 LEU A N 1 ATOM 12867 C CA . LEU B 2 995 ? 26.122 -43.472 97.574 1.00 184.96 ? 1673 LEU A CA 1 ATOM 12868 C C . LEU B 2 995 ? 27.275 -42.661 96.997 1.00 188.98 ? 1673 LEU A C 1 ATOM 12869 O O . LEU B 2 995 ? 28.101 -42.155 97.764 1.00 196.19 ? 1673 LEU A O 1 ATOM 12870 C CB . LEU B 2 995 ? 26.681 -44.620 98.422 1.00 179.60 ? 1673 LEU A CB 1 ATOM 12871 C CG . LEU B 2 995 ? 25.740 -45.230 99.463 1.00 174.11 ? 1673 LEU A CG 1 ATOM 12872 C CD1 . LEU B 2 995 ? 26.471 -46.252 100.324 1.00 174.47 ? 1673 LEU A CD1 1 ATOM 12873 C CD2 . LEU B 2 995 ? 25.124 -44.141 100.324 1.00 176.35 ? 1673 LEU A CD2 1 ATOM 12874 N N . ASN B 2 996 ? 27.356 -42.521 95.674 1.00 185.31 ? 1674 ASN A N 1 ATOM 12875 C CA . ASN B 2 996 ? 28.442 -41.791 95.034 1.00 192.62 ? 1674 ASN A CA 1 ATOM 12876 C C . ASN B 2 996 ? 27.956 -40.533 94.326 1.00 191.07 ? 1674 ASN A C 1 ATOM 12877 O O . ASN B 2 996 ? 28.430 -39.433 94.622 1.00 197.33 ? 1674 ASN A O 1 ATOM 12878 C CB . ASN B 2 996 ? 29.183 -42.704 94.046 1.00 191.95 ? 1674 ASN A CB 1 ATOM 12879 C CG . ASN B 2 996 ? 30.166 -43.631 94.733 1.00 199.48 ? 1674 ASN A CG 1 ATOM 12880 O OD1 . ASN B 2 996 ? 30.024 -44.852 94.687 1.00 199.22 ? 1674 ASN A OD1 1 ATOM 12881 N ND2 . ASN B 2 996 ? 31.176 -43.052 95.373 1.00 206.09 ? 1674 ASN A ND2 1 ATOM 12882 N N . GLY B 2 997 ? 27.016 -40.664 93.394 1.00 197.56 ? 1675 GLY A N 1 ATOM 12883 C CA . GLY B 2 997 ? 26.617 -39.528 92.590 1.00 204.39 ? 1675 GLY A CA 1 ATOM 12884 C C . GLY B 2 997 ? 27.681 -39.189 91.569 1.00 208.41 ? 1675 GLY A C 1 ATOM 12885 O O . GLY B 2 997 ? 28.309 -38.128 91.638 1.00 210.99 ? 1675 GLY A O 1 ATOM 12886 N N . CYS B 2 998 ? 27.896 -40.100 90.624 1.00 204.03 ? 1676 CYS A N 1 ATOM 12887 C CA . CYS B 2 998 ? 28.921 -39.954 89.595 1.00 213.38 ? 1676 CYS A CA 1 ATOM 12888 C C . CYS B 2 998 ? 28.733 -38.691 88.757 1.00 212.51 ? 1676 CYS A C 1 ATOM 12889 O O . CYS B 2 998 ? 27.643 -38.407 88.261 1.00 209.81 ? 1676 CYS A O 1 ATOM 12890 C CB . CYS B 2 998 ? 28.926 -41.188 88.688 1.00 214.76 ? 1676 CYS A CB 1 ATOM 12891 S SG . CYS B 2 998 ? 27.272 -41.755 88.201 1.00 215.65 ? 1676 CYS A SG 1 ATOM 12892 O OXT . CYS B 2 998 ? 29.676 -37.926 88.551 1.00 217.72 ? 1676 CYS A OXT 1 ATOM 12893 N N . GLU C 3 18 ? -32.018 -5.933 78.159 1.00 102.23 ? 21 GLU C N 1 ATOM 12894 C CA . GLU C 3 18 ? -33.349 -6.458 77.872 1.00 105.35 ? 21 GLU C CA 1 ATOM 12895 C C . GLU C 3 18 ? -33.581 -7.801 78.567 1.00 105.09 ? 21 GLU C C 1 ATOM 12896 O O . GLU C 3 18 ? -32.698 -8.303 79.264 1.00 108.19 ? 21 GLU C O 1 ATOM 12897 C CB . GLU C 3 18 ? -33.550 -6.596 76.364 1.00 110.15 ? 21 GLU C CB 1 ATOM 12898 C CG . GLU C 3 18 ? -33.466 -5.272 75.618 1.00 116.68 ? 21 GLU C CG 1 ATOM 12899 C CD . GLU C 3 18 ? -33.612 -5.430 74.116 1.00 121.71 ? 21 GLU C CD 1 ATOM 12900 O OE1 . GLU C 3 18 ? -33.643 -6.583 73.635 1.00 124.69 ? 21 GLU C OE1 1 ATOM 12901 O OE2 . GLU C 3 18 ? -33.697 -4.399 73.415 1.00 121.11 ? 21 GLU C OE2 1 ATOM 12902 N N . SER C 3 19 ? -34.776 -8.370 78.372 1.00 100.17 ? 22 SER C N 1 ATOM 12903 C CA . SER C 3 19 ? -35.224 -9.579 79.065 1.00 92.95 ? 22 SER C CA 1 ATOM 12904 C C . SER C 3 19 ? -35.207 -9.382 80.578 1.00 79.23 ? 22 SER C C 1 ATOM 12905 O O . SER C 3 19 ? -35.048 -8.256 81.060 1.00 80.16 ? 22 SER C O 1 ATOM 12906 C CB . SER C 3 19 ? -34.367 -10.788 78.678 1.00 93.47 ? 22 SER C CB 1 ATOM 12907 O OG . SER C 3 19 ? -33.072 -10.703 79.252 1.00 92.36 ? 22 SER C OG 1 ATOM 12908 N N . ASP C 3 20 ? -35.382 -10.458 81.339 1.00 128.82 ? 23 ASP C N 1 ATOM 12909 C CA . ASP C 3 20 ? -35.282 -10.406 82.792 1.00 115.79 ? 23 ASP C CA 1 ATOM 12910 C C . ASP C 3 20 ? -34.047 -11.179 83.232 1.00 103.25 ? 23 ASP C C 1 ATOM 12911 O O . ASP C 3 20 ? -33.792 -12.285 82.747 1.00 98.19 ? 23 ASP C O 1 ATOM 12912 C CB . ASP C 3 20 ? -36.540 -10.959 83.469 1.00 114.50 ? 23 ASP C CB 1 ATOM 12913 C CG . ASP C 3 20 ? -36.738 -12.438 83.226 1.00 111.41 ? 23 ASP C CG 1 ATOM 12914 O OD1 . ASP C 3 20 ? -36.425 -12.906 82.112 1.00 113.39 ? 23 ASP C OD1 1 ATOM 12915 O OD2 . ASP C 3 20 ? -37.209 -13.132 84.151 1.00 108.33 ? 23 ASP C OD2 1 ATOM 12916 N N . CYS C 3 21 ? -33.280 -10.590 84.141 1.00 98.41 ? 24 CYS C N 1 ATOM 12917 C CA . CYS C 3 21 ? -31.988 -11.140 84.518 1.00 93.39 ? 24 CYS C CA 1 ATOM 12918 C C . CYS C 3 21 ? -32.061 -12.100 85.697 1.00 90.21 ? 24 CYS C C 1 ATOM 12919 O O . CYS C 3 21 ? -31.017 -12.559 86.168 1.00 85.50 ? 24 CYS C O 1 ATOM 12920 C CB . CYS C 3 21 ? -31.011 -10.004 84.819 1.00 95.83 ? 24 CYS C CB 1 ATOM 12921 S SG . CYS C 3 21 ? -30.424 -9.181 83.322 1.00 98.88 ? 24 CYS C SG 1 ATOM 12922 N N . THR C 3 22 ? -33.257 -12.420 86.179 1.00 94.17 ? 25 THR C N 1 ATOM 12923 C CA . THR C 3 22 ? -33.392 -13.409 87.239 1.00 96.84 ? 25 THR C CA 1 ATOM 12924 C C . THR C 3 22 ? -33.026 -14.783 86.691 1.00 96.12 ? 25 THR C C 1 ATOM 12925 O O . THR C 3 22 ? -33.645 -15.262 85.736 1.00 101.35 ? 25 THR C O 1 ATOM 12926 C CB . THR C 3 22 ? -34.816 -13.404 87.789 1.00 103.52 ? 25 THR C CB 1 ATOM 12927 O OG1 . THR C 3 22 ? -35.748 -13.440 86.701 1.00 105.37 ? 25 THR C OG1 1 ATOM 12928 C CG2 . THR C 3 22 ? -35.067 -12.151 88.629 1.00 107.90 ? 25 THR C CG2 1 ATOM 12929 N N . GLY C 3 23 ? -32.013 -15.406 87.273 1.00 90.13 ? 26 GLY C N 1 ATOM 12930 C CA . GLY C 3 23 ? -31.568 -16.706 86.802 1.00 88.13 ? 26 GLY C CA 1 ATOM 12931 C C . GLY C 3 23 ? -31.001 -17.533 87.931 1.00 88.18 ? 26 GLY C C 1 ATOM 12932 O O . GLY C 3 23 ? -30.404 -17.005 88.875 1.00 89.02 ? 26 GLY C O 1 ATOM 12933 N N . SER C 3 24 ? -31.191 -18.851 87.824 1.00 86.00 ? 27 SER C N 1 ATOM 12934 C CA . SER C 3 24 ? -30.697 -19.827 88.790 1.00 80.85 ? 27 SER C CA 1 ATOM 12935 C C . SER C 3 24 ? -31.086 -19.473 90.219 1.00 79.93 ? 27 SER C C 1 ATOM 12936 O O . SER C 3 24 ? -30.288 -18.896 90.966 1.00 76.38 ? 27 SER C O 1 ATOM 12937 C CB . SER C 3 24 ? -29.178 -19.974 88.678 1.00 75.84 ? 27 SER C CB 1 ATOM 12938 O OG . SER C 3 24 ? -28.830 -20.762 87.553 1.00 73.34 ? 27 SER C OG 1 ATOM 12939 N N . GLU C 3 25 ? -32.308 -19.819 90.604 1.00 84.10 ? 28 GLU C N 1 ATOM 12940 C CA . GLU C 3 25 ? -32.760 -19.657 91.978 1.00 89.50 ? 28 GLU C CA 1 ATOM 12941 C C . GLU C 3 25 ? -33.235 -21.004 92.522 1.00 85.78 ? 28 GLU C C 1 ATOM 12942 O O . GLU C 3 25 ? -34.105 -21.640 91.928 1.00 84.16 ? 28 GLU C O 1 ATOM 12943 C CB . GLU C 3 25 ? -33.878 -18.613 92.065 1.00 99.91 ? 28 GLU C CB 1 ATOM 12944 C CG . GLU C 3 25 ? -33.458 -17.203 91.656 1.00 105.97 ? 28 GLU C CG 1 ATOM 12945 C CD . GLU C 3 25 ? -34.590 -16.193 91.769 1.00 115.40 ? 28 GLU C CD 1 ATOM 12946 O OE1 . GLU C 3 25 ? -35.760 -16.614 91.886 1.00 122.12 ? 28 GLU C OE1 1 ATOM 12947 O OE2 . GLU C 3 25 ? -34.308 -14.975 91.744 1.00 117.70 ? 28 GLU C OE2 1 ATOM 12948 N N . PRO C 3 26 ? -32.662 -21.447 93.656 1.00 84.76 ? 29 PRO C N 1 ATOM 12949 C CA . PRO C 3 26 ? -31.629 -20.752 94.434 1.00 80.85 ? 29 PRO C CA 1 ATOM 12950 C C . PRO C 3 26 ? -30.231 -20.915 93.848 1.00 76.78 ? 29 PRO C C 1 ATOM 12951 O O . PRO C 3 26 ? -30.041 -21.724 92.942 1.00 74.52 ? 29 PRO C O 1 ATOM 12952 C CB . PRO C 3 26 ? -31.716 -21.430 95.799 1.00 81.68 ? 29 PRO C CB 1 ATOM 12953 C CG . PRO C 3 26 ? -32.124 -22.823 95.473 1.00 82.76 ? 29 PRO C CG 1 ATOM 12954 C CD . PRO C 3 26 ? -33.064 -22.714 94.297 1.00 84.00 ? 29 PRO C CD 1 ATOM 12955 N N . VAL C 3 27 ? -29.268 -20.160 94.370 1.00 75.30 ? 30 VAL C N 1 ATOM 12956 C CA . VAL C 3 27 ? -27.903 -20.195 93.858 1.00 71.56 ? 30 VAL C CA 1 ATOM 12957 C C . VAL C 3 27 ? -27.156 -21.354 94.505 1.00 71.75 ? 30 VAL C C 1 ATOM 12958 O O . VAL C 3 27 ? -27.048 -21.430 95.733 1.00 79.28 ? 30 VAL C O 1 ATOM 12959 C CB . VAL C 3 27 ? -27.179 -18.867 94.118 1.00 60.12 ? 30 VAL C CB 1 ATOM 12960 C CG1 . VAL C 3 27 ? -25.762 -18.928 93.575 1.00 62.79 ? 30 VAL C CG1 1 ATOM 12961 C CG2 . VAL C 3 27 ? -27.943 -17.716 93.495 1.00 59.41 ? 30 VAL C CG2 1 ATOM 12962 N N . ASP C 3 28 ? -26.641 -22.259 93.680 1.00 68.26 ? 31 ASP C N 1 ATOM 12963 C CA . ASP C 3 28 ? -25.763 -23.331 94.125 1.00 69.08 ? 31 ASP C CA 1 ATOM 12964 C C . ASP C 3 28 ? -24.387 -23.120 93.513 1.00 66.59 ? 31 ASP C C 1 ATOM 12965 O O . ASP C 3 28 ? -24.265 -22.942 92.295 1.00 68.21 ? 31 ASP C O 1 ATOM 12966 C CB . ASP C 3 28 ? -26.313 -24.705 93.737 1.00 72.36 ? 31 ASP C CB 1 ATOM 12967 C CG . ASP C 3 28 ? -25.392 -25.836 94.153 1.00 75.62 ? 31 ASP C CG 1 ATOM 12968 O OD1 . ASP C 3 28 ? -25.468 -26.267 95.322 1.00 77.56 ? 31 ASP C OD1 1 ATOM 12969 O OD2 . ASP C 3 28 ? -24.588 -26.291 93.313 1.00 78.34 ? 31 ASP C OD2 1 ATOM 12970 N N . ALA C 3 29 ? -23.357 -23.136 94.360 1.00 61.68 ? 32 ALA C N 1 ATOM 12971 C CA . ALA C 3 29 ? -22.004 -22.865 93.889 1.00 59.71 ? 32 ALA C CA 1 ATOM 12972 C C . ALA C 3 29 ? -21.535 -23.932 92.908 1.00 67.49 ? 32 ALA C C 1 ATOM 12973 O O . ALA C 3 29 ? -20.965 -23.618 91.856 1.00 64.85 ? 32 ALA C O 1 ATOM 12974 C CB . ALA C 3 29 ? -21.051 -22.765 95.076 1.00 61.85 ? 32 ALA C CB 1 ATOM 12975 N N . PHE C 3 30 ? -21.772 -25.205 93.235 1.00 69.75 ? 33 PHE C N 1 ATOM 12976 C CA . PHE C 3 30 ? -21.342 -26.285 92.351 1.00 70.30 ? 33 PHE C CA 1 ATOM 12977 C C . PHE C 3 30 ? -22.018 -26.184 90.990 1.00 68.91 ? 33 PHE C C 1 ATOM 12978 O O . PHE C 3 30 ? -21.387 -26.428 89.955 1.00 66.94 ? 33 PHE C O 1 ATOM 12979 C CB . PHE C 3 30 ? -21.627 -27.638 93.002 1.00 65.97 ? 33 PHE C CB 1 ATOM 12980 C CG . PHE C 3 30 ? -20.912 -28.789 92.353 1.00 67.39 ? 33 PHE C CG 1 ATOM 12981 C CD1 . PHE C 3 30 ? -19.532 -28.780 92.226 1.00 67.33 ? 33 PHE C CD1 1 ATOM 12982 C CD2 . PHE C 3 30 ? -21.616 -29.888 91.888 1.00 72.53 ? 33 PHE C CD2 1 ATOM 12983 C CE1 . PHE C 3 30 ? -18.868 -29.839 91.635 1.00 69.17 ? 33 PHE C CE1 1 ATOM 12984 C CE2 . PHE C 3 30 ? -20.958 -30.953 91.298 1.00 74.13 ? 33 PHE C CE2 1 ATOM 12985 C CZ . PHE C 3 30 ? -19.582 -30.929 91.173 1.00 75.01 ? 33 PHE C CZ 1 ATOM 12986 N N . GLN C 3 31 ? -23.302 -25.819 90.972 1.00 70.65 ? 34 GLN C N 1 ATOM 12987 C CA . GLN C 3 31 ? -23.983 -25.585 89.704 1.00 74.26 ? 34 GLN C CA 1 ATOM 12988 C C . GLN C 3 31 ? -23.395 -24.381 88.979 1.00 68.19 ? 34 GLN C C 1 ATOM 12989 O O . GLN C 3 31 ? -23.229 -24.408 87.754 1.00 68.41 ? 34 GLN C O 1 ATOM 12990 C CB . GLN C 3 31 ? -25.482 -25.398 89.940 1.00 82.99 ? 34 GLN C CB 1 ATOM 12991 C CG . GLN C 3 31 ? -26.213 -26.678 90.318 1.00 91.56 ? 34 GLN C CG 1 ATOM 12992 C CD . GLN C 3 31 ? -26.224 -27.694 89.192 1.00 98.68 ? 34 GLN C CD 1 ATOM 12993 O OE1 . GLN C 3 31 ? -26.184 -27.333 88.014 1.00 101.29 ? 34 GLN C OE1 1 ATOM 12994 N NE2 . GLN C 3 31 ? -26.273 -28.972 89.548 1.00 102.23 ? 34 GLN C NE2 1 ATOM 12995 N N . ALA C 3 32 ? -23.065 -23.319 89.720 1.00 61.21 ? 35 ALA C N 1 ATOM 12996 C CA . ALA C 3 32 ? -22.459 -22.144 89.108 1.00 57.22 ? 35 ALA C CA 1 ATOM 12997 C C . ALA C 3 32 ? -21.084 -22.442 88.525 1.00 61.00 ? 35 ALA C C 1 ATOM 12998 O O . ALA C 3 32 ? -20.644 -21.733 87.613 1.00 65.23 ? 35 ALA C O 1 ATOM 12999 C CB . ALA C 3 32 ? -22.360 -21.008 90.126 1.00 52.06 ? 35 ALA C CB 1 ATOM 13000 N N . PHE C 3 33 ? -20.403 -23.471 89.025 1.00 60.21 ? 36 PHE C N 1 ATOM 13001 C CA . PHE C 3 33 ? -19.115 -23.895 88.497 1.00 63.31 ? 36 PHE C CA 1 ATOM 13002 C C . PHE C 3 33 ? -19.242 -24.990 87.436 1.00 63.63 ? 36 PHE C C 1 ATOM 13003 O O . PHE C 3 33 ? -18.257 -25.684 87.156 1.00 61.89 ? 36 PHE C O 1 ATOM 13004 C CB . PHE C 3 33 ? -18.215 -24.370 89.639 1.00 66.42 ? 36 PHE C CB 1 ATOM 13005 C CG . PHE C 3 33 ? -17.851 -23.286 90.612 1.00 71.49 ? 36 PHE C CG 1 ATOM 13006 C CD1 . PHE C 3 33 ? -17.482 -22.031 90.160 1.00 72.17 ? 36 PHE C CD1 1 ATOM 13007 C CD2 . PHE C 3 33 ? -17.886 -23.518 91.979 1.00 75.88 ? 36 PHE C CD2 1 ATOM 13008 C CE1 . PHE C 3 33 ? -17.146 -21.028 91.050 1.00 75.37 ? 36 PHE C CE1 1 ATOM 13009 C CE2 . PHE C 3 33 ? -17.554 -22.519 92.876 1.00 75.53 ? 36 PHE C CE2 1 ATOM 13010 C CZ . PHE C 3 33 ? -17.184 -21.275 92.411 1.00 76.72 ? 36 PHE C CZ 1 ATOM 13011 N N . SER C 3 34 ? -20.428 -25.153 86.842 1.00 62.76 ? 37 SER C N 1 ATOM 13012 C CA . SER C 3 34 ? -20.679 -26.191 85.839 1.00 63.23 ? 37 SER C CA 1 ATOM 13013 C C . SER C 3 34 ? -20.338 -27.583 86.368 1.00 68.82 ? 37 SER C C 1 ATOM 13014 O O . SER C 3 34 ? -19.885 -28.453 85.618 1.00 70.43 ? 37 SER C O 1 ATOM 13015 C CB . SER C 3 34 ? -19.919 -25.909 84.539 1.00 57.28 ? 37 SER C CB 1 ATOM 13016 O OG . SER C 3 34 ? -20.362 -24.705 83.943 1.00 57.07 ? 37 SER C OG 1 ATOM 13017 N N . GLU C 3 35 ? -20.552 -27.795 87.668 1.00 70.30 ? 38 GLU C N 1 ATOM 13018 C CA . GLU C 3 35 ? -20.281 -29.073 88.324 1.00 71.74 ? 38 GLU C CA 1 ATOM 13019 C C . GLU C 3 35 ? -18.827 -29.503 88.152 1.00 72.75 ? 38 GLU C C 1 ATOM 13020 O O . GLU C 3 35 ? -18.520 -30.696 88.122 1.00 76.14 ? 38 GLU C O 1 ATOM 13021 C CB . GLU C 3 35 ? -21.231 -30.166 87.825 1.00 73.68 ? 38 GLU C CB 1 ATOM 13022 C CG . GLU C 3 35 ? -22.689 -29.918 88.179 1.00 76.22 ? 38 GLU C CG 1 ATOM 13023 C CD . GLU C 3 35 ? -23.596 -31.056 87.757 1.00 83.31 ? 38 GLU C CD 1 ATOM 13024 O OE1 . GLU C 3 35 ? -23.148 -31.906 86.960 1.00 94.16 ? 38 GLU C OE1 1 ATOM 13025 O OE2 . GLU C 3 35 ? -24.754 -31.103 88.223 1.00 82.34 ? 38 GLU C OE2 1 ATOM 13026 N N . GLY C 3 36 ? -17.924 -28.532 88.043 1.00 71.98 ? 39 GLY C N 1 ATOM 13027 C CA . GLY C 3 36 ? -16.508 -28.826 87.942 1.00 62.65 ? 39 GLY C CA 1 ATOM 13028 C C . GLY C 3 36 ? -16.074 -29.379 86.605 1.00 74.14 ? 39 GLY C C 1 ATOM 13029 O O . GLY C 3 36 ? -15.068 -30.091 86.536 1.00 76.47 ? 39 GLY C O 1 ATOM 13030 N N . LYS C 3 37 ? -16.807 -29.074 85.534 1.00 74.04 ? 40 LYS C N 1 ATOM 13031 C CA . LYS C 3 37 ? -16.466 -29.559 84.205 1.00 73.41 ? 40 LYS C CA 1 ATOM 13032 C C . LYS C 3 37 ? -15.877 -28.488 83.298 1.00 75.83 ? 40 LYS C C 1 ATOM 13033 O O . LYS C 3 37 ? -15.384 -28.826 82.216 1.00 78.87 ? 40 LYS C O 1 ATOM 13034 C CB . LYS C 3 37 ? -17.702 -30.159 83.517 1.00 73.39 ? 40 LYS C CB 1 ATOM 13035 C CG . LYS C 3 37 ? -18.341 -31.327 84.247 1.00 79.76 ? 40 LYS C CG 1 ATOM 13036 C CD . LYS C 3 37 ? -19.528 -31.868 83.460 1.00 82.49 ? 40 LYS C CD 1 ATOM 13037 C CE . LYS C 3 37 ? -20.343 -32.849 84.285 1.00 87.08 ? 40 LYS C CE 1 ATOM 13038 N NZ . LYS C 3 37 ? -19.522 -34.004 84.732 1.00 93.11 ? 40 LYS C NZ 1 ATOM 13039 N N . GLU C 3 38 ? -15.915 -27.217 83.698 1.00 71.95 ? 41 GLU C N 1 ATOM 13040 C CA . GLU C 3 38 ? -15.478 -26.123 82.845 1.00 69.79 ? 41 GLU C CA 1 ATOM 13041 C C . GLU C 3 38 ? -14.596 -25.164 83.633 1.00 65.73 ? 41 GLU C C 1 ATOM 13042 O O . GLU C 3 38 ? -14.584 -25.166 84.866 1.00 70.89 ? 41 GLU C O 1 ATOM 13043 C CB . GLU C 3 38 ? -16.675 -25.368 82.252 1.00 73.27 ? 41 GLU C CB 1 ATOM 13044 C CG . GLU C 3 38 ? -17.551 -26.196 81.319 1.00 84.91 ? 41 GLU C CG 1 ATOM 13045 C CD . GLU C 3 38 ? -16.952 -26.372 79.930 1.00 96.48 ? 41 GLU C CD 1 ATOM 13046 O OE1 . GLU C 3 38 ? -15.867 -25.812 79.659 1.00 101.48 ? 41 GLU C OE1 1 ATOM 13047 O OE2 . GLU C 3 38 ? -17.574 -27.070 79.102 1.00 100.96 ? 41 GLU C OE2 1 ATOM 13048 N N . ALA C 3 39 ? -13.854 -24.337 82.899 1.00 59.69 ? 42 ALA C N 1 ATOM 13049 C CA . ALA C 3 39 ? -12.987 -23.322 83.482 1.00 55.63 ? 42 ALA C CA 1 ATOM 13050 C C . ALA C 3 39 ? -13.626 -21.946 83.357 1.00 55.18 ? 42 ALA C C 1 ATOM 13051 O O . ALA C 3 39 ? -14.293 -21.645 82.362 1.00 50.96 ? 42 ALA C O 1 ATOM 13052 C CB . ALA C 3 39 ? -11.613 -23.307 82.811 1.00 54.00 ? 42 ALA C CB 1 ATOM 13053 N N . TYR C 3 40 ? -13.405 -21.112 84.370 1.00 53.53 ? 43 TYR C N 1 ATOM 13054 C CA . TYR C 3 40 ? -13.968 -19.776 84.436 1.00 48.81 ? 43 TYR C CA 1 ATOM 13055 C C . TYR C 3 40 ? -12.849 -18.753 84.568 1.00 52.48 ? 43 TYR C C 1 ATOM 13056 O O . TYR C 3 40 ? -11.812 -19.014 85.188 1.00 54.64 ? 43 TYR C O 1 ATOM 13057 C CB . TYR C 3 40 ? -14.945 -19.641 85.608 1.00 45.91 ? 43 TYR C CB 1 ATOM 13058 C CG . TYR C 3 40 ? -16.258 -20.365 85.407 1.00 45.80 ? 43 TYR C CG 1 ATOM 13059 C CD1 . TYR C 3 40 ? -16.339 -21.745 85.533 1.00 47.35 ? 43 TYR C CD1 1 ATOM 13060 C CD2 . TYR C 3 40 ? -17.420 -19.667 85.099 1.00 49.60 ? 43 TYR C CD2 1 ATOM 13061 C CE1 . TYR C 3 40 ? -17.538 -22.414 85.352 1.00 47.64 ? 43 TYR C CE1 1 ATOM 13062 C CE2 . TYR C 3 40 ? -18.628 -20.329 84.915 1.00 51.46 ? 43 TYR C CE2 1 ATOM 13063 C CZ . TYR C 3 40 ? -18.678 -21.705 85.046 1.00 51.46 ? 43 TYR C CZ 1 ATOM 13064 O OH . TYR C 3 40 ? -19.864 -22.382 84.866 1.00 49.86 ? 43 TYR C OH 1 ATOM 13065 N N . VAL C 3 41 ? -13.073 -17.584 83.974 1.00 50.32 ? 44 VAL C N 1 ATOM 13066 C CA . VAL C 3 41 ? -12.092 -16.509 83.929 1.00 49.77 ? 44 VAL C CA 1 ATOM 13067 C C . VAL C 3 41 ? -12.673 -15.290 84.626 1.00 50.54 ? 44 VAL C C 1 ATOM 13068 O O . VAL C 3 41 ? -13.870 -15.004 84.514 1.00 49.57 ? 44 VAL C O 1 ATOM 13069 C CB . VAL C 3 41 ? -11.681 -16.164 82.481 1.00 47.74 ? 44 VAL C CB 1 ATOM 13070 C CG1 . VAL C 3 41 ? -10.917 -17.314 81.863 1.00 51.50 ? 44 VAL C CG1 1 ATOM 13071 C CG2 . VAL C 3 41 ? -12.901 -15.842 81.639 1.00 42.93 ? 44 VAL C CG2 1 ATOM 13072 N N . LEU C 3 42 ? -11.821 -14.579 85.352 1.00 54.11 ? 45 LEU C N 1 ATOM 13073 C CA . LEU C 3 42 ? -12.237 -13.372 86.048 1.00 52.11 ? 45 LEU C CA 1 ATOM 13074 C C . LEU C 3 42 ? -12.253 -12.217 85.056 1.00 50.33 ? 45 LEU C C 1 ATOM 13075 O O . LEU C 3 42 ? -11.224 -11.904 84.446 1.00 49.22 ? 45 LEU C O 1 ATOM 13076 C CB . LEU C 3 42 ? -11.292 -13.090 87.212 1.00 54.86 ? 45 LEU C CB 1 ATOM 13077 C CG . LEU C 3 42 ? -11.629 -11.893 88.097 1.00 60.11 ? 45 LEU C CG 1 ATOM 13078 C CD1 . LEU C 3 42 ? -12.997 -12.064 88.738 1.00 62.90 ? 45 LEU C CD1 1 ATOM 13079 C CD2 . LEU C 3 42 ? -10.556 -11.711 89.156 1.00 62.82 ? 45 LEU C CD2 1 ATOM 13080 N N . VAL C 3 43 ? -13.418 -11.596 84.877 1.00 51.58 ? 46 VAL C N 1 ATOM 13081 C CA . VAL C 3 43 ? -13.559 -10.508 83.925 1.00 52.29 ? 46 VAL C CA 1 ATOM 13082 C C . VAL C 3 43 ? -13.800 -9.163 84.601 1.00 54.27 ? 46 VAL C C 1 ATOM 13083 O O . VAL C 3 43 ? -13.472 -8.126 84.013 1.00 59.62 ? 46 VAL C O 1 ATOM 13084 C CB . VAL C 3 43 ? -14.669 -10.803 82.892 1.00 46.87 ? 46 VAL C CB 1 ATOM 13085 C CG1 . VAL C 3 43 ? -14.240 -11.930 81.964 1.00 43.47 ? 46 VAL C CG1 1 ATOM 13086 C CG2 . VAL C 3 43 ? -15.989 -11.129 83.581 1.00 43.70 ? 46 VAL C CG2 1 ATOM 13087 N N . ARG C 3 44 ? -14.357 -9.142 85.810 1.00 55.78 ? 47 ARG C N 1 ATOM 13088 C CA . ARG C 3 44 ? -14.562 -7.905 86.552 1.00 52.54 ? 47 ARG C CA 1 ATOM 13089 C C . ARG C 3 44 ? -14.305 -8.157 88.029 1.00 52.79 ? 47 ARG C C 1 ATOM 13090 O O . ARG C 3 44 ? -14.655 -9.217 88.552 1.00 53.72 ? 47 ARG C O 1 ATOM 13091 C CB . ARG C 3 44 ? -15.979 -7.358 86.357 1.00 51.86 ? 47 ARG C CB 1 ATOM 13092 C CG . ARG C 3 44 ? -16.276 -6.861 84.956 1.00 51.69 ? 47 ARG C CG 1 ATOM 13093 C CD . ARG C 3 44 ? -17.741 -6.508 84.814 1.00 50.11 ? 47 ARG C CD 1 ATOM 13094 N NE . ARG C 3 44 ? -18.041 -5.964 83.498 1.00 50.12 ? 47 ARG C NE 1 ATOM 13095 C CZ . ARG C 3 44 ? -18.036 -4.670 83.213 1.00 57.33 ? 47 ARG C CZ 1 ATOM 13096 N NH1 . ARG C 3 44 ? -17.748 -3.784 84.156 1.00 59.69 ? 47 ARG C NH1 1 ATOM 13097 N NH2 . ARG C 3 44 ? -18.321 -4.259 81.985 1.00 62.77 ? 47 ARG C NH2 1 ATOM 13098 N N . SER C 3 45 ? -13.691 -7.184 88.699 1.00 57.17 ? 48 SER C N 1 ATOM 13099 C CA . SER C 3 45 ? -13.432 -7.308 90.127 1.00 62.95 ? 48 SER C CA 1 ATOM 13100 C C . SER C 3 45 ? -13.202 -5.928 90.723 1.00 65.75 ? 48 SER C C 1 ATOM 13101 O O . SER C 3 45 ? -12.531 -5.090 90.118 1.00 69.58 ? 48 SER C O 1 ATOM 13102 C CB . SER C 3 45 ? -12.219 -8.204 90.408 1.00 63.37 ? 48 SER C CB 1 ATOM 13103 O OG . SER C 3 45 ? -11.944 -8.256 91.798 1.00 62.68 ? 48 SER C OG 1 ATOM 13104 N N . THR C 3 46 ? -13.761 -5.704 91.911 1.00 68.99 ? 49 THR C N 1 ATOM 13105 C CA . THR C 3 46 ? -13.501 -4.472 92.644 1.00 71.98 ? 49 THR C CA 1 ATOM 13106 C C . THR C 3 46 ? -12.215 -4.540 93.456 1.00 74.88 ? 49 THR C C 1 ATOM 13107 O O . THR C 3 46 ? -11.807 -3.526 94.033 1.00 78.56 ? 49 THR C O 1 ATOM 13108 C CB . THR C 3 46 ? -14.680 -4.142 93.567 1.00 70.39 ? 49 THR C CB 1 ATOM 13109 O OG1 . THR C 3 46 ? -14.887 -5.220 94.482 1.00 71.04 ? 49 THR C OG1 1 ATOM 13110 C CG2 . THR C 3 46 ? -15.951 -3.934 92.760 1.00 65.71 ? 49 THR C CG2 1 ATOM 13111 N N . ASP C 3 47 ? -11.575 -5.698 93.510 1.00 74.35 ? 50 ASP C N 1 ATOM 13112 C CA . ASP C 3 47 ? -10.303 -5.844 94.205 1.00 77.55 ? 50 ASP C CA 1 ATOM 13113 C C . ASP C 3 47 ? -9.206 -5.142 93.415 1.00 81.33 ? 50 ASP C C 1 ATOM 13114 O O . ASP C 3 47 ? -8.914 -5.550 92.281 1.00 80.47 ? 50 ASP C O 1 ATOM 13115 C CB . ASP C 3 47 ? -9.975 -7.325 94.381 1.00 76.91 ? 50 ASP C CB 1 ATOM 13116 C CG . ASP C 3 47 ? -8.805 -7.563 95.318 1.00 81.26 ? 50 ASP C CG 1 ATOM 13117 O OD1 . ASP C 3 47 ? -7.789 -6.844 95.218 1.00 82.36 ? 50 ASP C OD1 1 ATOM 13118 O OD2 . ASP C 3 47 ? -8.903 -8.481 96.160 1.00 86.00 ? 50 ASP C OD2 1 ATOM 13119 N N . PRO C 3 48 ? -8.571 -4.103 93.963 1.00 81.87 ? 51 PRO C N 1 ATOM 13120 C CA . PRO C 3 48 ? -7.499 -3.424 93.216 1.00 79.17 ? 51 PRO C CA 1 ATOM 13121 C C . PRO C 3 48 ? -6.285 -4.299 92.967 1.00 72.74 ? 51 PRO C C 1 ATOM 13122 O O . PRO C 3 48 ? -5.485 -3.978 92.080 1.00 72.66 ? 51 PRO C O 1 ATOM 13123 C CB . PRO C 3 48 ? -7.150 -2.227 94.111 1.00 86.67 ? 51 PRO C CB 1 ATOM 13124 C CG . PRO C 3 48 ? -7.579 -2.645 95.487 1.00 89.51 ? 51 PRO C CG 1 ATOM 13125 C CD . PRO C 3 48 ? -8.795 -3.504 95.290 1.00 86.22 ? 51 PRO C CD 1 ATOM 13126 N N . LYS C 3 49 ? -6.120 -5.391 93.712 1.00 71.77 ? 52 LYS C N 1 ATOM 13127 C CA . LYS C 3 49 ? -4.998 -6.300 93.536 1.00 75.22 ? 52 LYS C CA 1 ATOM 13128 C C . LYS C 3 49 ? -5.376 -7.541 92.734 1.00 73.35 ? 52 LYS C C 1 ATOM 13129 O O . LYS C 3 49 ? -4.688 -8.563 92.825 1.00 67.61 ? 52 LYS C O 1 ATOM 13130 C CB . LYS C 3 49 ? -4.428 -6.707 94.898 1.00 77.52 ? 52 LYS C CB 1 ATOM 13131 C CG . LYS C 3 49 ? -3.948 -5.548 95.757 1.00 82.80 ? 52 LYS C CG 1 ATOM 13132 C CD . LYS C 3 49 ? -3.194 -6.055 96.981 1.00 89.58 ? 52 LYS C CD 1 ATOM 13133 C CE . LYS C 3 49 ? -2.887 -4.936 97.968 1.00 95.95 ? 52 LYS C CE 1 ATOM 13134 N NZ . LYS C 3 49 ? -4.113 -4.403 98.629 1.00 97.16 ? 52 LYS C NZ 1 ATOM 13135 N N . ALA C 3 50 ? -6.454 -7.471 91.954 1.00 74.60 ? 53 ALA C N 1 ATOM 13136 C CA . ALA C 3 50 ? -6.926 -8.635 91.215 1.00 72.64 ? 53 ALA C CA 1 ATOM 13137 C C . ALA C 3 50 ? -5.854 -9.131 90.253 1.00 76.51 ? 53 ALA C C 1 ATOM 13138 O O . ALA C 3 50 ? -5.281 -8.352 89.487 1.00 86.74 ? 53 ALA C O 1 ATOM 13139 C CB . ALA C 3 50 ? -8.207 -8.289 90.457 1.00 66.85 ? 53 ALA C CB 1 ATOM 13140 N N . ARG C 3 51 ? -5.582 -10.433 90.300 1.00 73.73 ? 54 ARG C N 1 ATOM 13141 C CA . ARG C 3 51 ? -4.523 -11.010 89.482 1.00 76.78 ? 54 ARG C CA 1 ATOM 13142 C C . ARG C 3 51 ? -4.870 -10.928 88.000 1.00 71.16 ? 54 ARG C C 1 ATOM 13143 O O . ARG C 3 51 ? -5.995 -11.227 87.589 1.00 68.48 ? 54 ARG C O 1 ATOM 13144 C CB . ARG C 3 51 ? -4.281 -12.463 89.884 1.00 81.99 ? 54 ARG C CB 1 ATOM 13145 C CG . ARG C 3 51 ? -3.909 -12.643 91.345 1.00 88.69 ? 54 ARG C CG 1 ATOM 13146 C CD . ARG C 3 51 ? -2.513 -12.119 91.644 1.00 97.94 ? 54 ARG C CD 1 ATOM 13147 N NE . ARG C 3 51 ? -2.217 -12.187 93.072 1.00 108.34 ? 54 ARG C NE 1 ATOM 13148 C CZ . ARG C 3 51 ? -1.796 -13.282 93.698 1.00 112.66 ? 54 ARG C CZ 1 ATOM 13149 N NH1 . ARG C 3 51 ? -1.616 -14.408 93.022 1.00 112.20 ? 54 ARG C NH1 1 ATOM 13150 N NH2 . ARG C 3 51 ? -1.556 -13.252 95.003 1.00 115.36 ? 54 ARG C NH2 1 ATOM 13151 N N . ASP C 3 52 ? -3.891 -10.526 87.194 1.00 70.47 ? 55 ASP C N 1 ATOM 13152 C CA . ASP C 3 52 ? -4.104 -10.412 85.757 1.00 68.05 ? 55 ASP C CA 1 ATOM 13153 C C . ASP C 3 52 ? -4.336 -11.779 85.130 1.00 64.86 ? 55 ASP C C 1 ATOM 13154 O O . ASP C 3 52 ? -3.625 -12.744 85.425 1.00 64.85 ? 55 ASP C O 1 ATOM 13155 C CB . ASP C 3 52 ? -2.907 -9.740 85.090 1.00 69.88 ? 55 ASP C CB 1 ATOM 13156 C CG . ASP C 3 52 ? -2.716 -8.318 85.542 1.00 73.27 ? 55 ASP C CG 1 ATOM 13157 O OD1 . ASP C 3 52 ? -3.690 -7.727 86.056 1.00 78.45 ? 55 ASP C OD1 1 ATOM 13158 O OD2 . ASP C 3 52 ? -1.596 -7.789 85.380 1.00 71.03 ? 55 ASP C OD2 1 ATOM 13159 N N . CYS C 3 53 ? -5.342 -11.851 84.257 1.00 64.73 ? 56 CYS C N 1 ATOM 13160 C CA . CYS C 3 53 ? -5.628 -13.054 83.475 1.00 64.47 ? 56 CYS C CA 1 ATOM 13161 C C . CYS C 3 53 ? -5.939 -14.246 84.377 1.00 66.06 ? 56 CYS C C 1 ATOM 13162 O O . CYS C 3 53 ? -5.526 -15.378 84.112 1.00 67.69 ? 56 CYS C O 1 ATOM 13163 C CB . CYS C 3 53 ? -4.472 -13.371 82.524 1.00 64.41 ? 56 CYS C CB 1 ATOM 13164 S SG . CYS C 3 53 ? -3.935 -11.947 81.541 1.00 66.17 ? 56 CYS C SG 1 ATOM 13165 N N . LEU C 3 54 ? -6.682 -13.991 85.449 1.00 66.33 ? 57 LEU C N 1 ATOM 13166 C CA . LEU C 3 54 ? -6.982 -15.035 86.418 1.00 65.38 ? 57 LEU C CA 1 ATOM 13167 C C . LEU C 3 54 ? -8.020 -15.997 85.848 1.00 67.55 ? 57 LEU C C 1 ATOM 13168 O O . LEU C 3 54 ? -9.114 -15.581 85.452 1.00 68.89 ? 57 LEU C O 1 ATOM 13169 C CB . LEU C 3 54 ? -7.472 -14.409 87.719 1.00 63.10 ? 57 LEU C CB 1 ATOM 13170 C CG . LEU C 3 54 ? -7.549 -15.322 88.942 1.00 60.54 ? 57 LEU C CG 1 ATOM 13171 C CD1 . LEU C 3 54 ? -6.222 -16.021 89.186 1.00 60.18 ? 57 LEU C CD1 1 ATOM 13172 C CD2 . LEU C 3 54 ? -7.962 -14.516 90.158 1.00 57.75 ? 57 LEU C CD2 1 ATOM 13173 N N . LYS C 3 55 ? -7.669 -17.281 85.799 1.00 65.89 ? 58 LYS C N 1 ATOM 13174 C CA . LYS C 3 55 ? -8.544 -18.341 85.316 1.00 60.72 ? 58 LYS C CA 1 ATOM 13175 C C . LYS C 3 55 ? -8.524 -19.487 86.316 1.00 60.92 ? 58 LYS C C 1 ATOM 13176 O O . LYS C 3 55 ? -7.451 -19.918 86.746 1.00 62.61 ? 58 LYS C O 1 ATOM 13177 C CB . LYS C 3 55 ? -8.103 -18.847 83.939 1.00 56.84 ? 58 LYS C CB 1 ATOM 13178 C CG . LYS C 3 55 ? -8.937 -20.007 83.423 1.00 58.23 ? 58 LYS C CG 1 ATOM 13179 C CD . LYS C 3 55 ? -8.140 -20.900 82.486 1.00 61.85 ? 58 LYS C CD 1 ATOM 13180 C CE . LYS C 3 55 ? -7.740 -20.165 81.220 1.00 62.04 ? 58 LYS C CE 1 ATOM 13181 N NZ . LYS C 3 55 ? -6.867 -20.993 80.343 1.00 63.83 ? 58 LYS C NZ 1 ATOM 13182 N N . GLY C 3 56 ? -9.702 -19.981 86.682 1.00 55.12 ? 59 GLY C N 1 ATOM 13183 C CA . GLY C 3 56 ? -9.827 -21.120 87.574 1.00 58.76 ? 59 GLY C CA 1 ATOM 13184 C C . GLY C 3 56 ? -10.368 -22.322 86.817 1.00 65.12 ? 59 GLY C C 1 ATOM 13185 O O . GLY C 3 56 ? -11.383 -22.223 86.126 1.00 68.02 ? 59 GLY C O 1 ATOM 13186 N N . GLU C 3 57 ? -9.671 -23.445 86.947 1.00 68.67 ? 60 GLU C N 1 ATOM 13187 C CA . GLU C 3 57 ? -10.098 -24.667 86.289 1.00 73.13 ? 60 GLU C CA 1 ATOM 13188 C C . GLU C 3 57 ? -10.057 -25.827 87.270 1.00 77.50 ? 60 GLU C C 1 ATOM 13189 O O . GLU C 3 57 ? -9.241 -25.832 88.194 1.00 81.13 ? 60 GLU C O 1 ATOM 13190 C CB . GLU C 3 57 ? -9.217 -24.983 85.070 1.00 78.50 ? 60 GLU C CB 1 ATOM 13191 C CG . GLU C 3 57 ? -7.732 -24.757 85.282 1.00 86.48 ? 60 GLU C CG 1 ATOM 13192 C CD . GLU C 3 57 ? -6.924 -25.016 84.022 1.00 93.58 ? 60 GLU C CD 1 ATOM 13193 O OE1 . GLU C 3 57 ? -7.439 -25.703 83.114 1.00 94.78 ? 60 GLU C OE1 1 ATOM 13194 O OE2 . GLU C 3 57 ? -5.777 -24.528 83.938 1.00 100.06 ? 60 GLU C OE2 1 ATOM 13195 N N . PRO C 3 58 ? -10.932 -26.816 87.101 1.00 77.75 ? 61 PRO C N 1 ATOM 13196 C CA . PRO C 3 58 ? -10.942 -27.955 88.028 1.00 80.32 ? 61 PRO C CA 1 ATOM 13197 C C . PRO C 3 58 ? -9.636 -28.733 87.968 1.00 84.56 ? 61 PRO C C 1 ATOM 13198 O O . PRO C 3 58 ? -9.138 -29.064 86.890 1.00 83.43 ? 61 PRO C O 1 ATOM 13199 C CB . PRO C 3 58 ? -12.126 -28.798 87.541 1.00 83.49 ? 61 PRO C CB 1 ATOM 13200 C CG . PRO C 3 58 ? -12.315 -28.394 86.112 1.00 81.69 ? 61 PRO C CG 1 ATOM 13201 C CD . PRO C 3 58 ? -11.974 -26.937 86.068 1.00 76.48 ? 61 PRO C CD 1 ATOM 13202 N N . ALA C 3 59 ? -9.083 -29.023 89.145 1.00 91.03 ? 62 ALA C N 1 ATOM 13203 C CA . ALA C 3 59 ? -7.837 -29.768 89.270 1.00 93.48 ? 62 ALA C CA 1 ATOM 13204 C C . ALA C 3 59 ? -8.053 -31.181 89.799 1.00 101.88 ? 62 ALA C C 1 ATOM 13205 O O . ALA C 3 59 ? -7.084 -31.841 90.191 1.00 105.75 ? 62 ALA C O 1 ATOM 13206 C CB . ALA C 3 59 ? -6.859 -29.009 90.171 1.00 87.98 ? 62 ALA C CB 1 ATOM 13207 N N . GLY C 3 60 ? -9.291 -31.660 89.816 1.00 104.59 ? 63 GLY C N 1 ATOM 13208 C CA . GLY C 3 60 ? -9.569 -32.992 90.321 1.00 112.75 ? 63 GLY C CA 1 ATOM 13209 C C . GLY C 3 60 ? -11.057 -33.256 90.323 1.00 116.87 ? 63 GLY C C 1 ATOM 13210 O O . GLY C 3 60 ? -11.864 -32.426 89.889 1.00 115.10 ? 63 GLY C O 1 ATOM 13211 N N . GLU C 3 61 ? -11.413 -34.435 90.824 1.00 124.13 ? 64 GLU C N 1 ATOM 13212 C CA . GLU C 3 61 ? -12.806 -34.839 90.890 1.00 126.28 ? 64 GLU C CA 1 ATOM 13213 C C . GLU C 3 61 ? -13.456 -34.300 92.165 1.00 124.98 ? 64 GLU C C 1 ATOM 13214 O O . GLU C 3 61 ? -12.787 -33.840 93.093 1.00 129.43 ? 64 GLU C O 1 ATOM 13215 C CB . GLU C 3 61 ? -12.919 -36.362 90.828 1.00 135.57 ? 64 GLU C CB 1 ATOM 13216 C CG . GLU C 3 61 ? -14.205 -36.875 90.200 1.00 138.28 ? 64 GLU C CG 1 ATOM 13217 C CD . GLU C 3 61 ? -14.243 -36.678 88.696 1.00 138.00 ? 64 GLU C CD 1 ATOM 13218 O OE1 . GLU C 3 61 ? -13.178 -36.408 88.100 1.00 138.65 ? 64 GLU C OE1 1 ATOM 13219 O OE2 . GLU C 3 61 ? -15.338 -36.795 88.109 1.00 137.74 ? 64 GLU C OE2 1 ATOM 13220 N N . LYS C 3 62 ? -14.785 -34.359 92.201 1.00 120.17 ? 65 LYS C N 1 ATOM 13221 C CA . LYS C 3 62 ? -15.555 -33.923 93.364 1.00 115.11 ? 65 LYS C CA 1 ATOM 13222 C C . LYS C 3 62 ? -15.536 -35.032 94.411 1.00 119.21 ? 65 LYS C C 1 ATOM 13223 O O . LYS C 3 62 ? -16.236 -36.038 94.281 1.00 123.56 ? 65 LYS C O 1 ATOM 13224 C CB . LYS C 3 62 ? -16.980 -33.573 92.954 1.00 107.92 ? 65 LYS C CB 1 ATOM 13225 C CG . LYS C 3 62 ? -17.911 -33.245 94.107 1.00 104.23 ? 65 LYS C CG 1 ATOM 13226 C CD . LYS C 3 62 ? -17.723 -31.818 94.589 1.00 97.61 ? 65 LYS C CD 1 ATOM 13227 C CE . LYS C 3 62 ? -18.792 -31.443 95.605 1.00 96.57 ? 65 LYS C CE 1 ATOM 13228 N NZ . LYS C 3 62 ? -20.172 -31.690 95.096 1.00 93.12 ? 65 LYS C NZ 1 ATOM 13229 N N . GLN C 3 63 ? -14.727 -34.851 95.454 1.00 116.72 ? 66 GLN C N 1 ATOM 13230 C CA . GLN C 3 63 ? -14.656 -35.776 96.581 1.00 120.32 ? 66 GLN C CA 1 ATOM 13231 C C . GLN C 3 63 ? -15.247 -35.096 97.807 1.00 119.61 ? 66 GLN C C 1 ATOM 13232 O O . GLN C 3 63 ? -14.737 -34.061 98.247 1.00 116.85 ? 66 GLN C O 1 ATOM 13233 C CB . GLN C 3 63 ? -13.214 -36.208 96.849 1.00 124.83 ? 66 GLN C CB 1 ATOM 13234 C CG . GLN C 3 63 ? -12.619 -37.076 95.760 1.00 127.35 ? 66 GLN C CG 1 ATOM 13235 C CD . GLN C 3 63 ? -13.394 -38.363 95.563 1.00 131.73 ? 66 GLN C CD 1 ATOM 13236 O OE1 . GLN C 3 63 ? -14.119 -38.519 94.581 1.00 131.37 ? 66 GLN C OE1 1 ATOM 13237 N NE2 . GLN C 3 63 ? -13.246 -39.294 96.500 1.00 135.63 ? 66 GLN C NE2 1 ATOM 13238 N N . ASP C 3 64 ? -16.312 -35.674 98.350 1.00 121.96 ? 67 ASP C N 1 ATOM 13239 C CA . ASP C 3 64 ? -17.041 -35.106 99.501 1.00 121.04 ? 67 ASP C CA 1 ATOM 13240 C C . ASP C 3 64 ? -17.495 -33.694 99.117 1.00 113.29 ? 67 ASP C C 1 ATOM 13241 O O . ASP C 3 64 ? -17.884 -33.459 97.962 1.00 106.68 ? 67 ASP C O 1 ATOM 13242 C CB . ASP C 3 64 ? -16.186 -35.187 100.747 1.00 124.67 ? 67 ASP C CB 1 ATOM 13243 C CG . ASP C 3 64 ? -16.157 -36.577 101.339 1.00 132.28 ? 67 ASP C CG 1 ATOM 13244 O OD1 . ASP C 3 64 ? -17.192 -37.270 101.265 1.00 134.32 ? 67 ASP C OD1 1 ATOM 13245 O OD2 . ASP C 3 64 ? -15.102 -36.978 101.875 1.00 137.87 ? 67 ASP C OD2 1 ATOM 13246 N N . ASN C 3 65 ? -17.470 -32.739 100.042 1.00 113.65 ? 68 ASN C N 1 ATOM 13247 C CA . ASN C 3 65 ? -17.869 -31.372 99.742 1.00 109.57 ? 68 ASN C CA 1 ATOM 13248 C C . ASN C 3 65 ? -16.726 -30.526 99.204 1.00 104.34 ? 68 ASN C C 1 ATOM 13249 O O . ASN C 3 65 ? -16.942 -29.353 98.890 1.00 102.24 ? 68 ASN C O 1 ATOM 13250 C CB . ASN C 3 65 ? -18.454 -30.700 100.989 1.00 114.13 ? 68 ASN C CB 1 ATOM 13251 C CG . ASN C 3 65 ? -19.934 -30.975 101.159 1.00 117.40 ? 68 ASN C CG 1 ATOM 13252 O OD1 . ASN C 3 65 ? -20.611 -31.399 100.222 1.00 118.44 ? 68 ASN C OD1 1 ATOM 13253 N ND2 . ASN C 3 65 ? -20.449 -30.720 102.356 1.00 118.48 ? 68 ASN C ND2 1 ATOM 13254 N N . THR C 3 66 ? -15.525 -31.081 99.090 1.00 104.88 ? 69 THR C N 1 ATOM 13255 C CA . THR C 3 66 ? -14.379 -30.331 98.600 1.00 103.68 ? 69 THR C CA 1 ATOM 13256 C C . THR C 3 66 ? -14.094 -30.666 97.137 1.00 102.57 ? 69 THR C C 1 ATOM 13257 O O . THR C 3 66 ? -14.623 -31.625 96.570 1.00 105.55 ? 69 THR C O 1 ATOM 13258 C CB . THR C 3 66 ? -13.143 -30.593 99.470 1.00 107.00 ? 69 THR C CB 1 ATOM 13259 O OG1 . THR C 3 66 ? -11.971 -30.150 98.776 1.00 108.48 ? 69 THR C OG1 1 ATOM 13260 C CG2 . THR C 3 66 ? -13.007 -32.065 99.800 1.00 109.90 ? 69 THR C CG2 1 ATOM 13261 N N . LEU C 3 67 ? -13.238 -29.844 96.525 1.00 98.76 ? 70 LEU C N 1 ATOM 13262 C CA . LEU C 3 67 ? -12.979 -29.877 95.091 1.00 98.35 ? 70 LEU C CA 1 ATOM 13263 C C . LEU C 3 67 ? -11.668 -29.167 94.764 1.00 100.10 ? 70 LEU C C 1 ATOM 13264 O O . LEU C 3 67 ? -11.516 -27.973 95.061 1.00 96.51 ? 70 LEU C O 1 ATOM 13265 C CB . LEU C 3 67 ? -14.140 -29.229 94.332 1.00 92.29 ? 70 LEU C CB 1 ATOM 13266 C CG . LEU C 3 67 ? -13.955 -28.922 92.844 1.00 87.05 ? 70 LEU C CG 1 ATOM 13267 C CD1 . LEU C 3 67 ? -13.716 -30.189 92.038 1.00 91.35 ? 70 LEU C CD1 1 ATOM 13268 C CD2 . LEU C 3 67 ? -15.166 -28.177 92.316 1.00 81.30 ? 70 LEU C CD2 1 ATOM 13269 N N . PRO C 3 68 ? -10.703 -29.862 94.157 1.00 110.08 ? 71 PRO C N 1 ATOM 13270 C CA . PRO C 3 68 ? -9.425 -29.217 93.824 1.00 79.85 ? 71 PRO C CA 1 ATOM 13271 C C . PRO C 3 68 ? -9.596 -28.248 92.665 1.00 93.38 ? 71 PRO C C 1 ATOM 13272 O O . PRO C 3 68 ? -10.215 -28.574 91.650 1.00 95.91 ? 71 PRO C O 1 ATOM 13273 C CB . PRO C 3 68 ? -8.517 -30.394 93.443 1.00 83.84 ? 71 PRO C CB 1 ATOM 13274 C CG . PRO C 3 68 ? -9.236 -31.627 93.913 1.00 87.37 ? 71 PRO C CG 1 ATOM 13275 C CD . PRO C 3 68 ? -10.690 -31.296 93.833 1.00 84.06 ? 71 PRO C CD 1 ATOM 13276 N N . VAL C 3 69 ? -9.038 -27.051 92.822 1.00 86.65 ? 72 VAL C N 1 ATOM 13277 C CA . VAL C 3 69 ? -9.177 -25.986 91.838 1.00 79.37 ? 72 VAL C CA 1 ATOM 13278 C C . VAL C 3 69 ? -7.800 -25.396 91.573 1.00 80.23 ? 72 VAL C C 1 ATOM 13279 O O . VAL C 3 69 ? -7.161 -24.868 92.489 1.00 81.07 ? 72 VAL C O 1 ATOM 13280 C CB . VAL C 3 69 ? -10.151 -24.892 92.306 1.00 76.28 ? 72 VAL C CB 1 ATOM 13281 C CG1 . VAL C 3 69 ? -10.149 -23.729 91.325 1.00 72.11 ? 72 VAL C CG1 1 ATOM 13282 C CG2 . VAL C 3 69 ? -11.555 -25.463 92.476 1.00 75.15 ? 72 VAL C CG2 1 ATOM 13283 N N . MET C 3 70 ? -7.350 -25.481 90.326 1.00 80.00 ? 73 MET C N 1 ATOM 13284 C CA . MET C 3 70 ? -6.094 -24.882 89.898 1.00 78.64 ? 73 MET C CA 1 ATOM 13285 C C . MET C 3 70 ? -6.351 -23.468 89.390 1.00 75.21 ? 73 MET C C 1 ATOM 13286 O O . MET C 3 70 ? -7.232 -23.251 88.550 1.00 73.54 ? 73 MET C O 1 ATOM 13287 C CB . MET C 3 70 ? -5.444 -25.742 88.814 1.00 81.77 ? 73 MET C CB 1 ATOM 13288 C CG . MET C 3 70 ? -4.283 -25.100 88.073 1.00 84.42 ? 73 MET C CG 1 ATOM 13289 S SD . MET C 3 70 ? -3.571 -26.262 86.886 1.00 90.28 ? 73 MET C SD 1 ATOM 13290 C CE . MET C 3 70 ? -2.561 -25.181 85.877 1.00 91.92 ? 73 MET C CE 1 ATOM 13291 N N . MET C 3 71 ? -5.589 -22.510 89.911 1.00 76.05 ? 74 MET C N 1 ATOM 13292 C CA . MET C 3 71 ? -5.732 -21.103 89.563 1.00 72.83 ? 74 MET C CA 1 ATOM 13293 C C . MET C 3 71 ? -4.504 -20.662 88.780 1.00 79.28 ? 74 MET C C 1 ATOM 13294 O O . MET C 3 71 ? -3.385 -20.697 89.303 1.00 86.37 ? 74 MET C O 1 ATOM 13295 C CB . MET C 3 71 ? -5.903 -20.238 90.813 1.00 67.22 ? 74 MET C CB 1 ATOM 13296 C CG . MET C 3 71 ? -7.129 -20.564 91.645 1.00 64.73 ? 74 MET C CG 1 ATOM 13297 S SD . MET C 3 71 ? -8.691 -20.122 90.856 1.00 63.38 ? 74 MET C SD 1 ATOM 13298 C CE . MET C 3 71 ? -8.510 -18.355 90.641 1.00 56.97 ? 74 MET C CE 1 ATOM 13299 N N . THR C 3 72 ? -4.714 -20.250 87.536 1.00 76.37 ? 75 THR C N 1 ATOM 13300 C CA . THR C 3 72 ? -3.657 -19.717 86.690 1.00 74.71 ? 75 THR C CA 1 ATOM 13301 C C . THR C 3 72 ? -3.805 -18.206 86.593 1.00 70.56 ? 75 THR C C 1 ATOM 13302 O O . THR C 3 72 ? -4.922 -17.684 86.550 1.00 71.03 ? 75 THR C O 1 ATOM 13303 C CB . THR C 3 72 ? -3.710 -20.333 85.291 1.00 74.76 ? 75 THR C CB 1 ATOM 13304 O OG1 . THR C 3 72 ? -4.808 -19.768 84.566 1.00 78.98 ? 75 THR C OG1 1 ATOM 13305 C CG2 . THR C 3 72 ? -3.903 -21.836 85.380 1.00 73.12 ? 75 THR C CG2 1 ATOM 13306 N N . PHE C 3 73 ? -2.678 -17.507 86.566 1.00 68.52 ? 76 PHE C N 1 ATOM 13307 C CA . PHE C 3 73 ? -2.681 -16.054 86.454 1.00 67.19 ? 76 PHE C CA 1 ATOM 13308 C C . PHE C 3 73 ? -1.322 -15.627 85.925 1.00 69.01 ? 76 PHE C C 1 ATOM 13309 O O . PHE C 3 73 ? -0.428 -16.453 85.727 1.00 69.05 ? 76 PHE C O 1 ATOM 13310 C CB . PHE C 3 73 ? -2.994 -15.387 87.796 1.00 69.36 ? 76 PHE C CB 1 ATOM 13311 C CG . PHE C 3 73 ? -1.990 -15.686 88.870 1.00 75.86 ? 76 PHE C CG 1 ATOM 13312 C CD1 . PHE C 3 73 ? -2.099 -16.836 89.633 1.00 81.27 ? 76 PHE C CD1 1 ATOM 13313 C CD2 . PHE C 3 73 ? -0.937 -14.819 89.119 1.00 80.33 ? 76 PHE C CD2 1 ATOM 13314 C CE1 . PHE C 3 73 ? -1.178 -17.119 90.622 1.00 89.20 ? 76 PHE C CE1 1 ATOM 13315 C CE2 . PHE C 3 73 ? -0.013 -15.095 90.107 1.00 88.30 ? 76 PHE C CE2 1 ATOM 13316 C CZ . PHE C 3 73 ? -0.133 -16.248 90.860 1.00 91.99 ? 76 PHE C CZ 1 ATOM 13317 N N . LYS C 3 74 ? -1.163 -14.323 85.712 1.00 71.38 ? 77 LYS C N 1 ATOM 13318 C CA . LYS C 3 74 ? 0.056 -13.786 85.126 1.00 75.38 ? 77 LYS C CA 1 ATOM 13319 C C . LYS C 3 74 ? 0.564 -12.611 85.949 1.00 73.72 ? 77 LYS C C 1 ATOM 13320 O O . LYS C 3 74 ? -0.202 -11.701 86.283 1.00 68.56 ? 77 LYS C O 1 ATOM 13321 C CB . LYS C 3 74 ? -0.175 -13.356 83.674 1.00 72.97 ? 77 LYS C CB 1 ATOM 13322 C CG . LYS C 3 74 ? 1.100 -12.988 82.941 1.00 78.73 ? 77 LYS C CG 1 ATOM 13323 C CD . LYS C 3 74 ? 0.832 -12.709 81.476 1.00 82.39 ? 77 LYS C CD 1 ATOM 13324 C CE . LYS C 3 74 ? -0.149 -11.567 81.315 1.00 86.72 ? 77 LYS C CE 1 ATOM 13325 N NZ . LYS C 3 74 ? -0.388 -11.268 79.882 1.00 89.26 ? 77 LYS C NZ 1 ATOM 13326 N N . GLN C 3 75 ? 1.855 -12.640 86.271 1.00 77.86 ? 78 GLN C N 1 ATOM 13327 C CA . GLN C 3 75 ? 2.556 -11.544 86.932 1.00 83.29 ? 78 GLN C CA 1 ATOM 13328 C C . GLN C 3 75 ? 3.581 -11.000 85.944 1.00 85.40 ? 78 GLN C C 1 ATOM 13329 O O . GLN C 3 75 ? 4.537 -11.699 85.586 1.00 89.09 ? 78 GLN C O 1 ATOM 13330 C CB . GLN C 3 75 ? 3.225 -12.021 88.220 1.00 92.41 ? 78 GLN C CB 1 ATOM 13331 C CG . GLN C 3 75 ? 3.865 -10.915 89.041 1.00 102.09 ? 78 GLN C CG 1 ATOM 13332 C CD . GLN C 3 75 ? 2.844 -10.082 89.785 1.00 106.15 ? 78 GLN C CD 1 ATOM 13333 O OE1 . GLN C 3 75 ? 2.704 -8.884 89.540 1.00 109.30 ? 78 GLN C OE1 1 ATOM 13334 N NE2 . GLN C 3 75 ? 2.123 -10.713 90.706 1.00 105.99 ? 78 GLN C NE2 1 ATOM 13335 N N . GLY C 3 76 ? 3.379 -9.766 85.499 1.00 86.04 ? 79 GLY C N 1 ATOM 13336 C CA . GLY C 3 76 ? 4.237 -9.221 84.461 1.00 87.39 ? 79 GLY C CA 1 ATOM 13337 C C . GLY C 3 76 ? 4.094 -10.038 83.193 1.00 83.69 ? 79 GLY C C 1 ATOM 13338 O O . GLY C 3 76 ? 2.994 -10.195 82.651 1.00 75.34 ? 79 GLY C O 1 ATOM 13339 N N . THR C 3 77 ? 5.209 -10.583 82.711 1.00 93.80 ? 80 THR C N 1 ATOM 13340 C CA . THR C 3 77 ? 5.209 -11.472 81.556 1.00 97.80 ? 80 THR C CA 1 ATOM 13341 C C . THR C 3 77 ? 5.435 -12.927 81.946 1.00 100.65 ? 80 THR C C 1 ATOM 13342 O O . THR C 3 77 ? 5.731 -13.754 81.076 1.00 108.45 ? 80 THR C O 1 ATOM 13343 C CB . THR C 3 77 ? 6.270 -11.039 80.540 1.00 100.97 ? 80 THR C CB 1 ATOM 13344 O OG1 . THR C 3 77 ? 7.567 -11.076 81.149 1.00 105.61 ? 80 THR C OG1 1 ATOM 13345 C CG2 . THR C 3 77 ? 5.985 -9.632 80.036 1.00 102.08 ? 80 THR C CG2 1 ATOM 13346 N N . ASP C 3 78 ? 5.304 -13.260 83.226 1.00 93.29 ? 81 ASP C N 1 ATOM 13347 C CA . ASP C 3 78 ? 5.531 -14.612 83.714 1.00 87.78 ? 81 ASP C CA 1 ATOM 13348 C C . ASP C 3 78 ? 4.205 -15.225 84.137 1.00 81.42 ? 81 ASP C C 1 ATOM 13349 O O . ASP C 3 78 ? 3.457 -14.622 84.912 1.00 77.00 ? 81 ASP C O 1 ATOM 13350 C CB . ASP C 3 78 ? 6.514 -14.607 84.885 1.00 90.76 ? 81 ASP C CB 1 ATOM 13351 C CG . ASP C 3 78 ? 7.852 -14.001 84.515 1.00 95.11 ? 81 ASP C CG 1 ATOM 13352 O OD1 . ASP C 3 78 ? 8.280 -14.174 83.353 1.00 96.50 ? 81 ASP C OD1 1 ATOM 13353 O OD2 . ASP C 3 78 ? 8.475 -13.350 85.381 1.00 96.53 ? 81 ASP C OD2 1 ATOM 13354 N N . TRP C 3 79 ? 3.910 -16.414 83.622 1.00 80.66 ? 82 TRP C N 1 ATOM 13355 C CA . TRP C 3 79 ? 2.701 -17.125 84.008 1.00 78.49 ? 82 TRP C CA 1 ATOM 13356 C C . TRP C 3 79 ? 2.961 -17.955 85.257 1.00 82.26 ? 82 TRP C C 1 ATOM 13357 O O . TRP C 3 79 ? 4.028 -18.557 85.410 1.00 76.70 ? 82 TRP C O 1 ATOM 13358 C CB . TRP C 3 79 ? 2.205 -18.023 82.878 1.00 69.43 ? 82 TRP C CB 1 ATOM 13359 C CG . TRP C 3 79 ? 1.526 -17.283 81.770 1.00 66.56 ? 82 TRP C CG 1 ATOM 13360 C CD1 . TRP C 3 79 ? 2.099 -16.822 80.624 1.00 67.33 ? 82 TRP C CD1 1 ATOM 13361 C CD2 . TRP C 3 79 ? 0.139 -16.923 81.698 1.00 67.08 ? 82 TRP C CD2 1 ATOM 13362 N NE1 . TRP C 3 79 ? 1.159 -16.197 79.841 1.00 74.60 ? 82 TRP C NE1 1 ATOM 13363 C CE2 . TRP C 3 79 ? -0.053 -16.245 80.478 1.00 61.73 ? 82 TRP C CE2 1 ATOM 13364 C CE3 . TRP C 3 79 ? -0.958 -17.109 82.546 1.00 60.94 ? 82 TRP C CE3 1 ATOM 13365 C CZ2 . TRP C 3 79 ? -1.296 -15.751 80.084 1.00 58.69 ? 82 TRP C CZ2 1 ATOM 13366 C CZ3 . TRP C 3 79 ? -2.193 -16.618 82.153 1.00 68.19 ? 82 TRP C CZ3 1 ATOM 13367 C CH2 . TRP C 3 79 ? -2.351 -15.947 80.933 1.00 65.05 ? 82 TRP C CH2 1 ATOM 13368 N N . ALA C 3 80 ? 1.977 -17.975 86.151 1.00 81.06 ? 83 ALA C N 1 ATOM 13369 C CA . ALA C 3 80 ? 2.071 -18.712 87.400 1.00 82.39 ? 83 ALA C CA 1 ATOM 13370 C C . ALA C 3 80 ? 0.777 -19.475 87.631 1.00 82.49 ? 83 ALA C C 1 ATOM 13371 O O . ALA C 3 80 ? -0.289 -19.094 87.136 1.00 77.90 ? 83 ALA C O 1 ATOM 13372 C CB . ALA C 3 80 ? 2.351 -17.784 88.590 1.00 81.27 ? 83 ALA C CB 1 ATOM 13373 N N . SER C 3 81 ? 0.887 -20.558 88.394 1.00 87.18 ? 84 SER C N 1 ATOM 13374 C CA . SER C 3 81 ? -0.257 -21.391 88.731 1.00 88.41 ? 84 SER C CA 1 ATOM 13375 C C . SER C 3 81 ? -0.136 -21.840 90.177 1.00 88.45 ? 84 SER C C 1 ATOM 13376 O O . SER C 3 81 ? 0.926 -22.308 90.597 1.00 90.29 ? 84 SER C O 1 ATOM 13377 C CB . SER C 3 81 ? -0.347 -22.608 87.808 1.00 94.41 ? 84 SER C CB 1 ATOM 13378 O OG . SER C 3 81 ? -1.314 -23.521 88.290 1.00 99.12 ? 84 SER C OG 1 ATOM 13379 N N . THR C 3 82 ? -1.223 -21.694 90.931 1.00 87.65 ? 85 THR C N 1 ATOM 13380 C CA . THR C 3 82 ? -1.284 -22.117 92.322 1.00 92.35 ? 85 THR C CA 1 ATOM 13381 C C . THR C 3 82 ? -2.463 -23.059 92.512 1.00 91.66 ? 85 THR C C 1 ATOM 13382 O O . THR C 3 82 ? -3.544 -22.835 91.957 1.00 86.46 ? 85 THR C O 1 ATOM 13383 C CB . THR C 3 82 ? -1.415 -20.918 93.268 1.00 93.08 ? 85 THR C CB 1 ATOM 13384 O OG1 . THR C 3 82 ? -2.568 -20.148 92.910 1.00 93.80 ? 85 THR C OG1 1 ATOM 13385 C CG2 . THR C 3 82 ? -0.181 -20.036 93.183 1.00 91.86 ? 85 THR C CG2 1 ATOM 13386 N N . ASP C 3 83 ? -2.246 -24.114 93.295 1.00 94.98 ? 86 ASP C N 1 ATOM 13387 C CA . ASP C 3 83 ? -3.285 -25.092 93.588 1.00 93.90 ? 86 ASP C CA 1 ATOM 13388 C C . ASP C 3 83 ? -4.073 -24.679 94.821 1.00 92.91 ? 86 ASP C C 1 ATOM 13389 O O . ASP C 3 83 ? -3.505 -24.219 95.814 1.00 98.21 ? 86 ASP C O 1 ATOM 13390 C CB . ASP C 3 83 ? -2.683 -26.481 93.798 1.00 100.32 ? 86 ASP C CB 1 ATOM 13391 C CG . ASP C 3 83 ? -2.465 -27.220 92.498 1.00 105.18 ? 86 ASP C CG 1 ATOM 13392 O OD1 . ASP C 3 83 ? -2.252 -26.553 91.463 1.00 104.44 ? 86 ASP C OD1 1 ATOM 13393 O OD2 . ASP C 3 83 ? -2.513 -28.468 92.507 1.00 109.44 ? 86 ASP C OD2 1 ATOM 13394 N N . TRP C 3 84 ? -5.388 -24.849 94.749 1.00 88.10 ? 87 TRP C N 1 ATOM 13395 C CA . TRP C 3 84 ? -6.297 -24.491 95.824 1.00 86.46 ? 87 TRP C CA 1 ATOM 13396 C C . TRP C 3 84 ? -7.285 -25.628 96.040 1.00 84.06 ? 87 TRP C C 1 ATOM 13397 O O . TRP C 3 84 ? -7.438 -26.517 95.198 1.00 81.11 ? 87 TRP C O 1 ATOM 13398 C CB . TRP C 3 84 ? -7.062 -23.193 95.514 1.00 84.88 ? 87 TRP C CB 1 ATOM 13399 C CG . TRP C 3 84 ? -6.203 -21.961 95.436 1.00 87.16 ? 87 TRP C CG 1 ATOM 13400 C CD1 . TRP C 3 84 ? -5.332 -21.628 94.438 1.00 86.51 ? 87 TRP C CD1 1 ATOM 13401 C CD2 . TRP C 3 84 ? -6.152 -20.888 96.385 1.00 91.64 ? 87 TRP C CD2 1 ATOM 13402 N NE1 . TRP C 3 84 ? -4.734 -20.421 94.712 1.00 86.27 ? 87 TRP C NE1 1 ATOM 13403 C CE2 . TRP C 3 84 ? -5.221 -19.946 95.901 1.00 90.65 ? 87 TRP C CE2 1 ATOM 13404 C CE3 . TRP C 3 84 ? -6.798 -20.636 97.599 1.00 95.72 ? 87 TRP C CE3 1 ATOM 13405 C CZ2 . TRP C 3 84 ? -4.922 -18.772 96.589 1.00 95.62 ? 87 TRP C CZ2 1 ATOM 13406 C CZ3 . TRP C 3 84 ? -6.499 -19.469 98.281 1.00 98.03 ? 87 TRP C CZ3 1 ATOM 13407 C CH2 . TRP C 3 84 ? -5.570 -18.553 97.774 1.00 98.60 ? 87 TRP C CH2 1 ATOM 13408 N N . THR C 3 85 ? -7.959 -25.592 97.185 1.00 86.82 ? 88 THR C N 1 ATOM 13409 C CA . THR C 3 85 ? -9.036 -26.526 97.477 1.00 87.69 ? 88 THR C CA 1 ATOM 13410 C C . THR C 3 85 ? -10.269 -25.731 97.879 1.00 88.53 ? 88 THR C C 1 ATOM 13411 O O . THR C 3 85 ? -10.181 -24.822 98.712 1.00 90.61 ? 88 THR C O 1 ATOM 13412 C CB . THR C 3 85 ? -8.640 -27.509 98.583 1.00 91.14 ? 88 THR C CB 1 ATOM 13413 O OG1 . THR C 3 85 ? -8.306 -26.781 99.768 1.00 96.25 ? 88 THR C OG1 1 ATOM 13414 C CG2 . THR C 3 85 ? -7.434 -28.336 98.155 1.00 92.39 ? 88 THR C CG2 1 ATOM 13415 N N . PHE C 3 86 ? -11.407 -26.058 97.271 1.00 87.05 ? 89 PHE C N 1 ATOM 13416 C CA . PHE C 3 86 ? -12.669 -25.378 97.535 1.00 84.94 ? 89 PHE C CA 1 ATOM 13417 C C . PHE C 3 86 ? -13.556 -26.279 98.379 1.00 89.34 ? 89 PHE C C 1 ATOM 13418 O O . PHE C 3 86 ? -13.711 -27.465 98.073 1.00 92.88 ? 89 PHE C O 1 ATOM 13419 C CB . PHE C 3 86 ? -13.399 -25.017 96.239 1.00 81.69 ? 89 PHE C CB 1 ATOM 13420 C CG . PHE C 3 86 ? -12.775 -23.887 95.469 1.00 80.24 ? 89 PHE C CG 1 ATOM 13421 C CD1 . PHE C 3 86 ? -11.508 -23.422 95.777 1.00 83.40 ? 89 PHE C CD1 1 ATOM 13422 C CD2 . PHE C 3 86 ? -13.471 -23.282 94.437 1.00 76.31 ? 89 PHE C CD2 1 ATOM 13423 C CE1 . PHE C 3 86 ? -10.943 -22.385 95.062 1.00 81.64 ? 89 PHE C CE1 1 ATOM 13424 C CE2 . PHE C 3 86 ? -12.913 -22.245 93.721 1.00 75.89 ? 89 PHE C CE2 1 ATOM 13425 C CZ . PHE C 3 86 ? -11.647 -21.794 94.035 1.00 78.71 ? 89 PHE C CZ 1 ATOM 13426 N N . THR C 3 87 ? -14.138 -25.721 99.432 1.00 88.61 ? 90 THR C N 1 ATOM 13427 C CA . THR C 3 87 ? -15.102 -26.438 100.258 1.00 87.41 ? 90 THR C CA 1 ATOM 13428 C C . THR C 3 87 ? -16.466 -25.811 100.009 1.00 85.23 ? 90 THR C C 1 ATOM 13429 O O . THR C 3 87 ? -16.731 -24.690 100.454 1.00 86.30 ? 90 THR C O 1 ATOM 13430 C CB . THR C 3 87 ? -14.714 -26.382 101.732 1.00 88.34 ? 90 THR C CB 1 ATOM 13431 O OG1 . THR C 3 87 ? -13.393 -26.911 101.891 1.00 89.90 ? 90 THR C OG1 1 ATOM 13432 C CG2 . THR C 3 87 ? -15.681 -27.207 102.563 1.00 92.32 ? 90 THR C CG2 1 ATOM 13433 N N . LEU C 3 88 ? -17.322 -26.527 99.291 1.00 82.60 ? 91 LEU C N 1 ATOM 13434 C CA . LEU C 3 88 ? -18.597 -25.994 98.836 1.00 80.37 ? 91 LEU C CA 1 ATOM 13435 C C . LEU C 3 88 ? -19.706 -26.371 99.806 1.00 84.04 ? 91 LEU C C 1 ATOM 13436 O O . LEU C 3 88 ? -19.858 -27.544 100.160 1.00 89.64 ? 91 LEU C O 1 ATOM 13437 C CB . LEU C 3 88 ? -18.930 -26.501 97.434 1.00 76.93 ? 91 LEU C CB 1 ATOM 13438 C CG . LEU C 3 88 ? -18.143 -25.840 96.304 1.00 75.70 ? 91 LEU C CG 1 ATOM 13439 C CD1 . LEU C 3 88 ? -16.758 -26.445 96.173 1.00 78.61 ? 91 LEU C CD1 1 ATOM 13440 C CD2 . LEU C 3 88 ? -18.907 -25.962 95.005 1.00 76.33 ? 91 LEU C CD2 1 ATOM 13441 N N . ASP C 3 89 ? -20.477 -25.373 100.229 1.00 83.64 ? 92 ASP C N 1 ATOM 13442 C CA . ASP C 3 89 ? -21.649 -25.564 101.080 1.00 89.29 ? 92 ASP C CA 1 ATOM 13443 C C . ASP C 3 89 ? -22.772 -24.721 100.485 1.00 82.78 ? 92 ASP C C 1 ATOM 13444 O O . ASP C 3 89 ? -22.861 -23.519 100.752 1.00 80.12 ? 92 ASP C O 1 ATOM 13445 C CB . ASP C 3 89 ? -21.359 -25.175 102.526 1.00 92.23 ? 92 ASP C CB 1 ATOM 13446 C CG . ASP C 3 89 ? -22.585 -25.271 103.412 1.00 101.07 ? 92 ASP C CG 1 ATOM 13447 O OD1 . ASP C 3 89 ? -23.507 -26.042 103.070 1.00 104.55 ? 92 ASP C OD1 1 ATOM 13448 O OD2 . ASP C 3 89 ? -22.628 -24.578 104.451 1.00 103.62 ? 92 ASP C OD2 1 ATOM 13449 N N . GLY C 3 90 ? -23.620 -25.352 99.677 1.00 77.37 ? 93 GLY C N 1 ATOM 13450 C CA . GLY C 3 90 ? -24.704 -24.652 99.020 1.00 74.97 ? 93 GLY C CA 1 ATOM 13451 C C . GLY C 3 90 ? -24.199 -23.560 98.101 1.00 80.34 ? 93 GLY C C 1 ATOM 13452 O O . GLY C 3 90 ? -23.580 -23.844 97.072 1.00 82.22 ? 93 GLY C O 1 ATOM 13453 N N . ALA C 3 91 ? -24.446 -22.304 98.473 1.00 75.05 ? 94 ALA C N 1 ATOM 13454 C CA . ALA C 3 91 ? -23.948 -21.168 97.710 1.00 68.30 ? 94 ALA C CA 1 ATOM 13455 C C . ALA C 3 91 ? -22.595 -20.668 98.196 1.00 67.69 ? 94 ALA C C 1 ATOM 13456 O O . ALA C 3 91 ? -21.928 -19.925 97.466 1.00 64.91 ? 94 ALA C O 1 ATOM 13457 C CB . ALA C 3 91 ? -24.957 -20.016 97.757 1.00 67.09 ? 94 ALA C CB 1 ATOM 13458 N N . LYS C 3 92 ? -22.173 -21.054 99.397 1.00 70.88 ? 95 LYS C N 1 ATOM 13459 C CA . LYS C 3 92 ? -20.919 -20.585 99.968 1.00 73.59 ? 95 LYS C CA 1 ATOM 13460 C C . LYS C 3 92 ? -19.762 -21.478 99.539 1.00 76.25 ? 95 LYS C C 1 ATOM 13461 O O . LYS C 3 92 ? -19.919 -22.686 99.346 1.00 81.00 ? 95 LYS C O 1 ATOM 13462 C CB . LYS C 3 92 ? -21.005 -20.538 101.497 1.00 80.64 ? 95 LYS C CB 1 ATOM 13463 C CG . LYS C 3 92 ? -22.035 -19.548 102.023 1.00 81.73 ? 95 LYS C CG 1 ATOM 13464 C CD . LYS C 3 92 ? -22.007 -19.453 103.538 1.00 88.08 ? 95 LYS C CD 1 ATOM 13465 C CE . LYS C 3 92 ? -22.374 -20.781 104.179 1.00 94.28 ? 95 LYS C CE 1 ATOM 13466 N NZ . LYS C 3 92 ? -22.392 -20.705 105.667 1.00 97.40 ? 95 LYS C NZ 1 ATOM 13467 N N . VAL C 3 93 ? -18.593 -20.862 99.379 1.00 75.60 ? 96 VAL C N 1 ATOM 13468 C CA . VAL C 3 93 ? -17.368 -21.557 99.003 1.00 75.55 ? 96 VAL C CA 1 ATOM 13469 C C . VAL C 3 93 ? -16.254 -21.092 99.926 1.00 79.00 ? 96 VAL C C 1 ATOM 13470 O O . VAL C 3 93 ? -15.997 -19.889 100.038 1.00 76.91 ? 96 VAL C O 1 ATOM 13471 C CB . VAL C 3 93 ? -16.983 -21.300 97.534 1.00 66.43 ? 96 VAL C CB 1 ATOM 13472 C CG1 . VAL C 3 93 ? -15.599 -21.858 97.248 1.00 66.96 ? 96 VAL C CG1 1 ATOM 13473 C CG2 . VAL C 3 93 ? -18.000 -21.919 96.608 1.00 69.39 ? 96 VAL C CG2 1 ATOM 13474 N N . THR C 3 94 ? -15.596 -22.040 100.582 1.00 83.65 ? 97 THR C N 1 ATOM 13475 C CA . THR C 3 94 ? -14.438 -21.754 101.422 1.00 85.98 ? 97 THR C CA 1 ATOM 13476 C C . THR C 3 94 ? -13.198 -22.253 100.685 1.00 90.18 ? 97 THR C C 1 ATOM 13477 O O . THR C 3 94 ? -12.871 -23.443 100.732 1.00 93.31 ? 97 THR C O 1 ATOM 13478 C CB . THR C 3 94 ? -14.569 -22.405 102.794 1.00 85.22 ? 97 THR C CB 1 ATOM 13479 O OG1 . THR C 3 94 ? -15.823 -22.040 103.382 1.00 86.62 ? 97 THR C OG1 1 ATOM 13480 C CG2 . THR C 3 94 ? -13.446 -21.930 103.692 1.00 87.46 ? 97 THR C CG2 1 ATOM 13481 N N . ALA C 3 95 ? -12.519 -21.339 99.999 1.00 89.75 ? 98 ALA C N 1 ATOM 13482 C CA . ALA C 3 95 ? -11.295 -21.660 99.284 1.00 91.45 ? 98 ALA C CA 1 ATOM 13483 C C . ALA C 3 95 ? -10.103 -21.571 100.225 1.00 98.11 ? 98 ALA C C 1 ATOM 13484 O O . ALA C 3 95 ? -10.077 -20.751 101.144 1.00 100.79 ? 98 ALA C O 1 ATOM 13485 C CB . ALA C 3 95 ? -11.094 -20.711 98.102 1.00 88.01 ? 98 ALA C CB 1 ATOM 13486 N N . THR C 3 96 ? -9.110 -22.424 99.993 1.00 102.36 ? 99 THR C N 1 ATOM 13487 C CA . THR C 3 96 ? -7.934 -22.392 100.850 1.00 110.18 ? 99 THR C CA 1 ATOM 13488 C C . THR C 3 96 ? -6.734 -22.964 100.111 1.00 115.04 ? 99 THR C C 1 ATOM 13489 O O . THR C 3 96 ? -6.866 -23.855 99.265 1.00 116.04 ? 99 THR C O 1 ATOM 13490 C CB . THR C 3 96 ? -8.171 -23.153 102.165 1.00 114.68 ? 99 THR C CB 1 ATOM 13491 O OG1 . THR C 3 96 ? -6.927 -23.330 102.855 1.00 119.27 ? 99 THR C OG1 1 ATOM 13492 C CG2 . THR C 3 96 ? -8.806 -24.509 101.909 1.00 113.51 ? 99 THR C CG2 1 ATOM 13493 N N . LEU C 3 97 ? -5.563 -22.415 100.434 1.00 117.89 ? 100 LEU C N 1 ATOM 13494 C CA . LEU C 3 97 ? -4.279 -22.929 99.973 1.00 117.84 ? 100 LEU C CA 1 ATOM 13495 C C . LEU C 3 97 ? -3.318 -22.888 101.150 1.00 117.73 ? 100 LEU C C 1 ATOM 13496 O O . LEU C 3 97 ? -3.013 -21.807 101.664 1.00 118.63 ? 100 LEU C O 1 ATOM 13497 C CB . LEU C 3 97 ? -3.734 -22.114 98.794 1.00 117.92 ? 100 LEU C CB 1 ATOM 13498 C CG . LEU C 3 97 ? -2.224 -22.159 98.521 1.00 122.01 ? 100 LEU C CG 1 ATOM 13499 C CD1 . LEU C 3 97 ? -1.712 -23.582 98.306 1.00 126.61 ? 100 LEU C CD1 1 ATOM 13500 C CD2 . LEU C 3 97 ? -1.869 -21.274 97.333 1.00 116.02 ? 100 LEU C CD2 1 ATOM 13501 N N . GLY C 3 98 ? -2.852 -24.060 101.576 1.00 118.11 ? 101 GLY C N 1 ATOM 13502 C CA . GLY C 3 98 ? -1.976 -24.153 102.726 1.00 119.59 ? 101 GLY C CA 1 ATOM 13503 C C . GLY C 3 98 ? -2.602 -23.566 103.973 1.00 118.43 ? 101 GLY C C 1 ATOM 13504 O O . GLY C 3 98 ? -3.521 -24.154 104.550 1.00 119.75 ? 101 GLY C O 1 ATOM 13505 N N . GLN C 3 99 ? -2.119 -22.396 104.390 1.00 117.00 ? 102 GLN C N 1 ATOM 13506 C CA . GLN C 3 99 ? -2.671 -21.706 105.547 1.00 116.37 ? 102 GLN C CA 1 ATOM 13507 C C . GLN C 3 99 ? -3.602 -20.560 105.178 1.00 110.83 ? 102 GLN C C 1 ATOM 13508 O O . GLN C 3 99 ? -4.394 -20.133 106.026 1.00 108.26 ? 102 GLN C O 1 ATOM 13509 C CB . GLN C 3 99 ? -1.542 -21.168 106.434 1.00 121.14 ? 102 GLN C CB 1 ATOM 13510 C CG . GLN C 3 99 ? -0.692 -22.250 107.080 1.00 129.05 ? 102 GLN C CG 1 ATOM 13511 C CD . GLN C 3 99 ? 0.441 -21.679 107.910 1.00 137.37 ? 102 GLN C CD 1 ATOM 13512 O OE1 . GLN C 3 99 ? 0.792 -20.507 107.777 1.00 138.56 ? 102 GLN C OE1 1 ATOM 13513 N NE2 . GLN C 3 99 ? 1.017 -22.506 108.774 1.00 144.01 ? 102 GLN C NE2 1 ATOM 13514 N N . LEU C 3 100 ? -3.529 -20.059 103.945 1.00 107.99 ? 103 LEU C N 1 ATOM 13515 C CA . LEU C 3 100 ? -4.372 -18.949 103.518 1.00 106.89 ? 103 LEU C CA 1 ATOM 13516 C C . LEU C 3 100 ? -5.787 -19.433 103.232 1.00 107.09 ? 103 LEU C C 1 ATOM 13517 O O . LEU C 3 100 ? -5.984 -20.400 102.489 1.00 108.47 ? 103 LEU C O 1 ATOM 13518 C CB . LEU C 3 100 ? -3.790 -18.280 102.273 1.00 103.13 ? 103 LEU C CB 1 ATOM 13519 C CG . LEU C 3 100 ? -2.825 -17.121 102.521 1.00 103.93 ? 103 LEU C CG 1 ATOM 13520 C CD1 . LEU C 3 100 ? -2.403 -16.483 101.204 1.00 96.74 ? 103 LEU C CD1 1 ATOM 13521 C CD2 . LEU C 3 100 ? -3.458 -16.092 103.451 1.00 105.31 ? 103 LEU C CD2 1 ATOM 13522 N N . THR C 3 101 ? -6.770 -18.752 103.813 1.00 107.77 ? 104 THR C N 1 ATOM 13523 C CA . THR C 3 101 ? -8.173 -19.065 103.599 1.00 109.19 ? 104 THR C CA 1 ATOM 13524 C C . THR C 3 101 ? -8.898 -17.849 103.040 1.00 109.62 ? 104 THR C C 1 ATOM 13525 O O . THR C 3 101 ? -8.509 -16.703 103.290 1.00 112.42 ? 104 THR C O 1 ATOM 13526 C CB . THR C 3 101 ? -8.849 -19.513 104.894 1.00 113.83 ? 104 THR C CB 1 ATOM 13527 O OG1 . THR C 3 101 ? -8.745 -18.467 105.866 1.00 120.05 ? 104 THR C OG1 1 ATOM 13528 C CG2 . THR C 3 101 ? -8.185 -20.772 105.434 1.00 118.29 ? 104 THR C CG2 1 ATOM 13529 N N . GLN C 3 102 ? -9.962 -18.113 102.284 1.00 106.58 ? 105 GLN C N 1 ATOM 13530 C CA . GLN C 3 102 ? -10.750 -17.067 101.647 1.00 102.29 ? 105 GLN C CA 1 ATOM 13531 C C . GLN C 3 102 ? -12.199 -17.520 101.568 1.00 99.48 ? 105 GLN C C 1 ATOM 13532 O O . GLN C 3 102 ? -12.486 -18.599 101.037 1.00 100.47 ? 105 GLN C O 1 ATOM 13533 C CB . GLN C 3 102 ? -10.217 -16.748 100.248 1.00 102.15 ? 105 GLN C CB 1 ATOM 13534 C CG . GLN C 3 102 ? -10.916 -15.588 99.567 1.00 103.74 ? 105 GLN C CG 1 ATOM 13535 C CD . GLN C 3 102 ? -10.430 -15.382 98.151 1.00 103.51 ? 105 GLN C CD 1 ATOM 13536 O OE1 . GLN C 3 102 ? -10.650 -14.329 97.550 1.00 104.70 ? 105 GLN C OE1 1 ATOM 13537 N NE2 . GLN C 3 102 ? -9.765 -16.392 97.605 1.00 102.82 ? 105 GLN C NE2 1 ATOM 13538 N N . ASN C 3 103 ? -13.102 -16.695 102.094 1.00 98.06 ? 106 ASN C N 1 ATOM 13539 C CA . ASN C 3 103 ? -14.528 -16.992 102.121 1.00 93.98 ? 106 ASN C CA 1 ATOM 13540 C C . ASN C 3 103 ? -15.224 -16.266 100.979 1.00 90.74 ? 106 ASN C C 1 ATOM 13541 O O . ASN C 3 103 ? -15.036 -15.058 100.798 1.00 90.69 ? 106 ASN C O 1 ATOM 13542 C CB . ASN C 3 103 ? -15.150 -16.582 103.456 1.00 94.47 ? 106 ASN C CB 1 ATOM 13543 C CG . ASN C 3 103 ? -14.518 -17.290 104.637 1.00 98.39 ? 106 ASN C CG 1 ATOM 13544 O OD1 . ASN C 3 103 ? -14.085 -18.437 104.529 1.00 99.92 ? 106 ASN C OD1 1 ATOM 13545 N ND2 . ASN C 3 103 ? -14.462 -16.606 105.774 1.00 99.45 ? 106 ASN C ND2 1 ATOM 13546 N N . ARG C 3 104 ? -16.024 -17.004 100.215 1.00 86.62 ? 107 ARG C N 1 ATOM 13547 C CA . ARG C 3 104 ? -16.775 -16.458 99.098 1.00 78.86 ? 107 ARG C CA 1 ATOM 13548 C C . ARG C 3 104 ? -18.207 -16.967 99.152 1.00 77.57 ? 107 ARG C C 1 ATOM 13549 O O . ARG C 3 104 ? -18.501 -17.997 99.762 1.00 80.26 ? 107 ARG C O 1 ATOM 13550 C CB . ARG C 3 104 ? -16.150 -16.835 97.745 1.00 73.85 ? 107 ARG C CB 1 ATOM 13551 C CG . ARG C 3 104 ? -14.735 -16.336 97.543 1.00 73.89 ? 107 ARG C CG 1 ATOM 13552 C CD . ARG C 3 104 ? -14.398 -16.215 96.068 1.00 71.11 ? 107 ARG C CD 1 ATOM 13553 N NE . ARG C 3 104 ? -13.070 -15.643 95.883 1.00 61.39 ? 107 ARG C NE 1 ATOM 13554 C CZ . ARG C 3 104 ? -12.672 -15.032 94.777 1.00 67.82 ? 107 ARG C CZ 1 ATOM 13555 N NH1 . ARG C 3 104 ? -13.508 -14.908 93.755 1.00 65.47 ? 107 ARG C NH1 1 ATOM 13556 N NH2 . ARG C 3 104 ? -11.444 -14.537 94.696 1.00 70.99 ? 107 ARG C NH2 1 ATOM 13557 N N . GLU C 3 105 ? -19.100 -16.230 98.496 1.00 77.06 ? 108 GLU C N 1 ATOM 13558 C CA . GLU C 3 105 ? -20.485 -16.651 98.325 1.00 75.58 ? 108 GLU C CA 1 ATOM 13559 C C . GLU C 3 105 ? -20.956 -16.208 96.948 1.00 73.11 ? 108 GLU C C 1 ATOM 13560 O O . GLU C 3 105 ? -20.954 -15.011 96.643 1.00 73.69 ? 108 GLU C O 1 ATOM 13561 C CB . GLU C 3 105 ? -21.391 -16.072 99.415 1.00 75.10 ? 108 GLU C CB 1 ATOM 13562 C CG . GLU C 3 105 ? -22.856 -16.472 99.286 1.00 77.36 ? 108 GLU C CG 1 ATOM 13563 C CD . GLU C 3 105 ? -23.726 -15.835 100.354 1.00 88.45 ? 108 GLU C CD 1 ATOM 13564 O OE1 . GLU C 3 105 ? -23.175 -15.139 101.235 1.00 92.97 ? 108 GLU C OE1 1 ATOM 13565 O OE2 . GLU C 3 105 ? -24.960 -16.025 100.314 1.00 90.45 ? 108 GLU C OE2 1 ATOM 13566 N N . VAL C 3 106 ? -21.346 -17.172 96.120 1.00 69.17 ? 109 VAL C N 1 ATOM 13567 C CA . VAL C 3 106 ? -21.919 -16.868 94.815 1.00 65.12 ? 109 VAL C CA 1 ATOM 13568 C C . VAL C 3 106 ? -23.293 -16.252 95.047 1.00 67.40 ? 109 VAL C C 1 ATOM 13569 O O . VAL C 3 106 ? -24.219 -16.932 95.495 1.00 73.31 ? 109 VAL C O 1 ATOM 13570 C CB . VAL C 3 106 ? -22.011 -18.117 93.936 1.00 60.55 ? 109 VAL C CB 1 ATOM 13571 C CG1 . VAL C 3 106 ? -22.492 -17.744 92.549 1.00 53.54 ? 109 VAL C CG1 1 ATOM 13572 C CG2 . VAL C 3 106 ? -20.664 -18.825 93.878 1.00 55.94 ? 109 VAL C CG2 1 ATOM 13573 N N . VAL C 3 107 ? -23.426 -14.956 94.756 1.00 66.03 ? 110 VAL C N 1 ATOM 13574 C CA . VAL C 3 107 ? -24.684 -14.251 94.994 1.00 69.29 ? 110 VAL C CA 1 ATOM 13575 C C . VAL C 3 107 ? -25.559 -14.173 93.755 1.00 64.51 ? 110 VAL C C 1 ATOM 13576 O O . VAL C 3 107 ? -26.711 -13.725 93.849 1.00 63.66 ? 110 VAL C O 1 ATOM 13577 C CB . VAL C 3 107 ? -24.419 -12.828 95.527 1.00 61.81 ? 110 VAL C CB 1 ATOM 13578 C CG1 . VAL C 3 107 ? -23.659 -12.896 96.845 1.00 64.31 ? 110 VAL C CG1 1 ATOM 13579 C CG2 . VAL C 3 107 ? -23.647 -12.030 94.501 1.00 59.63 ? 110 VAL C CG2 1 ATOM 13580 N N . TYR C 3 108 ? -25.057 -14.589 92.599 1.00 55.40 ? 111 TYR C N 1 ATOM 13581 C CA . TYR C 3 108 ? -25.860 -14.589 91.388 1.00 60.25 ? 111 TYR C CA 1 ATOM 13582 C C . TYR C 3 108 ? -25.251 -15.576 90.409 1.00 61.01 ? 111 TYR C C 1 ATOM 13583 O O . TYR C 3 108 ? -24.027 -15.683 90.314 1.00 61.69 ? 111 TYR C O 1 ATOM 13584 C CB . TYR C 3 108 ? -25.934 -13.195 90.756 1.00 60.73 ? 111 TYR C CB 1 ATOM 13585 C CG . TYR C 3 108 ? -26.658 -13.176 89.434 1.00 62.15 ? 111 TYR C CG 1 ATOM 13586 C CD1 . TYR C 3 108 ? -28.039 -13.065 89.383 1.00 61.64 ? 111 TYR C CD1 1 ATOM 13587 C CD2 . TYR C 3 108 ? -25.962 -13.278 88.231 1.00 58.71 ? 111 TYR C CD2 1 ATOM 13588 C CE1 . TYR C 3 108 ? -28.710 -13.053 88.175 1.00 60.78 ? 111 TYR C CE1 1 ATOM 13589 C CE2 . TYR C 3 108 ? -26.625 -13.266 87.021 1.00 54.89 ? 111 TYR C CE2 1 ATOM 13590 C CZ . TYR C 3 108 ? -28.000 -13.153 86.999 1.00 58.24 ? 111 TYR C CZ 1 ATOM 13591 O OH . TYR C 3 108 ? -28.669 -13.138 85.797 1.00 63.41 ? 111 TYR C OH 1 ATOM 13592 N N . ASP C 3 109 ? -26.109 -16.288 89.684 1.00 62.45 ? 112 ASP C N 1 ATOM 13593 C CA . ASP C 3 109 ? -25.673 -17.266 88.696 1.00 60.01 ? 112 ASP C CA 1 ATOM 13594 C C . ASP C 3 109 ? -26.607 -17.199 87.498 1.00 59.03 ? 112 ASP C C 1 ATOM 13595 O O . ASP C 3 109 ? -27.829 -17.244 87.665 1.00 60.05 ? 112 ASP C O 1 ATOM 13596 C CB . ASP C 3 109 ? -25.659 -18.677 89.295 1.00 63.31 ? 112 ASP C CB 1 ATOM 13597 C CG . ASP C 3 109 ? -25.114 -19.713 88.336 1.00 65.20 ? 112 ASP C CG 1 ATOM 13598 O OD1 . ASP C 3 109 ? -24.342 -19.338 87.429 1.00 69.44 ? 112 ASP C OD1 1 ATOM 13599 O OD2 . ASP C 3 109 ? -25.453 -20.905 88.493 1.00 60.54 ? 112 ASP C OD2 1 ATOM 13600 N N . SER C 3 110 ? -26.037 -17.086 86.298 1.00 55.85 ? 113 SER C N 1 ATOM 13601 C CA . SER C 3 110 ? -26.857 -16.970 85.101 1.00 55.18 ? 113 SER C CA 1 ATOM 13602 C C . SER C 3 110 ? -27.694 -18.232 84.903 1.00 56.31 ? 113 SER C C 1 ATOM 13603 O O . SER C 3 110 ? -27.450 -19.274 85.513 1.00 48.67 ? 113 SER C O 1 ATOM 13604 C CB . SER C 3 110 ? -25.987 -16.708 83.872 1.00 54.46 ? 113 SER C CB 1 ATOM 13605 O OG . SER C 3 110 ? -25.161 -17.818 83.575 1.00 55.09 ? 113 SER C OG 1 ATOM 13606 N N . GLN C 3 111 ? -28.702 -18.124 84.033 1.00 61.61 ? 114 GLN C N 1 ATOM 13607 C CA . GLN C 3 111 ? -29.645 -19.224 83.848 1.00 66.52 ? 114 GLN C CA 1 ATOM 13608 C C . GLN C 3 111 ? -28.967 -20.463 83.281 1.00 63.76 ? 114 GLN C C 1 ATOM 13609 O O . GLN C 3 111 ? -29.362 -21.590 83.599 1.00 65.86 ? 114 GLN C O 1 ATOM 13610 C CB . GLN C 3 111 ? -30.789 -18.788 82.934 1.00 79.22 ? 114 GLN C CB 1 ATOM 13611 C CG . GLN C 3 111 ? -31.948 -19.771 82.884 1.00 94.25 ? 114 GLN C CG 1 ATOM 13612 C CD . GLN C 3 111 ? -33.045 -19.330 81.936 1.00 104.61 ? 114 GLN C CD 1 ATOM 13613 O OE1 . GLN C 3 111 ? -32.842 -18.448 81.103 1.00 108.85 ? 114 GLN C OE1 1 ATOM 13614 N NE2 . GLN C 3 111 ? -34.217 -19.942 82.061 1.00 109.97 ? 114 GLN C NE2 1 ATOM 13615 N N . SER C 3 112 ? -27.949 -20.282 82.448 1.00 60.51 ? 115 SER C N 1 ATOM 13616 C CA . SER C 3 112 ? -27.242 -21.400 81.845 1.00 60.01 ? 115 SER C CA 1 ATOM 13617 C C . SER C 3 112 ? -25.899 -21.670 82.508 1.00 60.30 ? 115 SER C C 1 ATOM 13618 O O . SER C 3 112 ? -25.108 -22.461 81.982 1.00 63.10 ? 115 SER C O 1 ATOM 13619 C CB . SER C 3 112 ? -27.054 -21.151 80.347 1.00 58.39 ? 115 SER C CB 1 ATOM 13620 O OG . SER C 3 112 ? -28.307 -20.965 79.707 1.00 58.76 ? 115 SER C OG 1 ATOM 13621 N N . HIS C 3 113 ? -25.630 -21.038 83.653 1.00 57.76 ? 116 HIS C N 1 ATOM 13622 C CA . HIS C 3 113 ? -24.369 -21.207 84.380 1.00 56.66 ? 116 HIS C CA 1 ATOM 13623 C C . HIS C 3 113 ? -23.172 -20.799 83.520 1.00 56.68 ? 116 HIS C C 1 ATOM 13624 O O . HIS C 3 113 ? -22.101 -21.409 83.577 1.00 55.20 ? 116 HIS C O 1 ATOM 13625 C CB . HIS C 3 113 ? -24.213 -22.642 84.895 1.00 54.12 ? 116 HIS C CB 1 ATOM 13626 C CG . HIS C 3 113 ? -25.467 -23.217 85.480 1.00 57.64 ? 116 HIS C CG 1 ATOM 13627 N ND1 . HIS C 3 113 ? -26.020 -22.759 86.657 1.00 61.35 ? 116 HIS C ND1 1 ATOM 13628 C CD2 . HIS C 3 113 ? -26.277 -24.215 85.050 1.00 60.46 ? 116 HIS C CD2 1 ATOM 13629 C CE1 . HIS C 3 113 ? -27.115 -23.447 86.925 1.00 64.66 ? 116 HIS C CE1 1 ATOM 13630 N NE2 . HIS C 3 113 ? -27.294 -24.337 85.966 1.00 63.14 ? 116 HIS C NE2 1 ATOM 13631 N N . HIS C 3 114 ? -23.357 -19.760 82.705 1.00 55.09 ? 117 HIS C N 1 ATOM 13632 C CA . HIS C 3 114 ? -22.265 -19.231 81.899 1.00 52.79 ? 117 HIS C CA 1 ATOM 13633 C C . HIS C 3 114 ? -21.471 -18.164 82.635 1.00 53.31 ? 117 HIS C C 1 ATOM 13634 O O . HIS C 3 114 ? -20.291 -17.958 82.329 1.00 54.35 ? 117 HIS C O 1 ATOM 13635 C CB . HIS C 3 114 ? -22.797 -18.651 80.587 1.00 52.67 ? 117 HIS C CB 1 ATOM 13636 C CG . HIS C 3 114 ? -23.364 -19.674 79.654 1.00 52.32 ? 117 HIS C CG 1 ATOM 13637 N ND1 . HIS C 3 114 ? -23.949 -19.334 78.453 1.00 49.38 ? 117 HIS C ND1 1 ATOM 13638 C CD2 . HIS C 3 114 ? -23.437 -21.023 79.741 1.00 53.64 ? 117 HIS C CD2 1 ATOM 13639 C CE1 . HIS C 3 114 ? -24.359 -20.430 77.840 1.00 52.64 ? 117 HIS C CE1 1 ATOM 13640 N NE2 . HIS C 3 114 ? -24.060 -21.469 78.600 1.00 57.14 ? 117 HIS C NE2 1 ATOM 13641 N N . CYS C 3 115 ? -22.090 -17.480 83.592 1.00 50.03 ? 118 CYS C N 1 ATOM 13642 C CA . CYS C 3 115 ? -21.390 -16.488 84.390 1.00 51.13 ? 118 CYS C CA 1 ATOM 13643 C C . CYS C 3 115 ? -22.049 -16.404 85.757 1.00 53.46 ? 118 CYS C C 1 ATOM 13644 O O . CYS C 3 115 ? -23.223 -16.742 85.924 1.00 51.87 ? 118 CYS C O 1 ATOM 13645 C CB . CYS C 3 115 ? -21.391 -15.118 83.706 1.00 54.73 ? 118 CYS C CB 1 ATOM 13646 S SG . CYS C 3 115 ? -23.042 -14.480 83.357 1.00 62.39 ? 118 CYS C SG 1 ATOM 13647 N N . HIS C 3 116 ? -21.278 -15.938 86.737 1.00 53.25 ? 119 HIS C N 1 ATOM 13648 C CA . HIS C 3 116 ? -21.784 -15.785 88.092 1.00 53.35 ? 119 HIS C CA 1 ATOM 13649 C C . HIS C 3 116 ? -21.052 -14.636 88.772 1.00 55.41 ? 119 HIS C C 1 ATOM 13650 O O . HIS C 3 116 ? -19.967 -14.226 88.350 1.00 56.38 ? 119 HIS C O 1 ATOM 13651 C CB . HIS C 3 116 ? -21.638 -17.086 88.895 1.00 50.11 ? 119 HIS C CB 1 ATOM 13652 C CG . HIS C 3 116 ? -20.238 -17.608 88.956 1.00 49.72 ? 119 HIS C CG 1 ATOM 13653 N ND1 . HIS C 3 116 ? -19.392 -17.350 90.013 1.00 52.79 ? 119 HIS C ND1 1 ATOM 13654 C CD2 . HIS C 3 116 ? -19.536 -18.378 88.091 1.00 46.47 ? 119 HIS C CD2 1 ATOM 13655 C CE1 . HIS C 3 116 ? -18.228 -17.936 89.797 1.00 52.91 ? 119 HIS C CE1 1 ATOM 13656 N NE2 . HIS C 3 116 ? -18.289 -18.566 88.637 1.00 50.72 ? 119 HIS C NE2 1 ATOM 13657 N N . VAL C 3 117 ? -21.664 -14.116 89.832 1.00 54.64 ? 120 VAL C N 1 ATOM 13658 C CA . VAL C 3 117 ? -21.117 -12.998 90.593 1.00 57.99 ? 120 VAL C CA 1 ATOM 13659 C C . VAL C 3 117 ? -20.788 -13.494 91.995 1.00 62.06 ? 120 VAL C C 1 ATOM 13660 O O . VAL C 3 117 ? -21.676 -13.944 92.727 1.00 64.03 ? 120 VAL C O 1 ATOM 13661 C CB . VAL C 3 117 ? -22.092 -11.812 90.640 1.00 60.46 ? 120 VAL C CB 1 ATOM 13662 C CG1 . VAL C 3 117 ? -21.472 -10.646 91.388 1.00 64.74 ? 120 VAL C CG1 1 ATOM 13663 C CG2 . VAL C 3 117 ? -22.478 -11.396 89.231 1.00 57.13 ? 120 VAL C CG2 1 ATOM 13664 N N . ASP C 3 118 ? -19.514 -13.416 92.363 1.00 61.49 ? 121 ASP C N 1 ATOM 13665 C CA . ASP C 3 118 ? -19.036 -13.819 93.674 1.00 60.92 ? 121 ASP C CA 1 ATOM 13666 C C . ASP C 3 118 ? -18.945 -12.621 94.611 1.00 61.29 ? 121 ASP C C 1 ATOM 13667 O O . ASP C 3 118 ? -18.723 -11.484 94.184 1.00 57.50 ? 121 ASP C O 1 ATOM 13668 C CB . ASP C 3 118 ? -17.665 -14.489 93.573 1.00 66.46 ? 121 ASP C CB 1 ATOM 13669 C CG . ASP C 3 118 ? -17.755 -15.930 93.137 1.00 73.90 ? 121 ASP C CG 1 ATOM 13670 O OD1 . ASP C 3 118 ? -18.826 -16.336 92.640 1.00 77.01 ? 121 ASP C OD1 1 ATOM 13671 O OD2 . ASP C 3 118 ? -16.751 -16.657 93.291 1.00 78.60 ? 121 ASP C OD2 1 ATOM 13672 N N . LYS C 3 119 ? -19.114 -12.899 95.901 1.00 66.09 ? 122 LYS C N 1 ATOM 13673 C CA . LYS C 3 119 ? -18.922 -11.927 96.970 1.00 70.54 ? 122 LYS C CA 1 ATOM 13674 C C . LYS C 3 119 ? -17.876 -12.492 97.922 1.00 74.28 ? 122 LYS C C 1 ATOM 13675 O O . LYS C 3 119 ? -18.114 -13.513 98.575 1.00 77.52 ? 122 LYS C O 1 ATOM 13676 C CB . LYS C 3 119 ? -20.239 -11.646 97.694 1.00 73.66 ? 122 LYS C CB 1 ATOM 13677 C CG . LYS C 3 119 ? -20.116 -10.736 98.909 1.00 76.77 ? 122 LYS C CG 1 ATOM 13678 C CD . LYS C 3 119 ? -21.474 -10.514 99.556 1.00 77.97 ? 122 LYS C CD 1 ATOM 13679 C CE . LYS C 3 119 ? -21.394 -9.511 100.688 1.00 76.89 ? 122 LYS C CE 1 ATOM 13680 N NZ . LYS C 3 119 ? -22.734 -9.265 101.286 1.00 80.18 ? 122 LYS C NZ 1 ATOM 13681 N N . VAL C 3 120 ? -16.716 -11.843 97.991 1.00 77.05 ? 123 VAL C N 1 ATOM 13682 C CA . VAL C 3 120 ? -15.641 -12.260 98.885 1.00 82.74 ? 123 VAL C CA 1 ATOM 13683 C C . VAL C 3 120 ? -15.732 -11.446 100.168 1.00 88.46 ? 123 VAL C C 1 ATOM 13684 O O . VAL C 3 120 ? -15.981 -10.233 100.136 1.00 89.97 ? 123 VAL C O 1 ATOM 13685 C CB . VAL C 3 120 ? -14.262 -12.113 98.212 1.00 84.87 ? 123 VAL C CB 1 ATOM 13686 C CG1 . VAL C 3 120 ? -14.056 -10.701 97.702 1.00 84.86 ? 123 VAL C CG1 1 ATOM 13687 C CG2 . VAL C 3 120 ? -13.146 -12.515 99.173 1.00 89.71 ? 123 VAL C CG2 1 ATOM 13688 N N . GLU C 3 121 ? -15.543 -12.116 101.303 1.00 91.76 ? 124 GLU C N 1 ATOM 13689 C CA . GLU C 3 121 ? -15.771 -11.515 102.609 1.00 93.51 ? 124 GLU C CA 1 ATOM 13690 C C . GLU C 3 121 ? -14.475 -10.951 103.176 1.00 89.23 ? 124 GLU C C 1 ATOM 13691 O O . GLU C 3 121 ? -13.443 -11.629 103.177 1.00 84.16 ? 124 GLU C O 1 ATOM 13692 C CB . GLU C 3 121 ? -16.364 -12.544 103.571 1.00 100.96 ? 124 GLU C CB 1 ATOM 13693 C CG . GLU C 3 121 ? -17.691 -13.125 103.113 1.00 104.79 ? 124 GLU C CG 1 ATOM 13694 C CD . GLU C 3 121 ? -18.802 -12.092 103.076 1.00 110.80 ? 124 GLU C CD 1 ATOM 13695 O OE1 . GLU C 3 121 ? -18.804 -11.184 103.935 1.00 114.65 ? 124 GLU C OE1 1 ATOM 13696 O OE2 . GLU C 3 121 ? -19.673 -12.189 102.185 1.00 110.23 ? 124 GLU C OE2 1 ATOM 13697 N N . LYS C 3 122 ? -14.539 -9.714 103.650 1.00 92.71 ? 125 LYS C N 1 ATOM 13698 C CA . LYS C 3 122 ? -13.445 -9.035 104.344 1.00 97.81 ? 125 LYS C CA 1 ATOM 13699 C C . LYS C 3 122 ? -14.016 -7.749 104.931 1.00 100.73 ? 125 LYS C C 1 ATOM 13700 O O . LYS C 3 122 ? -15.238 -7.564 104.976 1.00 101.68 ? 125 LYS C O 1 ATOM 13701 C CB . LYS C 3 122 ? -12.256 -8.780 103.413 1.00 97.05 ? 125 LYS C CB 1 ATOM 13702 C CG . LYS C 3 122 ? -12.630 -8.352 102.007 1.00 93.78 ? 125 LYS C CG 1 ATOM 13703 C CD . LYS C 3 122 ? -11.450 -8.507 101.065 1.00 90.60 ? 125 LYS C CD 1 ATOM 13704 C CE . LYS C 3 122 ? -11.889 -8.381 99.624 1.00 87.29 ? 125 LYS C CE 1 ATOM 13705 N NZ . LYS C 3 122 ? -10.754 -8.579 98.680 1.00 88.80 ? 125 LYS C NZ 1 ATOM 13706 N N . GLU C 3 123 ? -13.132 -6.859 105.390 1.00 105.89 ? 126 GLU C N 1 ATOM 13707 C CA . GLU C 3 123 ? -13.591 -5.592 105.955 1.00 112.58 ? 126 GLU C CA 1 ATOM 13708 C C . GLU C 3 123 ? -14.323 -4.761 104.908 1.00 109.65 ? 126 GLU C C 1 ATOM 13709 O O . GLU C 3 123 ? -15.386 -4.192 105.186 1.00 111.00 ? 126 GLU C O 1 ATOM 13710 C CB . GLU C 3 123 ? -12.407 -4.813 106.532 1.00 120.35 ? 126 GLU C CB 1 ATOM 13711 C CG . GLU C 3 123 ? -12.791 -3.745 107.549 1.00 128.31 ? 126 GLU C CG 1 ATOM 13712 C CD . GLU C 3 123 ? -13.219 -4.334 108.881 1.00 134.00 ? 126 GLU C CD 1 ATOM 13713 O OE1 . GLU C 3 123 ? -12.933 -5.525 109.125 1.00 134.28 ? 126 GLU C OE1 1 ATOM 13714 O OE2 . GLU C 3 123 ? -13.842 -3.607 109.685 1.00 138.29 ? 126 GLU C OE2 1 ATOM 13715 N N . VAL C 3 124 ? -13.768 -4.679 103.703 1.00 104.00 ? 127 VAL C N 1 ATOM 13716 C CA . VAL C 3 124 ? -14.447 -4.071 102.562 1.00 99.10 ? 127 VAL C CA 1 ATOM 13717 C C . VAL C 3 124 ? -14.735 -5.173 101.548 1.00 93.11 ? 127 VAL C C 1 ATOM 13718 O O . VAL C 3 124 ? -13.883 -5.477 100.700 1.00 88.81 ? 127 VAL C O 1 ATOM 13719 C CB . VAL C 3 124 ? -13.616 -2.932 101.950 1.00 100.25 ? 127 VAL C CB 1 ATOM 13720 C CG1 . VAL C 3 124 ? -13.880 -1.637 102.691 1.00 105.14 ? 127 VAL C CG1 1 ATOM 13721 C CG2 . VAL C 3 124 ? -12.131 -3.262 102.002 1.00 102.01 ? 127 VAL C CG2 1 ATOM 13722 N N . PRO C 3 125 ? -15.914 -5.794 101.597 1.00 91.34 ? 128 PRO C N 1 ATOM 13723 C CA . PRO C 3 125 ? -16.183 -6.958 100.735 1.00 87.97 ? 128 PRO C CA 1 ATOM 13724 C C . PRO C 3 125 ? -16.161 -6.589 99.262 1.00 87.65 ? 128 PRO C C 1 ATOM 13725 O O . PRO C 3 125 ? -16.881 -5.692 98.814 1.00 91.69 ? 128 PRO C O 1 ATOM 13726 C CB . PRO C 3 125 ? -17.577 -7.412 101.182 1.00 87.51 ? 128 PRO C CB 1 ATOM 13727 C CG . PRO C 3 125 ? -18.202 -6.182 101.773 1.00 90.16 ? 128 PRO C CG 1 ATOM 13728 C CD . PRO C 3 125 ? -17.075 -5.440 102.430 1.00 91.57 ? 128 PRO C CD 1 ATOM 13729 N N . ASP C 3 126 ? -15.330 -7.294 98.503 1.00 82.51 ? 129 ASP C N 1 ATOM 13730 C CA . ASP C 3 126 ? -15.246 -7.095 97.067 1.00 80.19 ? 129 ASP C CA 1 ATOM 13731 C C . ASP C 3 126 ? -16.220 -8.020 96.341 1.00 78.70 ? 129 ASP C C 1 ATOM 13732 O O . ASP C 3 126 ? -16.659 -9.045 96.871 1.00 78.66 ? 129 ASP C O 1 ATOM 13733 C CB . ASP C 3 126 ? -13.818 -7.331 96.569 1.00 77.97 ? 129 ASP C CB 1 ATOM 13734 C CG . ASP C 3 126 ? -12.871 -6.218 96.972 1.00 81.02 ? 129 ASP C CG 1 ATOM 13735 O OD1 . ASP C 3 126 ? -13.332 -5.068 97.120 1.00 86.84 ? 129 ASP C OD1 1 ATOM 13736 O OD2 . ASP C 3 126 ? -11.663 -6.491 97.136 1.00 79.86 ? 129 ASP C OD2 1 ATOM 13737 N N . TYR C 3 127 ? -16.564 -7.634 95.116 1.00 74.04 ? 130 TYR C N 1 ATOM 13738 C CA . TYR C 3 127 ? -17.460 -8.401 94.266 1.00 68.83 ? 130 TYR C CA 1 ATOM 13739 C C . TYR C 3 127 ? -16.764 -8.703 92.948 1.00 66.17 ? 130 TYR C C 1 ATOM 13740 O O . TYR C 3 127 ? -16.090 -7.838 92.377 1.00 66.09 ? 130 TYR C O 1 ATOM 13741 C CB . TYR C 3 127 ? -18.771 -7.646 94.022 1.00 67.48 ? 130 TYR C CB 1 ATOM 13742 C CG . TYR C 3 127 ? -19.530 -7.337 95.292 1.00 70.93 ? 130 TYR C CG 1 ATOM 13743 C CD1 . TYR C 3 127 ? -20.451 -8.238 95.812 1.00 67.95 ? 130 TYR C CD1 1 ATOM 13744 C CD2 . TYR C 3 127 ? -19.317 -6.149 95.982 1.00 78.72 ? 130 TYR C CD2 1 ATOM 13745 C CE1 . TYR C 3 127 ? -21.145 -7.963 96.977 1.00 72.12 ? 130 TYR C CE1 1 ATOM 13746 C CE2 . TYR C 3 127 ? -20.007 -5.865 97.151 1.00 81.27 ? 130 TYR C CE2 1 ATOM 13747 C CZ . TYR C 3 127 ? -20.920 -6.776 97.644 1.00 79.27 ? 130 TYR C CZ 1 ATOM 13748 O OH . TYR C 3 127 ? -21.610 -6.503 98.806 1.00 82.21 ? 130 TYR C OH 1 ATOM 13749 N N . GLU C 3 128 ? -16.921 -9.934 92.473 1.00 62.08 ? 131 GLU C N 1 ATOM 13750 C CA . GLU C 3 128 ? -16.240 -10.387 91.272 1.00 61.22 ? 131 GLU C CA 1 ATOM 13751 C C . GLU C 3 128 ? -17.245 -10.988 90.302 1.00 63.40 ? 131 GLU C C 1 ATOM 13752 O O . GLU C 3 128 ? -18.318 -11.451 90.690 1.00 65.23 ? 131 GLU C O 1 ATOM 13753 C CB . GLU C 3 128 ? -15.149 -11.411 91.602 1.00 60.37 ? 131 GLU C CB 1 ATOM 13754 C CG . GLU C 3 128 ? -13.973 -10.819 92.354 1.00 62.73 ? 131 GLU C CG 1 ATOM 13755 C CD . GLU C 3 128 ? -12.850 -11.811 92.545 1.00 63.17 ? 131 GLU C CD 1 ATOM 13756 O OE1 . GLU C 3 128 ? -13.123 -13.027 92.489 1.00 59.54 ? 131 GLU C OE1 1 ATOM 13757 O OE2 . GLU C 3 128 ? -11.695 -11.374 92.744 1.00 66.67 ? 131 GLU C OE2 1 ATOM 13758 N N . MET C 3 129 ? -16.892 -10.959 89.022 1.00 59.83 ? 132 MET C N 1 ATOM 13759 C CA . MET C 3 129 ? -17.688 -11.585 87.977 1.00 55.66 ? 132 MET C CA 1 ATOM 13760 C C . MET C 3 129 ? -16.826 -12.613 87.263 1.00 56.30 ? 132 MET C C 1 ATOM 13761 O O . MET C 3 129 ? -15.743 -12.284 86.767 1.00 61.51 ? 132 MET C O 1 ATOM 13762 C CB . MET C 3 129 ? -18.224 -10.552 86.987 1.00 55.04 ? 132 MET C CB 1 ATOM 13763 C CG . MET C 3 129 ? -18.964 -11.179 85.820 1.00 52.32 ? 132 MET C CG 1 ATOM 13764 S SD . MET C 3 129 ? -19.627 -9.953 84.687 1.00 57.66 ? 132 MET C SD 1 ATOM 13765 C CE . MET C 3 129 ? -20.056 -10.985 83.290 1.00 48.78 ? 132 MET C CE 1 ATOM 13766 N N . TRP C 3 130 ? -17.303 -13.853 87.219 1.00 52.54 ? 133 TRP C N 1 ATOM 13767 C CA . TRP C 3 130 ? -16.633 -14.930 86.508 1.00 50.18 ? 133 TRP C CA 1 ATOM 13768 C C . TRP C 3 130 ? -17.520 -15.416 85.369 1.00 49.98 ? 133 TRP C C 1 ATOM 13769 O O . TRP C 3 130 ? -18.750 -15.347 85.447 1.00 47.43 ? 133 TRP C O 1 ATOM 13770 C CB . TRP C 3 130 ? -16.299 -16.091 87.451 1.00 53.17 ? 133 TRP C CB 1 ATOM 13771 C CG . TRP C 3 130 ? -15.369 -15.711 88.557 1.00 57.10 ? 133 TRP C CG 1 ATOM 13772 C CD1 . TRP C 3 130 ? -15.688 -15.039 89.703 1.00 59.47 ? 133 TRP C CD1 1 ATOM 13773 C CD2 . TRP C 3 130 ? -13.963 -15.982 88.629 1.00 57.12 ? 133 TRP C CD2 1 ATOM 13774 N NE1 . TRP C 3 130 ? -14.568 -14.871 90.480 1.00 59.47 ? 133 TRP C NE1 1 ATOM 13775 C CE2 . TRP C 3 130 ? -13.496 -15.442 89.845 1.00 58.28 ? 133 TRP C CE2 1 ATOM 13776 C CE3 . TRP C 3 130 ? -13.054 -16.627 87.784 1.00 52.01 ? 133 TRP C CE3 1 ATOM 13777 C CZ2 . TRP C 3 130 ? -12.161 -15.528 90.236 1.00 57.34 ? 133 TRP C CZ2 1 ATOM 13778 C CZ3 . TRP C 3 130 ? -11.729 -16.710 88.175 1.00 51.89 ? 133 TRP C CZ3 1 ATOM 13779 C CH2 . TRP C 3 130 ? -11.296 -16.165 89.390 1.00 53.68 ? 133 TRP C CH2 1 ATOM 13780 N N . MET C 3 131 ? -16.886 -15.906 84.306 1.00 49.90 ? 134 MET C N 1 ATOM 13781 C CA . MET C 3 131 ? -17.622 -16.422 83.161 1.00 51.08 ? 134 MET C CA 1 ATOM 13782 C C . MET C 3 131 ? -16.816 -17.531 82.504 1.00 55.07 ? 134 MET C C 1 ATOM 13783 O O . MET C 3 131 ? -15.591 -17.597 82.635 1.00 61.36 ? 134 MET C O 1 ATOM 13784 C CB . MET C 3 131 ? -17.934 -15.318 82.147 1.00 48.84 ? 134 MET C CB 1 ATOM 13785 C CG . MET C 3 131 ? -16.706 -14.686 81.527 1.00 50.34 ? 134 MET C CG 1 ATOM 13786 S SD . MET C 3 131 ? -17.142 -13.439 80.304 1.00 59.36 ? 134 MET C SD 1 ATOM 13787 C CE . MET C 3 131 ? -18.083 -14.416 79.135 1.00 64.69 ? 134 MET C CE 1 ATOM 13788 N N . LEU C 3 132 ? -17.529 -18.407 81.794 1.00 51.49 ? 135 LEU C N 1 ATOM 13789 C CA . LEU C 3 132 ? -16.900 -19.521 81.092 1.00 50.51 ? 135 LEU C CA 1 ATOM 13790 C C . LEU C 3 132 ? -15.777 -19.037 80.186 1.00 49.04 ? 135 LEU C C 1 ATOM 13791 O O . LEU C 3 132 ? -15.966 -18.127 79.374 1.00 50.50 ? 135 LEU C O 1 ATOM 13792 C CB . LEU C 3 132 ? -17.940 -20.276 80.261 1.00 49.33 ? 135 LEU C CB 1 ATOM 13793 C CG . LEU C 3 132 ? -18.951 -21.136 81.012 1.00 48.33 ? 135 LEU C CG 1 ATOM 13794 C CD1 . LEU C 3 132 ? -20.005 -21.659 80.052 1.00 45.14 ? 135 LEU C CD1 1 ATOM 13795 C CD2 . LEU C 3 132 ? -18.245 -22.281 81.707 1.00 45.50 ? 135 LEU C CD2 1 ATOM 13796 N N . ASP C 3 133 ? -14.603 -19.653 80.336 1.00 48.09 ? 136 ASP C N 1 ATOM 13797 C CA . ASP C 3 133 ? -13.487 -19.344 79.450 1.00 47.12 ? 136 ASP C CA 1 ATOM 13798 C C . ASP C 3 133 ? -13.858 -19.592 77.995 1.00 51.04 ? 136 ASP C C 1 ATOM 13799 O O . ASP C 3 133 ? -13.423 -18.852 77.105 1.00 50.47 ? 136 ASP C O 1 ATOM 13800 C CB . ASP C 3 133 ? -12.267 -20.176 79.842 1.00 48.09 ? 136 ASP C CB 1 ATOM 13801 C CG . ASP C 3 133 ? -11.025 -19.796 79.064 1.00 52.52 ? 136 ASP C CG 1 ATOM 13802 O OD1 . ASP C 3 133 ? -10.849 -18.595 78.771 1.00 53.19 ? 136 ASP C OD1 1 ATOM 13803 O OD2 . ASP C 3 133 ? -10.222 -20.700 78.748 1.00 59.41 ? 136 ASP C OD2 1 ATOM 13804 N N . ALA C 3 134 ? -14.676 -20.617 77.741 1.00 49.71 ? 137 ALA C N 1 ATOM 13805 C CA . ALA C 3 134 ? -15.146 -20.921 76.400 1.00 47.46 ? 137 ALA C CA 1 ATOM 13806 C C . ALA C 3 134 ? -16.099 -19.867 75.855 1.00 51.49 ? 137 ALA C C 1 ATOM 13807 O O . ALA C 3 134 ? -16.367 -19.861 74.648 1.00 55.48 ? 137 ALA C O 1 ATOM 13808 C CB . ALA C 3 134 ? -15.830 -22.288 76.389 1.00 47.01 ? 137 ALA C CB 1 ATOM 13809 N N . GLY C 3 135 ? -16.605 -18.984 76.699 1.00 43.09 ? 138 GLY C N 1 ATOM 13810 C CA . GLY C 3 135 ? -17.576 -18.001 76.280 1.00 42.46 ? 138 GLY C CA 1 ATOM 13811 C C . GLY C 3 135 ? -18.949 -18.279 76.869 1.00 46.19 ? 138 GLY C C 1 ATOM 13812 O O . GLY C 3 135 ? -19.249 -19.376 77.350 1.00 46.64 ? 138 GLY C O 1 ATOM 13813 N N . GLY C 3 136 ? -19.793 -17.250 76.831 1.00 45.60 ? 139 GLY C N 1 ATOM 13814 C CA . GLY C 3 136 ? -21.135 -17.358 77.362 1.00 45.77 ? 139 GLY C CA 1 ATOM 13815 C C . GLY C 3 136 ? -22.124 -16.631 76.474 1.00 49.16 ? 139 GLY C C 1 ATOM 13816 O O . GLY C 3 136 ? -21.753 -15.825 75.615 1.00 48.95 ? 139 GLY C O 1 ATOM 13817 N N . LEU C 3 137 ? -23.399 -16.945 76.688 1.00 47.68 ? 140 LEU C N 1 ATOM 13818 C CA . LEU C 3 137 ? -24.465 -16.246 75.988 1.00 51.65 ? 140 LEU C CA 1 ATOM 13819 C C . LEU C 3 137 ? -24.449 -14.773 76.370 1.00 51.83 ? 140 LEU C C 1 ATOM 13820 O O . LEU C 3 137 ? -24.444 -14.428 77.553 1.00 53.98 ? 140 LEU C O 1 ATOM 13821 C CB . LEU C 3 137 ? -25.815 -16.870 76.327 1.00 56.16 ? 140 LEU C CB 1 ATOM 13822 C CG . LEU C 3 137 ? -27.001 -16.383 75.501 1.00 58.22 ? 140 LEU C CG 1 ATOM 13823 C CD1 . LEU C 3 137 ? -26.784 -16.715 74.036 1.00 47.81 ? 140 LEU C CD1 1 ATOM 13824 C CD2 . LEU C 3 137 ? -28.274 -17.017 76.017 1.00 59.47 ? 140 LEU C CD2 1 ATOM 13825 N N . GLU C 3 138 ? -24.443 -13.902 75.360 1.00 51.65 ? 141 GLU C N 1 ATOM 13826 C CA . GLU C 3 138 ? -24.150 -12.493 75.603 1.00 51.75 ? 141 GLU C CA 1 ATOM 13827 C C . GLU C 3 138 ? -25.189 -11.845 76.512 1.00 53.00 ? 141 GLU C C 1 ATOM 13828 O O . GLU C 3 138 ? -24.849 -10.991 77.338 1.00 59.17 ? 141 GLU C O 1 ATOM 13829 C CB . GLU C 3 138 ? -24.042 -11.750 74.273 1.00 52.56 ? 141 GLU C CB 1 ATOM 13830 C CG . GLU C 3 138 ? -23.871 -10.254 74.409 1.00 53.65 ? 141 GLU C CG 1 ATOM 13831 C CD . GLU C 3 138 ? -23.191 -9.631 73.210 1.00 56.46 ? 141 GLU C CD 1 ATOM 13832 O OE1 . GLU C 3 138 ? -22.132 -9.002 73.410 1.00 58.43 ? 141 GLU C OE1 1 ATOM 13833 O OE2 . GLU C 3 138 ? -23.701 -9.765 72.073 1.00 55.50 ? 141 GLU C OE2 1 ATOM 13834 N N . VAL C 3 139 ? -26.457 -12.242 76.392 1.00 50.16 ? 142 VAL C N 1 ATOM 13835 C CA . VAL C 3 139 ? -27.474 -11.649 77.255 1.00 55.40 ? 142 VAL C CA 1 ATOM 13836 C C . VAL C 3 139 ? -27.237 -12.042 78.711 1.00 60.92 ? 142 VAL C C 1 ATOM 13837 O O . VAL C 3 139 ? -27.383 -11.216 79.625 1.00 67.98 ? 142 VAL C O 1 ATOM 13838 C CB . VAL C 3 139 ? -28.884 -12.034 76.771 1.00 50.36 ? 142 VAL C CB 1 ATOM 13839 C CG1 . VAL C 3 139 ? -29.147 -11.424 75.414 1.00 52.03 ? 142 VAL C CG1 1 ATOM 13840 C CG2 . VAL C 3 139 ? -29.038 -13.532 76.697 1.00 53.61 ? 142 VAL C CG2 1 ATOM 13841 N N . GLU C 3 140 ? -26.838 -13.293 78.954 1.00 53.98 ? 143 GLU C N 1 ATOM 13842 C CA . GLU C 3 140 ? -26.576 -13.719 80.323 1.00 53.40 ? 143 GLU C CA 1 ATOM 13843 C C . GLU C 3 140 ? -25.327 -13.048 80.875 1.00 55.57 ? 143 GLU C C 1 ATOM 13844 O O . GLU C 3 140 ? -25.302 -12.623 82.038 1.00 59.36 ? 143 GLU C O 1 ATOM 13845 C CB . GLU C 3 140 ? -26.455 -15.241 80.385 1.00 48.02 ? 143 GLU C CB 1 ATOM 13846 C CG . GLU C 3 140 ? -27.730 -15.956 79.985 1.00 51.41 ? 143 GLU C CG 1 ATOM 13847 C CD . GLU C 3 140 ? -27.715 -17.424 80.350 1.00 57.10 ? 143 GLU C CD 1 ATOM 13848 O OE1 . GLU C 3 140 ? -26.748 -17.863 81.005 1.00 58.43 ? 143 GLU C OE1 1 ATOM 13849 O OE2 . GLU C 3 140 ? -28.672 -18.138 79.985 1.00 59.58 ? 143 GLU C OE2 1 ATOM 13850 N N . VAL C 3 141 ? -24.285 -12.933 80.052 1.00 54.02 ? 144 VAL C N 1 ATOM 13851 C CA . VAL C 3 141 ? -23.089 -12.215 80.474 1.00 55.75 ? 144 VAL C CA 1 ATOM 13852 C C . VAL C 3 141 ? -23.444 -10.784 80.857 1.00 59.93 ? 144 VAL C C 1 ATOM 13853 O O . VAL C 3 141 ? -22.981 -10.262 81.881 1.00 64.22 ? 144 VAL C O 1 ATOM 13854 C CB . VAL C 3 141 ? -22.025 -12.271 79.364 1.00 42.85 ? 144 VAL C CB 1 ATOM 13855 C CG1 . VAL C 3 141 ? -20.792 -11.494 79.768 1.00 42.81 ? 144 VAL C CG1 1 ATOM 13856 C CG2 . VAL C 3 141 ? -21.670 -13.716 79.068 1.00 41.95 ? 144 VAL C CG2 1 ATOM 13857 N N . GLU C 3 142 ? -24.308 -10.143 80.065 1.00 56.14 ? 145 GLU C N 1 ATOM 13858 C CA . GLU C 3 142 ? -24.727 -8.782 80.379 1.00 58.62 ? 145 GLU C CA 1 ATOM 13859 C C . GLU C 3 142 ? -25.529 -8.730 81.675 1.00 60.23 ? 145 GLU C C 1 ATOM 13860 O O . GLU C 3 142 ? -25.435 -7.752 82.425 1.00 60.83 ? 145 GLU C O 1 ATOM 13861 C CB . GLU C 3 142 ? -25.536 -8.206 79.216 1.00 58.39 ? 145 GLU C CB 1 ATOM 13862 C CG . GLU C 3 142 ? -25.272 -6.731 78.943 1.00 65.05 ? 145 GLU C CG 1 ATOM 13863 C CD . GLU C 3 142 ? -23.899 -6.489 78.348 1.00 63.61 ? 145 GLU C CD 1 ATOM 13864 O OE1 . GLU C 3 142 ? -23.305 -7.453 77.823 1.00 56.14 ? 145 GLU C OE1 1 ATOM 13865 O OE2 . GLU C 3 142 ? -23.412 -5.340 78.405 1.00 67.33 ? 145 GLU C OE2 1 ATOM 13866 N N . CYS C 3 143 ? -26.309 -9.775 81.962 1.00 59.00 ? 146 CYS C N 1 ATOM 13867 C CA . CYS C 3 143 ? -27.041 -9.826 83.225 1.00 60.81 ? 146 CYS C CA 1 ATOM 13868 C C . CYS C 3 143 ? -26.090 -9.915 84.418 1.00 61.82 ? 146 CYS C C 1 ATOM 13869 O O . CYS C 3 143 ? -26.237 -9.173 85.400 1.00 67.65 ? 146 CYS C O 1 ATOM 13870 C CB . CYS C 3 143 ? -28.018 -11.002 83.209 1.00 58.94 ? 146 CYS C CB 1 ATOM 13871 S SG . CYS C 3 143 ? -29.533 -10.679 82.272 1.00 62.32 ? 146 CYS C SG 1 ATOM 13872 N N . CYS C 3 144 ? -25.105 -10.818 84.352 1.00 55.64 ? 147 CYS C N 1 ATOM 13873 C CA . CYS C 3 144 ? -24.081 -10.859 85.393 1.00 56.17 ? 147 CYS C CA 1 ATOM 13874 C C . CYS C 3 144 ? -23.401 -9.504 85.549 1.00 60.24 ? 147 CYS C C 1 ATOM 13875 O O . CYS C 3 144 ? -23.121 -9.066 86.673 1.00 67.01 ? 147 CYS C O 1 ATOM 13876 C CB . CYS C 3 144 ? -23.046 -11.941 85.080 1.00 58.04 ? 147 CYS C CB 1 ATOM 13877 S SG . CYS C 3 144 ? -23.667 -13.639 85.123 1.00 63.09 ? 147 CYS C SG 1 ATOM 13878 N N . ARG C 3 145 ? -23.138 -8.820 84.431 1.00 56.68 ? 148 ARG C N 1 ATOM 13879 C CA . ARG C 3 145 ? -22.516 -7.501 84.499 1.00 53.14 ? 148 ARG C CA 1 ATOM 13880 C C . ARG C 3 145 ? -23.407 -6.501 85.228 1.00 55.03 ? 148 ARG C C 1 ATOM 13881 O O . ARG C 3 145 ? -22.918 -5.677 86.012 1.00 55.03 ? 148 ARG C O 1 ATOM 13882 C CB . ARG C 3 145 ? -22.194 -6.993 83.095 1.00 49.94 ? 148 ARG C CB 1 ATOM 13883 C CG . ARG C 3 145 ? -21.527 -5.629 83.094 1.00 51.93 ? 148 ARG C CG 1 ATOM 13884 C CD . ARG C 3 145 ? -21.773 -4.885 81.801 1.00 56.04 ? 148 ARG C CD 1 ATOM 13885 N NE . ARG C 3 145 ? -23.190 -4.831 81.456 1.00 58.03 ? 148 ARG C NE 1 ATOM 13886 C CZ . ARG C 3 145 ? -24.028 -3.901 81.894 1.00 67.35 ? 148 ARG C CZ 1 ATOM 13887 N NH1 . ARG C 3 145 ? -23.592 -2.947 82.703 1.00 75.27 ? 148 ARG C NH1 1 ATOM 13888 N NH2 . ARG C 3 145 ? -25.303 -3.925 81.528 1.00 69.62 ? 148 ARG C NH2 1 ATOM 13889 N N . GLN C 3 146 ? -24.717 -6.546 84.967 1.00 56.88 ? 149 GLN C N 1 ATOM 13890 C CA . GLN C 3 146 ? -25.640 -5.677 85.689 1.00 65.23 ? 149 GLN C CA 1 ATOM 13891 C C . GLN C 3 146 ? -25.609 -5.965 87.182 1.00 68.29 ? 149 GLN C C 1 ATOM 13892 O O . GLN C 3 146 ? -25.578 -5.035 88.000 1.00 69.76 ? 149 GLN C O 1 ATOM 13893 C CB . GLN C 3 146 ? -27.060 -5.845 85.154 1.00 72.27 ? 149 GLN C CB 1 ATOM 13894 C CG . GLN C 3 146 ? -27.419 -4.910 84.024 1.00 84.45 ? 149 GLN C CG 1 ATOM 13895 C CD . GLN C 3 146 ? -28.916 -4.764 83.864 1.00 96.78 ? 149 GLN C CD 1 ATOM 13896 O OE1 . GLN C 3 146 ? -29.691 -5.296 84.660 1.00 102.47 ? 149 GLN C OE1 1 ATOM 13897 N NE2 . GLN C 3 146 ? -29.333 -4.037 82.834 1.00 100.86 ? 149 GLN C NE2 1 ATOM 13898 N N . LYS C 3 147 ? -25.621 -7.250 87.556 1.00 62.78 ? 150 LYS C N 1 ATOM 13899 C CA . LYS C 3 147 ? -25.567 -7.605 88.970 1.00 62.90 ? 150 LYS C CA 1 ATOM 13900 C C . LYS C 3 147 ? -24.293 -7.082 89.620 1.00 62.06 ? 150 LYS C C 1 ATOM 13901 O O . LYS C 3 147 ? -24.336 -6.506 90.715 1.00 64.79 ? 150 LYS C O 1 ATOM 13902 C CB . LYS C 3 147 ? -25.671 -9.121 89.140 1.00 62.05 ? 150 LYS C CB 1 ATOM 13903 C CG . LYS C 3 147 ? -25.883 -9.567 90.581 1.00 58.44 ? 150 LYS C CG 1 ATOM 13904 C CD . LYS C 3 147 ? -27.220 -9.077 91.112 1.00 60.07 ? 150 LYS C CD 1 ATOM 13905 C CE . LYS C 3 147 ? -27.453 -9.518 92.548 1.00 62.22 ? 150 LYS C CE 1 ATOM 13906 N NZ . LYS C 3 147 ? -28.828 -9.165 92.991 1.00 65.36 ? 150 LYS C NZ 1 ATOM 13907 N N . LEU C 3 148 ? -23.149 -7.258 88.955 1.00 58.52 ? 151 LEU C N 1 ATOM 13908 C CA . LEU C 3 148 ? -21.900 -6.778 89.533 1.00 63.20 ? 151 LEU C CA 1 ATOM 13909 C C . LEU C 3 148 ? -21.891 -5.259 89.656 1.00 71.50 ? 151 LEU C C 1 ATOM 13910 O O . LEU C 3 148 ? -21.395 -4.717 90.651 1.00 75.11 ? 151 LEU C O 1 ATOM 13911 C CB . LEU C 3 148 ? -20.710 -7.246 88.706 1.00 61.17 ? 151 LEU C CB 1 ATOM 13912 C CG . LEU C 3 148 ? -19.404 -6.720 89.296 1.00 64.76 ? 151 LEU C CG 1 ATOM 13913 C CD1 . LEU C 3 148 ? -18.540 -7.855 89.813 1.00 66.24 ? 151 LEU C CD1 1 ATOM 13914 C CD2 . LEU C 3 148 ? -18.670 -5.888 88.273 1.00 63.46 ? 151 LEU C CD2 1 ATOM 13915 N N . GLU C 3 149 ? -22.431 -4.551 88.662 1.00 70.82 ? 152 GLU C N 1 ATOM 13916 C CA . GLU C 3 149 ? -22.476 -3.097 88.772 1.00 74.18 ? 152 GLU C CA 1 ATOM 13917 C C . GLU C 3 149 ? -23.413 -2.650 89.885 1.00 71.59 ? 152 GLU C C 1 ATOM 13918 O O . GLU C 3 149 ? -23.177 -1.611 90.514 1.00 71.03 ? 152 GLU C O 1 ATOM 13919 C CB . GLU C 3 149 ? -22.890 -2.470 87.444 1.00 79.60 ? 152 GLU C CB 1 ATOM 13920 C CG . GLU C 3 149 ? -21.859 -2.653 86.346 1.00 84.54 ? 152 GLU C CG 1 ATOM 13921 C CD . GLU C 3 149 ? -22.059 -1.693 85.193 1.00 85.04 ? 152 GLU C CD 1 ATOM 13922 O OE1 . GLU C 3 149 ? -22.968 -0.839 85.277 1.00 90.27 ? 152 GLU C OE1 1 ATOM 13923 O OE2 . GLU C 3 149 ? -21.301 -1.794 84.207 1.00 77.60 ? 152 GLU C OE2 1 ATOM 13924 N N . GLU C 3 150 ? -24.473 -3.414 90.144 1.00 70.64 ? 153 GLU C N 1 ATOM 13925 C CA . GLU C 3 150 ? -25.362 -3.080 91.250 1.00 74.74 ? 153 GLU C CA 1 ATOM 13926 C C . GLU C 3 150 ? -24.663 -3.276 92.588 1.00 71.17 ? 153 GLU C C 1 ATOM 13927 O O . GLU C 3 150 ? -24.704 -2.397 93.456 1.00 75.16 ? 153 GLU C O 1 ATOM 13928 C CB . GLU C 3 150 ? -26.634 -3.922 91.173 1.00 69.34 ? 153 GLU C CB 1 ATOM 13929 C CG . GLU C 3 150 ? -27.546 -3.553 90.021 1.00 82.33 ? 153 GLU C CG 1 ATOM 13930 C CD . GLU C 3 150 ? -28.742 -4.472 89.917 1.00 83.46 ? 153 GLU C CD 1 ATOM 13931 O OE1 . GLU C 3 150 ? -28.867 -5.383 90.762 1.00 81.86 ? 153 GLU C OE1 1 ATOM 13932 O OE2 . GLU C 3 150 ? -29.556 -4.284 88.989 1.00 86.08 ? 153 GLU C OE2 1 ATOM 13933 N N . LEU C 3 151 ? -24.002 -4.423 92.768 1.00 76.72 ? 154 LEU C N 1 ATOM 13934 C CA . LEU C 3 151 ? -23.340 -4.700 94.040 1.00 69.50 ? 154 LEU C CA 1 ATOM 13935 C C . LEU C 3 151 ? -22.170 -3.755 94.280 1.00 75.17 ? 154 LEU C C 1 ATOM 13936 O O . LEU C 3 151 ? -21.965 -3.286 95.406 1.00 81.01 ? 154 LEU C O 1 ATOM 13937 C CB . LEU C 3 151 ? -22.867 -6.150 94.077 1.00 66.24 ? 154 LEU C CB 1 ATOM 13938 C CG . LEU C 3 151 ? -23.965 -7.195 93.902 1.00 64.85 ? 154 LEU C CG 1 ATOM 13939 C CD1 . LEU C 3 151 ? -23.368 -8.580 93.794 1.00 61.93 ? 154 LEU C CD1 1 ATOM 13940 C CD2 . LEU C 3 151 ? -24.940 -7.125 95.057 1.00 68.32 ? 154 LEU C CD2 1 ATOM 13941 N N . ALA C 3 152 ? -21.388 -3.472 93.238 1.00 72.19 ? 155 ALA C N 1 ATOM 13942 C CA . ALA C 3 152 ? -20.213 -2.623 93.398 1.00 70.96 ? 155 ALA C CA 1 ATOM 13943 C C . ALA C 3 152 ? -20.607 -1.201 93.771 1.00 75.68 ? 155 ALA C C 1 ATOM 13944 O O . ALA C 3 152 ? -19.893 -0.534 94.525 1.00 78.80 ? 155 ALA C O 1 ATOM 13945 C CB . ALA C 3 152 ? -19.383 -2.638 92.116 1.00 68.07 ? 155 ALA C CB 1 ATOM 13946 N N . SER C 3 153 ? -21.737 -0.729 93.245 1.00 80.56 ? 156 SER C N 1 ATOM 13947 C CA . SER C 3 153 ? -22.327 0.573 93.571 1.00 85.97 ? 156 SER C CA 1 ATOM 13948 C C . SER C 3 153 ? -21.310 1.708 93.432 1.00 89.65 ? 156 SER C C 1 ATOM 13949 O O . SER C 3 153 ? -21.019 2.443 94.375 1.00 88.60 ? 156 SER C O 1 ATOM 13950 C CB . SER C 3 153 ? -22.949 0.559 94.970 1.00 85.25 ? 156 SER C CB 1 ATOM 13951 O OG . SER C 3 153 ? -21.960 0.449 95.978 1.00 86.43 ? 156 SER C OG 1 ATOM 13952 N N . GLY C 3 154 ? -20.773 1.842 92.224 1.00 87.49 ? 157 GLY C N 1 ATOM 13953 C CA . GLY C 3 154 ? -19.912 2.956 91.897 1.00 84.64 ? 157 GLY C CA 1 ATOM 13954 C C . GLY C 3 154 ? -18.438 2.752 92.165 1.00 83.69 ? 157 GLY C C 1 ATOM 13955 O O . GLY C 3 154 ? -17.647 3.660 91.887 1.00 87.35 ? 157 GLY C O 1 ATOM 13956 N N . ARG C 3 155 ? -18.036 1.600 92.688 1.00 80.71 ? 158 ARG C N 1 ATOM 13957 C CA . ARG C 3 155 ? -16.627 1.372 92.965 1.00 83.95 ? 158 ARG C CA 1 ATOM 13958 C C . ARG C 3 155 ? -15.863 1.072 91.675 1.00 80.99 ? 158 ARG C C 1 ATOM 13959 O O . ARG C 3 155 ? -16.428 0.619 90.675 1.00 77.06 ? 158 ARG C O 1 ATOM 13960 C CB . ARG C 3 155 ? -16.459 0.229 93.967 1.00 83.17 ? 158 ARG C CB 1 ATOM 13961 C CG . ARG C 3 155 ? -16.989 0.557 95.358 1.00 86.51 ? 158 ARG C CG 1 ATOM 13962 C CD . ARG C 3 155 ? -17.072 -0.683 96.234 1.00 84.25 ? 158 ARG C CD 1 ATOM 13963 N NE . ARG C 3 155 ? -15.759 -1.267 96.481 1.00 82.32 ? 158 ARG C NE 1 ATOM 13964 C CZ . ARG C 3 155 ? -15.568 -2.470 97.011 1.00 81.43 ? 158 ARG C CZ 1 ATOM 13965 N NH1 . ARG C 3 155 ? -16.610 -3.220 97.345 1.00 77.71 ? 158 ARG C NH1 1 ATOM 13966 N NH2 . ARG C 3 155 ? -14.338 -2.925 97.202 1.00 78.28 ? 158 ARG C NH2 1 ATOM 13967 N N . ASN C 3 156 ? -14.559 1.339 91.710 1.00 81.25 ? 159 ASN C N 1 ATOM 13968 C CA . ASN C 3 156 ? -13.711 1.093 90.550 1.00 78.42 ? 159 ASN C CA 1 ATOM 13969 C C . ASN C 3 156 ? -13.598 -0.400 90.281 1.00 75.36 ? 159 ASN C C 1 ATOM 13970 O O . ASN C 3 156 ? -13.331 -1.189 91.191 1.00 76.72 ? 159 ASN C O 1 ATOM 13971 C CB . ASN C 3 156 ? -12.324 1.694 90.767 1.00 82.36 ? 159 ASN C CB 1 ATOM 13972 C CG . ASN C 3 156 ? -12.327 3.203 90.678 1.00 91.46 ? 159 ASN C CG 1 ATOM 13973 O OD1 . ASN C 3 156 ? -12.997 3.781 89.823 1.00 92.20 ? 159 ASN C OD1 1 ATOM 13974 N ND2 . ASN C 3 156 ? -11.582 3.853 91.565 1.00 98.46 ? 159 ASN C ND2 1 ATOM 13975 N N . GLN C 3 157 ? -13.800 -0.787 89.027 1.00 73.26 ? 160 GLN C N 1 ATOM 13976 C CA . GLN C 3 157 ? -13.729 -2.182 88.619 1.00 67.16 ? 160 GLN C CA 1 ATOM 13977 C C . GLN C 3 157 ? -12.422 -2.452 87.890 1.00 68.03 ? 160 GLN C C 1 ATOM 13978 O O . GLN C 3 157 ? -11.947 -1.621 87.110 1.00 72.89 ? 160 GLN C O 1 ATOM 13979 C CB . GLN C 3 157 ? -14.904 -2.552 87.712 1.00 61.82 ? 160 GLN C CB 1 ATOM 13980 C CG . GLN C 3 157 ? -16.267 -2.280 88.311 1.00 65.62 ? 160 GLN C CG 1 ATOM 13981 C CD . GLN C 3 157 ? -17.379 -2.809 87.438 1.00 59.99 ? 160 GLN C CD 1 ATOM 13982 O OE1 . GLN C 3 157 ? -17.155 -3.681 86.603 1.00 57.05 ? 160 GLN C OE1 1 ATOM 13983 N NE2 . GLN C 3 157 ? -18.584 -2.282 87.619 1.00 61.78 ? 160 GLN C NE2 1 ATOM 13984 N N . MET C 3 158 ? -11.843 -3.615 88.155 1.00 65.11 ? 161 MET C N 1 ATOM 13985 C CA . MET C 3 158 ? -10.694 -4.102 87.412 1.00 65.87 ? 161 MET C CA 1 ATOM 13986 C C . MET C 3 158 ? -11.162 -5.114 86.377 1.00 66.62 ? 161 MET C C 1 ATOM 13987 O O . MET C 3 158 ? -12.154 -5.819 86.578 1.00 66.94 ? 161 MET C O 1 ATOM 13988 C CB . MET C 3 158 ? -9.667 -4.746 88.343 1.00 67.11 ? 161 MET C CB 1 ATOM 13989 C CG . MET C 3 158 ? -9.269 -3.875 89.517 1.00 75.03 ? 161 MET C CG 1 ATOM 13990 S SD . MET C 3 158 ? -8.489 -2.339 88.997 1.00 81.99 ? 161 MET C SD 1 ATOM 13991 C CE . MET C 3 158 ? -9.675 -1.131 89.583 1.00 86.45 ? 161 MET C CE 1 ATOM 13992 N N . TYR C 3 159 ? -10.435 -5.180 85.261 1.00 67.35 ? 162 TYR C N 1 ATOM 13993 C CA . TYR C 3 159 ? -10.740 -6.092 84.160 1.00 61.49 ? 162 TYR C CA 1 ATOM 13994 C C . TYR C 3 159 ? -9.526 -6.986 83.939 1.00 62.69 ? 162 TYR C C 1 ATOM 13995 O O . TYR C 3 159 ? -8.693 -6.716 83.061 1.00 65.14 ? 162 TYR C O 1 ATOM 13996 C CB . TYR C 3 159 ? -11.113 -5.324 82.895 1.00 58.96 ? 162 TYR C CB 1 ATOM 13997 C CG . TYR C 3 159 ? -12.202 -4.305 83.122 1.00 63.33 ? 162 TYR C CG 1 ATOM 13998 C CD1 . TYR C 3 159 ? -13.539 -4.675 83.105 1.00 64.72 ? 162 TYR C CD1 1 ATOM 13999 C CD2 . TYR C 3 159 ? -11.893 -2.973 83.363 1.00 67.82 ? 162 TYR C CD2 1 ATOM 14000 C CE1 . TYR C 3 159 ? -14.540 -3.746 83.315 1.00 65.88 ? 162 TYR C CE1 1 ATOM 14001 C CE2 . TYR C 3 159 ? -12.886 -2.037 83.573 1.00 68.35 ? 162 TYR C CE2 1 ATOM 14002 C CZ . TYR C 3 159 ? -14.206 -2.428 83.548 1.00 69.25 ? 162 TYR C CZ 1 ATOM 14003 O OH . TYR C 3 159 ? -15.196 -1.496 83.756 1.00 75.25 ? 162 TYR C OH 1 ATOM 14004 N N . PRO C 3 160 ? -9.396 -8.066 84.715 1.00 60.64 ? 163 PRO C N 1 ATOM 14005 C CA . PRO C 3 160 ? -8.172 -8.881 84.643 1.00 63.18 ? 163 PRO C CA 1 ATOM 14006 C C . PRO C 3 160 ? -7.965 -9.574 83.311 1.00 62.05 ? 163 PRO C C 1 ATOM 14007 O O . PRO C 3 160 ? -6.832 -9.980 83.023 1.00 62.81 ? 163 PRO C O 1 ATOM 14008 C CB . PRO C 3 160 ? -8.363 -9.905 85.772 1.00 64.46 ? 163 PRO C CB 1 ATOM 14009 C CG . PRO C 3 160 ? -9.386 -9.297 86.675 1.00 64.14 ? 163 PRO C CG 1 ATOM 14010 C CD . PRO C 3 160 ? -10.302 -8.526 85.779 1.00 61.45 ? 163 PRO C CD 1 ATOM 14011 N N . HIS C 3 161 ? -9.010 -9.734 82.496 1.00 60.89 ? 164 HIS C N 1 ATOM 14012 C CA . HIS C 3 161 ? -8.873 -10.417 81.216 1.00 59.27 ? 164 HIS C CA 1 ATOM 14013 C C . HIS C 3 161 ? -8.385 -9.500 80.105 1.00 61.33 ? 164 HIS C C 1 ATOM 14014 O O . HIS C 3 161 ? -7.999 -9.996 79.041 1.00 60.33 ? 164 HIS C O 1 ATOM 14015 C CB . HIS C 3 161 ? -10.204 -11.060 80.809 1.00 56.62 ? 164 HIS C CB 1 ATOM 14016 C CG . HIS C 3 161 ? -11.275 -10.076 80.453 1.00 57.11 ? 164 HIS C CG 1 ATOM 14017 N ND1 . HIS C 3 161 ? -11.810 -9.195 81.367 1.00 59.01 ? 164 HIS C ND1 1 ATOM 14018 C CD2 . HIS C 3 161 ? -11.920 -9.843 79.285 1.00 57.82 ? 164 HIS C CD2 1 ATOM 14019 C CE1 . HIS C 3 161 ? -12.732 -8.456 80.777 1.00 60.31 ? 164 HIS C CE1 1 ATOM 14020 N NE2 . HIS C 3 161 ? -12.819 -8.829 79.513 1.00 60.78 ? 164 HIS C NE2 1 ATOM 14021 N N . LEU C 3 162 ? -8.392 -8.185 80.323 1.00 59.93 ? 165 LEU C N 1 ATOM 14022 C CA . LEU C 3 162 ? -7.892 -7.224 79.353 1.00 62.84 ? 165 LEU C CA 1 ATOM 14023 C C . LEU C 3 162 ? -6.422 -6.889 79.571 1.00 63.72 ? 165 LEU C C 1 ATOM 14024 O O . LEU C 3 162 ? -5.964 -5.828 79.132 1.00 69.29 ? 165 LEU C O 1 ATOM 14025 C CB . LEU C 3 162 ? -8.731 -5.945 79.396 1.00 52.35 ? 165 LEU C CB 1 ATOM 14026 C CG . LEU C 3 162 ? -10.231 -6.103 79.148 1.00 50.82 ? 165 LEU C CG 1 ATOM 14027 C CD1 . LEU C 3 162 ? -10.913 -4.746 79.123 1.00 52.95 ? 165 LEU C CD1 1 ATOM 14028 C CD2 . LEU C 3 162 ? -10.489 -6.863 77.858 1.00 51.74 ? 165 LEU C CD2 1 ATOM 14029 N N . LYS C 3 163 ? -5.676 -7.767 80.235 1.00 60.70 ? 166 LYS C N 1 ATOM 14030 C CA . LYS C 3 163 ? -4.271 -7.528 80.557 1.00 64.04 ? 166 LYS C CA 1 ATOM 14031 C C . LYS C 3 163 ? -3.331 -8.264 79.611 1.00 64.92 ? 166 LYS C C 1 ATOM 14032 O O . LYS C 3 163 ? -2.296 -8.782 80.040 1.00 63.14 ? 166 LYS C O 1 ATOM 14033 C CB . LYS C 3 163 ? -3.995 -7.921 82.003 1.00 64.15 ? 166 LYS C CB 1 ATOM 14034 C CG . LYS C 3 163 ? -4.735 -7.073 83.020 1.00 65.79 ? 166 LYS C CG 1 ATOM 14035 C CD . LYS C 3 163 ? -4.137 -5.679 83.115 1.00 70.89 ? 166 LYS C CD 1 ATOM 14036 C CE . LYS C 3 163 ? -4.710 -4.925 84.304 1.00 76.55 ? 166 LYS C CE 1 ATOM 14037 N NZ . LYS C 3 163 ? -3.963 -3.670 84.598 1.00 82.83 ? 166 LYS C NZ 1 ATOM 14038 N N . ASP C 3 164 ? -3.667 -8.311 78.321 1.00 66.70 ? 167 ASP C N 1 ATOM 14039 C CA . ASP C 3 164 ? -2.879 -9.008 77.304 1.00 71.77 ? 167 ASP C CA 1 ATOM 14040 C C . ASP C 3 164 ? -2.637 -10.466 77.710 1.00 72.52 ? 167 ASP C C 1 ATOM 14041 O O . ASP C 3 164 ? -1.524 -10.896 78.011 1.00 58.09 ? 167 ASP C O 1 ATOM 14042 C CB . ASP C 3 164 ? -1.562 -8.273 77.038 1.00 74.05 ? 167 ASP C CB 1 ATOM 14043 C CG . ASP C 3 164 ? -0.789 -8.864 75.872 1.00 80.10 ? 167 ASP C CG 1 ATOM 14044 O OD1 . ASP C 3 164 ? -1.415 -9.503 74.997 1.00 81.16 ? 167 ASP C OD1 1 ATOM 14045 O OD2 . ASP C 3 164 ? 0.446 -8.686 75.830 1.00 83.31 ? 167 ASP C OD2 1 ATOM 14046 N N . CYS C 3 165 ? -3.730 -11.219 77.695 1.00 73.57 ? 168 CYS C N 1 ATOM 14047 C CA . CYS C 3 165 ? -3.720 -12.602 78.148 1.00 71.33 ? 168 CYS C CA 1 ATOM 14048 C C . CYS C 3 165 ? -3.487 -13.587 76.995 1.00 75.08 ? 168 CYS C C 1 ATOM 14049 O O . CYS C 3 165 ? -3.545 -14.806 77.172 1.00 73.85 ? 168 CYS C O 1 ATOM 14050 C CB . CYS C 3 165 ? -5.034 -12.907 78.868 1.00 69.17 ? 168 CYS C CB 1 ATOM 14051 S SG . CYS C 3 165 ? -5.429 -11.709 80.181 1.00 70.66 ? 168 CYS C SG 1 ATOM 14052 O OXT . CYS C 3 165 ? -3.221 -13.196 75.855 1.00 77.81 ? 168 CYS C OXT 1 ATOM 14053 N N . CYS D 4 16 ? -40.632 -6.109 25.364 1.00 136.79 ? 14 CYS D N 1 ATOM 14054 C CA . CYS D 4 16 ? -39.794 -6.899 26.257 1.00 133.58 ? 14 CYS D CA 1 ATOM 14055 C C . CYS D 4 16 ? -40.510 -8.152 26.722 1.00 133.42 ? 14 CYS D C 1 ATOM 14056 O O . CYS D 4 16 ? -40.203 -8.689 27.785 1.00 134.23 ? 14 CYS D O 1 ATOM 14057 C CB . CYS D 4 16 ? -39.378 -6.086 27.482 1.00 137.60 ? 14 CYS D CB 1 ATOM 14058 S SG . CYS D 4 16 ? -38.417 -4.614 27.138 1.00 142.58 ? 14 CYS D SG 1 ATOM 14059 N N . GLU D 4 17 ? -41.481 -8.616 25.930 1.00 132.30 ? 15 GLU D N 1 ATOM 14060 C CA . GLU D 4 17 ? -42.299 -9.748 26.325 1.00 129.29 ? 15 GLU D CA 1 ATOM 14061 C C . GLU D 4 17 ? -41.981 -10.900 25.390 1.00 121.42 ? 15 GLU D C 1 ATOM 14062 O O . GLU D 4 17 ? -40.922 -11.537 25.536 1.00 112.68 ? 15 GLU D O 1 ATOM 14063 C CB . GLU D 4 17 ? -43.781 -9.353 26.344 1.00 132.62 ? 15 GLU D CB 1 ATOM 14064 C CG . GLU D 4 17 ? -44.083 -8.135 27.206 1.00 133.88 ? 15 GLU D CG 1 ATOM 14065 C CD . GLU D 4 17 ? -43.566 -8.274 28.630 1.00 132.60 ? 15 GLU D CD 1 ATOM 14066 O OE1 . GLU D 4 17 ? -43.643 -9.386 29.198 1.00 131.80 ? 15 GLU D OE1 1 ATOM 14067 O OE2 . GLU D 4 17 ? -43.077 -7.267 29.183 1.00 132.56 ? 15 GLU D OE2 1 ATOM 14068 N N . GLU D 4 18 ? -42.841 -11.221 24.425 1.00 124.20 ? 16 GLU D N 1 ATOM 14069 C CA . GLU D 4 18 ? -42.623 -12.344 23.522 1.00 122.51 ? 16 GLU D CA 1 ATOM 14070 C C . GLU D 4 18 ? -42.070 -11.903 22.173 1.00 119.95 ? 16 GLU D C 1 ATOM 14071 O O . GLU D 4 18 ? -42.345 -12.544 21.153 1.00 126.16 ? 16 GLU D O 1 ATOM 14072 C CB . GLU D 4 18 ? -43.917 -13.130 23.329 1.00 130.66 ? 16 GLU D CB 1 ATOM 14073 C CG . GLU D 4 18 ? -44.283 -14.004 24.510 1.00 134.93 ? 16 GLU D CG 1 ATOM 14074 C CD . GLU D 4 18 ? -45.411 -14.960 24.190 1.00 140.35 ? 16 GLU D CD 1 ATOM 14075 O OE1 . GLU D 4 18 ? -46.196 -14.670 23.262 1.00 142.52 ? 16 GLU D OE1 1 ATOM 14076 O OE2 . GLU D 4 18 ? -45.507 -16.008 24.863 1.00 142.04 ? 16 GLU D OE2 1 ATOM 14077 N N . VAL D 4 19 ? -41.301 -10.819 22.145 1.00 110.14 ? 17 VAL D N 1 ATOM 14078 C CA . VAL D 4 19 ? -40.664 -10.385 20.909 1.00 101.19 ? 17 VAL D CA 1 ATOM 14079 C C . VAL D 4 19 ? -39.502 -11.321 20.601 1.00 97.05 ? 17 VAL D C 1 ATOM 14080 O O . VAL D 4 19 ? -38.612 -11.524 21.437 1.00 98.53 ? 17 VAL D O 1 ATOM 14081 C CB . VAL D 4 19 ? -40.192 -8.929 21.017 1.00 94.77 ? 17 VAL D CB 1 ATOM 14082 C CG1 . VAL D 4 19 ? -39.531 -8.488 19.718 1.00 89.75 ? 17 VAL D CG1 1 ATOM 14083 C CG2 . VAL D 4 19 ? -41.355 -8.018 21.389 1.00 97.69 ? 17 VAL D CG2 1 ATOM 14084 N N . ILE D 4 20 ? -39.510 -11.901 19.405 1.00 91.59 ? 18 ILE D N 1 ATOM 14085 C CA . ILE D 4 20 ? -38.455 -12.822 18.990 1.00 84.85 ? 18 ILE D CA 1 ATOM 14086 C C . ILE D 4 20 ? -37.267 -12.014 18.488 1.00 79.83 ? 18 ILE D C 1 ATOM 14087 O O . ILE D 4 20 ? -37.428 -11.085 17.687 1.00 84.63 ? 18 ILE D O 1 ATOM 14088 C CB . ILE D 4 20 ? -38.969 -13.786 17.908 1.00 87.38 ? 18 ILE D CB 1 ATOM 14089 C CG1 . ILE D 4 20 ? -40.220 -14.520 18.391 1.00 91.60 ? 18 ILE D CG1 1 ATOM 14090 C CG2 . ILE D 4 20 ? -37.889 -14.789 17.525 1.00 86.21 ? 18 ILE D CG2 1 ATOM 14091 C CD1 . ILE D 4 20 ? -40.003 -15.320 19.654 1.00 92.35 ? 18 ILE D CD1 1 ATOM 14092 N N . CYS D 4 21 ? -36.071 -12.358 18.958 1.00 71.24 ? 19 CYS D N 1 ATOM 14093 C CA . CYS D 4 21 ? -34.847 -11.710 18.507 1.00 69.00 ? 19 CYS D CA 1 ATOM 14094 C C . CYS D 4 21 ? -33.948 -12.735 17.823 1.00 67.79 ? 19 CYS D C 1 ATOM 14095 O O . CYS D 4 21 ? -34.187 -13.943 17.879 1.00 68.64 ? 19 CYS D O 1 ATOM 14096 C CB . CYS D 4 21 ? -34.120 -11.016 19.669 1.00 66.95 ? 19 CYS D CB 1 ATOM 14097 S SG . CYS D 4 21 ? -33.850 -12.020 21.152 1.00 65.08 ? 19 CYS D SG 1 ATOM 14098 N N . HIS D 4 22 ? -32.908 -12.235 17.158 1.00 67.03 ? 20 HIS D N 1 ATOM 14099 C CA . HIS D 4 22 ? -32.073 -13.048 16.286 1.00 67.22 ? 20 HIS D CA 1 ATOM 14100 C C . HIS D 4 22 ? -30.598 -12.756 16.516 1.00 57.98 ? 20 HIS D C 1 ATOM 14101 O O . HIS D 4 22 ? -30.191 -11.597 16.670 1.00 57.60 ? 20 HIS D O 1 ATOM 14102 C CB . HIS D 4 22 ? -32.405 -12.806 14.805 1.00 77.30 ? 20 HIS D CB 1 ATOM 14103 C CG . HIS D 4 22 ? -33.818 -13.133 14.440 1.00 91.63 ? 20 HIS D CG 1 ATOM 14104 N ND1 . HIS D 4 22 ? -34.881 -12.325 14.781 1.00 98.92 ? 20 HIS D ND1 1 ATOM 14105 C CD2 . HIS D 4 22 ? -34.343 -14.177 13.757 1.00 98.65 ? 20 HIS D CD2 1 ATOM 14106 C CE1 . HIS D 4 22 ? -36.001 -12.860 14.328 1.00 103.64 ? 20 HIS D CE1 1 ATOM 14107 N NE2 . HIS D 4 22 ? -35.703 -13.984 13.703 1.00 103.99 ? 20 HIS D NE2 1 ATOM 14108 N N . ARG D 4 23 ? -29.811 -13.827 16.539 1.00 53.41 ? 21 ARG D N 1 ATOM 14109 C CA . ARG D 4 23 ? -28.360 -13.772 16.473 1.00 53.53 ? 21 ARG D CA 1 ATOM 14110 C C . ARG D 4 23 ? -27.936 -14.172 15.067 1.00 58.15 ? 21 ARG D C 1 ATOM 14111 O O . ARG D 4 23 ? -28.363 -15.215 14.555 1.00 62.69 ? 21 ARG D O 1 ATOM 14112 C CB . ARG D 4 23 ? -27.724 -14.702 17.508 1.00 50.93 ? 21 ARG D CB 1 ATOM 14113 C CG . ARG D 4 23 ? -26.210 -14.766 17.440 1.00 51.34 ? 21 ARG D CG 1 ATOM 14114 C CD . ARG D 4 23 ? -25.689 -16.084 17.990 1.00 52.71 ? 21 ARG D CD 1 ATOM 14115 N NE . ARG D 4 23 ? -25.902 -16.201 19.427 1.00 55.46 ? 21 ARG D NE 1 ATOM 14116 C CZ . ARG D 4 23 ? -25.605 -17.283 20.139 1.00 59.00 ? 21 ARG D CZ 1 ATOM 14117 N NH1 . ARG D 4 23 ? -25.084 -18.349 19.545 1.00 59.55 ? 21 ARG D NH1 1 ATOM 14118 N NH2 . ARG D 4 23 ? -25.828 -17.301 21.446 1.00 61.58 ? 21 ARG D NH2 1 ATOM 14119 N N . LYS D 4 24 ? -27.097 -13.344 14.453 1.00 57.14 ? 22 LYS D N 1 ATOM 14120 C CA . LYS D 4 24 ? -26.766 -13.452 13.040 1.00 57.30 ? 22 LYS D CA 1 ATOM 14121 C C . LYS D 4 24 ? -25.305 -13.062 12.861 1.00 53.16 ? 22 LYS D C 1 ATOM 14122 O O . LYS D 4 24 ? -24.700 -12.453 13.741 1.00 55.67 ? 22 LYS D O 1 ATOM 14123 C CB . LYS D 4 24 ? -27.699 -12.548 12.212 1.00 59.38 ? 22 LYS D CB 1 ATOM 14124 C CG . LYS D 4 24 ? -27.546 -12.606 10.708 1.00 63.69 ? 22 LYS D CG 1 ATOM 14125 C CD . LYS D 4 24 ? -28.317 -11.464 10.058 1.00 72.82 ? 22 LYS D CD 1 ATOM 14126 C CE . LYS D 4 24 ? -28.125 -11.438 8.550 1.00 79.59 ? 22 LYS D CE 1 ATOM 14127 N NZ . LYS D 4 24 ? -28.706 -12.639 7.890 1.00 85.80 ? 22 LYS D NZ 1 ATOM 14128 N N . LEU D 4 25 ? -24.727 -13.434 11.726 1.00 53.52 ? 23 LEU D N 1 ATOM 14129 C CA . LEU D 4 25 ? -23.405 -12.957 11.342 1.00 49.16 ? 23 LEU D CA 1 ATOM 14130 C C . LEU D 4 25 ? -23.537 -11.846 10.307 1.00 48.53 ? 23 LEU D C 1 ATOM 14131 O O . LEU D 4 25 ? -24.358 -11.938 9.391 1.00 47.74 ? 23 LEU D O 1 ATOM 14132 C CB . LEU D 4 25 ? -22.557 -14.089 10.771 1.00 46.32 ? 23 LEU D CB 1 ATOM 14133 C CG . LEU D 4 25 ? -22.176 -15.178 11.761 1.00 44.17 ? 23 LEU D CG 1 ATOM 14134 C CD1 . LEU D 4 25 ? -21.264 -16.166 11.062 1.00 42.49 ? 23 LEU D CD1 1 ATOM 14135 C CD2 . LEU D 4 25 ? -21.501 -14.556 12.973 1.00 39.44 ? 23 LEU D CD2 1 ATOM 14136 N N . ASN D 4 26 ? -22.729 -10.796 10.454 1.00 45.72 ? 24 ASN D N 1 ATOM 14137 C CA . ASN D 4 26 ? -22.748 -9.700 9.496 1.00 45.13 ? 24 ASN D CA 1 ATOM 14138 C C . ASN D 4 26 ? -21.726 -9.960 8.389 1.00 47.16 ? 24 ASN D C 1 ATOM 14139 O O . ASN D 4 26 ? -21.066 -11.001 8.351 1.00 46.71 ? 24 ASN D O 1 ATOM 14140 C CB . ASN D 4 26 ? -22.499 -8.360 10.193 1.00 42.22 ? 24 ASN D CB 1 ATOM 14141 C CG . ASN D 4 26 ? -21.052 -8.170 10.618 1.00 43.35 ? 24 ASN D CG 1 ATOM 14142 O OD1 . ASN D 4 26 ? -20.258 -9.112 10.622 1.00 40.90 ? 24 ASN D OD1 1 ATOM 14143 N ND2 . ASN D 4 26 ? -20.709 -6.945 10.999 1.00 41.23 ? 24 ASN D ND2 1 ATOM 14144 N N . HIS D 4 27 ? -21.569 -8.987 7.488 1.00 51.32 ? 25 HIS D N 1 ATOM 14145 C CA . HIS D 4 27 ? -20.735 -9.200 6.310 1.00 50.81 ? 25 HIS D CA 1 ATOM 14146 C C . HIS D 4 27 ? -19.258 -9.361 6.648 1.00 48.74 ? 25 HIS D C 1 ATOM 14147 O O . HIS D 4 27 ? -18.489 -9.828 5.803 1.00 55.34 ? 25 HIS D O 1 ATOM 14148 C CB . HIS D 4 27 ? -20.920 -8.050 5.326 1.00 47.13 ? 25 HIS D CB 1 ATOM 14149 C CG . HIS D 4 27 ? -20.512 -6.721 5.876 1.00 49.64 ? 25 HIS D CG 1 ATOM 14150 N ND1 . HIS D 4 27 ? -19.400 -6.040 5.430 1.00 50.51 ? 25 HIS D ND1 1 ATOM 14151 C CD2 . HIS D 4 27 ? -21.064 -5.951 6.843 1.00 50.20 ? 25 HIS D CD2 1 ATOM 14152 C CE1 . HIS D 4 27 ? -19.287 -4.904 6.093 1.00 52.48 ? 25 HIS D CE1 1 ATOM 14153 N NE2 . HIS D 4 27 ? -20.284 -4.825 6.957 1.00 54.38 ? 25 HIS D NE2 1 ATOM 14154 N N . LEU D 4 28 ? -18.838 -8.983 7.851 1.00 48.18 ? 26 LEU D N 1 ATOM 14155 C CA . LEU D 4 28 ? -17.456 -9.158 8.271 1.00 48.03 ? 26 LEU D CA 1 ATOM 14156 C C . LEU D 4 28 ? -17.261 -10.361 9.182 1.00 51.60 ? 26 LEU D C 1 ATOM 14157 O O . LEU D 4 28 ? -16.124 -10.667 9.539 1.00 59.60 ? 26 LEU D O 1 ATOM 14158 C CB . LEU D 4 28 ? -16.947 -7.895 8.975 1.00 45.33 ? 26 LEU D CB 1 ATOM 14159 C CG . LEU D 4 28 ? -16.892 -6.633 8.115 1.00 47.39 ? 26 LEU D CG 1 ATOM 14160 C CD1 . LEU D 4 28 ? -16.271 -5.468 8.881 1.00 44.48 ? 26 LEU D CD1 1 ATOM 14161 C CD2 . LEU D 4 28 ? -16.134 -6.903 6.820 1.00 47.27 ? 26 LEU D CD2 1 ATOM 14162 N N . GLY D 4 29 ? -18.332 -11.049 9.562 1.00 50.21 ? 27 GLY D N 1 ATOM 14163 C CA . GLY D 4 29 ? -18.240 -12.182 10.453 1.00 51.75 ? 27 GLY D CA 1 ATOM 14164 C C . GLY D 4 29 ? -18.555 -11.881 11.902 1.00 59.28 ? 27 GLY D C 1 ATOM 14165 O O . GLY D 4 29 ? -18.631 -12.819 12.705 1.00 64.34 ? 27 GLY D O 1 ATOM 14166 N N . GLU D 4 30 ? -18.734 -10.612 12.265 1.00 61.94 ? 28 GLU D N 1 ATOM 14167 C CA . GLU D 4 30 ? -19.090 -10.263 13.635 1.00 66.62 ? 28 GLU D CA 1 ATOM 14168 C C . GLU D 4 30 ? -20.493 -10.759 13.967 1.00 64.44 ? 28 GLU D C 1 ATOM 14169 O O . GLU D 4 30 ? -21.390 -10.760 13.119 1.00 67.46 ? 28 GLU D O 1 ATOM 14170 C CB . GLU D 4 30 ? -19.019 -8.748 13.842 1.00 76.90 ? 28 GLU D CB 1 ATOM 14171 C CG . GLU D 4 30 ? -17.614 -8.176 13.937 1.00 87.64 ? 28 GLU D CG 1 ATOM 14172 C CD . GLU D 4 30 ? -16.821 -8.764 15.088 1.00 96.17 ? 28 GLU D CD 1 ATOM 14173 O OE1 . GLU D 4 30 ? -15.798 -9.432 14.826 1.00 98.56 ? 28 GLU D OE1 1 ATOM 14174 O OE2 . GLU D 4 30 ? -17.223 -8.569 16.254 1.00 100.18 ? 28 GLU D OE2 1 ATOM 14175 N N . ARG D 4 31 ? -20.681 -11.187 15.213 1.00 63.67 ? 29 ARG D N 1 ATOM 14176 C CA . ARG D 4 31 ? -22.002 -11.585 15.679 1.00 62.80 ? 29 ARG D CA 1 ATOM 14177 C C . ARG D 4 31 ? -22.817 -10.341 15.999 1.00 56.36 ? 29 ARG D C 1 ATOM 14178 O O . ARG D 4 31 ? -22.418 -9.527 16.838 1.00 58.24 ? 29 ARG D O 1 ATOM 14179 C CB . ARG D 4 31 ? -21.904 -12.497 16.901 1.00 67.69 ? 29 ARG D CB 1 ATOM 14180 C CG . ARG D 4 31 ? -22.028 -13.970 16.563 1.00 72.82 ? 29 ARG D CG 1 ATOM 14181 C CD . ARG D 4 31 ? -22.024 -14.847 17.798 1.00 79.49 ? 29 ARG D CD 1 ATOM 14182 N NE . ARG D 4 31 ? -22.267 -16.239 17.436 1.00 87.00 ? 29 ARG D NE 1 ATOM 14183 C CZ . ARG D 4 31 ? -21.326 -17.073 17.008 1.00 93.66 ? 29 ARG D CZ 1 ATOM 14184 N NH1 . ARG D 4 31 ? -20.072 -16.659 16.893 1.00 97.89 ? 29 ARG D NH1 1 ATOM 14185 N NH2 . ARG D 4 31 ? -21.638 -18.323 16.694 1.00 98.02 ? 29 ARG D NH2 1 ATOM 14186 N N . VAL D 4 32 ? -23.950 -10.194 15.322 1.00 50.64 ? 30 VAL D N 1 ATOM 14187 C CA . VAL D 4 32 ? -24.877 -9.091 15.528 1.00 51.35 ? 30 VAL D CA 1 ATOM 14188 C C . VAL D 4 32 ? -26.171 -9.672 16.072 1.00 55.10 ? 30 VAL D C 1 ATOM 14189 O O . VAL D 4 32 ? -26.652 -10.702 15.584 1.00 60.23 ? 30 VAL D O 1 ATOM 14190 C CB . VAL D 4 32 ? -25.120 -8.316 14.220 1.00 51.63 ? 30 VAL D CB 1 ATOM 14191 C CG1 . VAL D 4 32 ? -26.111 -7.179 14.433 1.00 49.79 ? 30 VAL D CG1 1 ATOM 14192 C CG2 . VAL D 4 32 ? -23.808 -7.784 13.686 1.00 53.50 ? 30 VAL D CG2 1 ATOM 14193 N N . THR D 4 33 ? -26.719 -9.031 17.096 1.00 55.28 ? 31 THR D N 1 ATOM 14194 C CA . THR D 4 33 ? -27.995 -9.417 17.675 1.00 56.87 ? 31 THR D CA 1 ATOM 14195 C C . THR D 4 33 ? -28.997 -8.299 17.436 1.00 57.33 ? 31 THR D C 1 ATOM 14196 O O . THR D 4 33 ? -28.666 -7.120 17.587 1.00 62.45 ? 31 THR D O 1 ATOM 14197 C CB . THR D 4 33 ? -27.855 -9.697 19.175 1.00 58.07 ? 31 THR D CB 1 ATOM 14198 O OG1 . THR D 4 33 ? -26.854 -10.700 19.382 1.00 56.21 ? 31 THR D OG1 1 ATOM 14199 C CG2 . THR D 4 33 ? -29.165 -10.190 19.744 1.00 61.89 ? 31 THR D CG2 1 ATOM 14200 N N . SER D 4 34 ? -30.215 -8.660 17.045 1.00 55.64 ? 32 SER D N 1 ATOM 14201 C CA . SER D 4 34 ? -31.218 -7.643 16.764 1.00 62.03 ? 32 SER D CA 1 ATOM 14202 C C . SER D 4 34 ? -32.593 -8.186 17.112 1.00 66.93 ? 32 SER D C 1 ATOM 14203 O O . SER D 4 34 ? -32.777 -9.387 17.307 1.00 70.90 ? 32 SER D O 1 ATOM 14204 C CB . SER D 4 34 ? -31.168 -7.199 15.299 1.00 69.60 ? 32 SER D CB 1 ATOM 14205 O OG . SER D 4 34 ? -31.423 -8.290 14.432 1.00 74.75 ? 32 SER D OG 1 ATOM 14206 N N . GLY D 4 35 ? -33.565 -7.282 17.193 1.00 67.45 ? 33 GLY D N 1 ATOM 14207 C CA . GLY D 4 35 ? -34.951 -7.640 17.422 1.00 72.72 ? 33 GLY D CA 1 ATOM 14208 C C . GLY D 4 35 ? -35.533 -7.129 18.722 1.00 77.30 ? 33 GLY D C 1 ATOM 14209 O O . GLY D 4 35 ? -36.763 -7.014 18.832 1.00 80.74 ? 33 GLY D O 1 ATOM 14210 N N . CYS D 4 36 ? -34.691 -6.811 19.726 1.00 75.68 ? 34 CYS D N 1 ATOM 14211 C CA . CYS D 4 36 ? -35.387 -6.355 20.925 1.00 76.34 ? 34 CYS D CA 1 ATOM 14212 C C . CYS D 4 36 ? -35.493 -4.832 20.938 1.00 75.69 ? 34 CYS D C 1 ATOM 14213 O O . CYS D 4 36 ? -34.542 -4.140 20.561 1.00 70.90 ? 34 CYS D O 1 ATOM 14214 C CB . CYS D 4 36 ? -34.666 -6.825 22.186 1.00 75.03 ? 34 CYS D CB 1 ATOM 14215 S SG . CYS D 4 36 ? -34.615 -8.619 22.389 1.00 79.67 ? 34 CYS D SG 1 ATOM 14216 N N . PRO D 4 37 ? -36.641 -4.295 21.370 1.00 81.40 ? 35 PRO D N 1 ATOM 14217 C CA . PRO D 4 37 ? -36.777 -2.837 21.485 1.00 84.30 ? 35 PRO D CA 1 ATOM 14218 C C . PRO D 4 37 ? -35.952 -2.267 22.626 1.00 80.33 ? 35 PRO D C 1 ATOM 14219 O O . PRO D 4 37 ? -35.285 -3.004 23.356 1.00 65.19 ? 35 PRO D O 1 ATOM 14220 C CB . PRO D 4 37 ? -38.279 -2.640 21.724 1.00 74.69 ? 35 PRO D CB 1 ATOM 14221 C CG . PRO D 4 37 ? -38.734 -3.911 22.322 1.00 74.41 ? 35 PRO D CG 1 ATOM 14222 C CD . PRO D 4 37 ? -37.891 -4.995 21.710 1.00 69.81 ? 35 PRO D CD 1 ATOM 14223 N N . THR D 4 38 ? -35.989 -0.947 22.781 1.00 81.44 ? 36 THR D N 1 ATOM 14224 C CA . THR D 4 38 ? -35.195 -0.286 23.808 1.00 82.28 ? 36 THR D CA 1 ATOM 14225 C C . THR D 4 38 ? -35.736 -0.650 25.183 1.00 84.08 ? 36 THR D C 1 ATOM 14226 O O . THR D 4 38 ? -36.925 -0.466 25.460 1.00 90.98 ? 36 THR D O 1 ATOM 14227 C CB . THR D 4 38 ? -35.215 1.227 23.614 1.00 90.93 ? 36 THR D CB 1 ATOM 14228 O OG1 . THR D 4 38 ? -34.848 1.551 22.265 1.00 93.73 ? 36 THR D OG1 1 ATOM 14229 C CG2 . THR D 4 38 ? -34.240 1.891 24.573 1.00 89.51 ? 36 THR D CG2 1 ATOM 14230 N N . GLY D 4 39 ? -34.865 -1.167 26.044 1.00 81.00 ? 37 GLY D N 1 ATOM 14231 C CA . GLY D 4 39 ? -35.254 -1.571 27.378 1.00 79.65 ? 37 GLY D CA 1 ATOM 14232 C C . GLY D 4 39 ? -35.332 -3.065 27.599 1.00 75.19 ? 37 GLY D C 1 ATOM 14233 O O . GLY D 4 39 ? -35.640 -3.488 28.719 1.00 78.44 ? 37 GLY D O 1 ATOM 14234 N N . CYS D 4 40 ? -35.078 -3.880 26.584 1.00 70.73 ? 38 CYS D N 1 ATOM 14235 C CA . CYS D 4 40 ? -35.087 -5.324 26.733 1.00 75.37 ? 38 CYS D CA 1 ATOM 14236 C C . CYS D 4 40 ? -33.696 -5.874 26.467 1.00 72.63 ? 38 CYS D C 1 ATOM 14237 O O . CYS D 4 40 ? -32.782 -5.158 26.050 1.00 71.84 ? 38 CYS D O 1 ATOM 14238 C CB . CYS D 4 40 ? -36.085 -5.994 25.783 1.00 85.55 ? 38 CYS D CB 1 ATOM 14239 S SG . CYS D 4 40 ? -37.535 -5.027 25.365 1.00 100.77 ? 38 CYS D SG 1 ATOM 14240 N N . LEU D 4 41 ? -33.550 -7.169 26.707 1.00 70.79 ? 39 LEU D N 1 ATOM 14241 C CA . LEU D 4 41 ? -32.320 -7.876 26.408 1.00 66.94 ? 39 LEU D CA 1 ATOM 14242 C C . LEU D 4 41 ? -32.667 -9.158 25.674 1.00 65.78 ? 39 LEU D C 1 ATOM 14243 O O . LEU D 4 41 ? -33.644 -9.833 26.009 1.00 65.25 ? 39 LEU D O 1 ATOM 14244 C CB . LEU D 4 41 ? -31.526 -8.186 27.681 1.00 64.02 ? 39 LEU D CB 1 ATOM 14245 C CG . LEU D 4 41 ? -30.182 -8.879 27.458 1.00 57.45 ? 39 LEU D CG 1 ATOM 14246 C CD1 . LEU D 4 41 ? -29.298 -8.035 26.548 1.00 51.02 ? 39 LEU D CD1 1 ATOM 14247 C CD2 . LEU D 4 41 ? -29.493 -9.165 28.784 1.00 52.01 ? 39 LEU D CD2 1 ATOM 14248 N N . CYS D 4 42 ? -31.873 -9.480 24.661 1.00 66.09 ? 40 CYS D N 1 ATOM 14249 C CA . CYS D 4 42 ? -32.077 -10.692 23.886 1.00 63.71 ? 40 CYS D CA 1 ATOM 14250 C C . CYS D 4 42 ? -31.351 -11.845 24.564 1.00 58.02 ? 40 CYS D C 1 ATOM 14251 O O . CYS D 4 42 ? -30.128 -11.802 24.730 1.00 59.76 ? 40 CYS D O 1 ATOM 14252 C CB . CYS D 4 42 ? -31.578 -10.516 22.456 1.00 58.41 ? 40 CYS D CB 1 ATOM 14253 S SG . CYS D 4 42 ? -31.838 -11.981 21.448 1.00 61.13 ? 40 CYS D SG 1 ATOM 14254 N N . VAL D 4 43 ? -32.101 -12.870 24.950 1.00 54.87 ? 41 VAL D N 1 ATOM 14255 C CA . VAL D 4 43 ? -31.539 -14.079 25.537 1.00 55.54 ? 41 VAL D CA 1 ATOM 14256 C C . VAL D 4 43 ? -31.639 -15.196 24.509 1.00 55.31 ? 41 VAL D C 1 ATOM 14257 O O . VAL D 4 43 ? -32.731 -15.489 23.999 1.00 56.09 ? 41 VAL D O 1 ATOM 14258 C CB . VAL D 4 43 ? -32.247 -14.466 26.841 1.00 57.60 ? 41 VAL D CB 1 ATOM 14259 C CG1 . VAL D 4 43 ? -31.726 -15.805 27.330 1.00 55.78 ? 41 VAL D CG1 1 ATOM 14260 C CG2 . VAL D 4 43 ? -32.038 -13.389 27.893 1.00 58.79 ? 41 VAL D CG2 1 ATOM 14261 N N . ILE D 4 44 ? -30.495 -15.808 24.208 1.00 53.40 ? 42 ILE D N 1 ATOM 14262 C CA . ILE D 4 44 ? -30.385 -16.929 23.282 1.00 50.83 ? 42 ILE D CA 1 ATOM 14263 C C . ILE D 4 44 ? -30.128 -18.186 24.103 1.00 52.01 ? 42 ILE D C 1 ATOM 14264 O O . ILE D 4 44 ? -29.142 -18.260 24.847 1.00 49.20 ? 42 ILE D O 1 ATOM 14265 C CB . ILE D 4 44 ? -29.257 -16.715 22.261 1.00 44.84 ? 42 ILE D CB 1 ATOM 14266 C CG1 . ILE D 4 44 ? -29.471 -15.429 21.461 1.00 43.89 ? 42 ILE D CG1 1 ATOM 14267 C CG2 . ILE D 4 44 ? -29.140 -17.925 21.346 1.00 44.91 ? 42 ILE D CG2 1 ATOM 14268 C CD1 . ILE D 4 44 ? -30.506 -15.546 20.381 1.00 47.92 ? 42 ILE D CD1 1 ATOM 14269 N N . ARG D 4 45 ? -31.001 -19.179 23.959 1.00 54.28 ? 43 ARG D N 1 ATOM 14270 C CA . ARG D 4 45 ? -30.881 -20.424 24.702 1.00 55.88 ? 43 ARG D CA 1 ATOM 14271 C C . ARG D 4 45 ? -30.107 -21.492 23.939 1.00 62.68 ? 43 ARG D C 1 ATOM 14272 O O . ARG D 4 45 ? -30.157 -22.668 24.313 1.00 70.30 ? 43 ARG D O 1 ATOM 14273 C CB . ARG D 4 45 ? -32.268 -20.936 25.087 1.00 52.48 ? 43 ARG D CB 1 ATOM 14274 C CG . ARG D 4 45 ? -33.036 -19.947 25.945 1.00 56.28 ? 43 ARG D CG 1 ATOM 14275 C CD . ARG D 4 45 ? -34.428 -20.442 26.271 1.00 69.59 ? 43 ARG D CD 1 ATOM 14276 N NE . ARG D 4 45 ? -35.180 -19.453 27.037 1.00 80.64 ? 43 ARG D NE 1 ATOM 14277 C CZ . ARG D 4 45 ? -35.151 -19.356 28.363 1.00 86.42 ? 43 ARG D CZ 1 ATOM 14278 N NH1 . ARG D 4 45 ? -34.406 -20.190 29.077 1.00 85.50 ? 43 ARG D NH1 1 ATOM 14279 N NH2 . ARG D 4 45 ? -35.868 -18.424 28.974 1.00 88.94 ? 43 ARG D NH2 1 ATOM 14280 N N . GLU D 4 46 ? -29.393 -21.109 22.896 1.00 62.43 ? 44 GLU D N 1 ATOM 14281 C CA . GLU D 4 46 ? -28.576 -22.008 22.101 1.00 61.30 ? 44 GLU D CA 1 ATOM 14282 C C . GLU D 4 46 ? -27.132 -21.972 22.577 1.00 52.70 ? 44 GLU D C 1 ATOM 14283 O O . GLU D 4 46 ? -26.730 -21.063 23.309 1.00 50.92 ? 44 GLU D O 1 ATOM 14284 C CB . GLU D 4 46 ? -28.647 -21.613 20.618 1.00 66.58 ? 44 GLU D CB 1 ATOM 14285 C CG . GLU D 4 46 ? -30.051 -21.636 20.026 1.00 73.50 ? 44 GLU D CG 1 ATOM 14286 C CD . GLU D 4 46 ? -30.656 -23.024 20.018 1.00 82.05 ? 44 GLU D CD 1 ATOM 14287 O OE1 . GLU D 4 46 ? -29.897 -24.000 19.842 1.00 84.29 ? 44 GLU D OE1 1 ATOM 14288 O OE2 . GLU D 4 46 ? -31.887 -23.142 20.195 1.00 87.37 ? 44 GLU D OE2 1 ATOM 14289 N N . PRO D 4 47 ? -26.320 -22.960 22.200 1.00 51.64 ? 45 PRO D N 1 ATOM 14290 C CA . PRO D 4 47 ? -24.887 -22.878 22.494 1.00 47.11 ? 45 PRO D CA 1 ATOM 14291 C C . PRO D 4 47 ? -24.252 -21.687 21.794 1.00 52.46 ? 45 PRO D C 1 ATOM 14292 O O . PRO D 4 47 ? -24.773 -21.151 20.813 1.00 60.34 ? 45 PRO D O 1 ATOM 14293 C CB . PRO D 4 47 ? -24.336 -24.203 21.959 1.00 42.81 ? 45 PRO D CB 1 ATOM 14294 C CG . PRO D 4 47 ? -25.493 -25.124 22.001 1.00 42.26 ? 45 PRO D CG 1 ATOM 14295 C CD . PRO D 4 47 ? -26.686 -24.280 21.659 1.00 51.77 ? 45 PRO D CD 1 ATOM 14296 N N . ASP D 4 48 ? -23.095 -21.279 22.315 1.00 50.00 ? 46 ASP D N 1 ATOM 14297 C CA . ASP D 4 48 ? -22.443 -20.067 21.835 1.00 47.22 ? 46 ASP D CA 1 ATOM 14298 C C . ASP D 4 48 ? -21.952 -20.181 20.395 1.00 50.96 ? 46 ASP D C 1 ATOM 14299 O O . ASP D 4 48 ? -21.756 -19.152 19.743 1.00 55.93 ? 46 ASP D O 1 ATOM 14300 C CB . ASP D 4 48 ? -21.271 -19.709 22.749 1.00 49.99 ? 46 ASP D CB 1 ATOM 14301 C CG . ASP D 4 48 ? -21.699 -19.464 24.187 1.00 54.48 ? 46 ASP D CG 1 ATOM 14302 O OD1 . ASP D 4 48 ? -22.884 -19.135 24.421 1.00 61.13 ? 46 ASP D OD1 1 ATOM 14303 O OD2 . ASP D 4 48 ? -20.839 -19.591 25.083 1.00 53.68 ? 46 ASP D OD2 1 ATOM 14304 N N . ASN D 4 49 ? -21.750 -21.391 19.878 1.00 46.67 ? 47 ASN D N 1 ATOM 14305 C CA . ASN D 4 49 ? -21.198 -21.553 18.539 1.00 42.97 ? 47 ASN D CA 1 ATOM 14306 C C . ASN D 4 49 ? -22.265 -21.611 17.450 1.00 46.14 ? 47 ASN D C 1 ATOM 14307 O O . ASN D 4 49 ? -21.924 -21.824 16.281 1.00 44.18 ? 47 ASN D O 1 ATOM 14308 C CB . ASN D 4 49 ? -20.330 -22.811 18.476 1.00 40.76 ? 47 ASN D CB 1 ATOM 14309 C CG . ASN D 4 49 ? -21.146 -24.077 18.576 1.00 46.97 ? 47 ASN D CG 1 ATOM 14310 O OD1 . ASN D 4 49 ? -22.241 -24.083 19.141 1.00 51.06 ? 47 ASN D OD1 1 ATOM 14311 N ND2 . ASN D 4 49 ? -20.619 -25.161 18.027 1.00 46.89 ? 47 ASN D ND2 1 ATOM 14312 N N . VAL D 4 50 ? -23.536 -21.428 17.797 1.00 48.89 ? 48 VAL D N 1 ATOM 14313 C CA . VAL D 4 50 ? -24.613 -21.409 16.811 1.00 55.35 ? 48 VAL D CA 1 ATOM 14314 C C . VAL D 4 50 ? -24.702 -19.999 16.231 1.00 60.96 ? 48 VAL D C 1 ATOM 14315 O O . VAL D 4 50 ? -25.097 -19.056 16.921 1.00 61.78 ? 48 VAL D O 1 ATOM 14316 C CB . VAL D 4 50 ? -25.947 -21.843 17.425 1.00 52.32 ? 48 VAL D CB 1 ATOM 14317 C CG1 . VAL D 4 50 ? -27.060 -21.773 16.387 1.00 49.92 ? 48 VAL D CG1 1 ATOM 14318 C CG2 . VAL D 4 50 ? -25.827 -23.247 17.990 1.00 51.50 ? 48 VAL D CG2 1 ATOM 14319 N N . ASP D 4 51 ? -24.344 -19.858 14.952 1.00 64.73 ? 49 ASP D N 1 ATOM 14320 C CA . ASP D 4 51 ? -24.287 -18.538 14.329 1.00 64.07 ? 49 ASP D CA 1 ATOM 14321 C C . ASP D 4 51 ? -25.678 -17.936 14.174 1.00 54.40 ? 49 ASP D C 1 ATOM 14322 O O . ASP D 4 51 ? -25.958 -16.846 14.684 1.00 56.23 ? 49 ASP D O 1 ATOM 14323 C CB . ASP D 4 51 ? -23.586 -18.631 12.972 1.00 70.72 ? 49 ASP D CB 1 ATOM 14324 C CG . ASP D 4 51 ? -22.124 -19.005 13.097 1.00 71.42 ? 49 ASP D CG 1 ATOM 14325 O OD1 . ASP D 4 51 ? -21.481 -18.582 14.082 1.00 72.02 ? 49 ASP D OD1 1 ATOM 14326 O OD2 . ASP D 4 51 ? -21.618 -19.720 12.206 1.00 72.92 ? 49 ASP D OD2 1 ATOM 14327 N N . ASN D 4 52 ? -26.562 -18.625 13.460 1.00 49.69 ? 50 ASN D N 1 ATOM 14328 C CA . ASN D 4 52 ? -27.922 -18.148 13.243 1.00 51.74 ? 50 ASN D CA 1 ATOM 14329 C C . ASN D 4 52 ? -28.825 -18.761 14.303 1.00 54.09 ? 50 ASN D C 1 ATOM 14330 O O . ASN D 4 52 ? -29.162 -19.948 14.233 1.00 56.84 ? 50 ASN D O 1 ATOM 14331 C CB . ASN D 4 52 ? -28.401 -18.499 11.838 1.00 51.76 ? 50 ASN D CB 1 ATOM 14332 C CG . ASN D 4 52 ? -27.725 -17.669 10.777 1.00 58.78 ? 50 ASN D CG 1 ATOM 14333 O OD1 . ASN D 4 52 ? -26.752 -16.966 11.049 1.00 59.41 ? 50 ASN D OD1 1 ATOM 14334 N ND2 . ASN D 4 52 ? -28.238 -17.740 9.556 1.00 67.34 ? 50 ASN D ND2 1 ATOM 14335 N N . ALA D 4 53 ? -29.220 -17.954 15.284 1.00 55.14 ? 51 ALA D N 1 ATOM 14336 C CA . ALA D 4 53 ? -30.021 -18.441 16.394 1.00 60.19 ? 51 ALA D CA 1 ATOM 14337 C C . ALA D 4 53 ? -31.190 -17.502 16.645 1.00 60.78 ? 51 ALA D C 1 ATOM 14338 O O . ALA D 4 53 ? -31.178 -16.336 16.247 1.00 59.46 ? 51 ALA D O 1 ATOM 14339 C CB . ALA D 4 53 ? -29.183 -18.586 17.674 1.00 59.09 ? 51 ALA D CB 1 ATOM 14340 N N . ASN D 4 54 ? -32.208 -18.032 17.312 1.00 66.97 ? 52 ASN D N 1 ATOM 14341 C CA . ASN D 4 54 ? -33.364 -17.255 17.728 1.00 68.26 ? 52 ASN D CA 1 ATOM 14342 C C . ASN D 4 54 ? -33.434 -17.225 19.247 1.00 68.71 ? 52 ASN D C 1 ATOM 14343 O O . ASN D 4 54 ? -33.114 -18.215 19.914 1.00 65.92 ? 52 ASN D O 1 ATOM 14344 C CB . ASN D 4 54 ? -34.655 -17.832 17.154 1.00 71.52 ? 52 ASN D CB 1 ATOM 14345 C CG . ASN D 4 54 ? -34.740 -17.668 15.657 1.00 75.49 ? 52 ASN D CG 1 ATOM 14346 O OD1 . ASN D 4 54 ? -35.282 -16.681 15.164 1.00 77.84 ? 52 ASN D OD1 1 ATOM 14347 N ND2 . ASN D 4 54 ? -34.194 -18.628 14.921 1.00 76.00 ? 52 ASN D ND2 1 ATOM 14348 N N . GLY D 4 55 ? -33.840 -16.080 19.785 1.00 64.40 ? 53 GLY D N 1 ATOM 14349 C CA . GLY D 4 55 ? -33.994 -15.920 21.215 1.00 59.02 ? 53 GLY D CA 1 ATOM 14350 C C . GLY D 4 55 ? -35.215 -15.098 21.563 1.00 62.26 ? 53 GLY D C 1 ATOM 14351 O O . GLY D 4 55 ? -35.988 -14.720 20.674 1.00 64.94 ? 53 GLY D O 1 ATOM 14352 N N . THR D 4 56 ? -35.404 -14.808 22.849 1.00 54.29 ? 54 THR D N 1 ATOM 14353 C CA . THR D 4 56 ? -36.539 -14.011 23.287 1.00 57.70 ? 54 THR D CA 1 ATOM 14354 C C . THR D 4 56 ? -36.047 -12.820 24.095 1.00 64.93 ? 54 THR D C 1 ATOM 14355 O O . THR D 4 56 ? -34.974 -12.862 24.701 1.00 63.66 ? 54 THR D O 1 ATOM 14356 C CB . THR D 4 56 ? -37.535 -14.836 24.114 1.00 65.43 ? 54 THR D CB 1 ATOM 14357 O OG1 . THR D 4 56 ? -36.851 -15.482 25.191 1.00 67.72 ? 54 THR D OG1 1 ATOM 14358 C CG2 . THR D 4 56 ? -38.195 -15.890 23.246 1.00 62.06 ? 54 THR D CG2 1 ATOM 14359 N N . CYS D 4 57 ? -36.839 -11.752 24.085 1.00 66.77 ? 55 CYS D N 1 ATOM 14360 C CA . CYS D 4 57 ? -36.500 -10.526 24.790 1.00 66.55 ? 55 CYS D CA 1 ATOM 14361 C C . CYS D 4 57 ? -37.055 -10.561 26.204 1.00 72.04 ? 55 CYS D C 1 ATOM 14362 O O . CYS D 4 57 ? -38.161 -11.056 26.439 1.00 76.68 ? 55 CYS D O 1 ATOM 14363 C CB . CYS D 4 57 ? -37.055 -9.303 24.055 1.00 70.92 ? 55 CYS D CB 1 ATOM 14364 S SG . CYS D 4 57 ? -36.567 -9.191 22.329 1.00 69.48 ? 55 CYS D SG 1 ATOM 14365 N N . TYR D 4 58 ? -36.286 -10.015 27.143 1.00 71.34 ? 56 TYR D N 1 ATOM 14366 C CA . TYR D 4 58 ? -36.697 -9.923 28.534 1.00 69.18 ? 56 TYR D CA 1 ATOM 14367 C C . TYR D 4 58 ? -36.574 -8.486 29.018 1.00 64.34 ? 56 TYR D C 1 ATOM 14368 O O . TYR D 4 58 ? -35.685 -7.740 28.597 1.00 62.75 ? 56 TYR D O 1 ATOM 14369 C CB . TYR D 4 58 ? -35.870 -10.850 29.422 1.00 65.03 ? 56 TYR D CB 1 ATOM 14370 C CG . TYR D 4 58 ? -36.220 -12.309 29.261 1.00 65.54 ? 56 TYR D CG 1 ATOM 14371 C CD1 . TYR D 4 58 ? -35.641 -13.078 28.261 1.00 60.44 ? 56 TYR D CD1 1 ATOM 14372 C CD2 . TYR D 4 58 ? -37.135 -12.918 30.109 1.00 72.97 ? 56 TYR D CD2 1 ATOM 14373 C CE1 . TYR D 4 58 ? -35.962 -14.414 28.112 1.00 56.86 ? 56 TYR D CE1 1 ATOM 14374 C CE2 . TYR D 4 58 ? -37.461 -14.252 29.968 1.00 75.66 ? 56 TYR D CE2 1 ATOM 14375 C CZ . TYR D 4 58 ? -36.871 -14.995 28.968 1.00 59.51 ? 56 TYR D CZ 1 ATOM 14376 O OH . TYR D 4 58 ? -37.192 -16.323 28.824 1.00 69.49 ? 56 TYR D OH 1 ATOM 14377 N N . ALA D 4 59 ? -37.478 -8.107 29.914 1.00 68.28 ? 57 ALA D N 1 ATOM 14378 C CA . ALA D 4 59 ? -37.516 -6.736 30.397 1.00 74.60 ? 57 ALA D CA 1 ATOM 14379 C C . ALA D 4 59 ? -36.326 -6.451 31.304 1.00 75.75 ? 57 ALA D C 1 ATOM 14380 O O . ALA D 4 59 ? -36.085 -7.165 32.283 1.00 74.05 ? 57 ALA D O 1 ATOM 14381 C CB . ALA D 4 59 ? -38.828 -6.473 31.133 1.00 76.20 ? 57 ALA D CB 1 ATOM 14382 N N . LEU D 4 60 ? -35.579 -5.405 30.967 1.00 73.27 ? 58 LEU D N 1 ATOM 14383 C CA . LEU D 4 60 ? -34.479 -4.911 31.779 1.00 71.83 ? 58 LEU D CA 1 ATOM 14384 C C . LEU D 4 60 ? -34.991 -3.958 32.856 1.00 82.79 ? 58 LEU D C 1 ATOM 14385 O O . LEU D 4 60 ? -36.035 -3.318 32.711 1.00 88.92 ? 58 LEU D O 1 ATOM 14386 C CB . LEU D 4 60 ? -33.454 -4.193 30.904 1.00 66.65 ? 58 LEU D CB 1 ATOM 14387 C CG . LEU D 4 60 ? -32.084 -4.836 30.724 1.00 64.60 ? 58 LEU D CG 1 ATOM 14388 C CD1 . LEU D 4 60 ? -32.179 -6.335 30.892 1.00 65.34 ? 58 LEU D CD1 1 ATOM 14389 C CD2 . LEU D 4 60 ? -31.554 -4.487 29.347 1.00 57.06 ? 58 LEU D CD2 1 ATOM 14390 N N . MET D 4 61 ? -34.230 -3.860 33.944 1.00 87.40 ? 59 MET D N 1 ATOM 14391 C CA . MET D 4 61 ? -34.585 -2.944 35.015 1.00 97.78 ? 59 MET D CA 1 ATOM 14392 C C . MET D 4 61 ? -34.330 -1.499 34.588 1.00 117.16 ? 59 MET D C 1 ATOM 14393 O O . MET D 4 61 ? -33.793 -1.219 33.512 1.00 116.36 ? 59 MET D O 1 ATOM 14394 C CB . MET D 4 61 ? -33.798 -3.274 36.281 1.00 90.55 ? 59 MET D CB 1 ATOM 14395 C CG . MET D 4 61 ? -34.131 -4.630 36.877 1.00 87.16 ? 59 MET D CG 1 ATOM 14396 S SD . MET D 4 61 ? -35.683 -4.649 37.797 1.00 90.10 ? 59 MET D SD 1 ATOM 14397 C CE . MET D 4 61 ? -35.262 -3.631 39.210 1.00 92.30 ? 59 MET D CE 1 ATOM 14398 N N . SER D 4 62 ? -34.725 -0.572 35.452 1.00 60.12 ? 60 SER D N 1 ATOM 14399 C CA . SER D 4 62 ? -34.561 0.850 35.173 1.00 75.98 ? 60 SER D CA 1 ATOM 14400 C C . SER D 4 62 ? -34.517 1.661 36.465 1.00 81.25 ? 60 SER D C 1 ATOM 14401 O O . SER D 4 62 ? -34.373 2.884 36.439 1.00 86.05 ? 60 SER D O 1 ATOM 14402 C CB . SER D 4 62 ? -35.692 1.351 34.266 1.00 82.94 ? 60 SER D CB 1 ATOM 14403 O OG . SER D 4 62 ? -36.966 1.078 34.830 1.00 87.21 ? 60 SER D OG 1 HETATM 14404 C C1 . EDO E 5 . ? -6.559 -21.553 8.239 1.00 88.83 ? 701 EDO B C1 1 HETATM 14405 O O1 . EDO E 5 . ? -7.838 -22.055 7.834 1.00 90.25 ? 701 EDO B O1 1 HETATM 14406 C C2 . EDO E 5 . ? -5.756 -21.078 7.031 1.00 89.66 ? 701 EDO B C2 1 HETATM 14407 O O2 . EDO E 5 . ? -6.357 -19.910 6.460 1.00 89.85 ? 701 EDO B O2 1 HETATM 14408 C C1 . EDO F 5 . ? -2.272 -28.870 15.015 1.00 82.33 ? 702 EDO B C1 1 HETATM 14409 O O1 . EDO F 5 . ? -2.516 -29.883 14.032 1.00 82.99 ? 702 EDO B O1 1 HETATM 14410 C C2 . EDO F 5 . ? -1.044 -29.226 15.851 1.00 80.91 ? 702 EDO B C2 1 HETATM 14411 O O2 . EDO F 5 . ? 0.160 -29.205 15.075 1.00 81.03 ? 702 EDO B O2 1 HETATM 14412 C C1 . NAG G 6 . ? 23.349 -39.748 45.189 1.00 51.55 ? 2001 NAG A C1 1 HETATM 14413 C C2 . NAG G 6 . ? 24.339 -39.415 46.312 1.00 59.41 ? 2001 NAG A C2 1 HETATM 14414 C C3 . NAG G 6 . ? 24.548 -37.902 46.424 1.00 66.34 ? 2001 NAG A C3 1 HETATM 14415 C C4 . NAG G 6 . ? 24.895 -37.297 45.068 1.00 73.90 ? 2001 NAG A C4 1 HETATM 14416 C C5 . NAG G 6 . ? 23.834 -37.692 44.047 1.00 67.65 ? 2001 NAG A C5 1 HETATM 14417 C C6 . NAG G 6 . ? 24.133 -37.198 42.651 1.00 68.74 ? 2001 NAG A C6 1 HETATM 14418 C C7 . NAG G 6 . ? 24.428 -41.025 48.168 1.00 67.93 ? 2001 NAG A C7 1 HETATM 14419 C C8 . NAG G 6 . ? 23.815 -41.448 49.469 1.00 67.61 ? 2001 NAG A C8 1 HETATM 14420 N N2 . NAG G 6 . ? 23.875 -39.959 47.579 1.00 61.62 ? 2001 NAG A N2 1 HETATM 14421 O O3 . NAG G 6 . ? 25.601 -37.651 47.346 1.00 67.16 ? 2001 NAG A O3 1 HETATM 14422 O O4 . NAG G 6 . ? 24.977 -35.878 45.154 1.00 82.52 ? 2001 NAG A O4 1 HETATM 14423 O O5 . NAG G 6 . ? 23.765 -39.121 43.974 1.00 57.39 ? 2001 NAG A O5 1 HETATM 14424 O O6 . NAG G 6 . ? 25.489 -37.436 42.301 1.00 70.53 ? 2001 NAG A O6 1 HETATM 14425 O O7 . NAG G 6 . ? 25.383 -41.618 47.676 1.00 73.71 ? 2001 NAG A O7 1 HETATM 14426 C C1 . NAG H 6 . ? 26.330 -35.440 44.894 1.00 88.56 ? 2002 NAG A C1 1 HETATM 14427 C C2 . NAG H 6 . ? 26.359 -33.920 44.728 1.00 89.37 ? 2002 NAG A C2 1 HETATM 14428 C C3 . NAG H 6 . ? 27.785 -33.443 44.463 1.00 92.25 ? 2002 NAG A C3 1 HETATM 14429 C C4 . NAG H 6 . ? 28.721 -33.944 45.556 1.00 93.54 ? 2002 NAG A C4 1 HETATM 14430 C C5 . NAG H 6 . ? 28.606 -35.462 45.682 1.00 96.77 ? 2002 NAG A C5 1 HETATM 14431 C C6 . NAG H 6 . ? 29.421 -36.028 46.822 1.00 97.38 ? 2002 NAG A C6 1 HETATM 14432 C C7 . NAG H 6 . ? 24.224 -33.073 43.872 1.00 89.52 ? 2002 NAG A C7 1 HETATM 14433 C C8 . NAG H 6 . ? 23.445 -32.679 42.652 1.00 89.78 ? 2002 NAG A C8 1 HETATM 14434 N N2 . NAG H 6 . ? 25.472 -33.497 43.657 1.00 87.57 ? 2002 NAG A N2 1 HETATM 14435 O O3 . NAG H 6 . ? 27.807 -32.021 44.405 1.00 93.17 ? 2002 NAG A O3 1 HETATM 14436 O O4 . NAG H 6 . ? 30.066 -33.587 45.258 1.00 89.85 ? 2002 NAG A O4 1 HETATM 14437 O O5 . NAG H 6 . ? 27.240 -35.831 45.930 1.00 94.57 ? 2002 NAG A O5 1 HETATM 14438 O O6 . NAG H 6 . ? 29.205 -37.424 46.970 1.00 96.30 ? 2002 NAG A O6 1 HETATM 14439 O O7 . NAG H 6 . ? 23.744 -33.009 45.001 1.00 90.01 ? 2002 NAG A O7 1 HETATM 14440 C C1 . EDO I 5 . ? -20.171 -18.217 31.732 1.00 44.45 ? 2003 EDO A C1 1 HETATM 14441 O O1 . EDO I 5 . ? -20.353 -19.276 30.793 1.00 51.94 ? 2003 EDO A O1 1 HETATM 14442 C C2 . EDO I 5 . ? -18.972 -17.417 31.259 1.00 45.63 ? 2003 EDO A C2 1 HETATM 14443 O O2 . EDO I 5 . ? -19.070 -16.083 31.761 1.00 40.79 ? 2003 EDO A O2 1 HETATM 14444 C C1 . EDO J 5 . ? -28.856 -28.205 62.829 1.00 67.87 ? 2004 EDO A C1 1 HETATM 14445 O O1 . EDO J 5 . ? -30.279 -28.043 62.728 1.00 65.75 ? 2004 EDO A O1 1 HETATM 14446 C C2 . EDO J 5 . ? -28.184 -26.837 62.763 1.00 69.33 ? 2004 EDO A C2 1 HETATM 14447 O O2 . EDO J 5 . ? -26.762 -26.971 62.863 1.00 68.56 ? 2004 EDO A O2 1 HETATM 14448 C C1 . EDO K 5 . ? -15.015 -18.376 32.725 1.00 81.89 ? 2005 EDO A C1 1 HETATM 14449 O O1 . EDO K 5 . ? -16.225 -17.784 33.204 1.00 81.08 ? 2005 EDO A O1 1 HETATM 14450 C C2 . EDO K 5 . ? -13.938 -17.307 32.587 1.00 83.12 ? 2005 EDO A C2 1 HETATM 14451 O O2 . EDO K 5 . ? -12.738 -17.923 32.107 1.00 84.28 ? 2005 EDO A O2 1 HETATM 14452 N N . CYS L 7 . ? -18.101 -51.349 34.342 1.00 119.90 ? 2006 CYS A N 1 HETATM 14453 C CA . CYS L 7 . ? -18.189 -52.506 33.457 1.00 120.39 ? 2006 CYS A CA 1 HETATM 14454 C C . CYS L 7 . ? -18.076 -52.094 31.994 1.00 117.39 ? 2006 CYS A C 1 HETATM 14455 O O . CYS L 7 . ? -18.781 -51.197 31.535 1.00 115.40 ? 2006 CYS A O 1 HETATM 14456 C CB . CYS L 7 . ? -19.499 -53.257 33.694 1.00 124.28 ? 2006 CYS A CB 1 HETATM 14457 S SG . CYS L 7 . ? -20.901 -52.175 34.049 1.00 129.18 ? 2006 CYS A SG 1 HETATM 14458 C C1 . DIO M 8 . ? -18.653 -10.164 47.079 1.00 78.59 ? 2007 DIO A C1 1 HETATM 14459 C C2 . DIO M 8 . ? -16.468 -9.504 47.541 1.00 78.73 ? 2007 DIO A C2 1 HETATM 14460 C "C1'" . DIO M 8 . ? -18.671 -9.272 45.841 1.00 74.58 ? 2007 DIO A "C1'" 1 HETATM 14461 C "C2'" . DIO M 8 . ? -16.487 -8.618 46.297 1.00 75.38 ? 2007 DIO A "C2'" 1 HETATM 14462 O O1 . DIO M 8 . ? -17.752 -9.717 48.054 1.00 79.13 ? 2007 DIO A O1 1 HETATM 14463 O "O1'" . DIO M 8 . ? -17.386 -9.078 45.328 1.00 73.96 ? 2007 DIO A "O1'" 1 HETATM 14464 C C1 . EDO N 5 . ? -11.144 -15.315 78.365 1.00 60.57 ? 201 EDO C C1 1 HETATM 14465 O O1 . EDO N 5 . ? -11.962 -16.307 77.733 1.00 59.27 ? 201 EDO C O1 1 HETATM 14466 C C2 . EDO N 5 . ? -10.365 -14.526 77.316 1.00 61.82 ? 201 EDO C C2 1 HETATM 14467 O O2 . EDO N 5 . ? -11.269 -13.861 76.427 1.00 60.70 ? 201 EDO C O2 1 HETATM 14468 C C1 . EDO O 5 . ? -26.274 -12.661 23.114 1.00 73.21 ? 101 EDO D C1 1 HETATM 14469 O O1 . EDO O 5 . ? -27.578 -12.285 22.656 1.00 70.83 ? 101 EDO D O1 1 HETATM 14470 C C2 . EDO O 5 . ? -25.915 -14.047 22.590 1.00 75.84 ? 101 EDO D C2 1 HETATM 14471 O O2 . EDO O 5 . ? -25.879 -14.029 21.157 1.00 79.40 ? 101 EDO D O2 1 HETATM 14472 O O . HOH P 9 . ? -9.800 -20.056 -19.575 1.00 41.57 ? 801 HOH B O 1 HETATM 14473 O O . HOH P 9 . ? -7.346 -17.823 6.626 1.00 69.02 ? 802 HOH B O 1 HETATM 14474 O O . HOH P 9 . ? -13.836 -15.177 -30.400 1.00 50.35 ? 803 HOH B O 1 HETATM 14475 O O . HOH P 9 . ? -8.390 -22.639 -9.433 1.00 47.11 ? 804 HOH B O 1 HETATM 14476 O O . HOH P 9 . ? -15.634 -26.070 15.197 1.00 40.08 ? 805 HOH B O 1 HETATM 14477 O O . HOH P 9 . ? -9.543 -35.889 -14.846 1.00 53.96 ? 806 HOH B O 1 HETATM 14478 O O . HOH P 9 . ? -8.449 -14.662 1.384 1.00 42.37 ? 807 HOH B O 1 HETATM 14479 O O . HOH P 9 . ? -0.336 -33.910 25.366 1.00 72.80 ? 808 HOH B O 1 HETATM 14480 O O . HOH P 9 . ? -16.577 -13.560 -18.852 1.00 45.61 ? 809 HOH B O 1 HETATM 14481 O O . HOH P 9 . ? -9.358 -2.991 -3.406 1.00 45.93 ? 810 HOH B O 1 HETATM 14482 O O . HOH P 9 . ? -4.149 -4.286 6.506 1.00 46.87 ? 811 HOH B O 1 HETATM 14483 O O . HOH P 9 . ? -1.924 -9.332 11.216 1.00 50.85 ? 812 HOH B O 1 HETATM 14484 O O . HOH P 9 . ? -19.590 -29.989 29.753 1.00 33.62 ? 813 HOH B O 1 HETATM 14485 O O . HOH P 9 . ? -18.732 -23.168 -27.578 1.00 50.60 ? 814 HOH B O 1 HETATM 14486 O O . HOH P 9 . ? -10.411 -21.134 -8.003 1.00 64.84 ? 815 HOH B O 1 HETATM 14487 O O . HOH P 9 . ? -6.900 -47.477 -6.244 1.00 68.30 ? 816 HOH B O 1 HETATM 14488 O O . HOH P 9 . ? -11.867 -10.906 9.720 1.00 29.15 ? 817 HOH B O 1 HETATM 14489 O O . HOH P 9 . ? -20.546 -3.139 -18.871 1.00 53.30 ? 818 HOH B O 1 HETATM 14490 O O . HOH P 9 . ? 8.838 -39.997 20.585 1.00 50.93 ? 819 HOH B O 1 HETATM 14491 O O . HOH P 9 . ? -5.134 -7.406 -10.826 1.00 53.83 ? 820 HOH B O 1 HETATM 14492 O O . HOH P 9 . ? -15.590 -34.175 29.059 1.00 62.21 ? 821 HOH B O 1 HETATM 14493 O O . HOH P 9 . ? -11.866 -14.696 16.874 1.00 36.41 ? 822 HOH B O 1 HETATM 14494 O O . HOH P 9 . ? -8.648 -26.299 36.435 1.00 61.54 ? 823 HOH B O 1 HETATM 14495 O O . HOH P 9 . ? 14.452 -19.254 -2.593 1.00 64.83 ? 824 HOH B O 1 HETATM 14496 O O . HOH P 9 . ? -22.323 -16.157 -10.894 1.00 60.15 ? 825 HOH B O 1 HETATM 14497 O O . HOH P 9 . ? -4.760 -22.634 10.573 1.00 57.16 ? 826 HOH B O 1 HETATM 14498 O O . HOH P 9 . ? -17.068 -32.163 26.288 1.00 44.32 ? 827 HOH B O 1 HETATM 14499 O O . HOH P 9 . ? 7.455 -23.463 14.310 1.00 39.44 ? 828 HOH B O 1 HETATM 14500 O O . HOH P 9 . ? -12.220 -39.207 20.836 1.00 55.86 ? 829 HOH B O 1 HETATM 14501 O O . HOH P 9 . ? -6.938 -12.431 0.132 1.00 53.77 ? 830 HOH B O 1 HETATM 14502 O O . HOH P 9 . ? -7.973 -5.555 9.794 1.00 42.52 ? 831 HOH B O 1 HETATM 14503 O O . HOH P 9 . ? -6.266 -27.883 12.976 1.00 53.46 ? 832 HOH B O 1 HETATM 14504 O O . HOH P 9 . ? -2.033 -18.784 -8.342 1.00 63.08 ? 833 HOH B O 1 HETATM 14505 O O . HOH P 9 . ? -15.969 -16.590 -29.101 1.00 52.96 ? 834 HOH B O 1 HETATM 14506 O O . HOH P 9 . ? -16.031 -12.343 -16.584 1.00 57.27 ? 835 HOH B O 1 HETATM 14507 O O . HOH P 9 . ? -23.682 -2.456 -3.189 1.00 40.16 ? 836 HOH B O 1 HETATM 14508 O O . HOH P 9 . ? -13.812 -16.793 -12.401 1.00 39.92 ? 837 HOH B O 1 HETATM 14509 O O . HOH P 9 . ? -19.862 -17.372 -22.469 1.00 40.16 ? 838 HOH B O 1 HETATM 14510 O O . HOH P 9 . ? -5.619 -20.112 29.958 1.00 51.85 ? 839 HOH B O 1 HETATM 14511 O O . HOH P 9 . ? -17.246 -2.614 5.725 1.00 85.95 ? 840 HOH B O 1 HETATM 14512 O O . HOH P 9 . ? -8.193 -16.697 4.094 1.00 40.99 ? 841 HOH B O 1 HETATM 14513 O O . HOH P 9 . ? -4.687 -13.443 -2.045 1.00 52.80 ? 842 HOH B O 1 HETATM 14514 O O . HOH P 9 . ? -14.891 -2.854 5.581 1.00 42.83 ? 843 HOH B O 1 HETATM 14515 O O . HOH P 9 . ? -6.944 -15.681 -11.613 1.00 59.16 ? 844 HOH B O 1 HETATM 14516 O O . HOH P 9 . ? -9.883 -31.236 39.169 1.00 44.65 ? 845 HOH B O 1 HETATM 14517 O O . HOH P 9 . ? -10.825 -16.247 5.147 1.00 44.66 ? 846 HOH B O 1 HETATM 14518 O O . HOH P 9 . ? -13.345 -27.135 29.922 1.00 36.18 ? 847 HOH B O 1 HETATM 14519 O O . HOH P 9 . ? -16.242 -34.409 -18.762 1.00 49.27 ? 848 HOH B O 1 HETATM 14520 O O . HOH P 9 . ? -15.672 -18.970 29.754 1.00 47.55 ? 849 HOH B O 1 HETATM 14521 O O . HOH P 9 . ? -17.760 -18.247 -6.692 1.00 51.92 ? 850 HOH B O 1 HETATM 14522 O O . HOH P 9 . ? 7.486 -39.332 24.106 1.00 53.73 ? 851 HOH B O 1 HETATM 14523 O O . HOH P 9 . ? -25.454 -9.006 -27.189 1.00 59.09 ? 852 HOH B O 1 HETATM 14524 O O . HOH P 9 . ? -5.030 -17.451 24.891 1.00 31.23 ? 853 HOH B O 1 HETATM 14525 O O . HOH P 9 . ? -1.574 -5.456 5.185 1.00 43.54 ? 854 HOH B O 1 HETATM 14526 O O . HOH P 9 . ? -16.491 -9.530 -17.605 1.00 57.94 ? 855 HOH B O 1 HETATM 14527 O O . HOH P 9 . ? -2.549 11.353 -17.501 1.00 54.06 ? 856 HOH B O 1 HETATM 14528 O O . HOH P 9 . ? -18.626 -10.369 -15.271 1.00 43.60 ? 857 HOH B O 1 HETATM 14529 O O . HOH P 9 . ? -13.298 -56.083 19.882 1.00 63.18 ? 858 HOH B O 1 HETATM 14530 O O . HOH P 9 . ? 8.491 -9.132 8.336 1.00 50.96 ? 859 HOH B O 1 HETATM 14531 O O . HOH P 9 . ? -18.067 -8.803 -20.312 1.00 56.52 ? 860 HOH B O 1 HETATM 14532 O O . HOH P 9 . ? -14.220 -40.827 33.317 1.00 61.81 ? 861 HOH B O 1 HETATM 14533 O O . HOH P 9 . ? 4.453 -68.450 25.063 1.00 81.95 ? 862 HOH B O 1 HETATM 14534 O O . HOH Q 9 . ? -32.656 -34.275 60.601 1.00 44.36 ? 2101 HOH A O 1 HETATM 14535 O O . HOH Q 9 . ? -26.825 -13.350 73.194 1.00 47.74 ? 2102 HOH A O 1 HETATM 14536 O O . HOH Q 9 . ? 13.754 -31.676 1.530 1.00 89.95 ? 2103 HOH A O 1 HETATM 14537 O O . HOH Q 9 . ? 14.320 -35.529 25.405 1.00 96.58 ? 2104 HOH A O 1 HETATM 14538 O O . HOH Q 9 . ? -12.124 -40.099 39.413 1.00 60.41 ? 2105 HOH A O 1 HETATM 14539 O O . HOH Q 9 . ? -8.642 -35.074 45.558 1.00 41.93 ? 2106 HOH A O 1 HETATM 14540 O O . HOH Q 9 . ? -17.644 -37.130 64.692 1.00 41.84 ? 2107 HOH A O 1 HETATM 14541 O O . HOH Q 9 . ? -22.660 -27.478 57.100 1.00 47.37 ? 2108 HOH A O 1 HETATM 14542 O O . HOH Q 9 . ? -23.770 -23.512 53.147 1.00 48.17 ? 2109 HOH A O 1 HETATM 14543 O O . HOH Q 9 . ? -19.313 -22.120 33.600 1.00 31.38 ? 2110 HOH A O 1 HETATM 14544 O O . HOH Q 9 . ? -28.004 -24.454 25.125 1.00 46.10 ? 2111 HOH A O 1 HETATM 14545 O O . HOH Q 9 . ? -19.885 -30.196 47.001 1.00 36.36 ? 2112 HOH A O 1 HETATM 14546 O O . HOH Q 9 . ? 27.843 -55.372 29.351 1.00 52.08 ? 2113 HOH A O 1 HETATM 14547 O O . HOH Q 9 . ? -14.041 -26.916 32.825 1.00 45.76 ? 2114 HOH A O 1 HETATM 14548 O O . HOH Q 9 . ? -40.086 -14.989 60.080 1.00 44.50 ? 2115 HOH A O 1 HETATM 14549 O O . HOH Q 9 . ? -13.112 -43.010 67.455 1.00 67.13 ? 2116 HOH A O 1 HETATM 14550 O O . HOH Q 9 . ? 12.308 -40.771 44.242 1.00 49.58 ? 2117 HOH A O 1 HETATM 14551 O O . HOH Q 9 . ? -13.455 -30.980 41.852 1.00 36.51 ? 2118 HOH A O 1 HETATM 14552 O O . HOH Q 9 . ? -30.858 -43.894 56.882 1.00 59.56 ? 2119 HOH A O 1 HETATM 14553 O O . HOH Q 9 . ? 5.582 -31.930 22.371 1.00 61.84 ? 2120 HOH A O 1 HETATM 14554 O O . HOH Q 9 . ? 13.416 -24.158 65.784 1.00 55.30 ? 2121 HOH A O 1 HETATM 14555 O O . HOH Q 9 . ? -7.427 -37.003 68.484 1.00 40.09 ? 2122 HOH A O 1 HETATM 14556 O O . HOH Q 9 . ? -2.912 -19.320 43.190 1.00 61.47 ? 2123 HOH A O 1 HETATM 14557 O O . HOH Q 9 . ? 8.504 -27.807 68.593 1.00 66.73 ? 2124 HOH A O 1 HETATM 14558 O O . HOH Q 9 . ? -7.256 -5.532 69.324 1.00 47.91 ? 2125 HOH A O 1 HETATM 14559 O O . HOH Q 9 . ? -6.724 -38.374 51.882 1.00 42.69 ? 2126 HOH A O 1 HETATM 14560 O O . HOH Q 9 . ? 12.598 -44.939 37.592 1.00 50.34 ? 2127 HOH A O 1 HETATM 14561 O O . HOH Q 9 . ? -22.660 -25.003 28.710 1.00 44.08 ? 2128 HOH A O 1 HETATM 14562 O O . HOH Q 9 . ? -20.557 -19.388 27.739 1.00 43.71 ? 2129 HOH A O 1 HETATM 14563 O O . HOH Q 9 . ? -17.601 -8.184 42.869 1.00 57.73 ? 2130 HOH A O 1 HETATM 14564 O O . HOH Q 9 . ? -5.807 -13.886 55.835 1.00 44.76 ? 2131 HOH A O 1 HETATM 14565 O O . HOH Q 9 . ? -17.432 -27.527 68.665 1.00 47.04 ? 2132 HOH A O 1 HETATM 14566 O O . HOH Q 9 . ? -15.771 -28.563 61.535 1.00 36.36 ? 2133 HOH A O 1 HETATM 14567 O O . HOH Q 9 . ? -8.005 -39.727 59.354 1.00 43.70 ? 2134 HOH A O 1 HETATM 14568 O O . HOH Q 9 . ? 1.003 -50.089 55.516 1.00 30.08 ? 2135 HOH A O 1 HETATM 14569 O O . HOH Q 9 . ? 2.554 -48.803 48.438 1.00 44.11 ? 2136 HOH A O 1 HETATM 14570 O O . HOH Q 9 . ? -7.586 -25.190 56.026 1.00 52.25 ? 2137 HOH A O 1 HETATM 14571 O O . HOH Q 9 . ? -20.919 -29.357 63.697 1.00 31.36 ? 2138 HOH A O 1 HETATM 14572 O O . HOH Q 9 . ? -22.157 -39.692 39.844 1.00 51.13 ? 2139 HOH A O 1 HETATM 14573 O O . HOH Q 9 . ? -22.949 -22.491 25.256 1.00 39.55 ? 2140 HOH A O 1 HETATM 14574 O O . HOH Q 9 . ? -23.260 -20.010 32.788 1.00 46.91 ? 2141 HOH A O 1 HETATM 14575 O O . HOH Q 9 . ? -12.253 -41.073 65.247 1.00 30.67 ? 2142 HOH A O 1 HETATM 14576 O O . HOH Q 9 . ? -32.521 -10.324 49.089 1.00 43.32 ? 2143 HOH A O 1 HETATM 14577 O O . HOH Q 9 . ? 2.454 -25.430 70.686 1.00 48.77 ? 2144 HOH A O 1 HETATM 14578 O O . HOH Q 9 . ? -11.490 -28.032 36.298 1.00 45.78 ? 2145 HOH A O 1 HETATM 14579 O O . HOH Q 9 . ? 13.339 -56.724 71.142 1.00 51.11 ? 2146 HOH A O 1 HETATM 14580 O O . HOH Q 9 . ? -38.339 -43.257 33.143 1.00 72.05 ? 2147 HOH A O 1 HETATM 14581 O O . HOH Q 9 . ? -29.598 -42.184 53.666 1.00 63.73 ? 2148 HOH A O 1 HETATM 14582 O O . HOH Q 9 . ? 25.822 -54.739 22.791 1.00 53.37 ? 2149 HOH A O 1 HETATM 14583 O O . HOH Q 9 . ? -1.986 -41.194 54.919 1.00 46.79 ? 2150 HOH A O 1 HETATM 14584 O O . HOH Q 9 . ? -12.602 -45.910 65.853 1.00 45.34 ? 2151 HOH A O 1 HETATM 14585 O O . HOH Q 9 . ? -20.124 -57.194 58.484 1.00 68.29 ? 2152 HOH A O 1 HETATM 14586 O O . HOH Q 9 . ? -15.086 -33.081 45.871 1.00 39.14 ? 2153 HOH A O 1 HETATM 14587 O O . HOH Q 9 . ? -19.526 -28.165 61.470 1.00 44.30 ? 2154 HOH A O 1 HETATM 14588 O O . HOH Q 9 . ? -0.724 -18.520 54.016 1.00 54.70 ? 2155 HOH A O 1 HETATM 14589 O O . HOH Q 9 . ? -40.602 -22.186 38.769 1.00 56.11 ? 2156 HOH A O 1 HETATM 14590 O O . HOH Q 9 . ? -15.625 -52.450 63.191 1.00 50.26 ? 2157 HOH A O 1 HETATM 14591 O O . HOH Q 9 . ? -4.189 -10.329 32.139 1.00 49.45 ? 2158 HOH A O 1 HETATM 14592 O O . HOH Q 9 . ? 10.105 -56.118 35.111 1.00 44.50 ? 2159 HOH A O 1 HETATM 14593 O O . HOH Q 9 . ? -32.016 -2.132 59.831 1.00 66.08 ? 2160 HOH A O 1 HETATM 14594 O O . HOH Q 9 . ? -3.681 -13.273 58.098 1.00 45.62 ? 2161 HOH A O 1 HETATM 14595 O O . HOH Q 9 . ? -12.235 -37.156 41.569 1.00 45.97 ? 2162 HOH A O 1 HETATM 14596 O O . HOH Q 9 . ? -7.991 -42.666 55.966 1.00 59.91 ? 2163 HOH A O 1 HETATM 14597 O O . HOH Q 9 . ? -22.911 -48.059 39.056 1.00 43.18 ? 2164 HOH A O 1 HETATM 14598 O O . HOH Q 9 . ? -2.054 -60.049 44.822 1.00 56.00 ? 2165 HOH A O 1 HETATM 14599 O O . HOH Q 9 . ? -21.297 -38.787 37.655 1.00 53.12 ? 2166 HOH A O 1 HETATM 14600 O O . HOH Q 9 . ? -5.390 -23.009 55.192 1.00 38.30 ? 2167 HOH A O 1 HETATM 14601 O O . HOH Q 9 . ? -21.397 -9.234 43.179 1.00 60.97 ? 2168 HOH A O 1 HETATM 14602 O O . HOH Q 9 . ? 25.579 -50.916 19.856 1.00 45.90 ? 2169 HOH A O 1 HETATM 14603 O O . HOH Q 9 . ? 15.668 -27.670 26.177 1.00 52.00 ? 2170 HOH A O 1 HETATM 14604 O O . HOH Q 9 . ? -21.337 -8.958 50.978 1.00 36.81 ? 2171 HOH A O 1 HETATM 14605 O O . HOH Q 9 . ? -36.876 -17.454 66.824 1.00 49.73 ? 2172 HOH A O 1 HETATM 14606 O O . HOH Q 9 . ? -8.600 -26.897 39.526 1.00 51.97 ? 2173 HOH A O 1 HETATM 14607 O O . HOH Q 9 . ? -22.732 -25.715 54.729 1.00 33.72 ? 2174 HOH A O 1 HETATM 14608 O O . HOH Q 9 . ? 8.401 -51.392 44.160 1.00 54.81 ? 2175 HOH A O 1 HETATM 14609 O O . HOH Q 9 . ? 6.919 -42.116 44.019 1.00 63.54 ? 2176 HOH A O 1 HETATM 14610 O O . HOH Q 9 . ? 2.606 -46.178 52.931 1.00 53.49 ? 2177 HOH A O 1 HETATM 14611 O O . HOH Q 9 . ? -23.523 -52.133 40.273 1.00 39.77 ? 2178 HOH A O 1 HETATM 14612 O O . HOH Q 9 . ? 2.827 -18.217 21.200 1.00 57.30 ? 2179 HOH A O 1 HETATM 14613 O O . HOH Q 9 . ? -7.951 -23.008 47.681 1.00 56.81 ? 2180 HOH A O 1 HETATM 14614 O O . HOH Q 9 . ? -17.061 -20.908 33.699 1.00 42.47 ? 2181 HOH A O 1 HETATM 14615 O O . HOH Q 9 . ? -34.710 -28.376 33.993 1.00 47.68 ? 2182 HOH A O 1 HETATM 14616 O O . HOH Q 9 . ? -10.786 -29.797 58.919 1.00 46.75 ? 2183 HOH A O 1 HETATM 14617 O O . HOH Q 9 . ? -7.677 -39.996 55.799 1.00 53.19 ? 2184 HOH A O 1 HETATM 14618 O O . HOH Q 9 . ? 22.449 -51.537 56.752 1.00 57.55 ? 2185 HOH A O 1 HETATM 14619 O O . HOH Q 9 . ? -23.215 -55.135 56.401 1.00 43.36 ? 2186 HOH A O 1 HETATM 14620 O O . HOH Q 9 . ? -43.889 -14.094 47.958 1.00 55.72 ? 2187 HOH A O 1 HETATM 14621 O O . HOH Q 9 . ? -24.831 -19.019 47.069 1.00 48.24 ? 2188 HOH A O 1 HETATM 14622 O O . HOH Q 9 . ? -18.658 -41.797 69.995 1.00 48.33 ? 2189 HOH A O 1 HETATM 14623 O O . HOH Q 9 . ? -13.396 -61.140 56.533 1.00 68.54 ? 2190 HOH A O 1 HETATM 14624 O O . HOH Q 9 . ? -23.896 -51.495 50.079 1.00 48.41 ? 2191 HOH A O 1 HETATM 14625 O O . HOH Q 9 . ? -22.681 -15.687 23.819 1.00 48.14 ? 2192 HOH A O 1 HETATM 14626 O O . HOH Q 9 . ? -21.885 -31.943 33.652 1.00 48.15 ? 2193 HOH A O 1 HETATM 14627 O O . HOH Q 9 . ? -33.563 -43.399 44.456 1.00 56.10 ? 2194 HOH A O 1 HETATM 14628 O O . HOH Q 9 . ? -25.882 -19.514 71.938 1.00 42.46 ? 2195 HOH A O 1 HETATM 14629 O O . HOH Q 9 . ? -2.524 -41.157 58.687 1.00 45.93 ? 2196 HOH A O 1 HETATM 14630 O O . HOH Q 9 . ? -10.933 -18.246 68.782 1.00 75.55 ? 2197 HOH A O 1 HETATM 14631 O O . HOH Q 9 . ? -14.230 -21.048 70.021 1.00 42.28 ? 2198 HOH A O 1 HETATM 14632 O O . HOH Q 9 . ? -35.703 -6.426 45.320 1.00 51.86 ? 2199 HOH A O 1 HETATM 14633 O O . HOH Q 9 . ? -26.700 -34.901 42.435 1.00 59.23 ? 2200 HOH A O 1 HETATM 14634 O O . HOH Q 9 . ? 8.529 -35.831 71.783 1.00 51.07 ? 2201 HOH A O 1 HETATM 14635 O O . HOH Q 9 . ? -2.858 -25.829 53.682 1.00 68.55 ? 2202 HOH A O 1 HETATM 14636 O O . HOH Q 9 . ? -10.575 -35.980 64.396 1.00 43.01 ? 2203 HOH A O 1 HETATM 14637 O O . HOH Q 9 . ? -0.166 -47.203 56.065 1.00 42.56 ? 2204 HOH A O 1 HETATM 14638 O O . HOH Q 9 . ? -40.907 -14.972 38.853 1.00 64.86 ? 2205 HOH A O 1 HETATM 14639 O O . HOH R 9 . ? -14.899 -15.795 78.387 1.00 50.48 ? 301 HOH C O 1 HETATM 14640 O O . HOH R 9 . ? -15.014 -21.430 72.712 1.00 46.83 ? 302 HOH C O 1 HETATM 14641 O O . HOH R 9 . ? -15.245 -22.938 79.647 1.00 41.46 ? 303 HOH C O 1 HETATM 14642 O O . HOH S 9 . ? -32.980 -19.015 22.589 1.00 48.96 ? 201 HOH D O 1 HETATM 14643 O O . HOH S 9 . ? -25.203 -18.525 23.567 1.00 54.52 ? 202 HOH D O 1 HETATM 14644 O O . HOH S 9 . ? -33.479 -9.643 13.743 1.00 83.98 ? 203 HOH D O 1 HETATM 14645 O O . HOH S 9 . ? -25.218 -6.969 18.313 1.00 74.24 ? 204 HOH D O 1 HETATM 14646 O O . HOH S 9 . ? -32.298 -19.206 12.731 1.00 62.93 ? 205 HOH D O 1 # loop_ _atom_site_anisotrop.id _atom_site_anisotrop.type_symbol _atom_site_anisotrop.pdbx_label_atom_id _atom_site_anisotrop.pdbx_label_alt_id _atom_site_anisotrop.pdbx_label_comp_id _atom_site_anisotrop.pdbx_label_asym_id _atom_site_anisotrop.pdbx_label_seq_id _atom_site_anisotrop.pdbx_PDB_ins_code _atom_site_anisotrop.U[1][1] _atom_site_anisotrop.U[2][2] _atom_site_anisotrop.U[3][3] _atom_site_anisotrop.U[1][2] _atom_site_anisotrop.U[1][3] _atom_site_anisotrop.U[2][3] _atom_site_anisotrop.pdbx_auth_seq_id _atom_site_anisotrop.pdbx_auth_comp_id _atom_site_anisotrop.pdbx_auth_asym_id _atom_site_anisotrop.pdbx_auth_atom_id 1 N N . GLU A 2 ? 1.6243 1.4446 0.9360 -0.3088 -0.0675 0.1468 20 GLU B N 2 C CA . GLU A 2 ? 1.5736 1.3976 0.9216 -0.2915 -0.0686 0.1353 20 GLU B CA 3 C C . GLU A 2 ? 1.4228 1.2708 0.7961 -0.2974 -0.0592 0.1376 20 GLU B C 4 O O . GLU A 2 ? 1.3951 1.2790 0.7727 -0.3032 -0.0430 0.1383 20 GLU B O 5 C CB . GLU A 2 ? 1.6729 1.5135 1.0308 -0.2735 -0.0611 0.1199 20 GLU B CB 6 C CG . GLU A 2 ? 1.7424 1.5840 1.1356 -0.2557 -0.0642 0.1086 20 GLU B CG 7 C CD . GLU A 2 ? 1.8231 1.6316 1.2172 -0.2473 -0.0831 0.1083 20 GLU B CD 8 O OE1 . GLU A 2 ? 1.8663 1.6532 1.2595 -0.2521 -0.0939 0.1171 20 GLU B OE1 9 O OE2 . GLU A 2 ? 1.8476 1.6513 1.2423 -0.2355 -0.0878 0.0997 20 GLU B OE2 10 N N . GLN A 3 ? 1.3521 1.1809 0.7416 -0.2949 -0.0695 0.1391 21 GLN B N 11 C CA . GLN A 3 ? 1.3337 1.1788 0.7457 -0.3003 -0.0639 0.1414 21 GLN B CA 12 C C . GLN A 3 ? 1.2880 1.1335 0.7332 -0.2805 -0.0656 0.1297 21 GLN B C 13 O O . GLN A 3 ? 1.3249 1.1439 0.7717 -0.2681 -0.0780 0.1262 21 GLN B O 14 C CB . GLN A 3 ? 1.4067 1.2238 0.8011 -0.3185 -0.0759 0.1561 21 GLN B CB 15 C CG . GLN A 3 ? 1.4983 1.3161 0.8602 -0.3416 -0.0746 0.1703 21 GLN B CG 16 C CD . GLN A 3 ? 1.5613 1.3420 0.9010 -0.3596 -0.0904 0.1850 21 GLN B CD 17 O OE1 . GLN A 3 ? 1.5673 1.3115 0.9068 -0.3508 -0.1053 0.1835 21 GLN B OE1 18 N NE2 . GLN A 3 ? 1.6126 1.4021 0.9318 -0.3846 -0.0877 0.1997 21 GLN B NE2 19 N N . THR A 4 ? 1.2046 1.0823 0.6766 -0.2774 -0.0530 0.1243 22 THR B N 20 C CA . THR A 4 ? 1.1244 1.0079 0.6282 -0.2587 -0.0522 0.1128 22 THR B CA 21 C C . THR A 4 ? 1.0817 0.9758 0.6059 -0.2634 -0.0493 0.1154 22 THR B C 22 O O . THR A 4 ? 1.0987 1.0071 0.6172 -0.2808 -0.0443 0.1245 22 THR B O 23 C CB . THR A 4 ? 1.1011 1.0134 0.6182 -0.2454 -0.0396 0.1003 22 THR B CB 24 O OG1 . THR A 4 ? 1.1477 1.0972 0.6706 -0.2529 -0.0237 0.1016 22 THR B OG1 25 C CG2 . THR A 4 ? 1.0216 0.9227 0.5140 -0.2424 -0.0427 0.0978 22 THR B CG2 26 N N . TYR A 5 ? 1.0045 0.8926 0.5526 -0.2483 -0.0531 0.1081 23 TYR B N 27 C CA . TYR A 5 ? 0.9453 0.8432 0.5142 -0.2497 -0.0504 0.1084 23 TYR B CA 28 C C . TYR A 5 ? 0.9324 0.8457 0.5327 -0.2298 -0.0452 0.0959 23 TYR B C 29 O O . TYR A 5 ? 0.8803 0.7811 0.4851 -0.2152 -0.0508 0.0898 23 TYR B O 30 C CB . TYR A 5 ? 0.8668 0.7278 0.4239 -0.2549 -0.0652 0.1164 23 TYR B CB 31 C CG . TYR A 5 ? 0.8670 0.6964 0.4217 -0.2383 -0.0777 0.1132 23 TYR B CG 32 C CD1 . TYR A 5 ? 0.9680 0.7987 0.5480 -0.2199 -0.0784 0.1053 23 TYR B CD1 33 C CD2 . TYR A 5 ? 0.9967 0.7969 0.5242 -0.2409 -0.0889 0.1190 23 TYR B CD2 34 C CE1 . TYR A 5 ? 0.9544 0.7618 0.5342 -0.2043 -0.0891 0.1039 23 TYR B CE1 35 C CE2 . TYR A 5 ? 1.0000 0.7754 0.5270 -0.2248 -0.1003 0.1171 23 TYR B CE2 36 C CZ . TYR A 5 ? 0.9843 0.7652 0.5382 -0.2065 -0.1000 0.1098 23 TYR B CZ 37 O OH . TYR A 5 ? 0.9704 0.7319 0.5254 -0.1902 -0.1107 0.1095 23 TYR B OH 38 N N . VAL A 6 ? 0.9427 0.8838 0.5646 -0.2301 -0.0354 0.0931 24 VAL B N 39 C CA . VAL A 6 ? 0.8896 0.8467 0.5409 -0.2127 -0.0298 0.0820 24 VAL B CA 40 C C . VAL A 6 ? 0.8229 0.7820 0.4910 -0.2142 -0.0308 0.0838 24 VAL B C 41 O O . VAL A 6 ? 0.8496 0.8275 0.5198 -0.2274 -0.0252 0.0892 24 VAL B O 42 C CB . VAL A 6 ? 0.8104 0.8030 0.4712 -0.2079 -0.0152 0.0744 24 VAL B CB 43 C CG1 . VAL A 6 ? 0.7220 0.7259 0.4109 -0.1901 -0.0116 0.0633 24 VAL B CG1 44 C CG2 . VAL A 6 ? 0.7860 0.7740 0.4252 -0.2067 -0.0147 0.0724 24 VAL B CG2 45 N N . ILE A 7 ? 0.8027 0.7442 0.4828 -0.2008 -0.0379 0.0800 25 ILE B N 46 C CA . ILE A 7 ? 0.7591 0.6994 0.4541 -0.1989 -0.0394 0.0803 25 ILE B CA 47 C C . ILE A 7 ? 0.7479 0.7105 0.4725 -0.1829 -0.0317 0.0699 25 ILE B C 48 O O . ILE A 7 ? 0.7636 0.7197 0.4962 -0.1684 -0.0344 0.0643 25 ILE B O 49 C CB . ILE A 7 ? 0.7622 0.6643 0.4453 -0.1943 -0.0532 0.0843 25 ILE B CB 50 C CG1 . ILE A 7 ? 0.8015 0.6758 0.4517 -0.2075 -0.0628 0.0938 25 ILE B CG1 51 C CG2 . ILE A 7 ? 0.8139 0.7114 0.5052 -0.1949 -0.0554 0.0854 25 ILE B CG2 52 C CD1 . ILE A 7 ? 0.7884 0.6642 0.4238 -0.2300 -0.0629 0.1030 25 ILE B CD1 53 N N . SER A 8 ? 0.7561 0.7451 0.4970 -0.1860 -0.0231 0.0683 26 SER B N 54 C CA . SER A 8 ? 0.6397 0.6497 0.4075 -0.1717 -0.0159 0.0590 26 SER B CA 55 C C . SER A 8 ? 0.6902 0.6961 0.4717 -0.1690 -0.0189 0.0597 26 SER B C 56 O O . SER A 8 ? 0.7083 0.7173 0.4862 -0.1820 -0.0196 0.0658 26 SER B O 57 C CB . SER A 8 ? 0.6338 0.6799 0.4099 -0.1738 -0.0029 0.0554 26 SER B CB 58 O OG . SER A 8 ? 0.6777 0.7257 0.4386 -0.1737 0.0000 0.0536 26 SER B OG 59 N N . ALA A 9 ? 0.7036 0.7025 0.4999 -0.1531 -0.0213 0.0541 27 ALA B N 60 C CA . ALA A 9 ? 0.6539 0.6485 0.4631 -0.1471 -0.0236 0.0536 27 ALA B CA 61 C C . ALA A 9 ? 0.6276 0.6387 0.4617 -0.1316 -0.0182 0.0453 27 ALA B C 62 O O . ALA A 9 ? 0.6141 0.6310 0.4520 -0.1249 -0.0160 0.0406 27 ALA B O 63 C CB . ALA A 9 ? 0.6486 0.6088 0.4437 -0.1426 -0.0349 0.0580 27 ALA B CB 64 N N . PRO A 10 ? 0.6078 0.6248 0.4575 -0.1263 -0.0170 0.0437 28 PRO B N 65 C CA . PRO A 10 ? 0.5299 0.5581 0.4018 -0.1116 -0.0136 0.0370 28 PRO B CA 66 C C . PRO A 10 ? 0.5282 0.5399 0.4000 -0.1007 -0.0197 0.0372 28 PRO B C 67 O O . PRO A 10 ? 0.5425 0.5326 0.3999 -0.1010 -0.0269 0.0425 28 PRO B O 68 C CB . PRO A 10 ? 0.5200 0.5508 0.4028 -0.1095 -0.0135 0.0374 28 PRO B CB 69 C CG . PRO A 10 ? 0.5906 0.6022 0.4536 -0.1210 -0.0200 0.0445 28 PRO B CG 70 C CD . PRO A 10 ? 0.6245 0.6385 0.4715 -0.1348 -0.0191 0.0480 28 PRO B CD 71 N N . LYS A 11 ? 0.5128 0.5350 0.4004 -0.0912 -0.0174 0.0320 29 LYS B N 72 C CA . LYS A 11 ? 0.5102 0.5221 0.4014 -0.0822 -0.0236 0.0337 29 LYS B CA 73 C C . LYS A 11 ? 0.6264 0.6262 0.5198 -0.0748 -0.0282 0.0388 29 LYS B C 74 O O . LYS A 11 ? 0.6222 0.6094 0.5096 -0.0700 -0.0346 0.0436 29 LYS B O 75 C CB . LYS A 11 ? 0.5394 0.5639 0.4484 -0.0747 -0.0217 0.0283 29 LYS B CB 76 C CG . LYS A 11 ? 0.5866 0.6043 0.5008 -0.0683 -0.0291 0.0314 29 LYS B CG 77 C CD . LYS A 11 ? 0.7523 0.7623 0.6513 -0.0736 -0.0334 0.0313 29 LYS B CD 78 C CE . LYS A 11 ? 0.8792 0.8829 0.7830 -0.0690 -0.0427 0.0368 29 LYS B CE 79 N NZ . LYS A 11 ? 0.9864 0.9819 0.8880 -0.0647 -0.0465 0.0448 29 LYS B NZ 80 N N . ILE A 12 ? 0.5003 0.5039 0.4008 -0.0728 -0.0252 0.0381 30 ILE B N 81 C CA . ILE A 12 ? 0.6078 0.6003 0.5090 -0.0636 -0.0284 0.0418 30 ILE B CA 82 C C . ILE A 12 ? 0.6074 0.5903 0.4956 -0.0708 -0.0288 0.0427 30 ILE B C 83 O O . ILE A 12 ? 0.6204 0.6162 0.5120 -0.0803 -0.0244 0.0400 30 ILE B O 84 C CB . ILE A 12 ? 0.5990 0.6059 0.5236 -0.0525 -0.0253 0.0400 30 ILE B CB 85 C CG1 . ILE A 12 ? 0.6596 0.6729 0.5952 -0.0471 -0.0277 0.0414 30 ILE B CG1 86 C CG2 . ILE A 12 ? 0.6530 0.6509 0.5768 -0.0425 -0.0269 0.0434 30 ILE B CG2 87 C CD1 . ILE A 12 ? 0.6776 0.6782 0.6030 -0.0427 -0.0342 0.0478 30 ILE B CD1 88 N N . PHE A 13 ? 0.6018 0.5618 0.4743 -0.0661 -0.0348 0.0469 31 PHE B N 89 C CA . PHE A 13 ? 0.6122 0.5576 0.4701 -0.0723 -0.0378 0.0481 31 PHE B CA 90 C C . PHE A 13 ? 0.6126 0.5633 0.4831 -0.0621 -0.0354 0.0460 31 PHE B C 91 O O . PHE A 13 ? 0.6456 0.5987 0.5261 -0.0469 -0.0343 0.0464 31 PHE B O 92 C CB . PHE A 13 ? 0.6473 0.5590 0.4762 -0.0714 -0.0471 0.0530 31 PHE B CB 93 C CG . PHE A 13 ? 0.6784 0.5803 0.4888 -0.0865 -0.0508 0.0561 31 PHE B CG 94 C CD1 . PHE A 13 ? 0.6689 0.5892 0.4838 -0.1032 -0.0463 0.0553 31 PHE B CD1 95 C CD2 . PHE A 13 ? 0.6623 0.5378 0.4504 -0.0832 -0.0588 0.0603 31 PHE B CD2 96 C CE1 . PHE A 13 ? 0.6392 0.5524 0.4364 -0.1175 -0.0491 0.0592 31 PHE B CE1 97 C CE2 . PHE A 13 ? 0.6767 0.5421 0.4465 -0.0977 -0.0627 0.0638 31 PHE B CE2 98 C CZ . PHE A 13 ? 0.6547 0.5392 0.4288 -0.1155 -0.0576 0.0635 31 PHE B CZ 99 N N . ARG A 14 ? 0.6001 0.5540 0.4701 -0.0712 -0.0348 0.0448 32 ARG B N 100 C CA . ARG A 14 ? 0.6203 0.5802 0.5016 -0.0637 -0.0328 0.0426 32 ARG B CA 101 C C . ARG A 14 ? 0.6211 0.5522 0.4780 -0.0654 -0.0408 0.0450 32 ARG B C 102 O O . ARG A 14 ? 0.6679 0.5908 0.5109 -0.0816 -0.0455 0.0471 32 ARG B O 103 C CB . ARG A 14 ? 0.5809 0.5696 0.4828 -0.0715 -0.0264 0.0390 32 ARG B CB 104 C CG . ARG A 14 ? 0.5679 0.5668 0.4859 -0.0620 -0.0235 0.0364 32 ARG B CG 105 C CD . ARG A 14 ? 0.5875 0.6149 0.5252 -0.0686 -0.0177 0.0329 32 ARG B CD 106 N NE . ARG A 14 ? 0.5358 0.5823 0.4876 -0.0671 -0.0118 0.0297 32 ARG B NE 107 C CZ . ARG A 14 ? 0.5617 0.6173 0.5299 -0.0559 -0.0086 0.0269 32 ARG B CZ 108 N NH1 . ARG A 14 ? 0.5395 0.5907 0.5141 -0.0451 -0.0095 0.0278 32 ARG B NH1 109 N NH2 . ARG A 14 ? 0.6527 0.7207 0.6290 -0.0557 -0.0051 0.0236 32 ARG B NH2 110 N N . VAL A 15 ? 0.5524 0.4681 0.4028 -0.0489 -0.0428 0.0452 33 VAL B N 111 C CA . VAL A 15 ? 0.5832 0.4655 0.4053 -0.0473 -0.0515 0.0465 33 VAL B CA 112 C C . VAL A 15 ? 0.6195 0.5052 0.4418 -0.0616 -0.0539 0.0457 33 VAL B C 113 O O . VAL A 15 ? 0.5610 0.4723 0.4068 -0.0605 -0.0477 0.0430 33 VAL B O 114 C CB . VAL A 15 ? 0.6254 0.4979 0.4442 -0.0242 -0.0506 0.0462 33 VAL B CB 115 C CG1 . VAL A 15 ? 0.6598 0.4961 0.4469 -0.0210 -0.0596 0.0461 33 VAL B CG1 116 C CG2 . VAL A 15 ? 0.6233 0.4926 0.4400 -0.0106 -0.0498 0.0489 33 VAL B CG2 117 N N . GLY A 16 ? 0.6170 0.4766 0.4128 -0.0759 -0.0639 0.0488 34 GLY B N 118 C CA . GLY A 16 ? 0.6450 0.5063 0.4388 -0.0915 -0.0686 0.0498 34 GLY B CA 119 C C . GLY A 16 ? 0.6533 0.5487 0.4674 -0.1112 -0.0639 0.0517 34 GLY B C 120 O O . GLY A 16 ? 0.6896 0.5888 0.5017 -0.1275 -0.0689 0.0548 34 GLY B O 121 N N . ALA A 17 ? 0.6460 0.5668 0.4786 -0.1100 -0.0547 0.0505 35 ALA B N 122 C CA . ALA A 17 ? 0.6537 0.6085 0.5041 -0.1253 -0.0487 0.0517 35 ALA B CA 123 C C . ALA A 17 ? 0.7675 0.7109 0.5975 -0.1443 -0.0545 0.0583 35 ALA B C 124 O O . ALA A 17 ? 0.7431 0.6572 0.5505 -0.1423 -0.0602 0.0602 35 ALA B O 125 C CB . ALA A 17 ? 0.5401 0.5239 0.4155 -0.1146 -0.0370 0.0468 35 ALA B CB 126 N N . SER A 18 ? 0.8270 0.7957 0.6655 -0.1629 -0.0530 0.0625 36 SER B N 127 C CA . SER A 18 ? 0.8659 0.8336 0.6897 -0.1832 -0.0564 0.0701 36 SER B CA 128 C C . SER A 18 ? 0.8390 0.8304 0.6750 -0.1788 -0.0453 0.0674 36 SER B C 129 O O . SER A 18 ? 0.8604 0.8913 0.7193 -0.1801 -0.0350 0.0656 36 SER B O 130 C CB . SER A 18 ? 0.9580 0.9489 0.7884 -0.2048 -0.0587 0.0771 36 SER B CB 131 O OG . SER A 18 ? 1.0381 1.0733 0.9013 -0.1990 -0.0475 0.0731 36 SER B OG 132 N N . GLU A 19 ? 0.8341 0.8002 0.6534 -0.1722 -0.0481 0.0669 37 GLU B N 133 C CA . GLU A 19 ? 0.7527 0.7347 0.5795 -0.1670 -0.0397 0.0640 37 GLU B CA 134 C C . GLU A 19 ? 0.7396 0.7250 0.5512 -0.1870 -0.0409 0.0715 37 GLU B C 135 O O . GLU A 19 ? 0.8099 0.7633 0.5943 -0.1975 -0.0516 0.0781 37 GLU B O 136 C CB . GLU A 19 ? 0.7439 0.7001 0.5625 -0.1496 -0.0427 0.0606 37 GLU B CB 137 C CG . GLU A 19 ? 0.8112 0.7632 0.6424 -0.1302 -0.0419 0.0552 37 GLU B CG 138 C CD . GLU A 19 ? 0.9035 0.8885 0.7650 -0.1194 -0.0312 0.0486 37 GLU B CD 139 O OE1 . GLU A 19 ? 0.9867 1.0009 0.8625 -0.1269 -0.0244 0.0472 37 GLU B OE1 140 O OE2 . GLU A 19 ? 0.8797 0.8613 0.7498 -0.1030 -0.0300 0.0452 37 GLU B OE2 141 N N . ASN A 20 ? 0.6749 0.6979 0.5021 -0.1915 -0.0301 0.0708 38 ASN B N 142 C CA . ASN A 20 ? 0.7177 0.7512 0.5327 -0.2100 -0.0289 0.0785 38 ASN B CA 143 C C . ASN A 20 ? 0.7007 0.7228 0.5037 -0.2038 -0.0272 0.0763 38 ASN B C 144 O O . ASN A 20 ? 0.6831 0.7180 0.4999 -0.1882 -0.0196 0.0680 38 ASN B O 145 C CB . ASN A 20 ? 0.6728 0.7557 0.5094 -0.2164 -0.0172 0.0794 38 ASN B CB 146 C CG . ASN A 20 ? 0.7314 0.8297 0.5558 -0.2380 -0.0158 0.0899 38 ASN B CG 147 O OD1 . ASN A 20 ? 0.8010 0.9366 0.6362 -0.2382 -0.0039 0.0894 38 ASN B OD1 148 N ND2 . ASN A 20 ? 0.7151 0.7838 0.5149 -0.2560 -0.0283 0.0999 38 ASN B ND2 149 N N . ILE A 21 ? 0.6579 0.6536 0.4336 -0.2168 -0.0358 0.0841 39 ILE B N 150 C CA . ILE A 21 ? 0.7553 0.7350 0.5156 -0.2126 -0.0369 0.0835 39 ILE B CA 151 C C . ILE A 21 ? 0.7973 0.7948 0.5464 -0.2314 -0.0328 0.0911 39 ILE B C 152 O O . ILE A 21 ? 0.8535 0.8456 0.5882 -0.2519 -0.0388 0.1016 39 ILE B O 153 C CB . ILE A 21 ? 0.7822 0.7135 0.5173 -0.2095 -0.0511 0.0865 39 ILE B CB 154 C CG1 . ILE A 21 ? 0.7685 0.6838 0.5114 -0.1942 -0.0554 0.0815 39 ILE B CG1 155 C CG2 . ILE A 21 ? 0.8249 0.7433 0.5508 -0.1995 -0.0519 0.0841 39 ILE B CG2 156 C CD1 . ILE A 21 ? 0.7482 0.6804 0.5162 -0.1727 -0.0475 0.0719 39 ILE B CD1 157 N N . VAL A 22 ? 0.7801 0.7979 0.5343 -0.2247 -0.0232 0.0864 40 VAL B N 158 C CA . VAL A 22 ? 0.7805 0.8200 0.5248 -0.2393 -0.0167 0.0926 40 VAL B CA 159 C C . VAL A 22 ? 0.8138 0.8235 0.5309 -0.2419 -0.0236 0.0957 40 VAL B C 160 O O . VAL A 22 ? 0.8311 0.8204 0.5466 -0.2261 -0.0272 0.0889 40 VAL B O 161 C CB . VAL A 22 ? 0.7009 0.7827 0.4654 -0.2287 -0.0011 0.0847 40 VAL B CB 162 C CG1 . VAL A 22 ? 0.7048 0.8106 0.4569 -0.2413 0.0070 0.0910 40 VAL B CG1 163 C CG2 . VAL A 22 ? 0.6504 0.7615 0.4417 -0.2252 0.0050 0.0821 40 VAL B CG2 164 N N . ILE A 23 ? 0.8233 0.8314 0.5193 -0.2626 -0.0260 0.1071 41 ILE B N 165 C CA . ILE A 23 ? 0.8633 0.8468 0.5320 -0.2671 -0.0318 0.1111 41 ILE B CA 166 C C . ILE A 23 ? 0.8563 0.8723 0.5186 -0.2794 -0.0208 0.1164 41 ILE B C 167 O O . ILE A 23 ? 0.7866 0.8287 0.4517 -0.2970 -0.0164 0.1257 41 ILE B O 168 C CB . ILE A 23 ? 0.8730 0.8118 0.5142 -0.2805 -0.0486 0.1213 41 ILE B CB 169 C CG1 . ILE A 23 ? 0.9299 0.8475 0.5416 -0.2881 -0.0540 0.1274 41 ILE B CG1 170 C CG2 . ILE A 23 ? 0.8843 0.8308 0.5233 -0.3029 -0.0518 0.1324 41 ILE B CG2 171 C CD1 . ILE A 23 ? 1.0039 0.8703 0.5858 -0.2959 -0.0721 0.1354 41 ILE B CD1 172 N N . GLN A 24 ? 0.9026 0.9189 0.5564 -0.2700 -0.0165 0.1109 42 GLN B N 173 C CA . GLN A 24 ? 0.9082 0.9534 0.5521 -0.2779 -0.0054 0.1146 42 GLN B CA 174 C C . GLN A 24 ? 0.9521 0.9671 0.5665 -0.2797 -0.0128 0.1169 42 GLN B C 175 O O . GLN A 24 ? 0.9665 0.9660 0.5806 -0.2626 -0.0152 0.1070 42 GLN B O 176 C CB . GLN A 24 ? 0.7703 0.8521 0.4346 -0.2602 0.0099 0.1025 42 GLN B CB 177 C CG . GLN A 24 ? 0.7438 0.8561 0.4384 -0.2556 0.0172 0.0992 42 GLN B CG 178 C CD . GLN A 24 ? 0.7566 0.8956 0.4689 -0.2343 0.0296 0.0856 42 GLN B CD 179 O OE1 . GLN A 24 ? 0.8110 0.9348 0.5158 -0.2199 0.0289 0.0762 42 GLN B OE1 180 N NE2 . GLN A 24 ? 0.7238 0.9016 0.4584 -0.2323 0.0399 0.0849 42 GLN B NE2 181 N N . VAL A 25 ? 0.9553 0.9621 0.5449 -0.3012 -0.0172 0.1306 43 VAL B N 182 C CA . VAL A 25 ? 1.0059 0.9831 0.5651 -0.3045 -0.0250 0.1342 43 VAL B CA 183 C C . VAL A 25 ? 1.0558 1.0633 0.6015 -0.3127 -0.0125 0.1384 43 VAL B C 184 O O . VAL A 25 ? 1.0443 1.0933 0.6000 -0.3219 0.0001 0.1435 43 VAL B O 185 C CB . VAL A 25 ? 1.0177 0.9526 0.5525 -0.3213 -0.0423 0.1468 43 VAL B CB 186 C CG1 . VAL A 25 ? 0.9421 0.8462 0.4875 -0.3091 -0.0539 0.1414 43 VAL B CG1 187 C CG2 . VAL A 25 ? 1.0478 0.9998 0.5756 -0.3484 -0.0409 0.1622 43 VAL B CG2 188 N N . TYR A 26 ? 1.0762 1.0641 0.5987 -0.3084 -0.0160 0.1366 44 TYR B N 189 C CA . TYR A 26 ? 1.0279 1.0400 0.5338 -0.3111 -0.0043 0.1378 44 TYR B CA 190 C C . TYR A 26 ? 1.0844 1.0628 0.5543 -0.3213 -0.0152 0.1459 44 TYR B C 191 O O . TYR A 26 ? 1.1023 1.0400 0.5636 -0.3141 -0.0299 0.1430 44 TYR B O 192 C CB . TYR A 26 ? 0.9788 1.0072 0.4961 -0.2870 0.0056 0.1210 44 TYR B CB 193 C CG . TYR A 26 ? 0.9331 0.9882 0.4853 -0.2735 0.0142 0.1113 44 TYR B CG 194 C CD1 . TYR A 26 ? 0.9210 1.0236 0.4857 -0.2721 0.0315 0.1105 44 TYR B CD1 195 C CD2 . TYR A 26 ? 0.9287 0.9628 0.5011 -0.2614 0.0052 0.1036 44 TYR B CD2 196 C CE1 . TYR A 26 ? 0.9019 1.0279 0.4980 -0.2592 0.0386 0.1019 44 TYR B CE1 197 C CE2 . TYR A 26 ? 0.9119 0.9690 0.5149 -0.2496 0.0125 0.0954 44 TYR B CE2 198 C CZ . TYR A 26 ? 0.8833 0.9850 0.4978 -0.2486 0.0286 0.0943 44 TYR B CZ 199 O OH . TYR A 26 ? 0.7844 0.9077 0.4287 -0.2362 0.0350 0.0862 44 TYR B OH 200 N N . GLY A 27 ? 1.1203 1.1180 0.5691 -0.3371 -0.0075 0.1565 45 GLY B N 201 C CA . GLY A 27 ? 1.1282 1.0972 0.5406 -0.3491 -0.0167 0.1659 45 GLY B CA 202 C C . GLY A 27 ? 1.1953 1.1430 0.5904 -0.3754 -0.0286 0.1843 45 GLY B C 203 O O . GLY A 27 ? 1.3343 1.2633 0.6970 -0.3894 -0.0347 0.1950 45 GLY B O 204 N N . TYR A 28 ? 1.2035 1.1512 0.6172 -0.3828 -0.0329 0.1883 46 TYR B N 205 C CA . TYR A 28 ? 1.2667 1.1884 0.6625 -0.4080 -0.0468 0.2053 46 TYR B CA 206 C C . TYR A 28 ? 1.3544 1.3194 0.7502 -0.4332 -0.0357 0.2210 46 TYR B C 207 O O . TYR A 28 ? 1.3508 1.3644 0.7751 -0.4297 -0.0204 0.2178 46 TYR B O 208 C CB . TYR A 28 ? 1.2199 1.1155 0.6320 -0.4031 -0.0588 0.2017 46 TYR B CB 209 C CG . TYR A 28 ? 1.1765 1.0358 0.5920 -0.3775 -0.0685 0.1875 46 TYR B CG 210 C CD1 . TYR A 28 ? 1.2050 1.0106 0.5937 -0.3779 -0.0875 0.1917 46 TYR B CD1 211 C CD2 . TYR A 28 ? 1.0750 0.9547 0.5202 -0.3528 -0.0590 0.1708 46 TYR B CD2 212 C CE1 . TYR A 28 ? 1.1545 0.9326 0.5484 -0.3540 -0.0957 0.1802 46 TYR B CE1 213 C CE2 . TYR A 28 ? 1.0420 0.8929 0.4919 -0.3311 -0.0679 0.1599 46 TYR B CE2 214 C CZ . TYR A 28 ? 1.0875 0.8900 0.5129 -0.3315 -0.0858 0.1649 46 TYR B CZ 215 O OH . TYR A 28 ? 1.1087 0.8876 0.5408 -0.3095 -0.0942 0.1555 46 TYR B OH 216 N N . THR A 29 ? 1.4203 1.3703 0.7962 -0.4526 -0.0446 0.2337 47 THR B N 217 C CA . THR A 29 ? 1.4429 1.4337 0.8303 -0.4728 -0.0377 0.2457 47 THR B CA 218 C C . THR A 29 ? 1.4984 1.4673 0.8874 -0.4944 -0.0551 0.2567 47 THR B C 219 O O . THR A 29 ? 1.5074 1.5160 0.9151 -0.5101 -0.0500 0.2657 47 THR B O 220 C CB . THR A 29 ? 1.4411 1.4393 0.8081 -0.4794 -0.0339 0.2516 47 THR B CB 221 O OG1 . THR A 29 ? 1.4781 1.4165 0.8150 -0.4817 -0.0531 0.2530 47 THR B OG1 222 C CG2 . THR A 29 ? 1.4010 1.4325 0.7680 -0.4594 -0.0138 0.2413 47 THR B CG2 223 N N . GLU A 30 ? 1.5453 1.4522 0.9144 -0.4946 -0.0761 0.2560 48 GLU B N 224 C CA . GLU A 30 ? 1.6095 1.4862 0.9745 -0.5126 -0.0951 0.2643 48 GLU B CA 225 C C . GLU A 30 ? 1.5350 1.4019 0.9162 -0.5034 -0.0984 0.2578 48 GLU B C 226 O O . GLU A 30 ? 1.4658 1.3154 0.8471 -0.4815 -0.0964 0.2468 48 GLU B O 227 C CB . GLU A 30 ? 1.7464 1.5579 1.0769 -0.5163 -0.1171 0.2669 48 GLU B CB 228 C CG . GLU A 30 ? 1.8698 1.6426 1.1898 -0.5335 -0.1390 0.2739 48 GLU B CG 229 C CD . GLU A 30 ? 1.9640 1.6692 1.2490 -0.5326 -0.1606 0.2742 48 GLU B CD 230 O OE1 . GLU A 30 ? 1.9752 1.6692 1.2454 -0.5226 -0.1585 0.2714 48 GLU B OE1 231 O OE2 . GLU A 30 ? 2.0069 1.6696 1.2782 -0.5409 -0.1804 0.2767 48 GLU B OE2 232 N N . ALA A 31 ? 1.5380 1.4160 0.9322 -0.5205 -0.1043 0.2651 49 ALA B N 233 C CA . ALA A 31 ? 1.4763 1.3470 0.8860 -0.5137 -0.1076 0.2599 49 ALA B CA 234 C C . ALA A 31 ? 1.4976 1.2961 0.8823 -0.5033 -0.1279 0.2545 49 ALA B C 235 O O . ALA A 31 ? 1.5253 1.2774 0.8812 -0.5090 -0.1446 0.2580 49 ALA B O 236 C CB . ALA A 31 ? 1.4363 1.3333 0.8627 -0.5362 -0.1120 0.2699 49 ALA B CB 237 N N . PHE A 32 ? 1.4758 1.2657 0.8717 -0.4865 -0.1263 0.2459 50 PHE B N 238 C CA . PHE A 32 ? 1.5173 1.2429 0.8923 -0.4728 -0.1442 0.2404 50 PHE B CA 239 C C . PHE A 32 ? 1.4884 1.2227 0.8889 -0.4583 -0.1406 0.2308 50 PHE B C 240 O O . PHE A 32 ? 1.4337 1.2233 0.8703 -0.4527 -0.1229 0.2250 50 PHE B O 241 C CB . PHE A 32 ? 1.5419 1.2391 0.8999 -0.4506 -0.1453 0.2327 50 PHE B CB 242 C CG . PHE A 32 ? 1.5502 1.2877 0.9432 -0.4225 -0.1266 0.2155 50 PHE B CG 243 C CD1 . PHE A 32 ? 1.5351 1.3234 0.9420 -0.4245 -0.1081 0.2150 50 PHE B CD1 244 C CD2 . PHE A 32 ? 1.5690 1.2918 0.9785 -0.3940 -0.1281 0.2002 50 PHE B CD2 245 C CE1 . PHE A 32 ? 1.4923 1.3119 0.9273 -0.3991 -0.0930 0.1991 50 PHE B CE1 246 C CE2 . PHE A 32 ? 1.5154 1.2727 0.9556 -0.3704 -0.1128 0.1856 50 PHE B CE2 247 C CZ . PHE A 32 ? 1.4798 1.2832 0.9318 -0.3732 -0.0960 0.1848 50 PHE B CZ 248 N N . ASP A 33 ? 1.5377 1.2178 0.9218 -0.4490 -0.1579 0.2269 51 ASP B N 249 C CA . ASP A 33 ? 1.4782 1.1603 0.8856 -0.4322 -0.1570 0.2156 51 ASP B CA 250 C C . ASP A 33 ? 1.4609 1.1279 0.8780 -0.3954 -0.1542 0.1982 51 ASP B C 251 O O . ASP A 33 ? 1.5166 1.1512 0.9123 -0.3844 -0.1611 0.1967 51 ASP B O 252 C CB . ASP A 33 ? 1.4782 1.1108 0.8593 -0.4471 -0.1785 0.2234 51 ASP B CB 253 C CG . ASP A 33 ? 1.5014 1.1554 0.8812 -0.4832 -0.1824 0.2393 51 ASP B CG 254 O OD1 . ASP A 33 ? 1.4770 1.1730 0.8845 -0.4917 -0.1736 0.2413 51 ASP B OD1 255 O OD2 . ASP A 33 ? 1.5777 1.2127 0.9362 -0.4991 -0.1944 0.2460 51 ASP B OD2 256 N N . ALA A 34 ? 1.3126 1.0052 0.7629 -0.3769 -0.1443 0.1860 52 ALA B N 257 C CA . ALA A 34 ? 1.2215 0.9066 0.6859 -0.3432 -0.1408 0.1707 52 ALA B CA 258 C C . ALA A 34 ? 1.1838 0.8596 0.6609 -0.3308 -0.1440 0.1635 52 ALA B C 259 O O . ALA A 34 ? 1.1256 0.8293 0.6209 -0.3424 -0.1389 0.1652 52 ALA B O 260 C CB . ALA A 34 ? 1.1568 0.8933 0.6538 -0.3297 -0.1209 0.1615 52 ALA B CB 261 N N . THR A 35 ? 1.1470 0.7854 0.6143 -0.3065 -0.1522 0.1558 53 THR B N 262 C CA . THR A 35 ? 1.1600 0.7858 0.6356 -0.2908 -0.1553 0.1483 53 THR B CA 263 C C . THR A 35 ? 1.0712 0.7292 0.5826 -0.2627 -0.1408 0.1350 53 THR B C 264 O O . THR A 35 ? 1.0875 0.7382 0.5984 -0.2440 -0.1402 0.1305 53 THR B O 265 C CB . THR A 35 ? 1.1883 0.7479 0.6246 -0.2820 -0.1751 0.1497 53 THR B CB 266 O OG1 . THR A 35 ? 1.2169 0.7430 0.6180 -0.3105 -0.1906 0.1627 53 THR B OG1 267 C CG2 . THR A 35 ? 1.0757 0.6241 0.5199 -0.2627 -0.1767 0.1409 53 THR B CG2 268 N N . ILE A 36 ? 0.9810 0.6748 0.5233 -0.2609 -0.1302 0.1297 54 ILE B N 269 C CA . ILE A 36 ? 0.9679 0.6891 0.5433 -0.2358 -0.1182 0.1178 54 ILE B CA 270 C C . ILE A 36 ? 0.9751 0.6683 0.5456 -0.2194 -0.1256 0.1131 54 ILE B C 271 O O . ILE A 36 ? 0.9665 0.6404 0.5227 -0.2313 -0.1342 0.1169 54 ILE B O 272 C CB . ILE A 36 ? 0.9326 0.7098 0.5436 -0.2422 -0.1018 0.1146 54 ILE B CB 273 C CG1 . ILE A 36 ? 0.9248 0.7277 0.5345 -0.2598 -0.0949 0.1205 54 ILE B CG1 274 C CG2 . ILE A 36 ? 0.8744 0.6765 0.5167 -0.2173 -0.0907 0.1030 54 ILE B CG2 275 C CD1 . ILE A 36 ? 0.8676 0.7254 0.5085 -0.2652 -0.0789 0.1180 54 ILE B CD1 276 N N . SER A 37 ? 0.9493 0.6404 0.5306 -0.1924 -0.1227 0.1053 55 SER B N 277 C CA . SER A 37 ? 0.9772 0.6368 0.5472 -0.1741 -0.1304 0.1017 55 SER B CA 278 C C . SER A 37 ? 0.9261 0.6118 0.5273 -0.1479 -0.1196 0.0930 55 SER B C 279 O O . SER A 37 ? 0.8857 0.5946 0.5049 -0.1397 -0.1122 0.0908 55 SER B O 280 C CB . SER A 37 ? 1.0689 0.6744 0.5981 -0.1678 -0.1463 0.1060 55 SER B CB 281 O OG . SER A 37 ? 1.2053 0.7768 0.7179 -0.1493 -0.1543 0.1026 55 SER B OG 282 N N . ILE A 38 ? 0.9070 0.5887 0.5138 -0.1363 -0.1193 0.0886 56 ILE B N 283 C CA . ILE A 38 ? 0.8565 0.5546 0.4864 -0.1101 -0.1117 0.0820 56 ILE B CA 284 C C . ILE A 38 ? 0.9183 0.5729 0.5196 -0.0904 -0.1223 0.0819 56 ILE B C 285 O O . ILE A 38 ? 0.9964 0.6225 0.5764 -0.0930 -0.1302 0.0818 56 ILE B O 286 C CB . ILE A 38 ? 0.7885 0.5208 0.4491 -0.1104 -0.1013 0.0770 56 ILE B CB 287 C CG1 . ILE A 38 ? 0.7389 0.5118 0.4237 -0.1286 -0.0913 0.0770 56 ILE B CG1 288 C CG2 . ILE A 38 ? 0.7381 0.4879 0.4221 -0.0849 -0.0937 0.0718 56 ILE B CG2 289 C CD1 . ILE A 38 ? 0.7026 0.5114 0.4195 -0.1262 -0.0806 0.0717 56 ILE B CD1 290 N N . LYS A 39 ? 0.8822 0.5313 0.4816 -0.0704 -0.1232 0.0821 57 LYS B N 291 C CA . LYS A 39 ? 0.9419 0.5514 0.5127 -0.0478 -0.1328 0.0825 57 LYS B CA 292 C C . LYS A 39 ? 0.9186 0.5532 0.5147 -0.0192 -0.1239 0.0793 57 LYS B C 293 O O . LYS A 39 ? 0.9205 0.5995 0.5546 -0.0191 -0.1120 0.0773 57 LYS B O 294 C CB . LYS A 39 ? 0.9559 0.5341 0.4976 -0.0492 -0.1439 0.0880 57 LYS B CB 295 C CG . LYS A 39 ? 1.0168 0.5611 0.5255 -0.0760 -0.1556 0.0930 57 LYS B CG 296 C CD . LYS A 39 ? 1.0747 0.5809 0.5496 -0.0737 -0.1683 0.0985 57 LYS B CD 297 C CE . LYS A 39 ? 1.0928 0.5620 0.5322 -0.1019 -0.1815 0.1050 57 LYS B CE 298 N NZ . LYS A 39 ? 1.1827 0.6123 0.5874 -0.0996 -0.1947 0.1107 57 LYS B NZ 299 N N . SER A 40 ? 0.8756 0.4807 0.4488 0.0054 -0.1303 0.0795 58 SER B N 300 C CA . SER A 40 ? 0.8549 0.4838 0.4494 0.0338 -0.1222 0.0782 58 SER B CA 301 C C . SER A 40 ? 0.9501 0.6039 0.5638 0.0431 -0.1196 0.0825 58 SER B C 302 O O . SER A 40 ? 1.0159 0.6496 0.6105 0.0388 -0.1281 0.0862 58 SER B O 303 C CB . SER A 40 ? 0.9198 0.5093 0.4807 0.0593 -0.1294 0.0769 58 SER B CB 304 O OG . SER A 40 ? 1.0169 0.5621 0.5390 0.0645 -0.1429 0.0799 58 SER B OG 305 N N . TYR A 41 ? 0.8614 0.5588 0.5125 0.0551 -0.1086 0.0826 59 TYR B N 306 C CA . TYR A 41 ? 0.8376 0.5641 0.5118 0.0628 -0.1063 0.0875 59 TYR B CA 307 C C . TYR A 41 ? 0.8690 0.5991 0.5431 0.0951 -0.1062 0.0914 59 TYR B C 308 O O . TYR A 41 ? 0.8815 0.6209 0.5626 0.1110 -0.1000 0.0899 59 TYR B O 309 C CB . TYR A 41 ? 0.7654 0.5398 0.4824 0.0510 -0.0956 0.0865 59 TYR B CB 310 C CG . TYR A 41 ? 0.7647 0.5702 0.5069 0.0578 -0.0944 0.0921 59 TYR B CG 311 C CD1 . TYR A 41 ? 0.6930 0.5293 0.4610 0.0775 -0.0888 0.0962 59 TYR B CD1 312 C CD2 . TYR A 41 ? 0.7848 0.5896 0.5247 0.0436 -0.0995 0.0943 59 TYR B CD2 313 C CE1 . TYR A 41 ? 0.7403 0.6062 0.5322 0.0815 -0.0893 0.1028 59 TYR B CE1 314 C CE2 . TYR A 41 ? 0.7812 0.6127 0.5428 0.0485 -0.1003 0.0998 59 TYR B CE2 315 C CZ . TYR A 41 ? 0.7948 0.6570 0.5830 0.0668 -0.0957 0.1043 59 TYR B CZ 316 O OH . TYR A 41 ? 0.8166 0.7065 0.6272 0.0695 -0.0981 0.1112 59 TYR B OH 317 N N . PRO A 42 ? 0.8859 0.6113 0.5528 0.1057 -0.1128 0.0971 60 PRO B N 318 C CA . PRO A 42 ? 0.9336 0.6471 0.5903 0.0879 -0.1207 0.0994 60 PRO B CA 319 C C . PRO A 42 ? 0.9903 0.6484 0.5988 0.0898 -0.1343 0.0999 60 PRO B C 320 O O . PRO A 42 ? 1.0433 0.6879 0.6392 0.0762 -0.1418 0.1028 60 PRO B O 321 C CB . PRO A 42 ? 0.8830 0.6311 0.5663 0.1005 -0.1198 0.1064 60 PRO B CB 322 C CG . PRO A 42 ? 0.8794 0.6326 0.5628 0.1333 -0.1175 0.1094 60 PRO B CG 323 C CD . PRO A 42 ? 0.8233 0.5693 0.5023 0.1358 -0.1107 0.1030 60 PRO B CD 324 N N . ASP A 43 ? 1.0064 0.6304 0.5859 0.1064 -0.1382 0.0973 61 ASP B N 325 C CA . ASP A 43 ? 1.0814 0.6488 0.6120 0.1138 -0.1528 0.0983 61 ASP B CA 326 C C . ASP A 43 ? 1.0894 0.6182 0.5902 0.0835 -0.1617 0.0966 61 ASP B C 327 O O . ASP A 43 ? 1.1553 0.6407 0.6188 0.0813 -0.1753 0.0995 61 ASP B O 328 C CB . ASP A 43 ? 1.1707 0.7118 0.6766 0.1444 -0.1547 0.0956 61 ASP B CB 329 C CG . ASP A 43 ? 1.2111 0.7618 0.7270 0.1412 -0.1461 0.0898 61 ASP B CG 330 O OD1 . ASP A 43 ? 1.2453 0.7612 0.7355 0.1231 -0.1524 0.0858 61 ASP B OD1 331 O OD2 . ASP A 43 ? 1.2356 0.8298 0.7857 0.1556 -0.1337 0.0901 61 ASP B OD2 332 N N . LYS A 44 ? 1.0851 0.6294 0.6012 0.0606 -0.1550 0.0929 62 LYS B N 333 C CA . LYS A 44 ? 1.1160 0.6310 0.6081 0.0305 -0.1623 0.0927 62 LYS B CA 334 C C . LYS A 44 ? 1.2106 0.6636 0.6523 0.0359 -0.1767 0.0917 62 LYS B C 335 O O . LYS A 44 ? 1.2401 0.6581 0.6522 0.0125 -0.1879 0.0944 62 LYS B O 336 C CB . LYS A 44 ? 1.0257 0.5398 0.5133 0.0091 -0.1672 0.0979 62 LYS B CB 337 C CG . LYS A 44 ? 0.9670 0.5362 0.4984 -0.0011 -0.1548 0.0981 62 LYS B CG 338 C CD . LYS A 44 ? 1.0244 0.5878 0.5451 -0.0224 -0.1602 0.1030 62 LYS B CD 339 C CE . LYS A 44 ? 0.9930 0.6066 0.5523 -0.0329 -0.1487 0.1022 62 LYS B CE 340 N NZ . LYS A 44 ? 0.9742 0.5820 0.5205 -0.0538 -0.1532 0.1066 62 LYS B NZ 341 N N . LYS A 45 ? 1.2501 0.6877 0.6794 0.0664 -0.1773 0.0885 63 LYS B N 342 C CA . LYS A 45 ? 1.3362 0.7102 0.7135 0.0737 -0.1919 0.0864 63 LYS B CA 343 C C . LYS A 45 ? 1.3397 0.7033 0.7111 0.0494 -0.1935 0.0834 63 LYS B C 344 O O . LYS A 45 ? 1.3641 0.6757 0.6937 0.0338 -0.2091 0.0848 63 LYS B O 345 C CB . LYS A 45 ? 1.3720 0.7359 0.7380 0.1151 -0.1904 0.0830 63 LYS B CB 346 C CG . LYS A 45 ? 1.4052 0.7675 0.7656 0.1423 -0.1932 0.0870 63 LYS B CG 347 C CD . LYS A 45 ? 1.5566 0.8477 0.8581 0.1462 -0.2135 0.0886 63 LYS B CD 348 C CE . LYS A 45 ? 1.6422 0.8766 0.8961 0.1633 -0.2234 0.0827 63 LYS B CE 349 N NZ . LYS A 45 ? 1.6824 0.8426 0.8756 0.1687 -0.2448 0.0838 63 LYS B NZ 350 N N . PHE A 46 ? 1.2476 0.6593 0.6598 0.0454 -0.1786 0.0800 64 PHE B N 351 C CA . PHE A 46 ? 1.1770 0.5869 0.5897 0.0244 -0.1788 0.0774 64 PHE B CA 352 C C . PHE A 46 ? 1.0920 0.5421 0.5373 -0.0093 -0.1715 0.0803 64 PHE B C 353 O O . PHE A 46 ? 1.0368 0.5353 0.5212 -0.0092 -0.1589 0.0809 64 PHE B O 354 C CB . PHE A 46 ? 1.1276 0.5613 0.5606 0.0445 -0.1676 0.0716 64 PHE B CB 355 C CG . PHE A 46 ? 1.1011 0.5279 0.5303 0.0261 -0.1697 0.0687 64 PHE B CG 356 C CD1 . PHE A 46 ? 1.0606 0.5361 0.5312 0.0048 -0.1583 0.0685 64 PHE B CD1 357 C CD2 . PHE A 46 ? 1.1534 0.5239 0.5363 0.0309 -0.1839 0.0663 64 PHE B CD2 358 C CE1 . PHE A 46 ? 1.1032 0.5750 0.5720 -0.0115 -0.1607 0.0667 64 PHE B CE1 359 C CE2 . PHE A 46 ? 1.1698 0.5343 0.5494 0.0131 -0.1873 0.0644 64 PHE B CE2 360 C CZ . PHE A 46 ? 1.1371 0.5543 0.5612 -0.0083 -0.1754 0.0650 64 PHE B CZ 361 N N . SER A 47 ? 1.0674 0.4975 0.4956 -0.0377 -0.1800 0.0826 65 SER B N 362 C CA . SER A 47 ? 1.0906 0.5585 0.5465 -0.0696 -0.1734 0.0859 65 SER B CA 363 C C . SER A 47 ? 1.0785 0.5720 0.5570 -0.0769 -0.1661 0.0821 65 SER B C 364 O O . SER A 47 ? 1.1173 0.5796 0.5708 -0.0879 -0.1769 0.0827 65 SER B O 365 C CB . SER A 47 ? 1.2240 0.6570 0.6467 -0.0982 -0.1880 0.0936 65 SER B CB 366 O OG . SER A 47 ? 1.2826 0.7554 0.7316 -0.1280 -0.1806 0.0975 65 SER B OG 367 N N . TYR A 48 ? 1.0347 0.5833 0.5592 -0.0713 -0.1491 0.0785 66 TYR B N 368 C CA . TYR A 48 ? 0.9582 0.5343 0.5068 -0.0773 -0.1416 0.0749 66 TYR B CA 369 C C . TYR A 48 ? 0.9579 0.5404 0.5064 -0.1111 -0.1455 0.0796 66 TYR B C 370 O O . TYR A 48 ? 0.9992 0.5765 0.5443 -0.1199 -0.1493 0.0790 66 TYR B O 371 C CB . TYR A 48 ? 0.8928 0.5247 0.4891 -0.0661 -0.1237 0.0709 66 TYR B CB 372 C CG . TYR A 48 ? 0.8560 0.4904 0.4585 -0.0339 -0.1187 0.0677 66 TYR B CG 373 C CD1 . TYR A 48 ? 0.8609 0.4861 0.4585 -0.0160 -0.1180 0.0637 66 TYR B CD1 374 C CD2 . TYR A 48 ? 0.8207 0.4693 0.4346 -0.0216 -0.1146 0.0694 66 TYR B CD2 375 C CE1 . TYR A 48 ? 0.8813 0.5137 0.4856 0.0138 -0.1122 0.0622 66 TYR B CE1 376 C CE2 . TYR A 48 ? 0.8510 0.5076 0.4733 0.0069 -0.1099 0.0683 66 TYR B CE2 377 C CZ . TYR A 48 ? 0.8842 0.5341 0.5023 0.0248 -0.1081 0.0650 66 TYR B CZ 378 O OH . TYR A 48 ? 0.9313 0.5939 0.5589 0.0534 -0.1023 0.0654 66 TYR B OH 379 N N . SER A 49 ? 0.9704 0.5668 0.5234 -0.1302 -0.1444 0.0850 67 SER B N 380 C CA . SER A 49 ? 0.9763 0.5768 0.5244 -0.1631 -0.1494 0.0919 67 SER B CA 381 C C . SER A 49 ? 1.0218 0.6283 0.5658 -0.1777 -0.1492 0.0982 67 SER B C 382 O O . SER A 49 ? 0.9945 0.6071 0.5447 -0.1626 -0.1440 0.0961 67 SER B O 383 C CB . SER A 49 ? 0.8940 0.5446 0.4801 -0.1734 -0.1375 0.0900 67 SER B CB 384 O OG . SER A 49 ? 0.9160 0.6130 0.5403 -0.1610 -0.1206 0.0848 67 SER B OG 385 N N . SER A 50 ? 1.0897 0.6950 0.6228 -0.2079 -0.1554 0.1069 68 SER B N 386 C CA . SER A 50 ? 1.1286 0.7390 0.6545 -0.2251 -0.1557 0.1144 68 SER B CA 387 C C . SER A 50 ? 1.1299 0.7575 0.6563 -0.2593 -0.1581 0.1243 68 SER B C 388 O O . SER A 50 ? 1.1514 0.7674 0.6699 -0.2716 -0.1666 0.1273 68 SER B O 389 C CB . SER A 50 ? 1.2209 0.7745 0.7036 -0.2200 -0.1712 0.1181 68 SER B CB 390 O OG . SER A 50 ? 1.3384 0.8412 0.7820 -0.2331 -0.1901 0.1237 68 SER B OG 391 N N . GLY A 51 ? 1.1581 0.8147 0.6936 -0.2744 -0.1508 0.1300 69 GLY B N 392 C CA . GLY A 51 ? 1.2192 0.8990 0.7567 -0.3069 -0.1513 0.1413 69 GLY B CA 393 C C . GLY A 51 ? 1.2881 0.9679 0.8106 -0.3220 -0.1517 0.1500 69 GLY B C 394 O O . GLY A 51 ? 1.2671 0.9516 0.7935 -0.3065 -0.1446 0.1450 69 GLY B O 395 N N . HIS A 52 ? 1.3517 1.0258 0.8562 -0.3536 -0.1610 0.1640 70 HIS B N 396 C CA . HIS A 52 ? 1.3577 1.0338 0.8462 -0.3726 -0.1618 0.1747 70 HIS B CA 397 C C . HIS A 52 ? 1.2413 0.9856 0.7620 -0.3883 -0.1444 0.1798 70 HIS B C 398 O O . HIS A 52 ? 1.2049 0.9798 0.7443 -0.4022 -0.1418 0.1842 70 HIS B O 399 C CB . HIS A 52 ? 1.5300 1.1545 0.9746 -0.3990 -0.1843 0.1890 70 HIS B CB 400 C CG . HIS A 52 ? 1.6931 1.2462 1.0981 -0.3828 -0.2020 0.1850 70 HIS B CG 401 N ND1 . HIS A 52 ? 1.7544 1.2765 1.1542 -0.3597 -0.2082 0.1745 70 HIS B ND1 402 C CD2 . HIS A 52 ? 1.7836 1.2902 1.1508 -0.3849 -0.2147 0.1904 70 HIS B CD2 403 C CE1 . HIS A 52 ? 1.8087 1.2696 1.1696 -0.3469 -0.2234 0.1733 70 HIS B CE1 404 N NE2 . HIS A 52 ? 1.8402 1.2898 1.1809 -0.3618 -0.2281 0.1828 70 HIS B NE2 405 N N . VAL A 53 ? 1.2212 0.9893 0.7475 -0.3849 -0.1327 0.1793 71 VAL B N 406 C CA . VAL A 53 ? 1.2014 1.0325 0.7534 -0.3966 -0.1153 0.1836 71 VAL B CA 407 C C . VAL A 53 ? 1.2817 1.1084 0.8087 -0.4171 -0.1178 0.1965 71 VAL B C 408 O O . VAL A 53 ? 1.3373 1.1265 0.8395 -0.4090 -0.1246 0.1948 71 VAL B O 409 C CB . VAL A 53 ? 1.1067 0.9777 0.6924 -0.3691 -0.0957 0.1684 71 VAL B CB 410 C CG1 . VAL A 53 ? 1.0420 0.9257 0.6552 -0.3529 -0.0919 0.1580 71 VAL B CG1 411 C CG2 . VAL A 53 ? 1.1023 0.9436 0.6747 -0.3478 -0.0972 0.1599 71 VAL B CG2 412 N N . HIS A 54 ? 1.2840 1.1505 0.8176 -0.4437 -0.1124 0.2102 72 HIS B N 413 C CA . HIS A 54 ? 1.3408 1.2108 0.8523 -0.4658 -0.1131 0.2244 72 HIS B CA 414 C C . HIS A 54 ? 1.3270 1.2537 0.8606 -0.4562 -0.0902 0.2198 72 HIS B C 415 O O . HIS A 54 ? 1.3175 1.2969 0.8855 -0.4481 -0.0741 0.2143 72 HIS B O 416 C CB . HIS A 54 ? 1.3764 1.2554 0.8785 -0.5036 -0.1224 0.2450 72 HIS B CB 417 C CG . HIS A 54 ? 1.4709 1.3527 0.9550 -0.5216 -0.1258 0.2556 72 HIS B CG 418 N ND1 . HIS A 54 ? 1.5389 1.3670 0.9881 -0.5192 -0.1387 0.2552 72 HIS B ND1 419 C CD2 . HIS A 54 ? 1.5022 1.4360 1.0009 -0.5394 -0.1183 0.2653 72 HIS B CD2 420 C CE1 . HIS A 54 ? 1.5644 1.4098 1.0068 -0.5363 -0.1390 0.2643 72 HIS B CE1 421 N NE2 . HIS A 54 ? 1.5554 1.4650 1.0270 -0.5487 -0.1265 0.2709 72 HIS B NE2 422 N N . LEU A 55 ? 1.3472 1.2604 0.8587 -0.4559 -0.0895 0.2218 73 LEU B N 423 C CA . LEU A 55 ? 1.3270 1.2848 0.8511 -0.4459 -0.0698 0.2170 73 LEU B CA 424 C C . LEU A 55 ? 1.3962 1.3661 0.8973 -0.4733 -0.0692 0.2351 73 LEU B C 425 O O . LEU A 55 ? 1.4540 1.3770 0.9200 -0.4847 -0.0841 0.2431 73 LEU B O 426 C CB . LEU A 55 ? 1.2832 1.2148 0.8026 -0.4167 -0.0689 0.2009 73 LEU B CB 427 C CG . LEU A 55 ? 1.1704 1.0918 0.7126 -0.3889 -0.0689 0.1838 73 LEU B CG 428 C CD1 . LEU A 55 ? 1.1218 1.0122 0.6550 -0.3650 -0.0721 0.1722 73 LEU B CD1 429 C CD2 . LEU A 55 ? 0.9053 0.8833 0.4859 -0.3780 -0.0505 0.1755 73 LEU B CD2 430 N N . SER A 56 ? 1.3989 1.4320 0.9192 -0.4831 -0.0519 0.2419 74 SER B N 431 C CA . SER A 56 ? 1.4868 1.5424 0.9999 -0.5018 -0.0509 0.2538 74 SER B CA 432 C C . SER A 56 ? 1.4357 1.5608 0.9713 -0.4933 -0.0258 0.2517 74 SER B C 433 O O . SER A 56 ? 1.3947 1.5483 0.9498 -0.4745 -0.0105 0.2413 74 SER B O 434 C CB . SER A 56 ? 1.5862 1.6422 1.1035 -0.5276 -0.0659 0.2668 74 SER B CB 435 O OG . SER A 56 ? 1.6056 1.7064 1.1565 -0.5283 -0.0581 0.2671 74 SER B OG 436 N N . SER A 57 ? 1.4651 1.6167 0.9963 -0.5064 -0.0220 0.2616 75 SER B N 437 C CA . SER A 57 ? 1.4068 1.6262 0.9582 -0.4981 0.0015 0.2610 75 SER B CA 438 C C . SER A 57 ? 1.3411 1.6148 0.9302 -0.5000 0.0098 0.2638 75 SER B C 439 O O . SER A 57 ? 1.2872 1.6093 0.8985 -0.4816 0.0298 0.2560 75 SER B O 440 C CB . SER A 57 ? 1.3874 1.6211 0.9242 -0.5126 0.0025 0.2726 75 SER B CB 441 O OG . SER A 57 ? 1.3518 1.5365 0.8541 -0.5096 -0.0050 0.2696 75 SER B OG 442 N N . GLU A 58 ? 1.3561 1.6210 0.9515 -0.5215 -0.0067 0.2745 76 GLU B N 443 C CA . GLU A 58 ? 1.3877 1.6952 1.0176 -0.5232 -0.0029 0.2766 76 GLU B CA 444 C C . GLU A 58 ? 1.3493 1.6530 0.9941 -0.5007 0.0046 0.2616 76 GLU B C 445 O O . GLU A 58 ? 1.2945 1.6494 0.9714 -0.4905 0.0182 0.2583 76 GLU B O 446 C CB . GLU A 58 ? 1.4908 1.7724 1.1162 -0.5498 -0.0268 0.2890 76 GLU B CB 447 C CG . GLU A 58 ? 1.5524 1.8638 1.2088 -0.5526 -0.0284 0.2907 76 GLU B CG 448 C CD . GLU A 58 ? 1.6273 2.0130 1.3124 -0.5606 -0.0177 0.3020 76 GLU B CD 449 O OE1 . GLU A 58 ? 1.6445 2.0570 1.3241 -0.5659 -0.0099 0.3096 76 GLU B OE1 450 O OE2 . GLU A 58 ? 1.6520 2.0697 1.3651 -0.5611 -0.0174 0.3037 76 GLU B OE2 451 N N . ASN A 59 ? 1.3822 1.6267 1.0043 -0.4920 -0.0042 0.2526 77 ASN B N 452 C CA . ASN A 59 ? 1.3389 1.5726 0.9726 -0.4702 0.0004 0.2380 77 ASN B CA 453 C C . ASN A 59 ? 1.2666 1.5148 0.9060 -0.4385 0.0171 0.2198 77 ASN B C 454 O O . ASN A 59 ? 1.1674 1.4093 0.8252 -0.4122 0.0200 0.2020 77 ASN B O 455 C CB . ASN A 59 ? 1.3395 1.4983 0.9528 -0.4677 -0.0216 0.2321 77 ASN B CB 456 C CG . ASN A 59 ? 1.3323 1.4827 0.9695 -0.4512 -0.0254 0.2196 77 ASN B CG 457 O OD1 . ASN A 59 ? 1.3227 1.5207 0.9909 -0.4487 -0.0152 0.2190 77 ASN B OD1 458 N ND2 . ASN A 59 ? 1.3869 1.4777 1.0097 -0.4390 -0.0399 0.2100 77 ASN B ND2 459 N N . LYS A 60 ? 1.2767 1.5421 0.8988 -0.4411 0.0272 0.2245 78 LYS B N 460 C CA . LYS A 60 ? 1.2231 1.4897 0.8404 -0.4132 0.0393 0.2079 78 LYS B CA 461 C C . LYS A 60 ? 1.1716 1.3755 0.7766 -0.3954 0.0258 0.1928 78 LYS B C 462 O O . LYS A 60 ? 1.1082 1.3095 0.7182 -0.3688 0.0328 0.1758 78 LYS B O 463 C CB . LYS A 60 ? 1.1932 1.5138 0.8417 -0.3899 0.0590 0.1961 78 LYS B CB 464 C CG . LYS A 60 ? 1.2444 1.6342 0.9037 -0.4022 0.0758 0.2103 78 LYS B CG 465 C CD . LYS A 60 ? 1.2553 1.6940 0.9376 -0.3735 0.0964 0.1965 78 LYS B CD 466 C CE . LYS A 60 ? 1.3000 1.8065 0.9931 -0.3799 0.1130 0.2090 78 LYS B CE 467 N NZ . LYS A 60 ? 1.3000 1.8530 1.0081 -0.3500 0.1343 0.1960 78 LYS B NZ 468 N N . PHE A 61 ? 1.2078 1.3614 0.7959 -0.4099 0.0059 0.1997 79 PHE B N 469 C CA . PHE A 61 ? 1.1939 1.2887 0.7693 -0.3944 -0.0082 0.1883 79 PHE B CA 470 C C . PHE A 61 ? 1.1554 1.2523 0.7590 -0.3664 -0.0042 0.1697 79 PHE B C 471 O O . PHE A 61 ? 1.1457 1.2207 0.7471 -0.3448 -0.0051 0.1563 79 PHE B O 472 C CB . PHE A 61 ? 1.1972 1.2705 0.7448 -0.3889 -0.0085 0.1860 79 PHE B CB 473 C CG . PHE A 61 ? 1.2651 1.3271 0.7812 -0.4166 -0.0153 0.2047 79 PHE B CG 474 C CD1 . PHE A 61 ? 1.2842 1.3922 0.7961 -0.4302 -0.0011 0.2154 79 PHE B CD1 475 C CD2 . PHE A 61 ? 1.3131 1.3185 0.8024 -0.4287 -0.0360 0.2121 79 PHE B CD2 476 C CE1 . PHE A 61 ? 1.3458 1.4441 0.8301 -0.4561 -0.0078 0.2331 79 PHE B CE1 477 C CE2 . PHE A 61 ? 1.3833 1.3751 0.8416 -0.4553 -0.0436 0.2301 79 PHE B CE2 478 C CZ . PHE A 61 ? 1.3957 1.4348 0.8565 -0.4673 -0.0301 0.2386 79 PHE B CZ 479 N N . GLN A 62 ? 1.1538 1.2778 0.7841 -0.3681 -0.0007 0.1701 80 GLN B N 480 C CA . GLN A 62 ? 1.1412 1.2663 0.7983 -0.3449 0.0015 0.1548 80 GLN B CA 481 C C . GLN A 62 ? 1.0897 1.2096 0.7586 -0.3566 -0.0079 0.1610 80 GLN B C 482 O O . GLN A 62 ? 1.0850 1.2324 0.7577 -0.3789 -0.0070 0.1749 80 GLN B O 483 C CB . GLN A 62 ? 1.1399 1.3169 0.8219 -0.3277 0.0211 0.1453 80 GLN B CB 484 C CG . GLN A 62 ? 1.1430 1.3210 0.8129 -0.3115 0.0297 0.1358 80 GLN B CG 485 C CD . GLN A 62 ? 1.1582 1.3801 0.8500 -0.2915 0.0471 0.1247 80 GLN B CD 486 O OE1 . GLN A 62 ? 1.1666 1.4322 0.8788 -0.2954 0.0566 0.1291 80 GLN B OE1 487 N NE2 . GLN A 62 ? 1.1701 1.3795 0.8570 -0.2697 0.0503 0.1103 80 GLN B NE2 488 N N . ASN A 63 ? 1.0863 1.1721 0.7606 -0.3420 -0.0173 0.1512 81 ASN B N 489 C CA . ASN A 63 ? 1.0882 1.1625 0.7694 -0.3515 -0.0277 0.1558 81 ASN B CA 490 C C . ASN A 63 ? 1.0631 1.1239 0.7628 -0.3263 -0.0285 0.1406 81 ASN B C 491 O O . ASN A 63 ? 1.0500 1.1056 0.7551 -0.3038 -0.0233 0.1281 81 ASN B O 492 C CB . ASN A 63 ? 1.1229 1.1470 0.7709 -0.3718 -0.0473 0.1678 81 ASN B CB 493 C CG . ASN A 63 ? 1.1135 1.1393 0.7631 -0.3944 -0.0569 0.1796 81 ASN B CG 494 O OD1 . ASN A 63 ? 1.0823 1.1308 0.7577 -0.3885 -0.0532 0.1752 81 ASN B OD1 495 N ND2 . ASN A 63 ? 1.1179 1.1183 0.7388 -0.4213 -0.0705 0.1953 81 ASN B ND2 496 N N . SER A 64 ? 1.0665 1.1217 0.7752 -0.3313 -0.0359 0.1427 82 SER B N 497 C CA . SER A 64 ? 0.9459 0.9926 0.6730 -0.3096 -0.0363 0.1301 82 SER B CA 498 C C . SER A 64 ? 0.9677 0.9703 0.6788 -0.3167 -0.0539 0.1342 82 SER B C 499 O O . SER A 64 ? 1.0151 1.0084 0.7106 -0.3413 -0.0640 0.1472 82 SER B O 500 C CB . SER A 64 ? 0.9086 1.0077 0.6702 -0.3035 -0.0228 0.1260 82 SER B CB 501 O OG . SER A 64 ? 0.9546 1.0440 0.7324 -0.2859 -0.0247 0.1158 82 SER B OG 502 N N . ALA A 65 ? 0.9476 0.9224 0.6610 -0.2951 -0.0580 0.1234 83 ALA B N 503 C CA . ALA A 65 ? 0.9349 0.8655 0.6313 -0.2961 -0.0738 0.1248 83 ALA B CA 504 C C . ALA A 65 ? 0.9235 0.8566 0.6414 -0.2725 -0.0701 0.1128 83 ALA B C 505 O O . ALA A 65 ? 0.9121 0.8510 0.6427 -0.2508 -0.0621 0.1028 83 ALA B O 506 C CB . ALA A 65 ? 0.9843 0.8607 0.6456 -0.2937 -0.0869 0.1267 83 ALA B CB 507 N N . ILE A 66 ? 0.8816 0.8092 0.6020 -0.2778 -0.0768 0.1145 84 ILE B N 508 C CA . ILE A 66 ? 0.8459 0.7771 0.5858 -0.2575 -0.0736 0.1044 84 ILE B CA 509 C C . ILE A 66 ? 0.8484 0.7253 0.5628 -0.2459 -0.0871 0.1017 84 ILE B C 510 O O . ILE A 66 ? 0.8923 0.7351 0.5806 -0.2596 -0.1018 0.1084 84 ILE B O 511 C CB . ILE A 66 ? 0.8117 0.7741 0.5716 -0.2687 -0.0720 0.1076 84 ILE B CB 512 C CG1 . ILE A 66 ? 0.7969 0.8163 0.5816 -0.2774 -0.0576 0.1106 84 ILE B CG1 513 C CG2 . ILE A 66 ? 0.6868 0.6501 0.4643 -0.2479 -0.0695 0.0975 84 ILE B CG2 514 C CD1 . ILE A 66 ? 0.8183 0.8729 0.6217 -0.2921 -0.0570 0.1170 84 ILE B CD1 515 N N . LEU A 67 ? 0.8078 0.6765 0.5286 -0.2205 -0.0825 0.0923 85 LEU B N 516 C CA . LEU A 67 ? 0.8067 0.6299 0.5061 -0.2043 -0.0926 0.0891 85 LEU B CA 517 C C . LEU A 67 ? 0.8183 0.6511 0.5376 -0.1856 -0.0879 0.0811 85 LEU B C 518 O O . LEU A 67 ? 0.7693 0.6427 0.5207 -0.1809 -0.0757 0.0765 85 LEU B O 519 C CB . LEU A 67 ? 0.8054 0.6115 0.4947 -0.1894 -0.0923 0.0868 85 LEU B CB 520 C CG . LEU A 67 ? 0.8781 0.6579 0.5371 -0.2047 -0.1015 0.0950 85 LEU B CG 521 C CD1 . LEU A 67 ? 0.9619 0.7077 0.5909 -0.2243 -0.1167 0.1031 85 LEU B CD1 522 C CD2 . LEU A 67 ? 0.8322 0.6482 0.5043 -0.2188 -0.0918 0.0982 85 LEU B CD2 523 N N . THR A 68 ? 0.8327 0.6261 0.5306 -0.1742 -0.0978 0.0795 86 THR B N 524 C CA . THR A 68 ? 0.8073 0.6059 0.5194 -0.1569 -0.0944 0.0729 86 THR B CA 525 C C . THR A 68 ? 0.7827 0.5432 0.4736 -0.1335 -0.1000 0.0695 86 THR B C 526 O O . THR A 68 ? 0.8407 0.5557 0.4949 -0.1355 -0.1135 0.0727 86 THR B O 527 C CB . THR A 68 ? 0.8601 0.6558 0.5682 -0.1714 -0.1014 0.0756 86 THR B CB 528 O OG1 . THR A 68 ? 0.8842 0.7243 0.6179 -0.1899 -0.0941 0.0789 86 THR B OG1 529 C CG2 . THR A 68 ? 0.8568 0.6515 0.5740 -0.1523 -0.0993 0.0689 86 THR B CG2 530 N N . ILE A 69 ? 0.7123 0.4913 0.4250 -0.1112 -0.0901 0.0637 87 ILE B N 531 C CA . ILE A 69 ? 0.8585 0.6108 0.5566 -0.0864 -0.0930 0.0610 87 ILE B CA 532 C C . ILE A 69 ? 0.8595 0.6030 0.5541 -0.0798 -0.0953 0.0580 87 ILE B C 533 O O . ILE A 69 ? 0.6962 0.4717 0.4198 -0.0744 -0.0858 0.0546 87 ILE B O 534 C CB . ILE A 69 ? 0.8137 0.5930 0.5378 -0.0673 -0.0819 0.0583 87 ILE B CB 535 C CG1 . ILE A 69 ? 0.6894 0.4776 0.4164 -0.0754 -0.0805 0.0611 87 ILE B CG1 536 C CG2 . ILE A 69 ? 0.7073 0.4641 0.4174 -0.0410 -0.0843 0.0572 87 ILE B CG2 537 C CD1 . ILE A 69 ? 0.6596 0.4743 0.4121 -0.0600 -0.0716 0.0593 87 ILE B CD1 538 N N . GLN A 70 ? 0.8984 0.5958 0.5551 -0.0802 -0.1089 0.0593 88 GLN B N 539 C CA . GLN A 70 ? 0.8371 0.5199 0.4842 -0.0744 -0.1131 0.0564 88 GLN B CA 540 C C . GLN A 70 ? 0.8009 0.4883 0.4555 -0.0439 -0.1052 0.0516 88 GLN B C 541 O O . GLN A 70 ? 0.8281 0.4978 0.4682 -0.0248 -0.1057 0.0515 88 GLN B O 542 C CB . GLN A 70 ? 0.9453 0.5711 0.5440 -0.0819 -0.1317 0.0588 88 GLN B CB 543 C CG . GLN A 70 ? 1.0551 0.6750 0.6442 -0.1149 -0.1415 0.0658 88 GLN B CG 544 C CD . GLN A 70 ? 1.1462 0.7971 0.7583 -0.1347 -0.1398 0.0674 88 GLN B CD 545 O OE1 . GLN A 70 ? 1.2121 0.8823 0.8432 -0.1235 -0.1331 0.0626 88 GLN B OE1 546 N NE2 . GLN A 70 ? 1.1693 0.8268 0.7801 -0.1642 -0.1461 0.0750 88 GLN B NE2 547 N N . PRO A 71 ? 0.8033 0.5153 0.4803 -0.0384 -0.0978 0.0484 89 PRO B N 548 C CA . PRO A 71 ? 0.7943 0.5132 0.4787 -0.0103 -0.0898 0.0454 89 PRO B CA 549 C C . PRO A 71 ? 0.8680 0.5395 0.5104 0.0098 -0.0987 0.0441 89 PRO B C 550 O O . PRO A 71 ? 0.9227 0.5954 0.5643 0.0345 -0.0931 0.0440 89 PRO B O 551 C CB . PRO A 71 ? 0.7080 0.4542 0.4168 -0.0134 -0.0838 0.0429 89 PRO B CB 552 C CG . PRO A 71 ? 0.7391 0.5072 0.4656 -0.0407 -0.0845 0.0446 89 PRO B CG 553 C CD . PRO A 71 ? 0.8002 0.5364 0.4969 -0.0572 -0.0966 0.0483 89 PRO B CD 554 N N . LYS A 72 ? 0.8906 0.5200 0.4968 0.0001 -0.1129 0.0436 90 LYS B N 555 C CA . LYS A 72 ? 0.9897 0.5673 0.5497 0.0203 -0.1229 0.0414 90 LYS B CA 556 C C . LYS A 72 ? 1.0637 0.6164 0.6014 0.0320 -0.1270 0.0433 90 LYS B C 557 O O . LYS A 72 ? 1.1443 0.6636 0.6501 0.0578 -0.1308 0.0412 90 LYS B O 558 C CB . LYS A 72 ? 1.0757 0.6092 0.5989 0.0033 -0.1403 0.0410 90 LYS B CB 559 C CG . LYS A 72 ? 1.1017 0.6579 0.6447 -0.0084 -0.1382 0.0397 90 LYS B CG 560 C CD . LYS A 72 ? 1.1240 0.6910 0.6735 0.0192 -0.1284 0.0352 90 LYS B CD 561 C CE . LYS A 72 ? 1.1412 0.7236 0.7043 0.0085 -0.1286 0.0338 90 LYS B CE 562 N NZ . LYS A 72 ? 1.1374 0.7309 0.7061 0.0348 -0.1187 0.0302 90 LYS B NZ 563 N N . GLN A 73 ? 1.0018 0.5698 0.5541 0.0151 -0.1263 0.0473 91 GLN B N 564 C CA . GLN A 73 ? 1.0067 0.5529 0.5395 0.0248 -0.1307 0.0497 91 GLN B CA 565 C C . GLN A 73 ? 0.9492 0.5307 0.5100 0.0490 -0.1168 0.0502 91 GLN B C 566 O O . GLN A 73 ? 0.9642 0.5355 0.5151 0.0578 -0.1192 0.0529 91 GLN B O 567 C CB . GLN A 73 ? 1.0315 0.5778 0.5656 -0.0045 -0.1365 0.0545 91 GLN B CB 568 C CG . GLN A 73 ? 1.0836 0.5881 0.5828 -0.0288 -0.1536 0.0567 91 GLN B CG 569 C CD . GLN A 73 ? 1.1342 0.6483 0.6399 -0.0594 -0.1570 0.0631 91 GLN B CD 570 O OE1 . GLN A 73 ? 1.0379 0.5993 0.5816 -0.0665 -0.1444 0.0644 91 GLN B OE1 571 N NE2 . GLN A 73 ? 1.2472 0.7151 0.7135 -0.0780 -0.1747 0.0674 91 GLN B NE2 572 N N . LEU A 74 ? 0.9462 0.5687 0.5412 0.0590 -0.1034 0.0487 92 LEU B N 573 C CA . LEU A 74 ? 0.9464 0.6054 0.5700 0.0795 -0.0910 0.0509 92 LEU B CA 574 C C . LEU A 74 ? 1.0697 0.7244 0.6833 0.1103 -0.0865 0.0496 92 LEU B C 575 O O . LEU A 74 ? 1.1487 0.7971 0.7561 0.1115 -0.0862 0.0462 92 LEU B O 576 C CB . LEU A 74 ? 0.8249 0.5387 0.4986 0.0657 -0.0788 0.0518 92 LEU B CB 577 C CG . LEU A 74 ? 0.7696 0.4949 0.4562 0.0390 -0.0806 0.0533 92 LEU B CG 578 C CD1 . LEU A 74 ? 0.7310 0.5026 0.4598 0.0258 -0.0701 0.0524 92 LEU B CD1 579 C CD2 . LEU A 74 ? 0.7381 0.4638 0.4237 0.0456 -0.0815 0.0572 92 LEU B CD2 580 N N . PRO A 75 ? 1.0999 0.7590 0.7112 0.1359 -0.0829 0.0527 93 PRO B N 581 C CA . PRO A 75 ? 1.1282 0.7903 0.7324 0.1672 -0.0764 0.0526 93 PRO B CA 582 C C . PRO A 75 ? 1.1681 0.8794 0.8138 0.1664 -0.0628 0.0540 93 PRO B C 583 O O . PRO A 75 ? 1.1382 0.8847 0.8211 0.1456 -0.0576 0.0554 93 PRO B O 584 C CB . PRO A 75 ? 1.1064 0.7756 0.7096 0.1910 -0.0743 0.0578 93 PRO B CB 585 C CG . PRO A 75 ? 1.0969 0.7852 0.7241 0.1694 -0.0755 0.0613 93 PRO B CG 586 C CD . PRO A 75 ? 1.1153 0.7777 0.7294 0.1382 -0.0849 0.0571 93 PRO B CD 587 N N . GLY A 76 ? 1.3878 1.0997 1.0243 0.1903 -0.0573 0.0536 94 GLY B N 588 C CA . GLY A 76 ? 1.4859 1.2395 1.1563 0.1909 -0.0453 0.0554 94 GLY B CA 589 C C . GLY A 76 ? 1.6447 1.4281 1.3269 0.2209 -0.0341 0.0619 94 GLY B C 590 O O . GLY A 76 ? 1.6242 1.3862 1.2763 0.2477 -0.0355 0.0624 94 GLY B O 591 N N . GLY A 77 ? 1.7991 1.6332 1.5254 0.2161 -0.0230 0.0675 95 GLY B N 592 C CA . GLY A 77 ? 1.8626 1.7315 1.6042 0.2411 -0.0115 0.0755 95 GLY B CA 593 C C . GLY A 77 ? 1.8861 1.7934 1.6569 0.2476 -0.0066 0.0854 95 GLY B C 594 O O . GLY A 77 ? 1.9298 1.8746 1.7408 0.2300 -0.0030 0.0904 95 GLY B O 595 N N . GLN A 78 ? 1.7526 1.6495 1.5022 0.2732 -0.0075 0.0884 96 GLN B N 596 C CA . GLN A 78 ? 1.6436 1.5854 1.4222 0.2867 -0.0008 0.1004 96 GLN B CA 597 C C . GLN A 78 ? 1.5104 1.4596 1.3076 0.2675 -0.0074 0.1027 96 GLN B C 598 O O . GLN A 78 ? 1.4882 1.4818 1.3264 0.2565 -0.0032 0.1111 96 GLN B O 599 C CB . GLN A 78 ? 1.7183 1.6501 1.4677 0.3248 0.0015 0.1034 96 GLN B CB 600 C CG . GLN A 78 ? 1.7223 1.7131 1.5058 0.3435 0.0126 0.1181 96 GLN B CG 601 C CD . GLN A 78 ? 1.7037 1.7425 1.5274 0.3322 0.0230 0.1255 96 GLN B CD 602 O OE1 . GLN A 78 ? 1.6785 1.7601 1.5447 0.3158 0.0251 0.1348 96 GLN B OE1 603 N NE2 . GLN A 78 ? 1.7087 1.7381 1.5170 0.3404 0.0285 0.1216 96 GLN B NE2 604 N N . ASN A 79 ? 1.3834 1.2883 1.1492 0.2626 -0.0186 0.0959 97 ASN B N 605 C CA . ASN A 79 ? 1.2090 1.1164 0.9865 0.2461 -0.0254 0.0979 97 ASN B CA 606 C C . ASN A 79 ? 0.9881 0.8637 0.7543 0.2156 -0.0339 0.0886 97 ASN B C 607 O O . ASN A 79 ? 1.0070 0.8405 0.7405 0.2120 -0.0442 0.0838 97 ASN B O 608 C CB . ASN A 79 ? 1.3140 1.2016 1.0657 0.2689 -0.0313 0.1006 97 ASN B CB 609 C CG . ASN A 79 ? 1.4739 1.3031 1.1711 0.2854 -0.0385 0.0921 97 ASN B CG 610 O OD1 . ASN A 79 ? 1.5257 1.3094 1.1931 0.2726 -0.0504 0.0857 97 ASN B OD1 611 N ND2 . ASN A 79 ? 1.5400 1.3689 1.2220 0.3135 -0.0319 0.0924 97 ASN B ND2 612 N N . PRO A 80 ? 0.7865 0.6825 0.5792 0.1932 -0.0299 0.0866 98 PRO B N 613 C CA . PRO A 80 ? 0.7389 0.6095 0.5219 0.1659 -0.0365 0.0784 98 PRO B CA 614 C C . PRO A 80 ? 0.7200 0.5928 0.5119 0.1471 -0.0419 0.0794 98 PRO B C 615 O O . PRO A 80 ? 0.6350 0.5366 0.4504 0.1495 -0.0399 0.0862 98 PRO B O 616 C CB . PRO A 80 ? 0.7286 0.6268 0.5402 0.1531 -0.0291 0.0771 98 PRO B CB 617 C CG . PRO A 80 ? 0.6810 0.6260 0.5282 0.1627 -0.0206 0.0864 98 PRO B CG 618 C CD . PRO A 80 ? 0.7160 0.6599 0.5488 0.1916 -0.0196 0.0925 98 PRO B CD 619 N N . VAL A 81 ? 0.7502 0.5921 0.5220 0.1273 -0.0495 0.0732 99 VAL B N 620 C CA . VAL A 81 ? 0.6981 0.5383 0.4731 0.1086 -0.0548 0.0737 99 VAL B CA 621 C C . VAL A 81 ? 0.6704 0.5500 0.4847 0.0910 -0.0484 0.0743 99 VAL B C 622 O O . VAL A 81 ? 0.6484 0.5401 0.4767 0.0817 -0.0436 0.0707 99 VAL B O 623 C CB . VAL A 81 ? 0.7191 0.5174 0.4611 0.0917 -0.0644 0.0683 99 VAL B CB 624 C CG1 . VAL A 81 ? 0.6837 0.4843 0.4305 0.0704 -0.0683 0.0693 99 VAL B CG1 625 C CG2 . VAL A 81 ? 0.7394 0.4927 0.4383 0.1097 -0.0731 0.0679 99 VAL B CG2 626 N N . SER A 82 ? 0.6678 0.5655 0.4982 0.0871 -0.0493 0.0788 100 SER B N 627 C CA . SER A 82 ? 0.5932 0.5208 0.4544 0.0697 -0.0457 0.0787 100 SER B CA 628 C C . SER A 82 ? 0.5870 0.5028 0.4396 0.0495 -0.0510 0.0759 100 SER B C 629 O O . SER A 82 ? 0.5560 0.4870 0.4249 0.0329 -0.0481 0.0725 100 SER B O 630 C CB . SER A 82 ? 0.6019 0.5640 0.4915 0.0794 -0.0429 0.0870 100 SER B CB 631 O OG . SER A 82 ? 0.7104 0.6907 0.6125 0.0958 -0.0364 0.0908 100 SER B OG 632 N N . TYR A 83 ? 0.6233 0.5120 0.4493 0.0512 -0.0587 0.0773 101 TYR B N 633 C CA . TYR A 83 ? 0.6713 0.5493 0.4874 0.0328 -0.0639 0.0762 101 TYR B CA 634 C C . TYR A 83 ? 0.6871 0.5237 0.4654 0.0273 -0.0716 0.0743 101 TYR B C 635 O O . TYR A 83 ? 0.7170 0.5282 0.4724 0.0424 -0.0757 0.0749 101 TYR B O 636 C CB . TYR A 83 ? 0.6634 0.5515 0.4864 0.0374 -0.0678 0.0822 101 TYR B CB 637 C CG . TYR A 83 ? 0.6375 0.5645 0.4964 0.0395 -0.0629 0.0857 101 TYR B CG 638 C CD1 . TYR A 83 ? 0.5799 0.5242 0.4563 0.0221 -0.0605 0.0824 101 TYR B CD1 639 C CD2 . TYR A 83 ? 0.6142 0.5605 0.4882 0.0591 -0.0613 0.0927 101 TYR B CD2 640 C CE1 . TYR A 83 ? 0.5795 0.5542 0.4853 0.0227 -0.0583 0.0859 101 TYR B CE1 641 C CE2 . TYR A 83 ? 0.6046 0.5863 0.5113 0.0585 -0.0584 0.0976 101 TYR B CE2 642 C CZ . TYR A 83 ? 0.6316 0.6250 0.5530 0.0395 -0.0578 0.0940 101 TYR B CZ 643 O OH . TYR A 83 ? 0.6899 0.7135 0.6405 0.0378 -0.0571 0.0992 101 TYR B OH 644 N N . VAL A 84 ? 0.6541 0.4836 0.4243 0.0054 -0.0740 0.0724 102 VAL B N 645 C CA . VAL A 84 ? 0.7654 0.5570 0.5000 -0.0048 -0.0830 0.0728 102 VAL B CA 646 C C . VAL A 84 ? 0.8275 0.6191 0.5574 -0.0187 -0.0866 0.0755 102 VAL B C 647 O O . VAL A 84 ? 0.8697 0.6898 0.6233 -0.0218 -0.0817 0.0755 102 VAL B O 648 C CB . VAL A 84 ? 0.6941 0.4774 0.4209 -0.0213 -0.0825 0.0692 102 VAL B CB 649 C CG1 . VAL A 84 ? 0.7058 0.4831 0.4316 -0.0070 -0.0808 0.0666 102 VAL B CG1 650 C CG2 . VAL A 84 ? 0.6615 0.4790 0.4153 -0.0386 -0.0740 0.0664 102 VAL B CG2 651 N N . TYR A 85 ? 0.8382 0.5948 0.5348 -0.0272 -0.0961 0.0780 103 TYR B N 652 C CA . TYR A 85 ? 0.8124 0.5642 0.4987 -0.0412 -0.1004 0.0812 103 TYR B CA 653 C C . TYR A 85 ? 0.8204 0.5712 0.4990 -0.0675 -0.0993 0.0805 103 TYR B C 654 O O . TYR A 85 ? 0.8925 0.6191 0.5502 -0.0755 -0.1045 0.0811 103 TYR B O 655 C CB . TYR A 85 ? 0.8598 0.5729 0.5127 -0.0321 -0.1127 0.0861 103 TYR B CB 656 C CG . TYR A 85 ? 0.8665 0.5912 0.5294 -0.0175 -0.1144 0.0897 103 TYR B CG 657 C CD1 . TYR A 85 ? 0.8263 0.5829 0.5135 -0.0258 -0.1093 0.0898 103 TYR B CD1 658 C CD2 . TYR A 85 ? 0.8876 0.5912 0.5345 0.0054 -0.1217 0.0932 103 TYR B CD2 659 C CE1 . TYR A 85 ? 0.7758 0.5434 0.4724 -0.0142 -0.1125 0.0940 103 TYR B CE1 660 C CE2 . TYR A 85 ? 0.8538 0.5722 0.5123 0.0186 -0.1238 0.0978 103 TYR B CE2 661 C CZ . TYR A 85 ? 0.8178 0.5685 0.5019 0.0075 -0.1196 0.0985 103 TYR B CZ 662 O OH . TYR A 85 ? 0.7674 0.5333 0.4634 0.0186 -0.1232 0.1039 103 TYR B OH 663 N N . LEU A 86 ? 0.7778 0.5556 0.4725 -0.0806 -0.0931 0.0796 104 LEU B N 664 C CA . LEU A 86 ? 0.7833 0.5633 0.4686 -0.1049 -0.0919 0.0809 104 LEU B CA 665 C C . LEU A 86 ? 0.8185 0.5750 0.4763 -0.1138 -0.1006 0.0868 104 LEU B C 666 O O . LEU A 86 ? 0.8373 0.5999 0.4994 -0.1073 -0.1013 0.0875 104 LEU B O 667 C CB . LEU A 86 ? 0.7005 0.5215 0.4146 -0.1121 -0.0798 0.0763 104 LEU B CB 668 C CG . LEU A 86 ? 0.7073 0.5387 0.4142 -0.1351 -0.0764 0.0781 104 LEU B CG 669 C CD1 . LEU A 86 ? 0.7232 0.5437 0.4178 -0.1490 -0.0792 0.0813 104 LEU B CD1 670 C CD2 . LEU A 86 ? 0.6761 0.5467 0.4096 -0.1369 -0.0643 0.0724 104 LEU B CD2 671 N N . GLU A 87 ? 0.8565 0.5854 0.4855 -0.1296 -0.1083 0.0919 105 GLU B N 672 C CA . GLU A 87 ? 0.9168 0.6160 0.5144 -0.1379 -0.1188 0.0986 105 GLU B CA 673 C C . GLU A 87 ? 0.8998 0.6007 0.4838 -0.1663 -0.1187 0.1040 105 GLU B C 674 O O . GLU A 87 ? 0.8604 0.5625 0.4435 -0.1788 -0.1182 0.1051 105 GLU B O 675 C CB . GLU A 87 ? 1.0116 0.6631 0.5782 -0.1260 -0.1328 0.1016 105 GLU B CB 676 C CG . GLU A 87 ? 1.1383 0.7541 0.6703 -0.1311 -0.1454 0.1087 105 GLU B CG 677 C CD . GLU A 87 ? 1.2397 0.8037 0.7367 -0.1193 -0.1601 0.1110 105 GLU B CD 678 O OE1 . GLU A 87 ? 1.2204 0.7622 0.7009 -0.1283 -0.1653 0.1117 105 GLU B OE1 679 O OE2 . GLU A 87 ? 1.3174 0.8621 0.8024 -0.1003 -0.1671 0.1123 105 GLU B OE2 680 N N . VAL A 88 ? 0.9332 0.6363 0.5070 -0.1767 -0.1194 0.1081 106 VAL B N 681 C CA . VAL A 88 ? 0.9666 0.6699 0.5232 -0.2037 -0.1201 0.1155 106 VAL B CA 682 C C . VAL A 88 ? 1.0227 0.6856 0.5424 -0.2089 -0.1339 0.1235 106 VAL B C 683 O O . VAL A 88 ? 1.0798 0.7384 0.5975 -0.1967 -0.1361 0.1225 106 VAL B O 684 C CB . VAL A 88 ? 0.8565 0.6051 0.4345 -0.2124 -0.1057 0.1131 106 VAL B CB 685 C CG1 . VAL A 88 ? 0.8794 0.6327 0.4402 -0.2400 -0.1053 0.1223 106 VAL B CG1 686 C CG2 . VAL A 88 ? 0.9022 0.6878 0.5157 -0.2041 -0.0931 0.1046 106 VAL B CG2 687 N N . VAL A 89 ? 1.0681 0.7002 0.5580 -0.2273 -0.1446 0.1320 107 VAL B N 688 C CA . VAL A 89 ? 1.1518 0.7395 0.6023 -0.2338 -0.1598 0.1405 107 VAL B CA 689 C C . VAL A 89 ? 1.2374 0.8267 0.6698 -0.2665 -0.1614 0.1514 107 VAL B C 690 O O . VAL A 89 ? 1.2654 0.8683 0.7039 -0.2835 -0.1586 0.1545 107 VAL B O 691 C CB . VAL A 89 ? 1.1812 0.7159 0.6044 -0.2209 -0.1759 0.1410 107 VAL B CB 692 C CG1 . VAL A 89 ? 1.3189 0.8034 0.6968 -0.2316 -0.1932 0.1509 107 VAL B CG1 693 C CG2 . VAL A 89 ? 1.1537 0.6895 0.5928 -0.1873 -0.1739 0.1323 107 VAL B CG2 694 N N . SER A 90 ? 1.2737 0.8518 0.6848 -0.2757 -0.1659 0.1582 108 SER B N 695 C CA . SER A 90 ? 1.3046 0.8819 0.6944 -0.3071 -0.1685 0.1708 108 SER B CA 696 C C . SER A 90 ? 1.3362 0.8729 0.6886 -0.3104 -0.1822 0.1786 108 SER B C 697 O O . SER A 90 ? 1.3238 0.8362 0.6694 -0.2877 -0.1891 0.1738 108 SER B O 698 C CB . SER A 90 ? 1.2558 0.8923 0.6725 -0.3186 -0.1494 0.1702 108 SER B CB 699 O OG . SER A 90 ? 1.2035 0.8557 0.6272 -0.3060 -0.1424 0.1649 108 SER B OG 700 N N . LYS A 91 ? 1.3710 0.9022 0.6995 -0.3394 -0.1863 0.1917 109 LYS B N 701 C CA . LYS A 91 ? 1.4288 0.9238 0.7209 -0.3454 -0.1988 0.2002 109 LYS B CA 702 C C . LYS A 91 ? 1.3680 0.8835 0.6724 -0.3280 -0.1906 0.1934 109 LYS B C 703 O O . LYS A 91 ? 1.3318 0.8126 0.6122 -0.3188 -0.2026 0.1956 109 LYS B O 704 C CB . LYS A 91 ? 1.5249 1.0224 0.7948 -0.3815 -0.2011 0.2162 109 LYS B CB 705 C CG . LYS A 91 ? 1.6415 1.1319 0.9106 -0.4013 -0.2077 0.2210 109 LYS B CG 706 C CD . LYS A 91 ? 1.6952 1.2107 0.9636 -0.4330 -0.2053 0.2314 109 LYS B CD 707 C CE . LYS A 91 ? 1.7110 1.1929 0.9509 -0.4396 -0.2181 0.2357 109 LYS B CE 708 N NZ . LYS A 91 ? 1.7481 1.1663 0.9589 -0.4383 -0.2417 0.2352 109 LYS B NZ 709 N N . HIS A 92 ? 1.3521 0.9217 0.6923 -0.3229 -0.1716 0.1853 110 HIS B N 710 C CA . HIS A 92 ? 1.3409 0.9328 0.6909 -0.3115 -0.1636 0.1797 110 HIS B CA 711 C C . HIS A 92 ? 1.3211 0.9192 0.6973 -0.2805 -0.1616 0.1667 110 HIS B C 712 O O . HIS A 92 ? 1.3319 0.9229 0.7037 -0.2679 -0.1657 0.1647 110 HIS B O 713 C CB . HIS A 92 ? 1.3537 0.9990 0.7228 -0.3244 -0.1447 0.1788 110 HIS B CB 714 C CG . HIS A 92 ? 1.4202 1.0703 0.7684 -0.3556 -0.1441 0.1931 110 HIS B CG 715 N ND1 . HIS A 92 ? 1.4236 1.1114 0.7898 -0.3708 -0.1323 0.1959 110 HIS B ND1 716 C CD2 . HIS A 92 ? 1.4322 1.0563 0.7438 -0.3750 -0.1540 0.2064 110 HIS B CD2 717 C CE1 . HIS A 92 ? 1.4450 1.1322 0.7878 -0.3989 -0.1348 0.2111 110 HIS B CE1 718 N NE2 . HIS A 92 ? 1.4525 1.1002 0.7611 -0.4024 -0.1479 0.2178 110 HIS B NE2 719 N N . PHE A 93 ? 1.2838 0.8962 0.6871 -0.2686 -0.1559 0.1588 111 PHE B N 720 C CA . PHE A 93 ? 1.2136 0.8419 0.6464 -0.2417 -0.1512 0.1474 111 PHE B CA 721 C C . PHE A 93 ? 1.2607 0.8772 0.7049 -0.2276 -0.1542 0.1430 111 PHE B C 722 O O . PHE A 93 ? 1.2888 0.8944 0.7247 -0.2399 -0.1565 0.1466 111 PHE B O 723 C CB . PHE A 93 ? 1.0555 0.7344 0.5197 -0.2409 -0.1336 0.1394 111 PHE B CB 724 C CG . PHE A 93 ? 1.0226 0.7311 0.4990 -0.2573 -0.1216 0.1400 111 PHE B CG 725 C CD1 . PHE A 93 ? 1.0253 0.7521 0.4904 -0.2786 -0.1148 0.1464 111 PHE B CD1 726 C CD2 . PHE A 93 ? 0.9707 0.6905 0.4699 -0.2510 -0.1172 0.1348 111 PHE B CD2 727 C CE1 . PHE A 93 ? 1.0587 0.8176 0.5371 -0.2929 -0.1036 0.1482 111 PHE B CE1 728 C CE2 . PHE A 93 ? 0.9886 0.7375 0.5002 -0.2658 -0.1071 0.1361 111 PHE B CE2 729 C CZ . PHE A 93 ? 1.0543 0.8242 0.5566 -0.2866 -0.1002 0.1430 111 PHE B CZ 730 N N . SER A 94 ? 1.2298 0.8495 0.6927 -0.2020 -0.1544 0.1358 112 SER B N 731 C CA . SER A 94 ? 1.2439 0.8585 0.7210 -0.1848 -0.1550 0.1306 112 SER B CA 732 C C . SER A 94 ? 1.1966 0.8430 0.7093 -0.1632 -0.1466 0.1222 112 SER B C 733 O O . SER A 94 ? 1.1715 0.8127 0.6840 -0.1489 -0.1523 0.1227 112 SER B O 734 C CB . SER A 94 ? 1.2897 0.8533 0.7356 -0.1741 -0.1716 0.1351 112 SER B CB 735 O OG . SER A 94 ? 1.3075 0.8597 0.7479 -0.1568 -0.1789 0.1361 112 SER B OG 736 N N . LYS A 95 ? 1.1514 0.8309 0.6944 -0.1617 -0.1342 0.1154 113 LYS B N 737 C CA . LYS A 95 ? 1.1042 0.8153 0.6814 -0.1448 -0.1262 0.1081 113 LYS B CA 738 C C . LYS A 95 ? 1.1072 0.8290 0.7061 -0.1335 -0.1207 0.1029 113 LYS B C 739 O O . LYS A 95 ? 1.1278 0.8511 0.7255 -0.1449 -0.1168 0.1023 113 LYS B O 740 C CB . LYS A 95 ? 1.0636 0.8093 0.6564 -0.1553 -0.1153 0.1043 113 LYS B CB 741 C CG . LYS A 95 ? 1.0275 0.8036 0.6540 -0.1406 -0.1082 0.0969 113 LYS B CG 742 C CD . LYS A 95 ? 1.0511 0.8206 0.6786 -0.1267 -0.1169 0.0989 113 LYS B CD 743 C CE . LYS A 95 ? 1.1035 0.8688 0.7127 -0.1376 -0.1206 0.1017 113 LYS B CE 744 N NZ . LYS A 95 ? 1.0494 0.8425 0.6698 -0.1464 -0.1100 0.0955 113 LYS B NZ 745 N N . SER A 96 ? 1.0867 0.8171 0.7053 -0.1118 -0.1206 0.0999 114 SER B N 746 C CA . SER A 96 ? 1.0539 0.7956 0.6933 -0.0990 -0.1151 0.0954 114 SER B CA 747 C C . SER A 96 ? 0.9820 0.7596 0.6569 -0.0876 -0.1073 0.0909 114 SER B C 748 O O . SER A 96 ? 0.9590 0.7475 0.6399 -0.0870 -0.1088 0.0918 114 SER B O 749 C CB . SER A 96 ? 1.1090 0.8192 0.7316 -0.0813 -0.1244 0.0981 114 SER B CB 750 O OG . SER A 96 ? 1.1787 0.8835 0.7995 -0.0650 -0.1311 0.1016 114 SER B OG 751 N N . LYS A 97 ? 0.8651 0.6596 0.5623 -0.0795 -0.1001 0.0865 115 LYS B N 752 C CA . LYS A 97 ? 0.7693 0.5969 0.5000 -0.0707 -0.0931 0.0828 115 LYS B CA 753 C C . LYS A 97 ? 0.7389 0.5733 0.4857 -0.0561 -0.0891 0.0809 115 LYS B C 754 O O . LYS A 97 ? 0.6858 0.5075 0.4227 -0.0587 -0.0880 0.0794 115 LYS B O 755 C CB . LYS A 97 ? 0.6809 0.5326 0.4244 -0.0854 -0.0843 0.0775 115 LYS B CB 756 C CG . LYS A 97 ? 0.6505 0.5303 0.4233 -0.0784 -0.0797 0.0739 115 LYS B CG 757 C CD . LYS A 97 ? 0.7213 0.6214 0.5045 -0.0894 -0.0703 0.0671 115 LYS B CD 758 C CE . LYS A 97 ? 0.8372 0.7589 0.6444 -0.0835 -0.0681 0.0635 115 LYS B CE 759 N NZ . LYS A 97 ? 0.9532 0.8716 0.7535 -0.0853 -0.0752 0.0657 115 LYS B NZ 760 N N . ARG A 98 ? 0.7101 0.5650 0.4812 -0.0416 -0.0875 0.0817 116 ARG B N 761 C CA . ARG A 98 ? 0.6412 0.5069 0.4294 -0.0269 -0.0829 0.0808 116 ARG B CA 762 C C . ARG A 98 ? 0.6988 0.5881 0.5089 -0.0349 -0.0733 0.0747 116 ARG B C 763 O O . ARG A 98 ? 0.7000 0.6105 0.5279 -0.0406 -0.0704 0.0727 116 ARG B O 764 C CB . ARG A 98 ? 0.6320 0.5139 0.4383 -0.0091 -0.0851 0.0863 116 ARG B CB 765 C CG . ARG A 98 ? 0.6809 0.5710 0.4992 0.0092 -0.0811 0.0876 116 ARG B CG 766 C CD . ARG A 98 ? 0.6869 0.6024 0.5285 0.0239 -0.0821 0.0947 116 ARG B CD 767 N NE . ARG A 98 ? 0.6794 0.6250 0.5502 0.0147 -0.0784 0.0940 116 ARG B NE 768 C CZ . ARG A 98 ? 0.7069 0.6795 0.6028 0.0224 -0.0794 0.1009 116 ARG B CZ 769 N NH1 . ARG A 98 ? 0.7143 0.6925 0.6122 0.0406 -0.0826 0.1093 116 ARG B NH1 770 N NH2 . ARG A 98 ? 0.7384 0.7324 0.6567 0.0122 -0.0779 0.1000 116 ARG B NH2 771 N N . MET A 99 ? 0.6613 0.5449 0.4685 -0.0349 -0.0696 0.0717 117 MET B N 772 C CA . MET A 99 ? 0.6578 0.5612 0.4831 -0.0417 -0.0612 0.0661 117 MET B CA 773 C C . MET A 99 ? 0.6348 0.5481 0.4766 -0.0266 -0.0574 0.0658 117 MET B C 774 O O . MET A 99 ? 0.6495 0.5442 0.4768 -0.0166 -0.0601 0.0675 117 MET B O 775 C CB . MET A 99 ? 0.7591 0.6499 0.5672 -0.0572 -0.0605 0.0636 117 MET B CB 776 C CG . MET A 99 ? 0.7675 0.6503 0.5580 -0.0734 -0.0633 0.0650 117 MET B CG 777 S SD . MET A 99 ? 0.8040 0.7183 0.6144 -0.0831 -0.0550 0.0599 117 MET B SD 778 C CE . MET A 99 ? 0.7649 0.6954 0.5862 -0.0910 -0.0467 0.0552 117 MET B CE 779 N N . PRO A 100 ? 0.6096 0.5496 0.4788 -0.0243 -0.0516 0.0640 118 PRO B N 780 C CA . PRO A 100 ? 0.5907 0.5408 0.4746 -0.0120 -0.0473 0.0641 118 PRO B CA 781 C C . PRO A 100 ? 0.5319 0.4762 0.4103 -0.0183 -0.0437 0.0590 118 PRO B C 782 O O . PRO A 100 ? 0.5324 0.4770 0.4065 -0.0334 -0.0423 0.0552 118 PRO B O 783 C CB . PRO A 100 ? 0.5614 0.5396 0.4742 -0.0117 -0.0438 0.0642 118 PRO B CB 784 C CG . PRO A 100 ? 0.5816 0.5610 0.4923 -0.0201 -0.0483 0.0652 118 PRO B CG 785 C CD . PRO A 100 ? 0.5302 0.4894 0.4157 -0.0316 -0.0501 0.0623 118 PRO B CD 786 N N . ILE A 101 ? 0.5773 0.5173 0.4551 -0.0062 -0.0424 0.0597 119 ILE B N 787 C CA . ILE A 101 ? 0.5906 0.5258 0.4645 -0.0113 -0.0401 0.0554 119 ILE B CA 788 C C . ILE A 101 ? 0.5709 0.5276 0.4686 -0.0025 -0.0338 0.0545 119 ILE B C 789 O O . ILE A 101 ? 0.5621 0.5305 0.4725 0.0109 -0.0323 0.0587 119 ILE B O 790 C CB . ILE A 101 ? 0.5670 0.4694 0.4107 -0.0069 -0.0462 0.0564 119 ILE B CB 791 C CG1 . ILE A 101 ? 0.5720 0.4682 0.4117 0.0160 -0.0467 0.0599 119 ILE B CG1 792 C CG2 . ILE A 101 ? 0.5910 0.4690 0.4088 -0.0176 -0.0538 0.0581 119 ILE B CG2 793 C CD1 . ILE A 101 ? 0.6350 0.4947 0.4412 0.0235 -0.0533 0.0596 119 ILE B CD1 794 N N . THR A 102 ? 0.5757 0.5394 0.4800 -0.0106 -0.0305 0.0500 120 THR B N 795 C CA . THR A 102 ? 0.5901 0.5693 0.5125 -0.0031 -0.0256 0.0490 120 THR B CA 796 C C . THR A 102 ? 0.5828 0.5464 0.4905 -0.0027 -0.0270 0.0469 120 THR B C 797 O O . THR A 102 ? 0.5097 0.4586 0.4008 -0.0148 -0.0310 0.0451 120 THR B O 798 C CB . THR A 102 ? 0.5852 0.5884 0.5310 -0.0114 -0.0209 0.0451 120 THR B CB 799 O OG1 . THR A 102 ? 0.5674 0.5695 0.5068 -0.0260 -0.0207 0.0408 120 THR B OG1 800 C CG2 . THR A 102 ? 0.7277 0.7430 0.6858 -0.0117 -0.0211 0.0471 120 THR B CG2 801 N N . TYR A 103 ? 0.5776 0.5448 0.4910 0.0104 -0.0244 0.0480 121 TYR B N 802 C CA . TYR A 103 ? 0.5809 0.5333 0.4804 0.0120 -0.0263 0.0458 121 TYR B CA 803 C C . TYR A 103 ? 0.5775 0.5492 0.4964 0.0050 -0.0224 0.0424 121 TYR B C 804 O O . TYR A 103 ? 0.7336 0.6983 0.6463 0.0082 -0.0234 0.0411 121 TYR B O 805 C CB . TYR A 103 ? 0.5883 0.5299 0.4768 0.0324 -0.0260 0.0490 121 TYR B CB 806 C CG . TYR A 103 ? 0.5833 0.5024 0.4483 0.0420 -0.0308 0.0521 121 TYR B CG 807 C CD1 . TYR A 103 ? 0.5444 0.4773 0.4208 0.0497 -0.0287 0.0569 121 TYR B CD1 808 C CD2 . TYR A 103 ? 0.5761 0.4584 0.4062 0.0432 -0.0386 0.0505 121 TYR B CD2 809 C CE1 . TYR A 103 ? 0.5708 0.4842 0.4261 0.0600 -0.0334 0.0599 121 TYR B CE1 810 C CE2 . TYR A 103 ? 0.6807 0.5392 0.4868 0.0536 -0.0438 0.0530 121 TYR B CE2 811 C CZ . TYR A 103 ? 0.6691 0.5445 0.4887 0.0627 -0.0407 0.0576 121 TYR B CZ 812 O OH . TYR A 103 ? 0.7662 0.6191 0.5624 0.0745 -0.0462 0.0604 121 TYR B OH 813 N N . ASP A 104 ? 0.4751 0.4693 0.4155 -0.0037 -0.0187 0.0405 122 ASP B N 814 C CA . ASP A 104 ? 0.4718 0.4845 0.4302 -0.0092 -0.0153 0.0368 122 ASP B CA 815 C C . ASP A 104 ? 0.4858 0.4973 0.4370 -0.0251 -0.0176 0.0339 122 ASP B C 816 O O . ASP A 104 ? 0.4816 0.4981 0.4326 -0.0346 -0.0171 0.0332 122 ASP B O 817 C CB . ASP A 104 ? 0.4828 0.5176 0.4650 -0.0083 -0.0110 0.0362 122 ASP B CB 818 C CG . ASP A 104 ? 0.6146 0.6663 0.6147 -0.0093 -0.0078 0.0327 122 ASP B CG 819 O OD1 . ASP A 104 ? 0.6325 0.6846 0.6296 -0.0149 -0.0084 0.0300 122 ASP B OD1 820 O OD2 . ASP A 104 ? 0.7318 0.7961 0.7489 -0.0049 -0.0057 0.0332 122 ASP B OD2 821 N N . ASN A 105 ? 0.4569 0.4633 0.4022 -0.0285 -0.0202 0.0331 123 ASN B N 822 C CA . ASN A 105 ? 0.4655 0.4738 0.4051 -0.0450 -0.0233 0.0324 123 ASN B CA 823 C C . ASN A 105 ? 0.4554 0.4790 0.4084 -0.0467 -0.0224 0.0305 123 ASN B C 824 O O . ASN A 105 ? 0.4619 0.4736 0.4082 -0.0398 -0.0254 0.0309 123 ASN B O 825 C CB . ASN A 105 ? 0.4969 0.4739 0.4060 -0.0512 -0.0321 0.0355 123 ASN B CB 826 C CG . ASN A 105 ? 0.5631 0.5432 0.4661 -0.0713 -0.0365 0.0372 123 ASN B CG 827 O OD1 . ASN A 105 ? 0.5410 0.5385 0.4562 -0.0780 -0.0360 0.0367 123 ASN B OD1 828 N ND2 . ASN A 105 ? 0.6563 0.6212 0.5411 -0.0815 -0.0410 0.0404 123 ASN B ND2 829 N N . GLY A 106 ? 0.4416 0.4913 0.4122 -0.0547 -0.0184 0.0285 124 GLY B N 830 C CA . GLY A 106 ? 0.4414 0.5088 0.4257 -0.0570 -0.0180 0.0272 124 GLY B CA 831 C C . GLY A 106 ? 0.4279 0.5126 0.4342 -0.0446 -0.0122 0.0236 124 GLY B C 832 O O . GLY A 106 ? 0.4065 0.4929 0.4199 -0.0364 -0.0082 0.0223 124 GLY B O 833 N N . PHE A 107 ? 0.4219 0.5186 0.4384 -0.0443 -0.0130 0.0228 125 PHE B N 834 C CA . PHE A 107 ? 0.4519 0.5640 0.4881 -0.0337 -0.0090 0.0197 125 PHE B CA 835 C C . PHE A 107 ? 0.5066 0.6144 0.5423 -0.0303 -0.0131 0.0209 125 PHE B C 836 O O . PHE A 107 ? 0.5057 0.6127 0.5345 -0.0395 -0.0184 0.0227 125 PHE B O 837 C CB . PHE A 107 ? 0.4302 0.5701 0.4836 -0.0364 -0.0043 0.0162 125 PHE B CB 838 C CG . PHE A 107 ? 0.5285 0.6724 0.5793 -0.0405 -0.0004 0.0149 125 PHE B CG 839 C CD1 . PHE A 107 ? 0.5334 0.6737 0.5880 -0.0321 0.0026 0.0122 125 PHE B CD1 840 C CD2 . PHE A 107 ? 0.5297 0.6804 0.5730 -0.0537 -0.0007 0.0171 125 PHE B CD2 841 C CE1 . PHE A 107 ? 0.5175 0.6594 0.5673 -0.0359 0.0052 0.0108 125 PHE B CE1 842 C CE2 . PHE A 107 ? 0.4956 0.6493 0.5345 -0.0573 0.0029 0.0161 125 PHE B CE2 843 C CZ . PHE A 107 ? 0.5046 0.6532 0.5462 -0.0478 0.0059 0.0125 125 PHE B CZ 844 N N . LEU A 108 ? 0.4845 0.5894 0.5268 -0.0179 -0.0114 0.0206 126 LEU B N 845 C CA . LEU A 108 ? 0.4837 0.5833 0.5244 -0.0126 -0.0148 0.0218 126 LEU B CA 846 C C . LEU A 108 ? 0.4585 0.5751 0.5198 -0.0048 -0.0117 0.0197 126 LEU B C 847 O O . LEU A 108 ? 0.4311 0.5454 0.4981 0.0039 -0.0088 0.0204 126 LEU B O 848 C CB . LEU A 108 ? 0.4250 0.5010 0.4486 -0.0040 -0.0160 0.0250 126 LEU B CB 849 C CG . LEU A 108 ? 0.4275 0.4796 0.4249 -0.0090 -0.0212 0.0266 126 LEU B CG 850 C CD1 . LEU A 108 ? 0.4321 0.4653 0.4148 0.0036 -0.0198 0.0293 126 LEU B CD1 851 C CD2 . LEU A 108 ? 0.4950 0.5387 0.4810 -0.0152 -0.0289 0.0269 126 LEU B CD2 852 N N . PHE A 109 ? 0.3669 0.5006 0.4391 -0.0081 -0.0133 0.0179 127 PHE B N 853 C CA . PHE A 109 ? 0.4492 0.5972 0.5390 0.0002 -0.0118 0.0156 127 PHE B CA 854 C C . PHE A 109 ? 0.4080 0.5491 0.4952 0.0049 -0.0162 0.0180 127 PHE B C 855 O O . PHE A 109 ? 0.3679 0.5111 0.4507 -0.0012 -0.0213 0.0191 127 PHE B O 856 C CB . PHE A 109 ? 0.4712 0.6450 0.5751 -0.0035 -0.0102 0.0123 127 PHE B CB 857 C CG . PHE A 109 ? 0.5472 0.7283 0.6509 -0.0083 -0.0056 0.0101 127 PHE B CG 858 C CD1 . PHE A 109 ? 0.5897 0.7695 0.6978 -0.0011 -0.0015 0.0066 127 PHE B CD1 859 C CD2 . PHE A 109 ? 0.5492 0.7369 0.6466 -0.0210 -0.0062 0.0121 127 PHE B CD2 860 C CE1 . PHE A 109 ? 0.6129 0.7978 0.7184 -0.0052 0.0024 0.0044 127 PHE B CE1 861 C CE2 . PHE A 109 ? 0.5743 0.7689 0.6701 -0.0256 -0.0017 0.0106 127 PHE B CE2 862 C CZ . PHE A 109 ? 0.5903 0.7833 0.6897 -0.0170 0.0029 0.0063 127 PHE B CZ 863 N N . ILE A 110 ? 0.3639 0.4971 0.4532 0.0149 -0.0150 0.0195 128 ILE B N 864 C CA . ILE A 110 ? 0.3608 0.4877 0.4471 0.0207 -0.0185 0.0221 128 ILE B CA 865 C C . ILE A 110 ? 0.3539 0.4968 0.4574 0.0249 -0.0198 0.0198 128 ILE B C 866 O O . ILE A 110 ? 0.3508 0.4983 0.4653 0.0305 -0.0173 0.0181 128 ILE B O 867 C CB . ILE A 110 ? 0.3904 0.5030 0.4698 0.0290 -0.0161 0.0267 128 ILE B CB 868 C CG1 . ILE A 110 ? 0.4266 0.5254 0.4898 0.0276 -0.0142 0.0288 128 ILE B CG1 869 C CG2 . ILE A 110 ? 0.4203 0.5259 0.4933 0.0348 -0.0194 0.0298 128 ILE B CG2 870 C CD1 . ILE A 110 ? 0.4635 0.5554 0.5235 0.0366 -0.0106 0.0345 128 ILE B CD1 871 N N . HIS A 111 ? 0.3652 0.5145 0.4696 0.0227 -0.0250 0.0199 129 HIS B N 872 C CA . HIS A 111 ? 0.3953 0.5613 0.5157 0.0277 -0.0271 0.0180 129 HIS B CA 873 C C . HIS A 111 ? 0.4383 0.5945 0.5535 0.0331 -0.0322 0.0213 129 HIS B C 874 O O . HIS A 111 ? 0.4679 0.6181 0.5720 0.0282 -0.0375 0.0235 129 HIS B O 875 C CB . HIS A 111 ? 0.3991 0.5881 0.5284 0.0200 -0.0291 0.0163 129 HIS B CB 876 C CG . HIS A 111 ? 0.4025 0.6122 0.5488 0.0267 -0.0314 0.0146 129 HIS B CG 877 N ND1 . HIS A 111 ? 0.4479 0.6817 0.6037 0.0207 -0.0351 0.0156 129 HIS B ND1 878 C CD2 . HIS A 111 ? 0.3623 0.5725 0.5174 0.0390 -0.0314 0.0127 129 HIS B CD2 879 C CE1 . HIS A 111 ? 0.4257 0.6755 0.5963 0.0308 -0.0365 0.0140 129 HIS B CE1 880 N NE2 . HIS A 111 ? 0.4046 0.6382 0.5737 0.0422 -0.0346 0.0118 129 HIS B NE2 881 N N . THR A 112 ? 0.4470 0.5993 0.5681 0.0425 -0.0315 0.0222 130 THR B N 882 C CA . THR A 112 ? 0.4500 0.5958 0.5683 0.0483 -0.0364 0.0255 130 THR B CA 883 C C . THR A 112 ? 0.4889 0.6512 0.6234 0.0534 -0.0401 0.0227 130 THR B C 884 O O . THR A 112 ? 0.5432 0.7169 0.6899 0.0567 -0.0376 0.0184 130 THR B O 885 C CB . THR A 112 ? 0.3822 0.5129 0.4954 0.0548 -0.0339 0.0303 130 THR B CB 886 O OG1 . THR A 112 ? 0.4206 0.5548 0.5463 0.0588 -0.0323 0.0285 130 THR B OG1 887 C CG2 . THR A 112 ? 0.3682 0.4868 0.4675 0.0523 -0.0292 0.0335 130 THR B CG2 888 N N . ASP A 113 ? 0.4337 0.5963 0.5665 0.0553 -0.0467 0.0249 131 ASP B N 889 C CA . ASP A 113 ? 0.4304 0.6112 0.5787 0.0608 -0.0511 0.0227 131 ASP B CA 890 C C . ASP A 113 ? 0.4452 0.6219 0.6013 0.0720 -0.0503 0.0211 131 ASP B C 891 O O . ASP A 113 ? 0.4980 0.6901 0.6673 0.0783 -0.0502 0.0165 131 ASP B O 892 C CB . ASP A 113 ? 0.5499 0.7296 0.6932 0.0602 -0.0596 0.0263 131 ASP B CB 893 C CG . ASP A 113 ? 0.5924 0.7490 0.7220 0.0657 -0.0615 0.0310 131 ASP B CG 894 O OD1 . ASP A 113 ? 0.5582 0.6974 0.6707 0.0625 -0.0587 0.0339 131 ASP B OD1 895 O OD2 . ASP A 113 ? 0.5811 0.7376 0.7163 0.0738 -0.0658 0.0322 131 ASP B OD2 896 N N . LYS A 114 ? 0.4562 0.6121 0.6032 0.0749 -0.0499 0.0253 132 LYS B N 897 C CA . LYS A 114 ? 0.3770 0.5235 0.5279 0.0831 -0.0512 0.0254 132 LYS B CA 898 C C . LYS A 114 ? 0.3749 0.5068 0.5192 0.0795 -0.0464 0.0286 132 LYS B C 899 O O . LYS A 114 ? 0.3882 0.5161 0.5237 0.0732 -0.0422 0.0320 132 LYS B O 900 C CB . LYS A 114 ? 0.4530 0.5897 0.6005 0.0891 -0.0581 0.0303 132 LYS B CB 901 C CG . LYS A 114 ? 0.4577 0.6094 0.6130 0.0939 -0.0645 0.0279 132 LYS B CG 902 C CD . LYS A 114 ? 0.5614 0.7015 0.7147 0.1024 -0.0721 0.0317 132 LYS B CD 903 C CE . LYS A 114 ? 0.5929 0.7171 0.7310 0.0988 -0.0738 0.0399 132 LYS B CE 904 N NZ . LYS A 114 ? 0.5792 0.7106 0.7133 0.0968 -0.0790 0.0410 132 LYS B NZ 905 N N . PRO A 115 ? 0.4470 0.5705 0.5947 0.0835 -0.0475 0.0276 133 PRO B N 906 C CA . PRO A 115 ? 0.4144 0.5248 0.5571 0.0789 -0.0448 0.0327 133 PRO B CA 907 C C . PRO A 115 ? 0.4461 0.5423 0.5833 0.0793 -0.0484 0.0425 133 PRO B C 908 O O . PRO A 115 ? 0.4639 0.5537 0.5979 0.0743 -0.0459 0.0494 133 PRO B O 909 C CB . PRO A 115 ? 0.3826 0.4898 0.5299 0.0820 -0.0461 0.0263 133 PRO B CB 910 C CG . PRO A 115 ? 0.4172 0.5268 0.5691 0.0923 -0.0519 0.0212 133 PRO B CG 911 C CD . PRO A 115 ? 0.4487 0.5755 0.6042 0.0924 -0.0512 0.0208 133 PRO B CD 912 N N . VAL A 116 ? 0.4545 0.5473 0.5909 0.0849 -0.0542 0.0443 134 VAL B N 913 C CA . VAL A 116 ? 0.5167 0.5962 0.6469 0.0850 -0.0581 0.0545 134 VAL B CA 914 C C . VAL A 116 ? 0.5362 0.6185 0.6604 0.0878 -0.0597 0.0573 134 VAL B C 915 O O . VAL A 116 ? 0.5534 0.6434 0.6814 0.0924 -0.0633 0.0511 134 VAL B O 916 C CB . VAL A 116 ? 0.5500 0.6148 0.6821 0.0896 -0.0667 0.0544 134 VAL B CB 917 C CG1 . VAL A 116 ? 0.5804 0.6318 0.7056 0.0883 -0.0717 0.0662 134 VAL B CG1 918 C CG2 . VAL A 116 ? 0.6277 0.6854 0.7618 0.0860 -0.0666 0.0520 134 VAL B CG2 919 N N . TYR A 117 ? 0.5024 0.5800 0.6168 0.0854 -0.0571 0.0671 135 TYR B N 920 C CA . TYR A 117 ? 0.5132 0.5900 0.6174 0.0882 -0.0588 0.0702 135 TYR B CA 921 C C . TYR A 117 ? 0.5072 0.5735 0.6038 0.0891 -0.0611 0.0820 135 TYR B C 922 O O . TYR A 117 ? 0.4881 0.5510 0.5857 0.0852 -0.0589 0.0902 135 TYR B O 923 C CB . TYR A 117 ? 0.4905 0.5720 0.5843 0.0859 -0.0521 0.0698 135 TYR B CB 924 C CG . TYR A 117 ? 0.4783 0.5693 0.5771 0.0831 -0.0509 0.0596 135 TYR B CG 925 C CD1 . TYR A 117 ? 0.4104 0.5069 0.5091 0.0838 -0.0563 0.0542 135 TYR B CD1 926 C CD2 . TYR A 117 ? 0.4618 0.5574 0.5652 0.0788 -0.0450 0.0566 135 TYR B CD2 927 C CE1 . TYR A 117 ? 0.4583 0.5659 0.5621 0.0793 -0.0557 0.0470 135 TYR B CE1 928 C CE2 . TYR A 117 ? 0.3896 0.4941 0.4964 0.0752 -0.0440 0.0485 135 TYR B CE2 929 C CZ . TYR A 117 ? 0.4700 0.5811 0.5773 0.0750 -0.0492 0.0442 135 TYR B CZ 930 O OH . TYR A 117 ? 0.4924 0.6147 0.6039 0.0695 -0.0486 0.0380 135 TYR B OH 931 N N . THR A 118 ? 0.5149 0.5772 0.6037 0.0934 -0.0663 0.0838 136 THR B N 932 C CA . THR A 118 ? 0.5301 0.5832 0.6082 0.0945 -0.0684 0.0956 136 THR B CA 933 C C . THR A 118 ? 0.5958 0.6499 0.6564 0.0963 -0.0633 0.0994 136 THR B C 934 O O . THR A 118 ? 0.6269 0.6848 0.6828 0.0971 -0.0620 0.0916 136 THR B O 935 C CB . THR A 118 ? 0.5356 0.5799 0.6152 0.0993 -0.0795 0.0950 136 THR B CB 936 O OG1 . THR A 118 ? 0.5758 0.6276 0.6596 0.1035 -0.0836 0.0845 136 THR B OG1 937 C CG2 . THR A 118 ? 0.4797 0.5152 0.5693 0.0987 -0.0851 0.0950 136 THR B CG2 938 N N . PRO A 119 ? 0.6014 0.6514 0.6503 0.0970 -0.0608 0.1116 137 PRO B N 939 C CA . PRO A 119 ? 0.6052 0.6548 0.6336 0.1011 -0.0548 0.1151 137 PRO B CA 940 C C . PRO A 119 ? 0.6330 0.6762 0.6500 0.1049 -0.0615 0.1072 137 PRO B C 941 O O . PRO A 119 ? 0.5939 0.6344 0.6179 0.1054 -0.0712 0.1032 137 PRO B O 942 C CB . PRO A 119 ? 0.5765 0.6240 0.5961 0.1018 -0.0530 0.1304 137 PRO B CB 943 C CG . PRO A 119 ? 0.5646 0.6149 0.6018 0.0949 -0.0542 0.1364 137 PRO B CG 944 C CD . PRO A 119 ? 0.5705 0.6164 0.6229 0.0936 -0.0625 0.1239 137 PRO B CD 945 N N . ASP A 120 ? 0.6846 0.7249 0.6830 0.1078 -0.0570 0.1050 138 ASP B N 946 C CA . ASP A 120 ? 0.7924 0.8238 0.7746 0.1098 -0.0636 0.0982 138 ASP B CA 947 C C . ASP A 120 ? 0.7703 0.8077 0.7668 0.1045 -0.0697 0.0867 138 ASP B C 948 O O . ASP A 120 ? 0.7599 0.7915 0.7450 0.1035 -0.0767 0.0816 138 ASP B O 949 C CB . ASP A 120 ? 0.8981 0.9208 0.8702 0.1132 -0.0723 0.1027 138 ASP B CB 950 C CG . ASP A 120 ? 0.9975 1.0140 0.9489 0.1188 -0.0663 0.1144 138 ASP B CG 951 O OD1 . ASP A 120 ? 1.0288 1.0372 0.9550 0.1241 -0.0620 0.1144 138 ASP B OD1 952 O OD2 . ASP A 120 ? 1.0612 1.0801 1.0201 0.1182 -0.0661 0.1239 138 ASP B OD2 953 N N . GLN A 121 ? 0.7198 0.7687 0.7398 0.1005 -0.0677 0.0829 139 GLN B N 954 C CA . GLN A 121 ? 0.6475 0.7057 0.6805 0.0957 -0.0716 0.0730 139 GLN B CA 955 C C . GLN A 121 ? 0.6367 0.6928 0.6592 0.0921 -0.0661 0.0690 139 GLN B C 956 O O . GLN A 121 ? 0.6209 0.6704 0.6300 0.0948 -0.0581 0.0732 139 GLN B O 957 C CB . GLN A 121 ? 0.5953 0.6651 0.6537 0.0945 -0.0710 0.0699 139 GLN B CB 958 C CG . GLN A 121 ? 0.6304 0.7007 0.6989 0.0989 -0.0794 0.0709 139 GLN B CG 959 C CD . GLN A 121 ? 0.6869 0.7649 0.7760 0.0998 -0.0797 0.0664 139 GLN B CD 960 O OE1 . GLN A 121 ? 0.7157 0.7953 0.8102 0.0968 -0.0730 0.0655 139 GLN B OE1 961 N NE2 . GLN A 121 ? 0.7130 0.7951 0.8122 0.1052 -0.0880 0.0634 139 GLN B NE2 962 N N . SER A 122 ? 0.6758 0.7383 0.7041 0.0862 -0.0709 0.0615 140 SER B N 963 C CA . SER A 122 ? 0.6622 0.7208 0.6802 0.0811 -0.0681 0.0574 140 SER B CA 964 C C . SER A 122 ? 0.6180 0.6929 0.6584 0.0754 -0.0647 0.0523 140 SER B C 965 O O . SER A 122 ? 0.5223 0.6127 0.5820 0.0731 -0.0693 0.0488 140 SER B O 966 C CB . SER A 122 ? 0.6914 0.7410 0.6925 0.0764 -0.0780 0.0545 140 SER B CB 967 O OG . SER A 122 ? 0.7773 0.8073 0.7512 0.0826 -0.0804 0.0586 140 SER B OG 968 N N . VAL A 123 ? 0.5693 0.6416 0.6065 0.0744 -0.0565 0.0521 141 VAL B N 969 C CA . VAL A 123 ? 0.5090 0.5945 0.5639 0.0691 -0.0526 0.0475 141 VAL B CA 970 C C . VAL A 123 ? 0.4959 0.5825 0.5452 0.0603 -0.0566 0.0426 141 VAL B C 971 O O . VAL A 123 ? 0.4395 0.5103 0.4671 0.0587 -0.0564 0.0428 141 VAL B O 972 C CB . VAL A 123 ? 0.5089 0.5915 0.5632 0.0712 -0.0431 0.0504 141 VAL B CB 973 C CG1 . VAL A 123 ? 0.4772 0.5712 0.5467 0.0655 -0.0400 0.0453 141 VAL B CG1 974 C CG2 . VAL A 123 ? 0.5403 0.6229 0.6006 0.0771 -0.0406 0.0573 141 VAL B CG2 975 N N . LYS A 124 ? 0.4490 0.5540 0.5165 0.0550 -0.0606 0.0387 142 LYS B N 976 C CA . LYS A 124 ? 0.5731 0.6844 0.6398 0.0441 -0.0639 0.0355 142 LYS B CA 977 C C . LYS A 124 ? 0.5484 0.6647 0.6214 0.0408 -0.0557 0.0330 142 LYS B C 978 O O . LYS A 124 ? 0.5672 0.6962 0.6580 0.0445 -0.0504 0.0312 142 LYS B O 979 C CB . LYS A 124 ? 0.6020 0.7371 0.6880 0.0401 -0.0706 0.0340 142 LYS B CB 980 C CG . LYS A 124 ? 0.6123 0.7445 0.6944 0.0437 -0.0797 0.0368 142 LYS B CG 981 C CD . LYS A 124 ? 0.6231 0.7834 0.7269 0.0408 -0.0864 0.0361 142 LYS B CD 982 C CE . LYS A 124 ? 0.6825 0.8391 0.7813 0.0436 -0.0968 0.0393 142 LYS B CE 983 N NZ . LYS A 124 ? 0.7436 0.8760 0.8140 0.0362 -0.1044 0.0416 142 LYS B NZ 984 N N . VAL A 125 ? 0.5319 0.6353 0.5878 0.0342 -0.0557 0.0327 143 VAL B N 985 C CA . VAL A 125 ? 0.5459 0.6502 0.6038 0.0315 -0.0484 0.0310 143 VAL B CA 986 C C . VAL A 125 ? 0.5588 0.6595 0.6061 0.0190 -0.0529 0.0298 143 VAL B C 987 O O . VAL A 125 ? 0.6246 0.7057 0.6492 0.0153 -0.0599 0.0311 143 VAL B O 988 C CB . VAL A 125 ? 0.5458 0.6325 0.5901 0.0400 -0.0418 0.0338 143 VAL B CB 989 C CG1 . VAL A 125 ? 0.5492 0.6128 0.5663 0.0443 -0.0457 0.0364 143 VAL B CG1 990 C CG2 . VAL A 125 ? 0.5593 0.6439 0.6013 0.0362 -0.0364 0.0324 143 VAL B CG2 991 N N . ARG A 126 ? 0.5351 0.6532 0.5968 0.0121 -0.0495 0.0276 144 ARG B N 992 C CA . ARG A 126 ? 0.5263 0.6404 0.5776 -0.0009 -0.0526 0.0277 144 ARG B CA 993 C C . ARG A 126 ? 0.4730 0.5915 0.5299 -0.0014 -0.0441 0.0258 144 ARG B C 994 O O . ARG A 126 ? 0.5286 0.6576 0.6007 0.0067 -0.0370 0.0241 144 ARG B O 995 C CB . ARG A 126 ? 0.5233 0.6601 0.5868 -0.0131 -0.0596 0.0287 144 ARG B CB 996 C CG . ARG A 126 ? 0.4908 0.6625 0.5844 -0.0099 -0.0543 0.0268 144 ARG B CG 997 C CD . ARG A 126 ? 0.4880 0.6865 0.5937 -0.0227 -0.0601 0.0295 144 ARG B CD 998 N NE . ARG A 126 ? 0.5195 0.7512 0.6520 -0.0153 -0.0576 0.0283 144 ARG B NE 999 C CZ . ARG A 126 ? 0.4877 0.7323 0.6292 -0.0138 -0.0649 0.0305 144 ARG B CZ 1000 N NH1 . ARG A 126 ? 0.5127 0.7390 0.6378 -0.0206 -0.0755 0.0341 144 ARG B NH1 1001 N NH2 . ARG A 126 ? 0.4707 0.7454 0.6360 -0.0046 -0.0621 0.0291 144 ARG B NH2 1002 N N . VAL A 127 ? 0.4362 0.5439 0.4786 -0.0114 -0.0461 0.0264 145 VAL B N 1003 C CA . VAL A 127 ? 0.4593 0.5679 0.5031 -0.0126 -0.0392 0.0251 145 VAL B CA 1004 C C . VAL A 127 ? 0.4733 0.5968 0.5214 -0.0279 -0.0414 0.0257 145 VAL B C 1005 O O . VAL A 127 ? 0.4851 0.5997 0.5194 -0.0399 -0.0501 0.0286 145 VAL B O 1006 C CB . VAL A 127 ? 0.4711 0.5495 0.4902 -0.0078 -0.0386 0.0262 145 VAL B CB 1007 C CG1 . VAL A 127 ? 0.4252 0.5046 0.4451 -0.0109 -0.0332 0.0255 145 VAL B CG1 1008 C CG2 . VAL A 127 ? 0.4905 0.5611 0.5087 0.0077 -0.0344 0.0273 145 VAL B CG2 1009 N N . TYR A 128 ? 0.4764 0.6220 0.5423 -0.0280 -0.0340 0.0235 146 TYR B N 1010 C CA . TYR A 128 ? 0.4399 0.6006 0.5086 -0.0416 -0.0337 0.0248 146 TYR B CA 1011 C C . TYR A 128 ? 0.4180 0.5584 0.4704 -0.0439 -0.0311 0.0248 146 TYR B C 1012 O O . TYR A 128 ? 0.3914 0.5280 0.4471 -0.0339 -0.0244 0.0221 146 TYR B O 1013 C CB . TYR A 128 ? 0.3992 0.5953 0.4933 -0.0386 -0.0268 0.0222 146 TYR B CB 1014 C CG . TYR A 128 ? 0.3965 0.6121 0.5077 -0.0320 -0.0288 0.0217 146 TYR B CG 1015 C CD1 . TYR A 128 ? 0.3882 0.6188 0.5036 -0.0421 -0.0363 0.0261 146 TYR B CD1 1016 C CD2 . TYR A 128 ? 0.3891 0.6073 0.5116 -0.0163 -0.0245 0.0176 146 TYR B CD2 1017 C CE1 . TYR A 128 ? 0.4027 0.6521 0.5340 -0.0354 -0.0388 0.0261 146 TYR B CE1 1018 C CE2 . TYR A 128 ? 0.3566 0.5905 0.4931 -0.0094 -0.0271 0.0173 146 TYR B CE2 1019 C CZ . TYR A 128 ? 0.4664 0.7167 0.6078 -0.0183 -0.0339 0.0213 146 TYR B CZ 1020 O OH . TYR A 128 ? 0.4823 0.7492 0.6382 -0.0107 -0.0371 0.0213 146 TYR B OH 1021 N N . SER A 129 ? 0.4207 0.5465 0.4544 -0.0574 -0.0377 0.0283 147 SER B N 1022 C CA . SER A 129 ? 0.5297 0.6299 0.5428 -0.0589 -0.0376 0.0288 147 SER B CA 1023 C C . SER A 129 ? 0.5389 0.6495 0.5506 -0.0752 -0.0382 0.0316 147 SER B C 1024 O O . SER A 129 ? 0.5930 0.7045 0.5977 -0.0908 -0.0464 0.0363 147 SER B O 1025 C CB . SER A 129 ? 0.5509 0.6138 0.5348 -0.0577 -0.0464 0.0305 147 SER B CB 1026 O OG . SER A 129 ? 0.6879 0.7254 0.6510 -0.0566 -0.0466 0.0309 147 SER B OG 1027 N N . LEU A 130 ? 0.4889 0.6071 0.5062 -0.0727 -0.0304 0.0297 148 LEU B N 1028 C CA . LEU A 130 ? 0.5051 0.6321 0.5189 -0.0872 -0.0299 0.0326 148 LEU B CA 1029 C C . LEU A 130 ? 0.5513 0.6494 0.5441 -0.0863 -0.0304 0.0329 148 LEU B C 1030 O O . LEU A 130 ? 0.5175 0.6011 0.5076 -0.0719 -0.0272 0.0298 148 LEU B O 1031 C CB . LEU A 130 ? 0.4652 0.6293 0.5028 -0.0854 -0.0200 0.0302 148 LEU B CB 1032 C CG . LEU A 130 ? 0.4697 0.6697 0.5302 -0.0859 -0.0182 0.0304 148 LEU B CG 1033 C CD1 . LEU A 130 ? 0.4410 0.6440 0.4966 -0.1022 -0.0280 0.0374 148 LEU B CD1 1034 C CD2 . LEU A 130 ? 0.5423 0.7442 0.6158 -0.0684 -0.0158 0.0253 148 LEU B CD2 1035 N N . ASN A 131 ? 0.5800 0.6709 0.5581 -0.1020 -0.0349 0.0374 149 ASN B N 1036 C CA . ASN A 131 ? 0.6379 0.7035 0.5965 -0.1015 -0.0356 0.0379 149 ASN B CA 1037 C C . ASN A 131 ? 0.6504 0.7382 0.6227 -0.1000 -0.0258 0.0357 149 ASN B C 1038 O O . ASN A 131 ? 0.6536 0.7730 0.6486 -0.0967 -0.0184 0.0329 149 ASN B O 1039 C CB . ASN A 131 ? 0.6158 0.6568 0.5476 -0.1189 -0.0467 0.0441 149 ASN B CB 1040 C CG . ASN A 131 ? 0.5125 0.5810 0.4529 -0.1397 -0.0477 0.0500 149 ASN B CG 1041 O OD1 . ASN A 131 ? 0.4933 0.5970 0.4550 -0.1401 -0.0380 0.0490 149 ASN B OD1 1042 N ND2 . ASN A 131 ? 0.5394 0.5919 0.4618 -0.1572 -0.0600 0.0566 149 ASN B ND2 1043 N N . ASP A 132 ? 0.6959 0.7655 0.6524 -0.1017 -0.0264 0.0369 150 ASP B N 1044 C CA . ASP A 132 ? 0.7192 0.8047 0.6845 -0.0997 -0.0184 0.0346 150 ASP B CA 1045 C C . ASP A 132 ? 0.6605 0.7781 0.6363 -0.1127 -0.0140 0.0366 150 ASP B C 1046 O O . ASP A 132 ? 0.6698 0.8094 0.6588 -0.1074 -0.0055 0.0328 150 ASP B O 1047 C CB . ASP A 132 ? 0.8276 0.8857 0.7714 -0.1004 -0.0217 0.0365 150 ASP B CB 1048 C CG . ASP A 132 ? 0.9101 0.9495 0.8304 -0.1177 -0.0305 0.0431 150 ASP B CG 1049 O OD1 . ASP A 132 ? 0.9556 0.9662 0.8573 -0.1180 -0.0396 0.0451 150 ASP B OD1 1050 O OD2 . ASP A 132 ? 0.9112 0.9632 0.8294 -0.1312 -0.0289 0.0464 150 ASP B OD2 1051 N N . ASP A 133 ? 0.6514 0.7721 0.6204 -0.1296 -0.0200 0.0431 151 ASP B N 1052 C CA . ASP A 133 ? 0.6384 0.7948 0.6187 -0.1431 -0.0158 0.0474 151 ASP B CA 1053 C C . ASP A 133 ? 0.5991 0.7898 0.6045 -0.1391 -0.0119 0.0460 151 ASP B C 1054 O O . ASP A 133 ? 0.5704 0.7936 0.5863 -0.1512 -0.0101 0.0515 151 ASP B O 1055 C CB . ASP A 133 ? 0.7374 0.8819 0.6983 -0.1660 -0.0255 0.0573 151 ASP B CB 1056 C CG . ASP A 133 ? 0.8338 1.0120 0.8008 -0.1810 -0.0199 0.0635 151 ASP B CG 1057 O OD1 . ASP A 133 ? 0.8639 1.0683 0.8402 -0.1957 -0.0222 0.0709 151 ASP B OD1 1058 O OD2 . ASP A 133 ? 0.8657 1.0458 0.8282 -0.1782 -0.0133 0.0616 151 ASP B OD2 1059 N N . LEU A 134 ? 0.5718 0.7575 0.5874 -0.1223 -0.0109 0.0396 152 LEU B N 1060 C CA . LEU A 134 ? 0.5201 0.7356 0.5589 -0.1157 -0.0076 0.0375 152 LEU B CA 1061 C C . LEU A 134 ? 0.5378 0.7643 0.5782 -0.1315 -0.0158 0.0453 152 LEU B C 1062 O O . LEU A 134 ? 0.5924 0.8576 0.6519 -0.1357 -0.0125 0.0482 152 LEU B O 1063 C CB . LEU A 134 ? 0.4541 0.7063 0.5110 -0.1086 0.0039 0.0338 152 LEU B CB 1064 C CG . LEU A 134 ? 0.4545 0.6983 0.5140 -0.0901 0.0106 0.0248 152 LEU B CG 1065 C CD1 . LEU A 134 ? 0.3931 0.6169 0.4559 -0.0769 0.0070 0.0208 152 LEU B CD1 1066 C CD2 . LEU A 134 ? 0.5438 0.7657 0.5855 -0.0930 0.0111 0.0246 152 LEU B CD2 1067 N N . LYS A 135 ? 0.5218 0.7137 0.5411 -0.1398 -0.0272 0.0489 153 LYS B N 1068 C CA . LYS A 135 ? 0.5809 0.7727 0.5959 -0.1558 -0.0385 0.0564 153 LYS B CA 1069 C C . LYS A 135 ? 0.5959 0.7526 0.5975 -0.1472 -0.0471 0.0533 153 LYS B C 1070 O O . LYS A 135 ? 0.6340 0.7612 0.6231 -0.1329 -0.0455 0.0478 153 LYS B O 1071 C CB . LYS A 135 ? 0.6080 0.7864 0.6020 -0.1791 -0.0470 0.0656 153 LYS B CB 1072 C CG . LYS A 135 ? 0.5820 0.8016 0.5899 -0.1918 -0.0397 0.0716 153 LYS B CG 1073 C CD . LYS A 135 ? 0.6114 0.8166 0.5977 -0.2176 -0.0501 0.0827 153 LYS B CD 1074 C CE . LYS A 135 ? 0.6689 0.9217 0.6711 -0.2313 -0.0423 0.0907 153 LYS B CE 1075 N NZ . LYS A 135 ? 0.7418 1.0117 0.7539 -0.2142 -0.0263 0.0827 153 LYS B NZ 1076 N N . PRO A 136 ? 0.5345 0.6954 0.5383 -0.1551 -0.0562 0.0573 154 PRO B N 1077 C CA . PRO A 136 ? 0.5496 0.6759 0.5374 -0.1465 -0.0646 0.0544 154 PRO B CA 1078 C C . PRO A 136 ? 0.6179 0.6935 0.5713 -0.1439 -0.0707 0.0531 154 PRO B C 1079 O O . PRO A 136 ? 0.6832 0.7374 0.6139 -0.1605 -0.0804 0.0588 154 PRO B O 1080 C CB . PRO A 136 ? 0.5518 0.6864 0.5398 -0.1640 -0.0772 0.0618 154 PRO B CB 1081 C CG . PRO A 136 ? 0.4958 0.6859 0.5156 -0.1719 -0.0700 0.0662 154 PRO B CG 1082 C CD . PRO A 136 ? 0.5281 0.7290 0.5505 -0.1713 -0.0589 0.0651 154 PRO B CD 1083 N N . ALA A 137 ? 0.5749 0.6319 0.5239 -0.1228 -0.0654 0.0463 155 ALA B N 1084 C CA . ALA A 137 ? 0.5898 0.6042 0.5090 -0.1162 -0.0687 0.0449 155 ALA B CA 1085 C C . ALA A 137 ? 0.6418 0.6148 0.5275 -0.1218 -0.0839 0.0473 155 ALA B C 1086 O O . ALA A 137 ? 0.6343 0.5714 0.4898 -0.1259 -0.0914 0.0489 155 ALA B O 1087 C CB . ALA A 137 ? 0.5615 0.5726 0.4875 -0.0924 -0.0589 0.0387 155 ALA B CB 1088 N N . LYS A 138 ? 0.6754 0.6500 0.5635 -0.1213 -0.0896 0.0472 156 LYS B N 1089 C CA . LYS A 138 ? 0.7041 0.6369 0.5579 -0.1255 -0.1052 0.0487 156 LYS B CA 1090 C C . LYS A 138 ? 0.7243 0.6125 0.5462 -0.1065 -0.1060 0.0442 156 LYS B C 1091 O O . LYS A 138 ? 0.7786 0.6225 0.5624 -0.1108 -0.1191 0.0454 156 LYS B O 1092 C CB . LYS A 138 ? 0.6902 0.6114 0.5270 -0.1526 -0.1198 0.0565 156 LYS B CB 1093 C CG . LYS A 138 ? 0.7121 0.6804 0.5796 -0.1721 -0.1203 0.0630 156 LYS B CG 1094 C CD . LYS A 138 ? 0.8512 0.8099 0.7022 -0.2010 -0.1346 0.0728 156 LYS B CD 1095 C CE . LYS A 138 ? 0.9460 0.9594 0.8310 -0.2199 -0.1335 0.0810 156 LYS B CE 1096 N NZ . LYS A 138 ? 1.0264 1.0345 0.8970 -0.2507 -0.1476 0.0929 156 LYS B NZ 1097 N N . ARG A 139 ? 0.6428 0.5426 0.4793 -0.0852 -0.0923 0.0395 157 ARG B N 1098 C CA . ARG A 139 ? 0.6220 0.4898 0.4347 -0.0640 -0.0903 0.0361 157 ARG B CA 1099 C C . ARG A 139 ? 0.7074 0.5760 0.5227 -0.0472 -0.0874 0.0332 157 ARG B C 1100 O O . ARG A 139 ? 0.6649 0.5681 0.5114 -0.0462 -0.0805 0.0328 157 ARG B O 1101 C CB . ARG A 139 ? 0.6366 0.5194 0.4646 -0.0532 -0.0776 0.0349 157 ARG B CB 1102 C CG . ARG A 139 ? 0.6277 0.5184 0.4596 -0.0695 -0.0779 0.0377 157 ARG B CG 1103 C CD . ARG A 139 ? 0.5969 0.5121 0.4520 -0.0605 -0.0647 0.0363 157 ARG B CD 1104 N NE . ARG A 139 ? 0.6616 0.5849 0.5191 -0.0763 -0.0649 0.0389 157 ARG B NE 1105 C CZ . ARG A 139 ? 0.6654 0.6123 0.5430 -0.0742 -0.0551 0.0381 157 ARG B CZ 1106 N NH1 . ARG A 139 ? 0.5891 0.5533 0.4868 -0.0582 -0.0454 0.0350 157 ARG B NH1 1107 N NH2 . ARG A 139 ? 0.5480 0.5004 0.4241 -0.0889 -0.0558 0.0409 157 ARG B NH2 1108 N N . GLU A 140 ? 0.7652 0.5949 0.5460 -0.0330 -0.0927 0.0314 158 GLU B N 1109 C CA . GLU A 140 ? 0.8215 0.6516 0.6021 -0.0162 -0.0892 0.0294 158 GLU B CA 1110 C C . GLU A 140 ? 0.7400 0.6004 0.5493 0.0008 -0.0727 0.0289 158 GLU B C 1111 O O . GLU A 140 ? 0.7515 0.6139 0.5633 0.0081 -0.0659 0.0294 158 GLU B O 1112 C CB . GLU A 140 ? 0.9081 0.6889 0.6417 -0.0029 -0.0982 0.0274 158 GLU B CB 1113 C CG . GLU A 140 ? 1.0601 0.8144 0.7689 0.0120 -0.0959 0.0265 158 GLU B CG 1114 C CD . GLU A 140 ? 1.1608 0.8656 0.8206 0.0286 -0.1045 0.0237 158 GLU B CD 1115 O OE1 . GLU A 140 ? 1.0573 0.7524 0.7055 0.0315 -0.1095 0.0223 158 GLU B OE1 1116 O OE2 . GLU A 140 ? 1.2600 0.9345 0.8911 0.0396 -0.1066 0.0228 158 GLU B OE2 1117 N N . THR A 141 ? 0.6661 0.5497 0.4967 0.0059 -0.0676 0.0288 159 THR B N 1118 C CA . THR A 141 ? 0.5732 0.4900 0.4363 0.0159 -0.0541 0.0295 159 THR B CA 1119 C C . THR A 141 ? 0.6174 0.5301 0.4741 0.0349 -0.0497 0.0302 159 THR B C 1120 O O . THR A 141 ? 0.6038 0.5001 0.4425 0.0365 -0.0566 0.0294 159 THR B O 1121 C CB . THR A 141 ? 0.5702 0.5226 0.4683 0.0028 -0.0520 0.0293 159 THR B CB 1122 O OG1 . THR A 141 ? 0.5659 0.5230 0.4671 -0.0146 -0.0559 0.0295 159 THR B OG1 1123 C CG2 . THR A 141 ? 0.6412 0.6229 0.5698 0.0117 -0.0401 0.0298 159 THR B CG2 1124 N N . VAL A 142 ? 0.5709 0.4991 0.4416 0.0484 -0.0386 0.0326 160 VAL B N 1125 C CA . VAL A 142 ? 0.6305 0.5608 0.4981 0.0666 -0.0323 0.0354 160 VAL B CA 1126 C C . VAL A 142 ? 0.6296 0.5950 0.5342 0.0655 -0.0246 0.0381 160 VAL B C 1127 O O . VAL A 142 ? 0.6152 0.6008 0.5434 0.0611 -0.0194 0.0391 160 VAL B O 1128 C CB . VAL A 142 ? 0.5504 0.4701 0.4017 0.0840 -0.0265 0.0381 160 VAL B CB 1129 C CG1 . VAL A 142 ? 0.5521 0.4791 0.4014 0.1028 -0.0188 0.0426 160 VAL B CG1 1130 C CG2 . VAL A 142 ? 0.5902 0.4701 0.4013 0.0861 -0.0355 0.0348 160 VAL B CG2 1131 N N . LEU A 143 ? 0.6112 0.5808 0.5184 0.0693 -0.0251 0.0390 161 LEU B N 1132 C CA . LEU A 143 ? 0.5050 0.5021 0.4417 0.0703 -0.0192 0.0422 161 LEU B CA 1133 C C . LEU A 143 ? 0.5342 0.5338 0.4657 0.0871 -0.0119 0.0486 161 LEU B C 1134 O O . LEU A 143 ? 0.5773 0.5579 0.4818 0.0979 -0.0133 0.0491 161 LEU B O 1135 C CB . LEU A 143 ? 0.4703 0.4727 0.4153 0.0624 -0.0254 0.0399 161 LEU B CB 1136 C CG . LEU A 143 ? 0.6079 0.6251 0.5731 0.0466 -0.0295 0.0360 161 LEU B CG 1137 C CD1 . LEU A 143 ? 0.4481 0.4769 0.4262 0.0443 -0.0333 0.0356 161 LEU B CD1 1138 C CD2 . LEU A 143 ? 0.6255 0.6624 0.6146 0.0439 -0.0227 0.0362 161 LEU B CD2 1139 N N . THR A 144 ? 0.5112 0.5342 0.4674 0.0890 -0.0046 0.0539 162 THR B N 1140 C CA . THR A 144 ? 0.4866 0.5201 0.4443 0.1024 0.0029 0.0625 162 THR B CA 1141 C C . THR A 144 ? 0.4996 0.5532 0.4833 0.0974 0.0040 0.0665 162 THR B C 1142 O O . THR A 144 ? 0.4888 0.5531 0.4944 0.0862 0.0019 0.0638 162 THR B O 1143 C CB . THR A 144 ? 0.4732 0.5161 0.4352 0.1088 0.0096 0.0678 162 THR B CB 1144 O OG1 . THR A 144 ? 0.4946 0.5152 0.4304 0.1137 0.0072 0.0633 162 THR B OG1 1145 C CG2 . THR A 144 ? 0.5688 0.6267 0.5323 0.1229 0.0178 0.0785 162 THR B CG2 1146 N N . PHE A 145 ? 0.4554 0.5121 0.4342 0.1064 0.0069 0.0728 163 PHE B N 1147 C CA . PHE A 145 ? 0.4305 0.5029 0.4300 0.1027 0.0072 0.0782 163 PHE B CA 1148 C C . PHE A 145 ? 0.4659 0.5565 0.4742 0.1098 0.0152 0.0907 163 PHE B C 1149 O O . PHE A 145 ? 0.4760 0.5659 0.4671 0.1230 0.0209 0.0965 163 PHE B O 1150 C CB . PHE A 145 ? 0.5057 0.5678 0.4930 0.1049 0.0026 0.0766 163 PHE B CB 1151 C CG . PHE A 145 ? 0.5049 0.5587 0.4947 0.0944 -0.0064 0.0669 163 PHE B CG 1152 C CD1 . PHE A 145 ? 0.4502 0.4890 0.4249 0.0905 -0.0109 0.0593 163 PHE B CD1 1153 C CD2 . PHE A 145 ? 0.5051 0.5672 0.5121 0.0886 -0.0107 0.0664 163 PHE B CD2 1154 C CE1 . PHE A 145 ? 0.4478 0.4842 0.4270 0.0797 -0.0191 0.0523 163 PHE B CE1 1155 C CE2 . PHE A 145 ? 0.5011 0.5609 0.5125 0.0803 -0.0184 0.0586 163 PHE B CE2 1156 C CZ . PHE A 145 ? 0.4352 0.4844 0.4339 0.0752 -0.0223 0.0521 163 PHE B CZ 1157 N N . ILE A 146 ? 0.4697 0.5768 0.5038 0.1013 0.0153 0.0954 164 ILE B N 1158 C CA . ILE A 146 ? 0.4430 0.5708 0.4900 0.1038 0.0209 0.1093 164 ILE B CA 1159 C C . ILE A 146 ? 0.4733 0.6073 0.5352 0.0967 0.0172 0.1150 164 ILE B C 1160 O O . ILE A 146 ? 0.5199 0.6489 0.5940 0.0866 0.0104 0.1086 164 ILE B O 1161 C CB . ILE A 146 ? 0.4056 0.5452 0.4680 0.0984 0.0222 0.1119 164 ILE B CB 1162 C CG1 . ILE A 146 ? 0.4172 0.5486 0.4632 0.1062 0.0252 0.1067 164 ILE B CG1 1163 C CG2 . ILE A 146 ? 0.4165 0.5804 0.4943 0.0989 0.0266 0.1282 164 ILE B CG2 1164 C CD1 . ILE A 146 ? 0.4270 0.5418 0.4694 0.0979 0.0193 0.0932 164 ILE B CD1 1165 N N . ASP A 147 ? 0.4477 0.5921 0.5069 0.1028 0.0216 0.1271 165 ASP B N 1166 C CA . ASP A 147 ? 0.4512 0.5992 0.5209 0.0965 0.0176 0.1341 165 ASP B CA 1167 C C . ASP A 147 ? 0.4400 0.6040 0.5329 0.0858 0.0159 0.1448 165 ASP B C 1168 O O . ASP A 147 ? 0.3904 0.5660 0.4912 0.0846 0.0189 0.1481 165 ASP B O 1169 C CB . ASP A 147 ? 0.4477 0.5991 0.5020 0.1069 0.0227 0.1431 165 ASP B CB 1170 C CG . ASP A 147 ? 0.5427 0.7154 0.5940 0.1169 0.0335 0.1564 165 ASP B CG 1171 O OD1 . ASP A 147 ? 0.5989 0.7879 0.6655 0.1133 0.0359 0.1622 165 ASP B OD1 1172 O OD2 . ASP A 147 ? 0.5880 0.7620 0.6208 0.1292 0.0395 0.1615 165 ASP B OD2 1173 N N . PRO A 148 ? 0.4298 0.5926 0.5328 0.0773 0.0095 0.1506 166 PRO B N 1174 C CA . PRO A 148 ? 0.3933 0.5665 0.5157 0.0651 0.0051 0.1611 166 PRO B CA 1175 C C . PRO A 148 ? 0.4371 0.6372 0.5667 0.0661 0.0125 0.1788 166 PRO B C 1176 O O . PRO A 148 ? 0.4809 0.6916 0.6270 0.0549 0.0084 0.1878 166 PRO B O 1177 C CB . PRO A 148 ? 0.4017 0.5648 0.5266 0.0584 -0.0031 0.1653 166 PRO B CB 1178 C CG . PRO A 148 ? 0.4039 0.5483 0.5161 0.0650 -0.0056 0.1505 166 PRO B CG 1179 C CD . PRO A 148 ? 0.4681 0.6152 0.5647 0.0771 0.0033 0.1455 166 PRO B CD 1180 N N . GLU A 149 ? 0.4687 0.6811 0.5861 0.0795 0.0228 0.1846 167 GLU B N 1181 C CA . GLU A 149 ? 0.4039 0.6471 0.5286 0.0833 0.0313 0.2023 167 GLU B CA 1182 C C . GLU A 149 ? 0.3998 0.6508 0.5205 0.0936 0.0383 0.1977 167 GLU B C 1183 O O . GLU A 149 ? 0.4028 0.6812 0.5276 0.1010 0.0468 0.2114 167 GLU B O 1184 C CB . GLU A 149 ? 0.5109 0.7659 0.6236 0.0936 0.0392 0.2139 167 GLU B CB 1185 C CG . GLU A 149 ? 0.5222 0.7692 0.6375 0.0834 0.0319 0.2201 167 GLU B CG 1186 C CD . GLU A 149 ? 0.5645 0.8209 0.7030 0.0640 0.0232 0.2330 167 GLU B CD 1187 O OE1 . GLU A 149 ? 0.6180 0.9038 0.7707 0.0603 0.0274 0.2495 167 GLU B OE1 1188 O OE2 . GLU A 149 ? 0.5303 0.7640 0.6719 0.0528 0.0113 0.2269 167 GLU B OE2 1189 N N . GLY A 150 ? 0.3986 0.6272 0.5113 0.0945 0.0348 0.1797 168 GLY B N 1190 C CA . GLY A 150 ? 0.4245 0.6559 0.5322 0.1027 0.0394 0.1747 168 GLY B CA 1191 C C . GLY A 150 ? 0.5385 0.7628 0.6200 0.1223 0.0475 0.1696 168 GLY B C 1192 O O . GLY A 150 ? 0.6377 0.8655 0.7129 0.1317 0.0519 0.1680 168 GLY B O 1193 N N . SER A 151 ? 0.4663 0.6781 0.5299 0.1293 0.0487 0.1669 169 SER B N 1194 C CA . SER A 151 ? 0.4829 0.6824 0.5164 0.1484 0.0547 0.1614 169 SER B CA 1195 C C . SER A 151 ? 0.4957 0.6612 0.5116 0.1467 0.0474 0.1422 169 SER B C 1196 O O . SER A 151 ? 0.4374 0.5889 0.4575 0.1354 0.0395 0.1346 169 SER B O 1197 C CB . SER A 151 ? 0.5531 0.7562 0.5733 0.1571 0.0593 0.1693 169 SER B CB 1198 O OG . SER A 151 ? 0.6005 0.8385 0.6352 0.1596 0.0673 0.1889 169 SER B OG 1199 N N . GLU A 152 ? 0.5502 0.7034 0.5466 0.1579 0.0497 0.1352 170 GLU B N 1200 C CA . GLU A 152 ? 0.6080 0.7281 0.5827 0.1570 0.0426 0.1190 170 GLU B CA 1201 C C . GLU A 152 ? 0.6199 0.7218 0.5662 0.1675 0.0423 0.1163 170 GLU B C 1202 O O . GLU A 152 ? 0.7064 0.8047 0.6281 0.1861 0.0487 0.1193 170 GLU B O 1203 C CB . GLU A 152 ? 0.7317 0.8414 0.6924 0.1648 0.0436 0.1137 170 GLU B CB 1204 C CG . GLU A 152 ? 0.8625 0.9872 0.8485 0.1540 0.0427 0.1154 170 GLU B CG 1205 C CD . GLU A 152 ? 0.9552 1.0671 0.9251 0.1620 0.0429 0.1101 170 GLU B CD 1206 O OE1 . GLU A 152 ? 1.0652 1.1520 1.0026 0.1746 0.0422 0.1037 170 GLU B OE1 1207 O OE2 . GLU A 152 ? 0.9157 1.0402 0.9034 0.1556 0.0426 0.1125 170 GLU B OE2 1208 N N . VAL A 153 ? 0.5529 0.6430 0.5011 0.1569 0.0346 0.1105 171 VAL B N 1209 C CA . VAL A 153 ? 0.5921 0.6674 0.5165 0.1647 0.0332 0.1095 171 VAL B CA 1210 C C . VAL A 153 ? 0.5265 0.5678 0.4239 0.1640 0.0238 0.0957 171 VAL B C 1211 O O . VAL A 153 ? 0.7245 0.7482 0.5945 0.1728 0.0218 0.0940 171 VAL B O 1212 C CB . VAL A 153 ? 0.5443 0.6309 0.4876 0.1548 0.0303 0.1151 171 VAL B CB 1213 C CG1 . VAL A 153 ? 0.5506 0.6685 0.5157 0.1552 0.0385 0.1311 171 VAL B CG1 1214 C CG2 . VAL A 153 ? 0.4750 0.5569 0.4389 0.1370 0.0205 0.1064 171 VAL B CG2 1215 N N . ASP A 154 ? 0.6233 0.6549 0.5264 0.1530 0.0174 0.0866 172 ASP B N 1216 C CA . ASP A 154 ? 0.6315 0.6320 0.5091 0.1499 0.0075 0.0754 172 ASP B CA 1217 C C . ASP A 154 ? 0.6268 0.6207 0.5081 0.1416 0.0042 0.0689 172 ASP B C 1218 O O . ASP A 154 ? 0.6030 0.6169 0.5135 0.1321 0.0065 0.0705 172 ASP B O 1219 C CB . ASP A 154 ? 0.6182 0.6149 0.5034 0.1375 -0.0018 0.0713 172 ASP B CB 1220 C CG . ASP A 154 ? 0.6805 0.6458 0.5359 0.1349 -0.0130 0.0622 172 ASP B CG 1221 O OD1 . ASP A 154 ? 0.7229 0.6642 0.5453 0.1455 -0.0137 0.0596 172 ASP B OD1 1222 O OD2 . ASP A 154 ? 0.7087 0.6728 0.5729 0.1224 -0.0221 0.0582 172 ASP B OD2 1223 N N . MET A 155 ? 0.6397 0.6033 0.4887 0.1453 -0.0019 0.0620 173 MET B N 1224 C CA . MET A 155 ? 0.6468 0.5986 0.4935 0.1361 -0.0071 0.0557 173 MET B CA 1225 C C . MET A 155 ? 0.6919 0.6106 0.5102 0.1290 -0.0202 0.0477 173 MET B C 1226 O O . MET A 155 ? 0.8180 0.7123 0.6032 0.1400 -0.0237 0.0464 173 MET B O 1227 C CB . MET A 155 ? 0.7711 0.7180 0.6039 0.1502 -0.0009 0.0580 173 MET B CB 1228 C CG . MET A 155 ? 0.9362 0.8577 0.7515 0.1435 -0.0089 0.0509 173 MET B CG 1229 S SD . MET A 155 ? 1.2084 1.1233 1.0065 0.1622 -0.0022 0.0536 173 MET B SD 1230 C CE . MET A 155 ? 1.1986 1.1608 1.0452 0.1574 0.0087 0.0623 173 MET B CE 1231 N N . VAL A 156 ? 0.6893 0.6074 0.5195 0.1105 -0.0278 0.0430 174 VAL B N 1232 C CA . VAL A 156 ? 0.7564 0.6464 0.5628 0.0999 -0.0418 0.0371 174 VAL B CA 1233 C C . VAL A 156 ? 0.8087 0.6962 0.6212 0.0840 -0.0469 0.0340 174 VAL B C 1234 O O . VAL A 156 ? 0.8970 0.8125 0.7432 0.0740 -0.0424 0.0348 174 VAL B O 1235 C CB . VAL A 156 ? 0.8147 0.7143 0.6338 0.0901 -0.0480 0.0368 174 VAL B CB 1236 C CG1 . VAL A 156 ? 0.7758 0.7139 0.6401 0.0811 -0.0421 0.0390 174 VAL B CG1 1237 C CG2 . VAL A 156 ? 0.9046 0.7816 0.7058 0.0746 -0.0636 0.0323 174 VAL B CG2 1238 N N . GLU A 157 ? 0.7600 0.6120 0.5377 0.0818 -0.0570 0.0305 175 GLU B N 1239 C CA . GLU A 157 ? 0.7013 0.5468 0.4797 0.0654 -0.0634 0.0285 175 GLU B CA 1240 C C . GLU A 157 ? 0.6720 0.5024 0.4392 0.0462 -0.0789 0.0265 175 GLU B C 1241 O O . GLU A 157 ? 0.7350 0.5425 0.4771 0.0489 -0.0877 0.0253 175 GLU B O 1242 C CB . GLU A 157 ? 0.7558 0.5712 0.5025 0.0761 -0.0641 0.0274 175 GLU B CB 1243 C CG . GLU A 157 ? 0.8051 0.5826 0.5069 0.0951 -0.0680 0.0256 175 GLU B CG 1244 C CD . GLU A 157 ? 0.9931 0.7396 0.6628 0.1070 -0.0694 0.0241 175 GLU B CD 1245 O OE1 . GLU A 157 ? 1.1032 0.8205 0.7514 0.0938 -0.0821 0.0215 175 GLU B OE1 1246 O OE2 . GLU A 157 ? 1.0366 0.7896 0.7033 0.1292 -0.0581 0.0263 175 GLU B OE2 1247 N N . GLU A 158 ? 0.6867 0.5315 0.4728 0.0264 -0.0826 0.0268 176 GLU B N 1248 C CA . GLU A 158 ? 0.6934 0.5329 0.4758 0.0053 -0.0968 0.0271 176 GLU B CA 1249 C C . GLU A 158 ? 0.7031 0.5403 0.4857 -0.0123 -0.1016 0.0282 176 GLU B C 1250 O O . GLU A 158 ? 0.7458 0.6042 0.5499 -0.0118 -0.0914 0.0286 176 GLU B O 1251 C CB . GLU A 158 ? 0.7590 0.6379 0.5790 -0.0024 -0.0945 0.0286 176 GLU B CB 1252 C CG . GLU A 158 ? 0.9419 0.8139 0.7536 -0.0181 -0.1101 0.0299 176 GLU B CG 1253 C CD . GLU A 158 ? 1.1056 0.9639 0.9018 -0.0065 -0.1139 0.0291 176 GLU B CD 1254 O OE1 . GLU A 158 ? 1.0827 0.9505 0.8870 0.0118 -0.1021 0.0286 176 GLU B OE1 1255 O OE2 . GLU A 158 ? 1.1987 1.0367 0.9740 -0.0168 -0.1294 0.0298 176 GLU B OE2 1256 N N . ILE A 159 ? 0.7095 0.5198 0.4667 -0.0287 -0.1180 0.0293 177 ILE B N 1257 C CA . ILE A 159 ? 0.7243 0.5342 0.4820 -0.0487 -0.1238 0.0320 177 ILE B CA 1258 C C . ILE A 159 ? 0.7513 0.6099 0.5517 -0.0668 -0.1211 0.0356 177 ILE B C 1259 O O . ILE A 159 ? 0.7681 0.6507 0.5890 -0.0674 -0.1208 0.0361 177 ILE B O 1260 C CB . ILE A 159 ? 0.8116 0.5722 0.5240 -0.0613 -0.1439 0.0332 177 ILE B CB 1261 C CG1 . ILE A 159 ? 0.8453 0.6050 0.5547 -0.0751 -0.1579 0.0355 177 ILE B CG1 1262 C CG2 . ILE A 159 ? 0.7837 0.4944 0.4507 -0.0395 -0.1459 0.0287 177 ILE B CG2 1263 C CD1 . ILE A 159 ? 0.8692 0.5759 0.5306 -0.0885 -0.1802 0.0369 177 ILE B CD1 1264 N N . ASP A 160 ? 0.7772 0.6508 0.5900 -0.0803 -0.1189 0.0382 178 ASP B N 1265 C CA . ASP A 160 ? 0.7542 0.6765 0.6067 -0.0948 -0.1140 0.0415 178 ASP B CA 1266 C C . ASP A 160 ? 0.8536 0.7726 0.6972 -0.1219 -0.1277 0.0481 178 ASP B C 1267 O O . ASP A 160 ? 0.9552 0.8476 0.7752 -0.1299 -0.1331 0.0499 178 ASP B O 1268 C CB . ASP A 160 ? 0.6841 0.6333 0.5618 -0.0870 -0.0977 0.0395 178 ASP B CB 1269 C CG . ASP A 160 ? 0.6345 0.6318 0.5488 -0.0997 -0.0921 0.0423 178 ASP B CG 1270 O OD1 . ASP A 160 ? 0.6619 0.6808 0.5908 -0.1091 -0.0974 0.0452 178 ASP B OD1 1271 O OD2 . ASP A 160 ? 0.5670 0.5811 0.4950 -0.0993 -0.0824 0.0416 178 ASP B OD2 1272 N N . HIS A 161 ? 0.8343 0.7816 0.6974 -0.1364 -0.1339 0.0527 179 HIS B N 1273 C CA . HIS A 161 ? 0.8311 0.7828 0.6903 -0.1646 -0.1477 0.0614 179 HIS B CA 1274 C C . HIS A 161 ? 0.8180 0.8256 0.7167 -0.1767 -0.1383 0.0664 179 HIS B C 1275 O O . HIS A 161 ? 0.8945 0.9046 0.7885 -0.1965 -0.1431 0.0731 179 HIS B O 1276 C CB . HIS A 161 ? 0.8540 0.7994 0.7055 -0.1751 -0.1638 0.0651 179 HIS B CB 1277 C CG . HIS A 161 ? 0.9751 0.8636 0.7834 -0.1639 -0.1747 0.0604 179 HIS B CG 1278 N ND1 . HIS A 161 ? 1.0702 0.9041 0.8324 -0.1727 -0.1902 0.0615 179 HIS B ND1 1279 C CD2 . HIS A 161 ? 0.9830 0.8595 0.7848 -0.1440 -0.1726 0.0545 179 HIS B CD2 1280 C CE1 . HIS A 161 ? 1.0747 0.8655 0.8030 -0.1569 -0.1967 0.0559 179 HIS B CE1 1281 N NE2 . HIS A 161 ? 1.0288 0.8458 0.7809 -0.1398 -0.1857 0.0519 179 HIS B NE2 1282 N N . ILE A 162 ? 0.7230 0.7744 0.6586 -0.1646 -0.1251 0.0635 180 ILE B N 1283 C CA . ILE A 162 ? 0.6827 0.7899 0.6553 -0.1737 -0.1169 0.0681 180 ILE B CA 1284 C C . ILE A 162 ? 0.6621 0.7928 0.6569 -0.1557 -0.0976 0.0615 180 ILE B C 1285 O O . ILE A 162 ? 0.6574 0.8333 0.6809 -0.1590 -0.0889 0.0637 180 ILE B O 1286 C CB . ILE A 162 ? 0.6470 0.7905 0.6448 -0.1779 -0.1214 0.0721 180 ILE B CB 1287 C CG1 . ILE A 162 ? 0.5265 0.6711 0.5350 -0.1531 -0.1140 0.0638 180 ILE B CG1 1288 C CG2 . ILE A 162 ? 0.6155 0.7361 0.5910 -0.1986 -0.1427 0.0797 180 ILE B CG2 1289 C CD1 . ILE A 162 ? 0.5124 0.6977 0.5500 -0.1534 -0.1158 0.0669 180 ILE B CD1 1290 N N . GLY A 163 ? 0.6365 0.7385 0.6180 -0.1367 -0.0910 0.0539 181 GLY B N 1291 C CA . GLY A 163 ? 0.5624 0.6842 0.5644 -0.1196 -0.0748 0.0479 181 GLY B CA 1292 C C . GLY A 163 ? 0.5879 0.7236 0.6086 -0.1013 -0.0689 0.0429 181 GLY B C 1293 O O . GLY A 163 ? 0.6145 0.7584 0.6478 -0.0861 -0.0574 0.0377 181 GLY B O 1294 N N . ILE A 164 ? 0.5900 0.7271 0.6117 -0.1032 -0.0776 0.0449 182 ILE B N 1295 C CA . ILE A 164 ? 0.5392 0.6820 0.5729 -0.0862 -0.0745 0.0409 182 ILE B CA 1296 C C . ILE A 164 ? 0.5447 0.6452 0.5486 -0.0809 -0.0831 0.0400 182 ILE B C 1297 O O . ILE A 164 ? 0.5997 0.6817 0.5840 -0.0938 -0.0966 0.0439 182 ILE B O 1298 C CB . ILE A 164 ? 0.4952 0.6770 0.5554 -0.0906 -0.0772 0.0440 182 ILE B CB 1299 C CG1 . ILE A 164 ? 0.5168 0.7419 0.6053 -0.0912 -0.0667 0.0441 182 ILE B CG1 1300 C CG2 . ILE A 164 ? 0.4597 0.6413 0.5277 -0.0737 -0.0761 0.0404 182 ILE B CG2 1301 C CD1 . ILE A 164 ? 0.5523 0.8204 0.6680 -0.0934 -0.0684 0.0476 182 ILE B CD1 1302 N N . ILE A 165 ? 0.4752 0.5602 0.4744 -0.0622 -0.0758 0.0355 183 ILE B N 1303 C CA . ILE A 165 ? 0.5329 0.5794 0.5027 -0.0531 -0.0811 0.0344 183 ILE B CA 1304 C C . ILE A 165 ? 0.5302 0.5853 0.5111 -0.0405 -0.0797 0.0333 183 ILE B C 1305 O O . ILE A 165 ? 0.5174 0.5870 0.5164 -0.0274 -0.0692 0.0310 183 ILE B O 1306 C CB . ILE A 165 ? 0.5631 0.5859 0.5166 -0.0415 -0.0737 0.0320 183 ILE B CB 1307 C CG1 . ILE A 165 ? 0.5549 0.5772 0.5050 -0.0532 -0.0729 0.0330 183 ILE B CG1 1308 C CG2 . ILE A 165 ? 0.5857 0.5667 0.5025 -0.0331 -0.0804 0.0315 183 ILE B CG2 1309 C CD1 . ILE A 165 ? 0.5010 0.5077 0.4414 -0.0417 -0.0648 0.0310 183 ILE B CD1 1310 N N . SER A 166 ? 0.5209 0.5647 0.4890 -0.0451 -0.0914 0.0352 184 SER B N 1311 C CA . SER A 166 ? 0.5501 0.5986 0.5247 -0.0340 -0.0919 0.0347 184 SER B CA 1312 C C . SER A 166 ? 0.6118 0.6238 0.5561 -0.0197 -0.0918 0.0333 184 SER B C 1313 O O . SER A 166 ? 0.6604 0.6383 0.5710 -0.0231 -0.1008 0.0334 184 SER B O 1314 C CB . SER A 166 ? 0.5127 0.5717 0.4912 -0.0465 -0.1052 0.0382 184 SER B CB 1315 O OG . SER A 166 ? 0.6664 0.7677 0.6782 -0.0555 -0.1030 0.0402 184 SER B OG 1316 N N . PHE A 167 ? 0.5544 0.5732 0.5091 -0.0036 -0.0819 0.0324 185 PHE B N 1317 C CA . PHE A 167 ? 0.5569 0.5489 0.4868 0.0117 -0.0794 0.0323 185 PHE B CA 1318 C C . PHE A 167 ? 0.6340 0.6263 0.5630 0.0182 -0.0836 0.0337 185 PHE B C 1319 O O . PHE A 167 ? 0.6236 0.6419 0.5786 0.0148 -0.0848 0.0345 185 PHE B O 1320 C CB . PHE A 167 ? 0.5072 0.5069 0.4480 0.0244 -0.0651 0.0325 185 PHE B CB 1321 C CG . PHE A 167 ? 0.5024 0.4937 0.4355 0.0216 -0.0614 0.0314 185 PHE B CG 1322 C CD1 . PHE A 167 ? 0.5262 0.4878 0.4282 0.0307 -0.0609 0.0315 185 PHE B CD1 1323 C CD2 . PHE A 167 ? 0.5411 0.5538 0.4965 0.0113 -0.0584 0.0304 185 PHE B CD2 1324 C CE1 . PHE A 167 ? 0.6428 0.5956 0.5370 0.0290 -0.0583 0.0307 185 PHE B CE1 1325 C CE2 . PHE A 167 ? 0.5749 0.5789 0.5221 0.0085 -0.0555 0.0298 185 PHE B CE2 1326 C CZ . PHE A 167 ? 0.6617 0.6354 0.5788 0.0170 -0.0559 0.0301 185 PHE B CZ 1327 N N . PRO A 168 ? 0.6984 0.6618 0.5963 0.0286 -0.0860 0.0341 186 PRO B N 1328 C CA . PRO A 168 ? 0.6532 0.6165 0.5489 0.0359 -0.0890 0.0359 186 PRO B CA 1329 C C . PRO A 168 ? 0.5994 0.5878 0.5232 0.0458 -0.0775 0.0382 186 PRO B C 1330 O O . PRO A 168 ? 0.5654 0.5615 0.4992 0.0518 -0.0663 0.0389 186 PRO B O 1331 C CB . PRO A 168 ? 0.6948 0.6204 0.5476 0.0475 -0.0912 0.0357 186 PRO B CB 1332 C CG . PRO A 168 ? 0.7563 0.6703 0.5975 0.0526 -0.0836 0.0344 186 PRO B CG 1333 C CD . PRO A 168 ? 0.7574 0.6866 0.6189 0.0360 -0.0858 0.0329 186 PRO B CD 1334 N N . ASP A 169 ? 0.5529 0.5526 0.4885 0.0469 -0.0816 0.0399 187 ASP B N 1335 C CA . ASP A 169 ? 0.5190 0.5393 0.4796 0.0549 -0.0734 0.0424 187 ASP B CA 1336 C C . ASP A 169 ? 0.5388 0.5472 0.4847 0.0689 -0.0643 0.0464 187 ASP B C 1337 O O . ASP A 169 ? 0.6536 0.6390 0.5688 0.0757 -0.0664 0.0476 187 ASP B O 1338 C CB . ASP A 169 ? 0.5054 0.5369 0.4780 0.0537 -0.0814 0.0436 187 ASP B CB 1339 C CG . ASP A 169 ? 0.6656 0.7178 0.6588 0.0413 -0.0889 0.0412 187 ASP B CG 1340 O OD1 . ASP A 169 ? 0.7794 0.8429 0.7843 0.0342 -0.0851 0.0388 187 ASP B OD1 1341 O OD2 . ASP A 169 ? 0.7636 0.8229 0.7617 0.0387 -0.0985 0.0423 187 ASP B OD2 1342 N N . PHE A 170 ? 0.4868 0.5115 0.4538 0.0732 -0.0545 0.0491 188 PHE B N 1343 C CA . PHE A 170 ? 0.4892 0.5102 0.4482 0.0849 -0.0454 0.0553 188 PHE B CA 1344 C C . PHE A 170 ? 0.5762 0.6032 0.5424 0.0895 -0.0466 0.0604 188 PHE B C 1345 O O . PHE A 170 ? 0.5127 0.5556 0.5044 0.0860 -0.0477 0.0607 188 PHE B O 1346 C CB . PHE A 170 ? 0.4870 0.5214 0.4637 0.0850 -0.0357 0.0570 188 PHE B CB 1347 C CG . PHE A 170 ? 0.4975 0.5340 0.4699 0.0954 -0.0264 0.0655 188 PHE B CG 1348 C CD1 . PHE A 170 ? 0.4989 0.5237 0.4473 0.1047 -0.0210 0.0677 188 PHE B CD1 1349 C CD2 . PHE A 170 ? 0.4852 0.5359 0.4769 0.0962 -0.0237 0.0719 188 PHE B CD2 1350 C CE1 . PHE A 170 ? 0.4997 0.5322 0.4461 0.1148 -0.0117 0.0770 188 PHE B CE1 1351 C CE2 . PHE A 170 ? 0.4723 0.5285 0.4616 0.1037 -0.0156 0.0819 188 PHE B CE2 1352 C CZ . PHE A 170 ? 0.4912 0.5411 0.4592 0.1132 -0.0089 0.0848 188 PHE B CZ 1353 N N . LYS A 171 ? 0.6686 0.6810 0.6100 0.0981 -0.0470 0.0645 189 LYS B N 1354 C CA . LYS A 171 ? 0.6961 0.7110 0.6392 0.1025 -0.0489 0.0703 189 LYS B CA 1355 C C . LYS A 171 ? 0.6225 0.6495 0.5770 0.1079 -0.0385 0.0793 189 LYS B C 1356 O O . LYS A 171 ? 0.6523 0.6775 0.5938 0.1153 -0.0296 0.0839 189 LYS B O 1357 C CB . LYS A 171 ? 0.8164 0.8097 0.7252 0.1094 -0.0536 0.0711 189 LYS B CB 1358 C CG . LYS A 171 ? 0.8937 0.8873 0.7999 0.1142 -0.0561 0.0776 189 LYS B CG 1359 C CD . LYS A 171 ? 0.9726 0.9749 0.8998 0.1062 -0.0668 0.0748 189 LYS B CD 1360 C CE . LYS A 171 ? 1.0608 1.0567 0.9775 0.1110 -0.0724 0.0803 189 LYS B CE 1361 N NZ . LYS A 171 ? 1.1513 1.1240 1.0313 0.1154 -0.0782 0.0789 189 LYS B NZ 1362 N N . ILE A 172 ? 0.5644 0.6037 0.5424 0.1043 -0.0402 0.0823 190 ILE B N 1363 C CA . ILE A 172 ? 0.5659 0.6152 0.5543 0.1067 -0.0330 0.0925 190 ILE B CA 1364 C C . ILE A 172 ? 0.6005 0.6437 0.5697 0.1144 -0.0316 0.1017 190 ILE B C 1365 O O . ILE A 172 ? 0.6540 0.6887 0.6156 0.1150 -0.0398 0.1005 190 ILE B O 1366 C CB . ILE A 172 ? 0.5220 0.5807 0.5374 0.1002 -0.0373 0.0924 190 ILE B CB 1367 C CG1 . ILE A 172 ? 0.5165 0.5813 0.5481 0.0938 -0.0388 0.0824 190 ILE B CG1 1368 C CG2 . ILE A 172 ? 0.4617 0.5285 0.4869 0.0997 -0.0316 0.1038 190 ILE B CG2 1369 C CD1 . ILE A 172 ? 0.5063 0.5765 0.5406 0.0924 -0.0304 0.0829 190 ILE B CD1 1370 N N . PRO A 173 ? 0.6409 0.6898 0.6019 0.1207 -0.0215 0.1115 191 PRO B N 1371 C CA . PRO A 173 ? 0.6597 0.7046 0.5998 0.1291 -0.0189 0.1208 191 PRO B CA 1372 C C . PRO A 173 ? 0.6956 0.7422 0.6465 0.1247 -0.0252 0.1275 191 PRO B C 1373 O O . PRO A 173 ? 0.6336 0.6863 0.6090 0.1164 -0.0298 0.1273 191 PRO B O 1374 C CB . PRO A 173 ? 0.6589 0.7185 0.5971 0.1355 -0.0056 0.1316 191 PRO B CB 1375 C CG . PRO A 173 ? 0.6900 0.7529 0.6365 0.1335 -0.0024 0.1242 191 PRO B CG 1376 C CD . PRO A 173 ? 0.6670 0.7278 0.6354 0.1215 -0.0118 0.1145 191 PRO B CD 1377 N N . SER A 174 ? 0.7843 0.8229 0.7135 0.1313 -0.0261 0.1333 192 SER B N 1378 C CA . SER A 174 ? 0.7589 0.7960 0.6933 0.1281 -0.0328 0.1406 192 SER B CA 1379 C C . SER A 174 ? 0.6759 0.7282 0.6298 0.1223 -0.0282 0.1540 192 SER B C 1380 O O . SER A 174 ? 0.6642 0.7146 0.6339 0.1152 -0.0363 0.1563 192 SER B O 1381 C CB . SER A 174 ? 0.8848 0.9105 0.7886 0.1370 -0.0331 0.1455 192 SER B CB 1382 O OG . SER A 174 ? 1.0901 1.1124 0.9972 0.1338 -0.0408 0.1525 192 SER B OG 1383 N N . ASN A 175 ? 0.6311 0.6983 0.5832 0.1255 -0.0160 0.1633 193 ASN B N 1384 C CA . ASN A 175 ? 0.6175 0.7024 0.5892 0.1180 -0.0116 0.1774 193 ASN B CA 1385 C C . ASN A 175 ? 0.5549 0.6529 0.5393 0.1170 -0.0042 0.1744 193 ASN B C 1386 O O . ASN A 175 ? 0.5368 0.6494 0.5136 0.1242 0.0074 0.1819 193 ASN B O 1387 C CB . ASN A 175 ? 0.6786 0.7751 0.6374 0.1223 -0.0038 0.1955 193 ASN B CB 1388 C CG . ASN A 175 ? 0.7098 0.8254 0.6897 0.1115 -0.0014 0.2125 193 ASN B CG 1389 O OD1 . ASN A 175 ? 0.7261 0.8417 0.7286 0.1005 -0.0075 0.2100 193 ASN B OD1 1390 N ND2 . ASN A 175 ? 0.5683 0.7005 0.5400 0.1140 0.0068 0.2306 193 ASN B ND2 1391 N N . PRO A 176 ? 0.5562 0.6502 0.5590 0.1093 -0.0103 0.1637 194 PRO B N 1392 C CA . PRO A 176 ? 0.5420 0.6452 0.5537 0.1089 -0.0042 0.1587 194 PRO B CA 1393 C C . PRO A 176 ? 0.5396 0.6607 0.5723 0.1003 -0.0011 0.1707 194 PRO B C 1394 O O . PRO A 176 ? 0.5967 0.7217 0.6379 0.0930 -0.0047 0.1830 194 PRO B O 1395 C CB . PRO A 176 ? 0.5431 0.6334 0.5629 0.1045 -0.0129 0.1418 194 PRO B CB 1396 C CG . PRO A 176 ? 0.5771 0.6593 0.6062 0.0985 -0.0235 0.1427 194 PRO B CG 1397 C CD . PRO A 176 ? 0.6025 0.6828 0.6164 0.1027 -0.0229 0.1546 194 PRO B CD 1398 N N . ARG A 177 ? 0.5441 0.6750 0.5845 0.1003 0.0045 0.1678 195 ARG B N 1399 C CA . ARG A 177 ? 0.5717 0.7176 0.6340 0.0901 0.0047 0.1768 195 ARG B CA 1400 C C . ARG A 177 ? 0.5028 0.6345 0.5798 0.0796 -0.0066 0.1666 195 ARG B C 1401 O O . ARG A 177 ? 0.4799 0.6026 0.5570 0.0810 -0.0086 0.1513 195 ARG B O 1402 C CB . ARG A 177 ? 0.4469 0.6079 0.5109 0.0951 0.0141 0.1771 195 ARG B CB 1403 C CG . ARG A 177 ? 0.4583 0.6395 0.5119 0.1058 0.0261 0.1910 195 ARG B CG 1404 C CD . ARG A 177 ? 0.4527 0.6457 0.5053 0.1138 0.0345 0.1889 195 ARG B CD 1405 N NE . ARG A 177 ? 0.4616 0.6824 0.5121 0.1228 0.0462 0.2060 195 ARG B NE 1406 C CZ . ARG A 177 ? 0.4618 0.6973 0.5091 0.1339 0.0554 0.2076 195 ARG B CZ 1407 N NH1 . ARG A 177 ? 0.4542 0.6761 0.4986 0.1359 0.0535 0.1931 195 ARG B NH1 1408 N NH2 . ARG A 177 ? 0.4711 0.7360 0.5176 0.1435 0.0666 0.2245 195 ARG B NH2 1409 N N . TYR A 178 ? 0.4927 0.6216 0.5803 0.0696 -0.0144 0.1754 196 TYR B N 1410 C CA . TYR A 178 ? 0.5092 0.6218 0.6072 0.0621 -0.0258 0.1658 196 TYR B CA 1411 C C . TYR A 178 ? 0.5007 0.6193 0.6130 0.0543 -0.0261 0.1650 196 TYR B C 1412 O O . TYR A 178 ? 0.5177 0.6539 0.6367 0.0499 -0.0211 0.1779 196 TYR B O 1413 C CB . TYR A 178 ? 0.4862 0.5872 0.5856 0.0553 -0.0359 0.1750 196 TYR B CB 1414 C CG . TYR A 178 ? 0.5032 0.5956 0.5883 0.0624 -0.0377 0.1754 196 TYR B CG 1415 C CD1 . TYR A 178 ? 0.5207 0.5996 0.5997 0.0696 -0.0421 0.1596 196 TYR B CD1 1416 C CD2 . TYR A 178 ? 0.4885 0.5879 0.5665 0.0613 -0.0353 0.1924 196 TYR B CD2 1417 C CE1 . TYR A 178 ? 0.5737 0.6446 0.6395 0.0756 -0.0449 0.1604 196 TYR B CE1 1418 C CE2 . TYR A 178 ? 0.5022 0.5924 0.5654 0.0677 -0.0374 0.1929 196 TYR B CE2 1419 C CZ . TYR A 178 ? 0.5633 0.6383 0.6203 0.0749 -0.0427 0.1765 196 TYR B CZ 1420 O OH . TYR A 178 ? 0.6145 0.6802 0.6566 0.0808 -0.0460 0.1773 196 TYR B OH 1421 N N . GLY A 179 ? 0.4273 0.5329 0.5441 0.0530 -0.0321 0.1501 197 GLY B N 1422 C CA . GLY A 179 ? 0.4185 0.5269 0.5461 0.0461 -0.0332 0.1476 197 GLY B CA 1423 C C . GLY A 179 ? 0.4055 0.5117 0.5322 0.0508 -0.0302 0.1306 197 GLY B C 1424 O O . GLY A 179 ? 0.4266 0.5251 0.5471 0.0571 -0.0312 0.1188 197 GLY B O 1425 N N . MET A 180 ? 0.3965 0.5106 0.5297 0.0468 -0.0272 0.1302 198 MET B N 1426 C CA . MET A 180 ? 0.3859 0.4973 0.5187 0.0489 -0.0255 0.1153 198 MET B CA 1427 C C . MET A 180 ? 0.3797 0.5010 0.5041 0.0560 -0.0156 0.1137 198 MET B C 1428 O O . MET A 180 ? 0.4162 0.5505 0.5417 0.0564 -0.0096 0.1228 198 MET B O 1429 C CB . MET A 180 ? 0.4290 0.5397 0.5709 0.0405 -0.0291 0.1150 198 MET B CB 1430 C CG . MET A 180 ? 0.4981 0.6052 0.6389 0.0418 -0.0279 0.0999 198 MET B CG 1431 S SD . MET A 180 ? 0.6695 0.7617 0.8082 0.0458 -0.0345 0.0847 198 MET B SD 1432 C CE . MET A 180 ? 0.7041 0.7802 0.8467 0.0388 -0.0461 0.0879 198 MET B CE 1433 N N . TRP A 181 ? 0.3789 0.4938 0.4940 0.0618 -0.0148 0.1025 199 TRP B N 1434 C CA . TRP A 181 ? 0.4628 0.5798 0.5656 0.0680 -0.0080 0.0987 199 TRP B CA 1435 C C . TRP A 181 ? 0.4449 0.5604 0.5498 0.0647 -0.0078 0.0882 199 TRP B C 1436 O O . TRP A 181 ? 0.4709 0.5823 0.5832 0.0601 -0.0127 0.0797 199 TRP B O 1437 C CB . TRP A 181 ? 0.4611 0.5698 0.5502 0.0741 -0.0092 0.0937 199 TRP B CB 1438 C CG . TRP A 181 ? 0.4696 0.5790 0.5518 0.0790 -0.0084 0.1039 199 TRP B CG 1439 C CD1 . TRP A 181 ? 0.4905 0.6000 0.5805 0.0758 -0.0128 0.1117 199 TRP B CD1 1440 C CD2 . TRP A 181 ? 0.4762 0.5838 0.5393 0.0882 -0.0034 0.1074 199 TRP B CD2 1441 N NE1 . TRP A 181 ? 0.5206 0.6313 0.5993 0.0816 -0.0101 0.1207 199 TRP B NE1 1442 C CE2 . TRP A 181 ? 0.5186 0.6284 0.5801 0.0901 -0.0040 0.1179 199 TRP B CE2 1443 C CE3 . TRP A 181 ? 0.5154 0.6173 0.5599 0.0955 0.0009 0.1028 199 TRP B CE3 1444 C CZ2 . TRP A 181 ? 0.5476 0.6562 0.5899 0.0997 0.0007 0.1235 199 TRP B CZ2 1445 C CZ3 . TRP A 181 ? 0.5063 0.6040 0.5301 0.1057 0.0046 0.1077 199 TRP B CZ3 1446 C CH2 . TRP A 181 ? 0.5284 0.6306 0.5515 0.1081 0.0050 0.1179 199 TRP B CH2 1447 N N . THR A 182 ? 0.4140 0.5325 0.5106 0.0680 -0.0019 0.0889 200 THR B N 1448 C CA . THR A 182 ? 0.4308 0.5470 0.5264 0.0648 -0.0014 0.0804 200 THR B CA 1449 C C . THR A 182 ? 0.4507 0.5577 0.5278 0.0695 0.0001 0.0740 200 THR B C 1450 O O . THR A 182 ? 0.5112 0.6153 0.5737 0.0779 0.0038 0.0788 200 THR B O 1451 C CB . THR A 182 ? 0.4489 0.5741 0.5501 0.0635 0.0022 0.0872 200 THR B CB 1452 O OG1 . THR A 182 ? 0.5646 0.6969 0.6813 0.0574 -0.0010 0.0950 200 THR B OG1 1453 C CG2 . THR A 182 ? 0.3543 0.4758 0.4547 0.0589 0.0016 0.0784 200 THR B CG2 1454 N N . ILE A 183 ? 0.4118 0.5136 0.4879 0.0641 -0.0032 0.0636 201 ILE B N 1455 C CA . ILE A 183 ? 0.4504 0.5415 0.5087 0.0648 -0.0038 0.0579 201 ILE B CA 1456 C C . ILE A 183 ? 0.5140 0.6044 0.5713 0.0605 -0.0022 0.0548 201 ILE B C 1457 O O . ILE A 183 ? 0.5525 0.6498 0.6235 0.0535 -0.0031 0.0513 201 ILE B O 1458 C CB . ILE A 183 ? 0.4550 0.5433 0.5131 0.0600 -0.0097 0.0504 201 ILE B CB 1459 C CG1 . ILE A 183 ? 0.3839 0.4719 0.4425 0.0646 -0.0122 0.0535 201 ILE B CG1 1460 C CG2 . ILE A 183 ? 0.3926 0.4681 0.4312 0.0580 -0.0124 0.0459 201 ILE B CG2 1461 C CD1 . ILE A 183 ? 0.3847 0.4737 0.4462 0.0604 -0.0187 0.0472 201 ILE B CD1 1462 N N . LYS A 184 ? 0.5403 0.6205 0.5792 0.0656 -0.0002 0.0560 202 LYS B N 1463 C CA . LYS A 184 ? 0.5108 0.5876 0.5453 0.0626 0.0008 0.0540 202 LYS B CA 1464 C C . LYS A 184 ? 0.5346 0.5934 0.5476 0.0598 -0.0034 0.0479 202 LYS B C 1465 O O . LYS A 184 ? 0.5757 0.6193 0.5672 0.0674 -0.0045 0.0488 202 LYS B O 1466 C CB . LYS A 184 ? 0.5536 0.6339 0.5847 0.0721 0.0062 0.0621 202 LYS B CB 1467 C CG . LYS A 184 ? 0.6879 0.7871 0.7401 0.0725 0.0091 0.0706 202 LYS B CG 1468 C CD . LYS A 184 ? 0.8439 0.9521 0.9042 0.0716 0.0112 0.0753 202 LYS B CD 1469 C CE . LYS A 184 ? 0.9467 1.0506 1.0109 0.0608 0.0077 0.0672 202 LYS B CE 1470 N NZ . LYS A 184 ? 0.9796 1.0915 1.0515 0.0591 0.0085 0.0718 202 LYS B NZ 1471 N N . ALA A 185 ? 0.5265 0.5860 0.5435 0.0487 -0.0063 0.0423 203 ALA B N 1472 C CA . ALA A 185 ? 0.5291 0.5720 0.5265 0.0425 -0.0115 0.0380 203 ALA B CA 1473 C C . ALA A 185 ? 0.5534 0.5868 0.5396 0.0429 -0.0104 0.0388 203 ALA B C 1474 O O . ALA A 185 ? 0.5931 0.6383 0.5932 0.0425 -0.0064 0.0405 203 ALA B O 1475 C CB . ALA A 185 ? 0.4970 0.5498 0.5056 0.0291 -0.0154 0.0330 203 ALA B CB 1476 N N . LYS A 186 ? 0.5483 0.5579 0.5075 0.0435 -0.0151 0.0375 204 LYS B N 1477 C CA . LYS A 186 ? 0.5162 0.5126 0.4608 0.0457 -0.0152 0.0383 204 LYS B CA 1478 C C . LYS A 186 ? 0.5276 0.4954 0.4428 0.0394 -0.0240 0.0353 204 LYS B C 1479 O O . LYS A 186 ? 0.5870 0.5438 0.4907 0.0367 -0.0298 0.0336 204 LYS B O 1480 C CB . LYS A 186 ? 0.5525 0.5474 0.4908 0.0636 -0.0096 0.0437 204 LYS B CB 1481 C CG . LYS A 186 ? 0.7155 0.7058 0.6478 0.0671 -0.0082 0.0458 204 LYS B CG 1482 C CD . LYS A 186 ? 0.8183 0.8027 0.7362 0.0871 -0.0042 0.0509 204 LYS B CD 1483 C CE . LYS A 186 ? 0.9178 0.8884 0.8202 0.0916 -0.0058 0.0516 204 LYS B CE 1484 N NZ . LYS A 186 ? 0.9991 0.9669 0.8877 0.1138 -0.0012 0.0570 204 LYS B NZ 1485 N N . TYR A 187 ? 0.5315 0.4859 0.4336 0.0360 -0.0264 0.0351 205 TYR B N 1486 C CA . TYR A 187 ? 0.5669 0.4883 0.4364 0.0305 -0.0363 0.0333 205 TYR B CA 1487 C C . TYR A 187 ? 0.6251 0.5185 0.4640 0.0497 -0.0373 0.0344 205 TYR B C 1488 O O . TYR A 187 ? 0.6772 0.5789 0.5212 0.0643 -0.0300 0.0374 205 TYR B O 1489 C CB . TYR A 187 ? 0.5917 0.5098 0.4592 0.0159 -0.0397 0.0330 205 TYR B CB 1490 C CG . TYR A 187 ? 0.6189 0.5618 0.5099 -0.0029 -0.0398 0.0319 205 TYR B CG 1491 C CD1 . TYR A 187 ? 0.6230 0.5663 0.5128 -0.0140 -0.0462 0.0310 205 TYR B CD1 1492 C CD2 . TYR A 187 ? 0.5967 0.5633 0.5102 -0.0087 -0.0337 0.0319 205 TYR B CD2 1493 C CE1 . TYR A 187 ? 0.6248 0.5951 0.5373 -0.0292 -0.0454 0.0307 205 TYR B CE1 1494 C CE2 . TYR A 187 ? 0.5440 0.5344 0.4771 -0.0231 -0.0327 0.0306 205 TYR B CE2 1495 C CZ . TYR A 187 ? 0.5902 0.5842 0.5237 -0.0327 -0.0381 0.0303 205 TYR B CZ 1496 O OH . TYR A 187 ? 0.5688 0.5906 0.5229 -0.0451 -0.0364 0.0298 205 TYR B OH 1497 N N . LYS A 188 ? 0.6541 0.5148 0.4605 0.0501 -0.0468 0.0322 206 LYS B N 1498 C CA . LYS A 188 ? 0.6951 0.5261 0.4678 0.0712 -0.0479 0.0323 206 LYS B CA 1499 C C . LYS A 188 ? 0.7207 0.5296 0.4724 0.0764 -0.0506 0.0327 206 LYS B C 1500 O O . LYS A 188 ? 0.7801 0.5787 0.5155 0.0985 -0.0466 0.0341 206 LYS B O 1501 C CB . LYS A 188 ? 0.7267 0.5238 0.4660 0.0705 -0.0591 0.0291 206 LYS B CB 1502 C CG . LYS A 188 ? 0.7539 0.5207 0.4563 0.0957 -0.0593 0.0283 206 LYS B CG 1503 C CD . LYS A 188 ? 0.8679 0.6000 0.5366 0.0938 -0.0714 0.0247 206 LYS B CD 1504 C CE . LYS A 188 ? 0.9847 0.6833 0.6116 0.1212 -0.0717 0.0229 206 LYS B CE 1505 N NZ . LYS A 188 ? 1.0920 0.7486 0.6787 0.1188 -0.0861 0.0187 206 LYS B NZ 1506 N N . GLU A 189 ? 0.7782 0.5816 0.5302 0.0572 -0.0571 0.0321 207 GLU B N 1507 C CA . GLU A 189 ? 0.8598 0.6372 0.5881 0.0597 -0.0620 0.0326 207 GLU B CA 1508 C C . GLU A 189 ? 0.8202 0.6236 0.5761 0.0456 -0.0578 0.0347 207 GLU B C 1509 O O . GLU A 189 ? 0.6934 0.5276 0.4802 0.0300 -0.0541 0.0348 207 GLU B O 1510 C CB . GLU A 189 ? 1.0317 0.7617 0.7184 0.0488 -0.0784 0.0304 207 GLU B CB 1511 C CG . GLU A 189 ? 1.2097 0.9029 0.8586 0.0637 -0.0854 0.0275 207 GLU B CG 1512 C CD . GLU A 189 ? 1.3854 1.0552 1.0062 0.0931 -0.0826 0.0270 207 GLU B CD 1513 O OE1 . GLU A 189 ? 1.4322 1.1292 1.0709 0.1132 -0.0694 0.0287 207 GLU B OE1 1514 O OE2 . GLU A 189 ? 1.4814 1.1062 1.0618 0.0962 -0.0939 0.0254 207 GLU B OE2 1515 N N . ASP A 190 ? 0.8431 0.6330 0.5858 0.0534 -0.0585 0.0363 208 ASP B N 1516 C CA . ASP A 190 ? 0.7620 0.5573 0.5125 0.0378 -0.0602 0.0378 208 ASP B CA 1517 C C . ASP A 190 ? 0.7159 0.5559 0.5085 0.0337 -0.0492 0.0396 208 ASP B C 1518 O O . ASP A 190 ? 0.7310 0.5754 0.5277 0.0333 -0.0478 0.0417 208 ASP B O 1519 C CB . ASP A 190 ? 0.7493 0.5308 0.4895 0.0120 -0.0706 0.0371 208 ASP B CB 1520 C CG . ASP A 190 ? 0.8135 0.5437 0.5072 0.0121 -0.0851 0.0360 208 ASP B CG 1521 O OD1 . ASP A 190 ? 0.8298 0.5291 0.4941 0.0307 -0.0883 0.0355 208 ASP B OD1 1522 O OD2 . ASP A 190 ? 0.8585 0.5790 0.5443 -0.0063 -0.0941 0.0359 208 ASP B OD2 1523 N N . PHE A 191 ? 0.6428 0.5133 0.4643 0.0306 -0.0425 0.0388 209 PHE B N 1524 C CA . PHE A 191 ? 0.6101 0.5176 0.4675 0.0231 -0.0347 0.0395 209 PHE B CA 1525 C C . PHE A 191 ? 0.5900 0.5232 0.4713 0.0374 -0.0256 0.0416 209 PHE B C 1526 O O . PHE A 191 ? 0.6388 0.5668 0.5129 0.0508 -0.0242 0.0423 209 PHE B O 1527 C CB . PHE A 191 ? 0.5814 0.5036 0.4530 0.0030 -0.0360 0.0370 209 PHE B CB 1528 C CG . PHE A 191 ? 0.5976 0.4991 0.4480 -0.0140 -0.0450 0.0370 209 PHE B CG 1529 C CD1 . PHE A 191 ? 0.5894 0.4883 0.4358 -0.0221 -0.0461 0.0385 209 PHE B CD1 1530 C CD2 . PHE A 191 ? 0.5863 0.4701 0.4195 -0.0230 -0.0534 0.0364 209 PHE B CD2 1531 C CE1 . PHE A 191 ? 0.6112 0.4912 0.4373 -0.0393 -0.0548 0.0401 209 PHE B CE1 1532 C CE2 . PHE A 191 ? 0.5988 0.4638 0.4123 -0.0411 -0.0631 0.0382 209 PHE B CE2 1533 C CZ . PHE A 191 ? 0.6673 0.5307 0.4774 -0.0495 -0.0635 0.0403 209 PHE B CZ 1534 N N . SER A 192 ? 0.5489 0.5091 0.4574 0.0336 -0.0201 0.0430 210 SER B N 1535 C CA . SER A 192 ? 0.4686 0.4546 0.4020 0.0430 -0.0130 0.0463 210 SER B CA 1536 C C . SER A 192 ? 0.4442 0.4521 0.4024 0.0327 -0.0104 0.0436 210 SER B C 1537 O O . SER A 192 ? 0.4553 0.4836 0.4350 0.0369 -0.0059 0.0464 210 SER B O 1538 C CB . SER A 192 ? 0.4798 0.4776 0.4239 0.0476 -0.0106 0.0511 210 SER B CB 1539 O OG . SER A 192 ? 0.4502 0.4553 0.4041 0.0326 -0.0118 0.0485 210 SER B OG 1540 N N . THR A 193 ? 0.4463 0.4506 0.4014 0.0194 -0.0136 0.0388 211 THR B N 1541 C CA . THR A 193 ? 0.4524 0.4774 0.4292 0.0117 -0.0114 0.0358 211 THR B CA 1542 C C . THR A 193 ? 0.4693 0.5017 0.4553 0.0213 -0.0089 0.0371 211 THR B C 1543 O O . THR A 193 ? 0.5701 0.5878 0.5399 0.0291 -0.0107 0.0384 211 THR B O 1544 C CB . THR A 193 ? 0.4586 0.4798 0.4283 -0.0024 -0.0156 0.0321 211 THR B CB 1545 O OG1 . THR A 193 ? 0.5101 0.5157 0.4616 -0.0103 -0.0196 0.0327 211 THR B OG1 1546 C CG2 . THR A 193 ? 0.4258 0.4721 0.4184 -0.0104 -0.0124 0.0288 211 THR B CG2 1547 N N . THR A 194 ? 0.4442 0.4969 0.4536 0.0209 -0.0055 0.0370 212 THR B N 1548 C CA . THR A 194 ? 0.4781 0.5387 0.4975 0.0283 -0.0036 0.0389 212 THR B CA 1549 C C . THR A 194 ? 0.5000 0.5751 0.5369 0.0217 -0.0037 0.0346 212 THR B C 1550 O O . THR A 194 ? 0.5145 0.5985 0.5607 0.0145 -0.0033 0.0312 212 THR B O 1551 C CB . THR A 194 ? 0.4710 0.5410 0.5012 0.0378 0.0001 0.0458 212 THR B CB 1552 O OG1 . THR A 194 ? 0.5496 0.6327 0.5978 0.0318 0.0005 0.0456 212 THR B OG1 1553 C CG2 . THR A 194 ? 0.4871 0.5476 0.5025 0.0464 0.0009 0.0506 212 THR B CG2 1554 N N . GLY A 195 ? 0.4803 0.5573 0.5199 0.0255 -0.0044 0.0348 213 GLY B N 1555 C CA . GLY A 195 ? 0.4048 0.4955 0.4613 0.0231 -0.0046 0.0318 213 GLY B CA 1556 C C . GLY A 195 ? 0.4304 0.5249 0.4956 0.0317 -0.0034 0.0365 213 GLY B C 1557 O O . GLY A 195 ? 0.4638 0.5515 0.5198 0.0393 -0.0021 0.0419 213 GLY B O 1558 N N . THR A 196 ? 0.4415 0.5461 0.5227 0.0312 -0.0038 0.0350 214 THR B N 1559 C CA . THR A 196 ? 0.4310 0.5382 0.5203 0.0374 -0.0037 0.0407 214 THR B CA 1560 C C . THR A 196 ? 0.4469 0.5596 0.5470 0.0373 -0.0066 0.0367 214 THR B C 1561 O O . THR A 196 ? 0.5147 0.6327 0.6218 0.0339 -0.0075 0.0306 214 THR B O 1562 C CB . THR A 196 ? 0.4109 0.5213 0.5080 0.0375 -0.0027 0.0464 214 THR B CB 1563 O OG1 . THR A 196 ? 0.4766 0.5841 0.5643 0.0398 0.0000 0.0509 214 THR B OG1 1564 C CG2 . THR A 196 ? 0.4432 0.5572 0.5488 0.0414 -0.0036 0.0540 214 THR B CG2 1565 N N . ALA A 197 ? 0.4536 0.5650 0.5537 0.0424 -0.0078 0.0403 215 ALA B N 1566 C CA . ALA A 197 ? 0.4052 0.5202 0.5150 0.0442 -0.0113 0.0380 215 ALA B CA 1567 C C . ALA A 197 ? 0.3973 0.5095 0.5095 0.0488 -0.0122 0.0464 215 ALA B C 1568 O O . ALA A 197 ? 0.3935 0.5041 0.4994 0.0514 -0.0092 0.0540 215 ALA B O 1569 C CB . ALA A 197 ? 0.4285 0.5461 0.5350 0.0441 -0.0137 0.0333 215 ALA B CB 1570 N N . TYR A 198 ? 0.3882 0.5002 0.5089 0.0504 -0.0164 0.0456 216 TYR B N 1571 C CA . TYR A 198 ? 0.3788 0.4873 0.5019 0.0530 -0.0185 0.0543 216 TYR B CA 1572 C C . TYR A 198 ? 0.3760 0.4826 0.5000 0.0572 -0.0230 0.0520 216 TYR B C 1573 O O . TYR A 198 ? 0.3921 0.5016 0.5199 0.0582 -0.0254 0.0434 216 TYR B O 1574 C CB . TYR A 198 ? 0.3551 0.4604 0.4862 0.0492 -0.0218 0.0578 216 TYR B CB 1575 C CG . TYR A 198 ? 0.3508 0.4595 0.4823 0.0446 -0.0185 0.0614 216 TYR B CG 1576 C CD1 . TYR A 198 ? 0.4304 0.5390 0.5623 0.0412 -0.0182 0.0536 216 TYR B CD1 1577 C CD2 . TYR A 198 ? 0.3511 0.4652 0.4825 0.0444 -0.0156 0.0734 216 TYR B CD2 1578 C CE1 . TYR A 198 ? 0.4097 0.5208 0.5414 0.0371 -0.0160 0.0572 216 TYR B CE1 1579 C CE2 . TYR A 198 ? 0.4091 0.5287 0.5421 0.0412 -0.0130 0.0774 216 TYR B CE2 1580 C CZ . TYR A 198 ? 0.4380 0.5549 0.5709 0.0372 -0.0138 0.0692 216 TYR B CZ 1581 O OH . TYR A 198 ? 0.4567 0.5784 0.5906 0.0340 -0.0121 0.0734 216 TYR B OH 1582 N N . PHE A 199 ? 0.3795 0.4830 0.5000 0.0602 -0.0238 0.0604 217 PHE B N 1583 C CA . PHE A 199 ? 0.3843 0.4840 0.5057 0.0642 -0.0294 0.0599 217 PHE B CA 1584 C C . PHE A 199 ? 0.4413 0.5363 0.5611 0.0649 -0.0308 0.0719 217 PHE B C 1585 O O . PHE A 199 ? 0.5476 0.6463 0.6619 0.0649 -0.0256 0.0805 217 PHE B O 1586 C CB . PHE A 199 ? 0.3735 0.4753 0.4873 0.0672 -0.0297 0.0556 217 PHE B CB 1587 C CG . PHE A 199 ? 0.4039 0.5026 0.5034 0.0694 -0.0260 0.0620 217 PHE B CG 1588 C CD1 . PHE A 199 ? 0.3894 0.4835 0.4821 0.0738 -0.0278 0.0690 217 PHE B CD1 1589 C CD2 . PHE A 199 ? 0.4409 0.5396 0.5310 0.0683 -0.0209 0.0609 217 PHE B CD2 1590 C CE1 . PHE A 199 ? 0.3997 0.4902 0.4761 0.0779 -0.0239 0.0744 217 PHE B CE1 1591 C CE2 . PHE A 199 ? 0.4625 0.5556 0.5357 0.0731 -0.0177 0.0659 217 PHE B CE2 1592 C CZ . PHE A 199 ? 0.4759 0.5653 0.5418 0.0784 -0.0188 0.0724 217 PHE B CZ 1593 N N . GLU A 200 ? 0.4113 0.4988 0.5353 0.0659 -0.0379 0.0730 218 GLU B N 1594 C CA . GLU A 200 ? 0.4829 0.5650 0.6055 0.0645 -0.0407 0.0856 218 GLU B CA 1595 C C . GLU A 200 ? 0.4446 0.5247 0.5591 0.0699 -0.0421 0.0888 218 GLU B C 1596 O O . GLU A 200 ? 0.4406 0.5190 0.5541 0.0746 -0.0457 0.0804 218 GLU B O 1597 C CB . GLU A 200 ? 0.5467 0.6161 0.6747 0.0617 -0.0498 0.0862 218 GLU B CB 1598 C CG . GLU A 200 ? 0.6883 0.7559 0.8217 0.0564 -0.0505 0.0826 218 GLU B CG 1599 C CD . GLU A 200 ? 0.8227 0.8724 0.9565 0.0528 -0.0611 0.0854 218 GLU B CD 1600 O OE1 . GLU A 200 ? 0.9003 0.9459 1.0338 0.0460 -0.0646 0.0992 218 GLU B OE1 1601 O OE2 . GLU A 200 ? 0.8754 0.9146 1.0084 0.0570 -0.0663 0.0743 218 GLU B OE2 1602 N N . VAL A 201 ? 0.4132 0.4951 0.5219 0.0693 -0.0394 0.1017 219 VAL B N 1603 C CA . VAL A 201 ? 0.4695 0.5472 0.5687 0.0739 -0.0415 0.1068 219 VAL B CA 1604 C C . VAL A 201 ? 0.4580 0.5283 0.5601 0.0696 -0.0478 0.1185 219 VAL B C 1605 O O . VAL A 201 ? 0.4397 0.5161 0.5441 0.0638 -0.0449 0.1311 219 VAL B O 1606 C CB . VAL A 201 ? 0.4270 0.5119 0.5128 0.0783 -0.0329 0.1125 219 VAL B CB 1607 C CG1 . VAL A 201 ? 0.4421 0.5213 0.5160 0.0830 -0.0357 0.1186 219 VAL B CG1 1608 C CG2 . VAL A 201 ? 0.4196 0.5060 0.4993 0.0815 -0.0295 0.1008 219 VAL B CG2 1609 N N . LYS A 202 ? 0.4698 0.5273 0.5716 0.0721 -0.0573 0.1150 220 LYS B N 1610 C CA . LYS A 202 ? 0.5760 0.6206 0.6780 0.0677 -0.0659 0.1249 220 LYS B CA 1611 C C . LYS A 202 ? 0.6228 0.6615 0.7145 0.0722 -0.0696 0.1307 220 LYS B C 1612 O O . LYS A 202 ? 0.6142 0.6538 0.7010 0.0798 -0.0697 0.1225 220 LYS B O 1613 C CB . LYS A 202 ? 0.6509 0.6799 0.7586 0.0681 -0.0761 0.1157 220 LYS B CB 1614 C CG . LYS A 202 ? 0.7331 0.7640 0.8485 0.0629 -0.0743 0.1109 220 LYS B CG 1615 C CD . LYS A 202 ? 0.8525 0.8653 0.9690 0.0662 -0.0845 0.1006 220 LYS B CD 1616 C CE . LYS A 202 ? 0.8829 0.8950 1.0040 0.0611 -0.0835 0.0956 220 LYS B CE 1617 N NZ . LYS A 202 ? 0.9109 0.9208 1.0331 0.0482 -0.0853 0.1102 220 LYS B NZ 1618 N N . GLU A 203 ? 0.6448 0.6775 0.7330 0.0663 -0.0734 0.1459 221 GLU B N 1619 C CA . GLU A 203 ? 0.6367 0.6626 0.7136 0.0694 -0.0772 0.1537 221 GLU B CA 1620 C C . GLU A 203 ? 0.6160 0.6205 0.6920 0.0730 -0.0911 0.1476 221 GLU B C 1621 O O . GLU A 203 ? 0.6565 0.6462 0.7368 0.0685 -0.0997 0.1479 221 GLU B O 1622 C CB . GLU A 203 ? 0.7099 0.7405 0.7833 0.0607 -0.0752 0.1743 221 GLU B CB 1623 C CG . GLU A 203 ? 0.7828 0.8049 0.8433 0.0623 -0.0799 0.1846 221 GLU B CG 1624 C CD . GLU A 203 ? 0.8392 0.8704 0.8974 0.0524 -0.0769 0.2068 221 GLU B CD 1625 O OE1 . GLU A 203 ? 0.7792 0.8241 0.8476 0.0441 -0.0720 0.2142 221 GLU B OE1 1626 O OE2 . GLU A 203 ? 0.9471 0.9732 0.9936 0.0526 -0.0797 0.2176 221 GLU B OE2 1627 N N . TYR A 204 ? 0.5579 0.5595 0.6271 0.0819 -0.0941 0.1421 222 TYR B N 1628 C CA . TYR A 204 ? 0.6403 0.6237 0.7086 0.0878 -0.1072 0.1367 222 TYR B CA 1629 C C . TYR A 204 ? 0.6759 0.6413 0.7347 0.0826 -0.1161 0.1519 222 TYR B C 1630 O O . TYR A 204 ? 0.6793 0.6498 0.7288 0.0790 -0.1120 0.1650 222 TYR B O 1631 C CB . TYR A 204 ? 0.6820 0.6706 0.7474 0.0981 -0.1086 0.1273 222 TYR B CB 1632 C CG . TYR A 204 ? 0.7421 0.7157 0.8083 0.1066 -0.1219 0.1213 222 TYR B CG 1633 C CD1 . TYR A 204 ? 0.7901 0.7648 0.8673 0.1135 -0.1252 0.1074 222 TYR B CD1 1634 C CD2 . TYR A 204 ? 0.7558 0.7144 0.8108 0.1088 -0.1310 0.1299 222 TYR B CD2 1635 C CE1 . TYR A 204 ? 0.8407 0.8031 0.9182 0.1241 -0.1369 0.1019 222 TYR B CE1 1636 C CE2 . TYR A 204 ? 0.8364 0.7803 0.8913 0.1183 -0.1438 0.1245 222 TYR B CE2 1637 C CZ . TYR A 204 ? 0.8883 0.8347 0.9547 0.1267 -0.1466 0.1104 222 TYR B CZ 1638 O OH . TYR A 204 ? 0.9089 0.8422 0.9747 0.1390 -0.1589 0.1050 222 TYR B OH 1639 N N . VAL A 205 ? 0.7078 0.6506 0.7668 0.0824 -0.1287 0.1505 223 VAL B N 1640 C CA . VAL A 205 ? 0.7129 0.6326 0.7609 0.0774 -0.1405 0.1640 223 VAL B CA 1641 C C . VAL A 205 ? 0.7871 0.6845 0.8310 0.0895 -0.1544 0.1540 223 VAL B C 1642 O O . VAL A 205 ? 0.8199 0.7111 0.8699 0.0965 -0.1581 0.1403 223 VAL B O 1643 C CB . VAL A 205 ? 0.7119 0.6205 0.7606 0.0627 -0.1447 0.1759 223 VAL B CB 1644 C CG1 . VAL A 205 ? 0.7089 0.5940 0.7446 0.0550 -0.1573 0.1925 223 VAL B CG1 1645 C CG2 . VAL A 205 ? 0.6098 0.5458 0.6662 0.0529 -0.1302 0.1846 223 VAL B CG2 1646 N N . LEU A 206 ? 0.8647 0.7506 0.8974 0.0929 -0.1620 0.1609 224 LEU B N 1647 C CA . LEU A 206 ? 0.9110 0.7769 0.9393 0.1063 -0.1757 0.1522 224 LEU B CA 1648 C C . LEU A 206 ? 0.8922 0.7248 0.9140 0.1047 -0.1897 0.1531 224 LEU B C 1649 O O . LEU A 206 ? 0.8747 0.6887 0.8862 0.0916 -0.1964 0.1689 224 LEU B O 1650 C CB . LEU A 206 ? 1.0398 0.8996 1.0558 0.1092 -0.1813 0.1612 224 LEU B CB 1651 C CG . LEU A 206 ? 1.1359 0.9759 1.1468 0.1242 -0.1963 0.1538 224 LEU B CG 1652 C CD1 . LEU A 206 ? 1.1217 0.9829 1.1468 0.1390 -0.1925 0.1355 224 LEU B CD1 1653 C CD2 . LEU A 206 ? 1.2062 1.0367 1.2025 0.1242 -0.2030 0.1657 224 LEU B CD2 1654 N N . PRO A 207 ? 0.9043 0.7280 0.9300 0.1173 -0.1950 0.1372 225 PRO B N 1655 C CA . PRO A 207 ? 0.8930 0.6791 0.9074 0.1181 -0.2101 0.1365 225 PRO B CA 1656 C C . PRO A 207 ? 0.9049 0.6607 0.9044 0.1297 -0.2268 0.1374 225 PRO B C 1657 O O . PRO A 207 ? 0.8900 0.6571 0.8929 0.1445 -0.2271 0.1306 225 PRO B O 1658 C CB . PRO A 207 ? 0.8801 0.6744 0.9043 0.1296 -0.2057 0.1176 225 PRO B CB 1659 C CG . PRO A 207 ? 0.8642 0.6927 0.9022 0.1421 -0.1957 0.1073 225 PRO B CG 1660 C CD . PRO A 207 ? 0.8742 0.7235 0.9143 0.1307 -0.1866 0.1196 225 PRO B CD 1661 N N . HIS A 208 ? 0.9325 0.6482 0.9147 0.1224 -0.2423 0.1467 226 HIS B N 1662 C CA . HIS A 208 ? 1.0131 0.6936 0.9776 0.1333 -0.2603 0.1483 226 HIS B CA 1663 C C . HIS A 208 ? 1.0624 0.7253 1.0232 0.1569 -0.2688 0.1291 226 HIS B C 1664 O O . HIS A 208 ? 1.0711 0.7295 1.0286 0.1756 -0.2757 0.1229 226 HIS B O 1665 C CB . HIS A 208 ? 1.0857 0.7267 1.0302 0.1154 -0.2753 0.1668 226 HIS B CB 1666 C CG . HIS A 208 ? 1.1141 0.7757 1.0628 0.0923 -0.2661 0.1872 226 HIS B CG 1667 N ND1 . HIS A 208 ? 1.1386 0.8165 1.0865 0.0910 -0.2614 0.1974 226 HIS B ND1 1668 C CD2 . HIS A 208 ? 1.0937 0.7641 1.0470 0.0709 -0.2604 0.1996 226 HIS B CD2 1669 C CE1 . HIS A 208 ? 1.1351 0.8313 1.0860 0.0710 -0.2523 0.2150 226 HIS B CE1 1670 N NE2 . HIS A 208 ? 1.1097 0.8034 1.0654 0.0584 -0.2515 0.2171 226 HIS B NE2 1671 N N . PHE A 209 ? 1.0924 0.7462 1.0529 0.1572 -0.2683 0.1198 227 PHE B N 1672 C CA . PHE A 209 ? 1.0475 0.6871 1.0032 0.1810 -0.2743 0.1009 227 PHE B CA 1673 C C . PHE A 209 ? 0.9650 0.6227 0.9317 0.1787 -0.2624 0.0901 227 PHE B C 1674 O O . PHE A 209 ? 0.8550 0.5326 0.8321 0.1587 -0.2515 0.0978 227 PHE B O 1675 C CB . PHE A 209 ? 1.0747 0.6541 1.0008 0.1871 -0.2977 0.1027 227 PHE B CB 1676 C CG . PHE A 209 ? 1.0646 0.6099 0.9749 0.1616 -0.3077 0.1180 227 PHE B CG 1677 C CD1 . PHE A 209 ? 1.0624 0.5966 0.9655 0.1419 -0.3143 0.1392 227 PHE B CD1 1678 C CD2 . PHE A 209 ? 1.0909 0.6163 0.9933 0.1569 -0.3111 0.1120 227 PHE B CD2 1679 C CE1 . PHE A 209 ? 1.0915 0.5984 0.9820 0.1167 -0.3240 0.1553 227 PHE B CE1 1680 C CE2 . PHE A 209 ? 1.1205 0.6160 1.0094 0.1316 -0.3220 0.1273 227 PHE B CE2 1681 C CZ . PHE A 209 ? 1.1210 0.6087 1.0051 0.1111 -0.3284 0.1496 227 PHE B CZ 1682 N N . SER A 210 ? 1.0651 0.7171 1.0290 0.2006 -0.2642 0.0724 228 SER B N 1683 C CA . SER A 210 ? 1.1012 0.7701 1.0738 0.2016 -0.2531 0.0605 228 SER B CA 1684 C C . SER A 210 ? 1.1387 0.7580 1.0863 0.2011 -0.2675 0.0572 228 SER B C 1685 O O . SER A 210 ? 1.2035 0.7807 1.1282 0.2170 -0.2843 0.0525 228 SER B O 1686 C CB . SER A 210 ? 1.1684 0.8716 1.1560 0.2262 -0.2429 0.0432 228 SER B CB 1687 O OG . SER A 210 ? 1.2881 0.9645 1.2601 0.2522 -0.2560 0.0337 228 SER B OG 1688 N N . VAL A 211 ? 1.0921 0.7148 1.0427 0.1832 -0.2618 0.0595 229 VAL B N 1689 C CA . VAL A 211 ? 1.0889 0.6661 1.0160 0.1785 -0.2754 0.0573 229 VAL B CA 1690 C C . VAL A 211 ? 1.0282 0.6255 0.9628 0.1860 -0.2632 0.0419 229 VAL B C 1691 O O . VAL A 211 ? 0.8581 0.4989 0.8159 0.1747 -0.2458 0.0434 229 VAL B O 1692 C CB . VAL A 211 ? 1.0606 0.6203 0.9826 0.1466 -0.2828 0.0777 229 VAL B CB 1693 C CG1 . VAL A 211 ? 0.9767 0.4865 0.8728 0.1406 -0.2995 0.0757 229 VAL B CG1 1694 C CG2 . VAL A 211 ? 1.0883 0.6319 1.0033 0.1383 -0.2934 0.0944 229 VAL B CG2 1695 N N . SER A 212 ? 1.0642 0.6283 0.9769 0.2054 -0.2728 0.0272 230 SER B N 1696 C CA . SER A 212 ? 1.0313 0.6093 0.9458 0.2157 -0.2629 0.0114 230 SER B CA 1697 C C . SER A 212 ? 1.0866 0.6097 0.9699 0.2105 -0.2794 0.0089 230 SER B C 1698 O O . SER A 212 ? 1.1309 0.5991 0.9848 0.2152 -0.3005 0.0105 230 SER B O 1699 C CB . SER A 212 ? 1.0583 0.6544 0.9754 0.2497 -0.2565 -0.0062 230 SER B CB 1700 O OG . SER A 212 ? 1.1341 0.7360 1.0465 0.2622 -0.2493 -0.0216 230 SER B OG 1701 N N . ILE A 213 ? 1.1053 0.6411 0.9934 0.1999 -0.2710 0.0053 231 ILE B N 1702 C CA . ILE A 213 ? 1.1503 0.6374 1.0090 0.1952 -0.2857 0.0012 231 ILE B CA 1703 C C . ILE A 213 ? 1.1359 0.6335 0.9892 0.2183 -0.2759 -0.0197 231 ILE B C 1704 O O . ILE A 213 ? 1.0863 0.6372 0.9663 0.2187 -0.2549 -0.0241 231 ILE B O 1705 C CB . ILE A 213 ? 1.0998 0.5895 0.9663 0.1602 -0.2868 0.0171 231 ILE B CB 1706 C CG1 . ILE A 213 ? 0.9721 0.4738 0.8540 0.1378 -0.2884 0.0390 231 ILE B CG1 1707 C CG2 . ILE A 213 ? 1.0453 0.4734 0.8767 0.1518 -0.3091 0.0169 231 ILE B CG2 1708 C CD1 . ILE A 213 ? 0.9500 0.4667 0.8452 0.1054 -0.2860 0.0560 231 ILE B CD1 1709 N N . GLU A 214 ? 1.1707 0.6163 0.9878 0.2374 -0.2914 -0.0322 232 GLU B N 1710 C CA . GLU A 214 ? 1.1967 0.6464 1.0024 0.2625 -0.2835 -0.0525 232 GLU B CA 1711 C C . GLU A 214 ? 1.2019 0.5940 0.9707 0.2558 -0.3006 -0.0567 232 GLU B C 1712 O O . GLU A 214 ? 1.2732 0.6008 1.0038 0.2648 -0.3235 -0.0596 232 GLU B O 1713 C CB . GLU A 214 ? 1.2889 0.7342 1.0833 0.3010 -0.2841 -0.0669 232 GLU B CB 1714 C CG . GLU A 214 ? 1.3196 0.8237 1.1504 0.3090 -0.2680 -0.0637 232 GLU B CG 1715 C CD . GLU A 214 ? 1.4283 0.9312 1.2494 0.3480 -0.2692 -0.0771 232 GLU B CD 1716 O OE1 . GLU A 214 ? 1.5087 0.9595 1.2918 0.3698 -0.2839 -0.0886 232 GLU B OE1 1717 O OE2 . GLU A 214 ? 1.4214 0.9754 1.2720 0.3573 -0.2561 -0.0760 232 GLU B OE2 1718 N N . PRO A 215 ? 1.1623 0.5718 0.9385 0.2400 -0.2920 -0.0570 233 PRO B N 1719 C CA . PRO A 215 ? 1.1495 0.5050 0.8892 0.2349 -0.3085 -0.0624 233 PRO B CA 1720 C C . PRO A 215 ? 1.2787 0.6151 0.9892 0.2710 -0.3073 -0.0857 233 PRO B C 1721 O O . PRO A 215 ? 1.2672 0.6461 0.9932 0.2971 -0.2891 -0.0970 233 PRO B O 1722 C CB . PRO A 215 ? 1.1025 0.4948 0.8665 0.2071 -0.2963 -0.0543 233 PRO B CB 1723 C CG . PRO A 215 ? 1.0357 0.5022 0.8408 0.2141 -0.2685 -0.0562 233 PRO B CG 1724 C CD . PRO A 215 ? 1.0293 0.5068 0.8465 0.2250 -0.2681 -0.0518 233 PRO B CD 1725 N N . GLU A 216 ? 1.3293 0.6004 0.9956 0.2722 -0.3278 -0.0922 234 GLU B N 1726 C CA . GLU A 216 ? 1.3568 0.6028 0.9885 0.3077 -0.3282 -0.1148 234 GLU B CA 1727 C C . GLU A 216 ? 1.3417 0.6452 0.9944 0.3146 -0.3025 -0.1246 234 GLU B C 1728 O O . GLU A 216 ? 1.3614 0.6898 1.0132 0.3479 -0.2883 -0.1401 234 GLU B O 1729 C CB . GLU A 216 ? 1.4481 0.6087 1.0255 0.3039 -0.3570 -0.1190 234 GLU B CB 1730 C CG . GLU A 216 ? 1.5504 0.6679 1.0809 0.3453 -0.3637 -0.1418 234 GLU B CG 1731 C CD . GLU A 216 ? 1.6536 0.6999 1.1320 0.3330 -0.3903 -0.1428 234 GLU B CD 1732 O OE1 . GLU A 216 ? 1.6469 0.6624 1.1228 0.2970 -0.4088 -0.1261 234 GLU B OE1 1733 O OE2 . GLU A 216 ? 1.7283 0.7519 1.1683 0.3591 -0.3929 -0.1592 234 GLU B OE2 1734 N N . TYR A 217 ? 1.3238 0.6507 0.9961 0.2837 -0.2962 -0.1148 235 TYR B N 1735 C CA . TYR A 217 ? 1.3329 0.7145 1.0266 0.2857 -0.2724 -0.1215 235 TYR B CA 1736 C C . TYR A 217 ? 1.2857 0.7174 1.0233 0.2511 -0.2604 -0.1037 235 TYR B C 1737 O O . TYR A 217 ? 1.2683 0.6866 1.0143 0.2246 -0.2720 -0.0867 235 TYR B O 1738 C CB . TYR A 217 ? 1.2097 0.5533 0.8656 0.2904 -0.2798 -0.1339 235 TYR B CB 1739 C CG . TYR A 217 ? 1.2879 0.5699 0.8919 0.3239 -0.2954 -0.1514 235 TYR B CG 1740 C CD1 . TYR A 217 ? 1.2958 0.6005 0.8942 0.3636 -0.2805 -0.1686 235 TYR B CD1 1741 C CD2 . TYR A 217 ? 1.3567 0.5578 0.9161 0.3161 -0.3256 -0.1502 235 TYR B CD2 1742 C CE1 . TYR A 217 ? 1.3706 0.6187 0.9194 0.3976 -0.2943 -0.1852 235 TYR B CE1 1743 C CE2 . TYR A 217 ? 1.4340 0.5731 0.9413 0.3483 -0.3412 -0.1671 235 TYR B CE2 1744 C CZ . TYR A 217 ? 1.5659 0.7287 1.0675 0.3905 -0.3249 -0.1850 235 TYR B CZ 1745 O OH . TYR A 217 ? 1.6332 0.7589 1.0895 0.4149 -0.3347 -0.1972 235 TYR B OH 1746 N N . ASN A 218 ? 1.2652 0.7555 1.0298 0.2522 -0.2367 -0.1074 236 ASN B N 1747 C CA . ASN A 218 ? 1.1981 0.7345 1.0005 0.2223 -0.2245 -0.0925 236 ASN B CA 1748 C C . ASN A 218 ? 1.1606 0.6751 0.9518 0.1973 -0.2334 -0.0870 236 ASN B C 1749 O O . ASN A 218 ? 1.1093 0.6546 0.9285 0.1711 -0.2269 -0.0728 236 ASN B O 1750 C CB . ASN A 218 ? 1.1997 0.8040 1.0334 0.2319 -0.1976 -0.0978 236 ASN B CB 1751 C CG . ASN A 218 ? 1.2871 0.9229 1.1400 0.2509 -0.1883 -0.0994 236 ASN B CG 1752 O OD1 . ASN A 218 ? 1.3366 0.9565 1.1919 0.2481 -0.1986 -0.0912 236 ASN B OD1 1753 N ND2 . ASN A 218 ? 1.3120 0.9938 1.1789 0.2694 -0.1693 -0.1090 236 ASN B ND2 1754 N N . PHE A 219 ? 1.2086 0.6706 0.9586 0.2057 -0.2485 -0.0977 237 PHE B N 1755 C CA . PHE A 219 ? 1.2377 0.6729 0.9727 0.1826 -0.2604 -0.0928 237 PHE B CA 1756 C C . PHE A 219 ? 1.3547 0.7106 1.0424 0.1840 -0.2900 -0.0956 237 PHE B C 1757 O O . PHE A 219 ? 1.4140 0.7357 1.0748 0.2102 -0.2980 -0.1070 237 PHE B O 1758 C CB . PHE A 219 ? 1.1984 0.6552 0.9288 0.1909 -0.2460 -0.1053 237 PHE B CB 1759 C CG . PHE A 219 ? 1.1342 0.6644 0.9051 0.1943 -0.2176 -0.1051 237 PHE B CG 1760 C CD1 . PHE A 219 ? 1.1024 0.6732 0.9068 0.1678 -0.2077 -0.0913 237 PHE B CD1 1761 C CD2 . PHE A 219 ? 1.1138 0.6724 0.8885 0.2241 -0.2017 -0.1181 237 PHE B CD2 1762 C CE1 . PHE A 219 ? 1.0412 0.6742 0.8793 0.1702 -0.1836 -0.0911 237 PHE B CE1 1763 C CE2 . PHE A 219 ? 1.0451 0.6699 0.8563 0.2247 -0.1776 -0.1167 237 PHE B CE2 1764 C CZ . PHE A 219 ? 1.0161 0.6754 0.8574 0.1974 -0.1691 -0.1034 237 PHE B CZ 1765 N N . ILE A 220 ? 1.4003 0.7262 1.0773 0.1554 -0.3073 -0.0847 238 ILE B N 1766 C CA . ILE A 220 ? 1.5044 0.7516 1.1357 0.1501 -0.3387 -0.0845 238 ILE B CA 1767 C C . ILE A 220 ? 1.6533 0.8702 1.2526 0.1489 -0.3467 -0.0946 238 ILE B C 1768 O O . ILE A 220 ? 1.6403 0.8762 1.2556 0.1223 -0.3459 -0.0840 238 ILE B O 1769 C CB . ILE A 220 ? 1.4163 0.6499 1.0603 0.1146 -0.3565 -0.0601 238 ILE B CB 1770 C CG1 . ILE A 220 ? 1.4026 0.6676 1.0771 0.1171 -0.3473 -0.0504 238 ILE B CG1 1771 C CG2 . ILE A 220 ? 1.4139 0.5628 1.0083 0.1073 -0.3912 -0.0592 238 ILE B CG2 1772 C CD1 . ILE A 220 ? 1.4435 0.7015 1.1322 0.0835 -0.3622 -0.0253 238 ILE B CD1 1773 N N . GLY A 221 ? 1.7735 0.9434 1.3264 0.1789 -0.3544 -0.1152 239 GLY B N 1774 C CA . GLY A 221 ? 1.8061 0.9400 1.3208 0.1820 -0.3632 -0.1271 239 GLY B CA 1775 C C . GLY A 221 ? 1.8948 0.9408 1.3588 0.1701 -0.3999 -0.1252 239 GLY B C 1776 O O . GLY A 221 ? 1.9562 0.9728 1.4196 0.1521 -0.4193 -0.1106 239 GLY B O 1777 N N . TYR A 222 ? 1.8795 0.8813 1.2982 0.1800 -0.4103 -0.1399 240 TYR B N 1778 C CA . TYR A 222 ? 1.8686 0.7814 1.2335 0.1682 -0.4473 -0.1393 240 TYR B CA 1779 C C . TYR A 222 ? 1.8494 0.7272 1.1822 0.1912 -0.4583 -0.1450 240 TYR B C 1780 O O . TYR A 222 ? 1.8923 0.7247 1.1988 0.1731 -0.4852 -0.1342 240 TYR B O 1781 C CB . TYR A 222 ? 1.8873 0.7791 1.2157 0.1725 -0.4511 -0.1514 240 TYR B CB 1782 C CG . TYR A 222 ? 1.6555 0.5491 0.9545 0.2182 -0.4347 -0.1763 240 TYR B CG 1783 C CD1 . TYR A 222 ? 1.6198 0.5691 0.9461 0.2416 -0.4033 -0.1888 240 TYR B CD1 1784 C CD2 . TYR A 222 ? 1.7340 0.5782 0.9789 0.2376 -0.4502 -0.1857 240 TYR B CD2 1785 C CE1 . TYR A 222 ? 1.6245 0.5818 0.9264 0.2829 -0.3873 -0.2096 240 TYR B CE1 1786 C CE2 . TYR A 222 ? 1.7580 0.6084 0.9776 0.2798 -0.4343 -0.2066 240 TYR B CE2 1787 C CZ . TYR A 222 ? 1.7017 0.6114 0.9514 0.3018 -0.4022 -0.2178 240 TYR B CZ 1788 O OH . TYR A 222 ? 1.7240 0.6475 0.9517 0.3427 -0.3851 -0.2362 240 TYR B OH 1789 N N . LYS A 223 ? 1.7938 0.6945 1.1288 0.2304 -0.4382 -0.1610 241 LYS B N 1790 C CA . LYS A 223 ? 1.8285 0.6991 1.1334 0.2545 -0.4476 -0.1672 241 LYS B CA 1791 C C . LYS A 223 ? 1.8031 0.6740 1.1321 0.2378 -0.4566 -0.1501 241 LYS B C 1792 O O . LYS A 223 ? 1.8209 0.6492 1.1197 0.2386 -0.4771 -0.1472 241 LYS B O 1793 C CB . LYS A 223 ? 1.8052 0.7084 1.1085 0.3012 -0.4222 -0.1880 241 LYS B CB 1794 C CG . LYS A 223 ? 1.7865 0.6978 1.0690 0.3189 -0.4097 -0.2042 241 LYS B CG 1795 C CD . LYS A 223 ? 1.7216 0.7014 1.0394 0.3452 -0.3751 -0.2153 241 LYS B CD 1796 C CE . LYS A 223 ? 1.7308 0.7290 1.0451 0.3844 -0.3633 -0.2256 241 LYS B CE 1797 N NZ . LYS A 223 ? 1.8179 0.7794 1.0775 0.4118 -0.3708 -0.2394 241 LYS B NZ 1798 N N . ASN A 224 ? 1.7347 0.6521 1.1163 0.2225 -0.4421 -0.1382 242 ASN B N 1799 C CA . ASN A 224 ? 1.7482 0.6717 1.1562 0.2056 -0.4483 -0.1202 242 ASN B CA 1800 C C . ASN A 224 ? 1.6892 0.6079 1.1165 0.1574 -0.4640 -0.0950 242 ASN B C 1801 O O . ASN A 224 ? 1.6839 0.6229 1.1445 0.1392 -0.4636 -0.0769 242 ASN B O 1802 C CB . ASN A 224 ? 1.6461 0.6353 1.1018 0.2235 -0.4194 -0.1218 242 ASN B CB 1803 C CG . ASN A 224 ? 1.6865 0.6823 1.1255 0.2717 -0.4051 -0.1449 242 ASN B CG 1804 O OD1 . ASN A 224 ? 1.7600 0.7445 1.1878 0.2889 -0.4097 -0.1470 242 ASN B OD1 1805 N ND2 . ASN A 224 ? 1.6633 0.6924 1.1048 0.2903 -0.3846 -0.1598 242 ASN B ND2 1806 N N . PHE A 225 ? 1.7349 0.6308 1.1426 0.1364 -0.4773 -0.0925 243 PHE B N 1807 C CA . PHE A 225 ? 1.5820 0.4782 1.0083 0.0900 -0.4929 -0.0671 243 PHE B CA 1808 C C . PHE A 225 ? 1.7135 0.5694 1.1173 0.0702 -0.5206 -0.0522 243 PHE B C 1809 O O . PHE A 225 ? 1.7011 0.5680 1.1286 0.0326 -0.5311 -0.0277 243 PHE B O 1810 C CB . PHE A 225 ? 1.7140 0.6024 1.1273 0.0744 -0.4986 -0.0689 243 PHE B CB 1811 C CG . PHE A 225 ? 1.7162 0.6162 1.1542 0.0271 -0.5120 -0.0421 243 PHE B CG 1812 C CD1 . PHE A 225 ? 1.6337 0.6001 1.1300 0.0074 -0.4933 -0.0246 243 PHE B CD1 1813 C CD2 . PHE A 225 ? 1.7611 0.6229 1.1681 0.0032 -0.5394 -0.0326 243 PHE B CD2 1814 C CE1 . PHE A 225 ? 1.5992 0.5827 1.1200 -0.0345 -0.5042 0.0011 243 PHE B CE1 1815 C CE2 . PHE A 225 ? 1.7370 0.6174 1.1696 -0.0396 -0.5509 -0.0067 243 PHE B CE2 1816 C CZ . PHE A 225 ? 1.6476 0.5845 1.1364 -0.0586 -0.5343 0.0101 243 PHE B CZ 1817 N N . LYS A 226 ? 1.6996 0.5116 1.0586 0.0948 -0.5324 -0.0659 244 LYS B N 1818 C CA . LYS A 226 ? 1.8746 0.6463 1.2098 0.0790 -0.5588 -0.0534 244 LYS B CA 1819 C C . LYS A 226 ? 1.9214 0.7031 1.2705 0.0939 -0.5522 -0.0521 244 LYS B C 1820 O O . LYS A 226 ? 2.0007 0.7647 1.3471 0.0722 -0.5701 -0.0355 244 LYS B O 1821 C CB . LYS A 226 ? 1.9566 0.6655 1.2277 0.0938 -0.5812 -0.0670 244 LYS B CB 1822 C CG . LYS A 226 ? 1.9743 0.6598 1.2239 0.0690 -0.5991 -0.0610 244 LYS B CG 1823 C CD . LYS A 226 ? 2.0750 0.6924 1.2582 0.0812 -0.6256 -0.0708 244 LYS B CD 1824 C CE . LYS A 226 ? 2.1122 0.7052 1.2721 0.0578 -0.6444 -0.0646 244 LYS B CE 1825 N NZ . LYS A 226 ? 2.0550 0.6762 1.2258 0.0704 -0.6230 -0.0776 244 LYS B NZ 1826 N N . ASN A 227 ? 1.8973 0.7086 1.2613 0.1298 -0.5273 -0.0685 245 ASN B N 1827 C CA . ASN A 227 ? 1.9274 0.7515 1.3055 0.1462 -0.5200 -0.0679 245 ASN B CA 1828 C C . ASN A 227 ? 1.8452 0.7286 1.2660 0.1690 -0.4879 -0.0758 245 ASN B C 1829 O O . ASN A 227 ? 1.8523 0.7501 1.2676 0.1962 -0.4719 -0.0950 245 ASN B O 1830 C CB . ASN A 227 ? 2.0529 0.8316 1.3818 0.1773 -0.5320 -0.0844 245 ASN B CB 1831 C CG . ASN A 227 ? 2.1393 0.9135 1.4407 0.2150 -0.5207 -0.1099 245 ASN B CG 1832 O OD1 . ASN A 227 ? 2.1216 0.9317 1.4388 0.2485 -0.4971 -0.1241 245 ASN B OD1 1833 N ND2 . ASN A 227 ? 2.2315 0.9646 1.4921 0.2094 -0.5374 -0.1149 245 ASN B ND2 1834 N N . PHE A 228 ? 1.7491 0.6682 1.2116 0.1577 -0.4787 -0.0603 246 PHE B N 1835 C CA . PHE A 228 ? 1.6084 0.5852 1.1134 0.1773 -0.4502 -0.0649 246 PHE B CA 1836 C C . PHE A 228 ? 1.5656 0.5558 1.0855 0.1882 -0.4469 -0.0595 246 PHE B C 1837 O O . PHE A 228 ? 1.5596 0.5522 1.0970 0.1607 -0.4553 -0.0378 246 PHE B O 1838 C CB . PHE A 228 ? 1.4957 0.5356 1.0495 0.1450 -0.4337 -0.0483 246 PHE B CB 1839 C CG . PHE A 228 ? 1.4341 0.5576 1.0336 0.1602 -0.3981 -0.0546 246 PHE B CG 1840 C CD1 . PHE A 228 ? 1.4166 0.5601 1.0109 0.1865 -0.3811 -0.0753 246 PHE B CD1 1841 C CD2 . PHE A 228 ? 1.3807 0.5618 1.0267 0.1472 -0.3822 -0.0391 246 PHE B CD2 1842 C CE1 . PHE A 228 ? 1.3473 0.5665 0.9829 0.1978 -0.3500 -0.0797 246 PHE B CE1 1843 C CE2 . PHE A 228 ? 1.3289 0.5825 1.0141 0.1596 -0.3517 -0.0446 246 PHE B CE2 1844 C CZ . PHE A 228 ? 1.3187 0.5914 0.9993 0.1840 -0.3361 -0.0644 246 PHE B CZ 1845 N N . GLU A 229 ? 1.5468 0.5492 1.0606 0.2279 -0.4342 -0.0781 247 GLU B N 1846 C CA . GLU A 229 ? 1.5549 0.5680 1.0789 0.2412 -0.4322 -0.0750 247 GLU B CA 1847 C C . GLU A 229 ? 1.4882 0.5678 1.0677 0.2347 -0.4106 -0.0631 247 GLU B C 1848 O O . GLU A 229 ? 1.3537 0.4966 0.9655 0.2377 -0.3847 -0.0684 247 GLU B O 1849 C CB . GLU A 229 ? 1.6125 0.6237 1.1134 0.2851 -0.4250 -0.0980 247 GLU B CB 1850 C CG . GLU A 229 ? 1.6991 0.7165 1.2055 0.3001 -0.4254 -0.0958 247 GLU B CG 1851 C CD . GLU A 229 ? 1.8129 0.8230 1.2913 0.3415 -0.4219 -0.1169 247 GLU B CD 1852 O OE1 . GLU A 229 ? 1.8517 0.8454 1.3011 0.3574 -0.4216 -0.1325 247 GLU B OE1 1853 O OE2 . GLU A 229 ? 1.8432 0.8652 1.3285 0.3581 -0.4194 -0.1172 247 GLU B OE2 1854 N N . ILE A 230 ? 1.4775 0.5566 1.0698 0.2213 -0.4176 -0.0464 248 ILE B N 1855 C CA . ILE A 230 ? 1.4114 0.5635 1.0558 0.2098 -0.3954 -0.0335 248 ILE B CA 1856 C C . ILE A 230 ? 1.4855 0.6288 1.1280 0.2278 -0.4003 -0.0321 248 ILE B C 1857 O O . ILE A 230 ? 1.6112 0.7008 1.2264 0.2191 -0.4238 -0.0234 248 ILE B O 1858 C CB . ILE A 230 ? 1.3746 0.5437 1.0426 0.1651 -0.3980 -0.0084 248 ILE B CB 1859 C CG1 . ILE A 230 ? 1.3392 0.5280 1.0156 0.1485 -0.3901 -0.0095 248 ILE B CG1 1860 C CG2 . ILE A 230 ? 1.3021 0.5357 1.0158 0.1564 -0.3785 0.0050 248 ILE B CG2 1861 C CD1 . ILE A 230 ? 1.3060 0.5084 1.0023 0.1061 -0.3948 0.0151 248 ILE B CD1 1862 N N . THR A 231 ? 1.4107 0.6113 1.0828 0.2505 -0.3775 -0.0400 249 THR B N 1863 C CA . THR A 231 ? 1.4297 0.6297 1.1034 0.2703 -0.3800 -0.0398 249 THR B CA 1864 C C . THR A 231 ? 1.3591 0.6217 1.0791 0.2513 -0.3632 -0.0234 249 THR B C 1865 O O . THR A 231 ? 1.3176 0.6456 1.0733 0.2513 -0.3385 -0.0261 249 THR B O 1866 C CB . THR A 231 ? 1.4628 0.6767 1.1305 0.3151 -0.3696 -0.0623 249 THR B CB 1867 O OG1 . THR A 231 ? 1.5711 0.7350 1.1934 0.3295 -0.3820 -0.0776 249 THR B OG1 1868 C CG2 . THR A 231 ? 1.4615 0.6894 1.1381 0.3318 -0.3687 -0.0606 249 THR B CG2 1869 N N . ILE A 232 ? 1.3573 0.5978 1.0741 0.2357 -0.3771 -0.0064 250 ILE B N 1870 C CA . ILE A 232 ? 1.2683 0.5597 1.0227 0.2168 -0.3640 0.0107 250 ILE B CA 1871 C C . ILE A 232 ? 1.2540 0.5487 1.0099 0.2401 -0.3653 0.0084 250 ILE B C 1872 O O . ILE A 232 ? 1.3343 0.5737 1.0604 0.2453 -0.3876 0.0121 250 ILE B O 1873 C CB . ILE A 232 ? 1.2862 0.5565 1.0383 0.1777 -0.3775 0.0349 250 ILE B CB 1874 C CG1 . ILE A 232 ? 1.2776 0.5498 1.0313 0.1546 -0.3761 0.0379 250 ILE B CG1 1875 C CG2 . ILE A 232 ? 1.1607 0.4815 0.9475 0.1620 -0.3639 0.0520 250 ILE B CG2 1876 C CD1 . ILE A 232 ? 1.3181 0.5630 1.0645 0.1175 -0.3933 0.0614 250 ILE B CD1 1877 N N . LYS A 233 ? 1.2054 0.5634 0.9950 0.2532 -0.3429 0.0030 251 LYS B N 1878 C CA . LYS A 233 ? 1.2006 0.5717 0.9972 0.2744 -0.3422 0.0015 251 LYS B CA 1879 C C . LYS A 233 ? 1.1506 0.5670 0.9795 0.2528 -0.3309 0.0188 251 LYS B C 1880 O O . LYS A 233 ? 1.0606 0.5125 0.9123 0.2284 -0.3173 0.0276 251 LYS B O 1881 C CB . LYS A 233 ? 1.2187 0.6265 1.0265 0.3096 -0.3272 -0.0187 251 LYS B CB 1882 C CG . LYS A 233 ? 1.3781 0.7390 1.1495 0.3383 -0.3389 -0.0369 251 LYS B CG 1883 C CD . LYS A 233 ? 1.4226 0.8275 1.2076 0.3735 -0.3221 -0.0552 251 LYS B CD 1884 C CE . LYS A 233 ? 1.3945 0.8625 1.2125 0.3624 -0.2971 -0.0580 251 LYS B CE 1885 N NZ . LYS A 233 ? 1.4020 0.9114 1.2307 0.3952 -0.2816 -0.0751 251 LYS B NZ 1886 N N . ALA A 234 ? 1.1585 0.5715 0.9870 0.2631 -0.3372 0.0236 252 ALA B N 1887 C CA . ALA A 234 ? 1.0762 0.5265 0.9300 0.2453 -0.3284 0.0397 252 ALA B CA 1888 C C . ALA A 234 ? 1.1637 0.6195 1.0189 0.2689 -0.3319 0.0368 252 ALA B C 1889 O O . ALA A 234 ? 1.2184 0.6253 1.0454 0.2864 -0.3510 0.0332 252 ALA B O 1890 C CB . ALA A 234 ? 1.0942 0.5134 0.9364 0.2126 -0.3412 0.0616 252 ALA B CB 1891 N N . ARG A 235 ? 1.1011 0.6143 0.9876 0.2692 -0.3149 0.0388 253 ARG B N 1892 C CA . ARG A 235 ? 1.1574 0.6823 1.0487 0.2908 -0.3178 0.0365 253 ARG B CA 1893 C C . ARG A 235 ? 1.1184 0.6868 1.0349 0.2740 -0.3063 0.0496 253 ARG B C 1894 O O . ARG A 235 ? 1.0589 0.6643 0.9959 0.2546 -0.2901 0.0540 253 ARG B O 1895 C CB . ARG A 235 ? 1.1892 0.7434 1.0910 0.3237 -0.3090 0.0169 253 ARG B CB 1896 C CG . ARG A 235 ? 1.1932 0.8114 1.1281 0.3186 -0.2850 0.0111 253 ARG B CG 1897 C CD . ARG A 235 ? 1.2215 0.8659 1.1638 0.3497 -0.2770 -0.0074 253 ARG B CD 1898 N NE . ARG A 235 ? 1.1870 0.8475 1.1358 0.3761 -0.2809 -0.0112 253 ARG B NE 1899 C CZ . ARG A 235 ? 1.1890 0.8174 1.1161 0.4064 -0.2943 -0.0204 253 ARG B CZ 1900 N NH1 . ARG A 235 ? 1.2799 0.8584 1.1751 0.4097 -0.3029 -0.0275 253 ARG B NH1 1901 N NH2 . ARG A 235 ? 1.1419 0.7963 1.0790 0.4233 -0.2926 -0.0225 253 ARG B NH2 1902 N N . TYR A 236 ? 1.1436 0.7047 1.0559 0.2824 -0.3157 0.0556 254 TYR B N 1903 C CA . TYR A 236 ? 1.0998 0.6985 1.0318 0.2696 -0.3066 0.0671 254 TYR B CA 1904 C C . TYR A 236 ? 1.0767 0.7361 1.0389 0.2817 -0.2888 0.0563 254 TYR B C 1905 O O . TYR A 236 ? 1.0731 0.7447 1.0404 0.3063 -0.2870 0.0413 254 TYR B O 1906 C CB . TYR A 236 ? 1.0634 0.6355 0.9805 0.2762 -0.3229 0.0763 254 TYR B CB 1907 C CG . TYR A 236 ? 1.1084 0.6182 0.9937 0.2637 -0.3429 0.0886 254 TYR B CG 1908 C CD1 . TYR A 236 ? 1.0549 0.5586 0.9373 0.2322 -0.3422 0.1076 254 TYR B CD1 1909 C CD2 . TYR A 236 ? 1.1774 0.6359 1.0350 0.2829 -0.3621 0.0819 254 TYR B CD2 1910 C CE1 . TYR A 236 ? 1.1035 0.5522 0.9577 0.2183 -0.3613 0.1210 254 TYR B CE1 1911 C CE2 . TYR A 236 ? 1.2526 0.6585 1.0810 0.2660 -0.3777 0.0923 254 TYR B CE2 1912 C CZ . TYR A 236 ? 1.2678 0.6654 1.0944 0.2349 -0.3802 0.1133 254 TYR B CZ 1913 O OH . TYR A 236 ? 1.4002 0.7489 1.1990 0.2161 -0.3958 0.1246 254 TYR B OH 1914 N N . PHE A 237 ? 1.0414 0.7387 1.0225 0.2643 -0.2761 0.0649 255 PHE B N 1915 C CA . PHE A 237 ? 1.0159 0.7694 1.0246 0.2707 -0.2603 0.0569 255 PHE B CA 1916 C C . PHE A 237 ? 1.0960 0.8666 1.1122 0.2923 -0.2660 0.0532 255 PHE B C 1917 O O . PHE A 237 ? 1.1113 0.9292 1.1507 0.2980 -0.2551 0.0472 255 PHE B O 1918 C CB . PHE A 237 ? 0.9212 0.7041 0.9431 0.2459 -0.2466 0.0670 255 PHE B CB 1919 C CG . PHE A 237 ? 0.9206 0.7057 0.9448 0.2286 -0.2361 0.0672 255 PHE B CG 1920 C CD1 . PHE A 237 ? 0.9502 0.7595 0.9876 0.2351 -0.2251 0.0540 255 PHE B CD1 1921 C CD2 . PHE A 237 ? 0.9410 0.7057 0.9545 0.2060 -0.2374 0.0813 255 PHE B CD2 1922 C CE1 . PHE A 237 ? 0.9622 0.7729 1.0012 0.2195 -0.2163 0.0542 255 PHE B CE1 1923 C CE2 . PHE A 237 ? 0.9690 0.7379 0.9860 0.1906 -0.2284 0.0821 255 PHE B CE2 1924 C CZ . PHE A 237 ? 0.9799 0.7705 1.0091 0.1975 -0.2182 0.0681 255 PHE B CZ 1925 N N . TYR A 238 ? 1.1558 0.8898 1.1531 0.3038 -0.2835 0.0573 256 TYR B N 1926 C CA . TYR A 238 ? 1.1705 0.9176 1.1736 0.3298 -0.2908 0.0515 256 TYR B CA 1927 C C . TYR A 238 ? 1.2174 0.9480 1.2119 0.3590 -0.2975 0.0370 256 TYR B C 1928 O O . TYR A 238 ? 1.2461 0.9630 1.2319 0.3809 -0.3095 0.0344 256 TYR B O 1929 C CB . TYR A 238 ? 1.1835 0.9041 1.1715 0.3281 -0.3060 0.0641 256 TYR B CB 1930 C CG . TYR A 238 ? 1.1907 0.8505 1.1477 0.3168 -0.3206 0.0744 256 TYR B CG 1931 C CD1 . TYR A 238 ? 1.1857 0.7987 1.1186 0.3349 -0.3372 0.0696 256 TYR B CD1 1932 C CD2 . TYR A 238 ? 1.1689 0.8195 1.1198 0.2871 -0.3173 0.0896 256 TYR B CD2 1933 C CE1 . TYR A 238 ? 1.2250 0.7834 1.1287 0.3199 -0.3500 0.0796 256 TYR B CE1 1934 C CE2 . TYR A 238 ? 1.2091 0.8074 1.1330 0.2745 -0.3313 0.1013 256 TYR B CE2 1935 C CZ . TYR A 238 ? 1.2602 0.8087 1.1598 0.2916 -0.3503 0.0969 256 TYR B CZ 1936 O OH . TYR A 238 ? 1.3192 0.8164 1.1912 0.2750 -0.3637 0.1088 256 TYR B OH 1937 N N . ASN A 239 ? 1.1981 0.9296 1.1929 0.3590 -0.2888 0.0274 257 ASN B N 1938 C CA . ASN A 239 ? 1.1761 0.9036 1.1657 0.3884 -0.2904 0.0116 257 ASN B CA 1939 C C . ASN A 239 ? 1.2357 0.9032 1.1907 0.4000 -0.3072 0.0097 257 ASN B C 1940 O O . ASN A 239 ? 1.2475 0.9170 1.1970 0.4236 -0.3077 -0.0010 257 ASN B O 1941 C CB . ASN A 239 ? 1.1377 0.9220 1.1544 0.4107 -0.2823 0.0040 257 ASN B CB 1942 C CG . ASN A 239 ? 1.1177 0.9253 1.1409 0.4289 -0.2707 -0.0113 257 ASN B CG 1943 O OD1 . ASN A 239 ? 1.0461 0.8391 1.0613 0.4228 -0.2662 -0.0163 257 ASN B OD1 1944 N ND2 . ASN A 239 ? 1.1291 0.9746 1.1667 0.4497 -0.2649 -0.0181 257 ASN B ND2 1945 N N . LYS A 240 ? 1.2551 0.8715 1.1863 0.3802 -0.3195 0.0206 258 LYS B N 1946 C CA . LYS A 240 ? 1.3017 0.8579 1.1971 0.3835 -0.3352 0.0198 258 LYS B CA 1947 C C . LYS A 240 ? 1.2934 0.8058 1.1678 0.3651 -0.3413 0.0227 258 LYS B C 1948 O O . LYS A 240 ? 1.2415 0.7609 1.1261 0.3421 -0.3379 0.0338 258 LYS B O 1949 C CB . LYS A 240 ? 1.3399 0.8733 1.2237 0.3744 -0.3477 0.0335 258 LYS B CB 1950 C CG . LYS A 240 ? 1.3149 0.8824 1.2139 0.3932 -0.3455 0.0311 258 LYS B CG 1951 C CD . LYS A 240 ? 1.3465 0.9013 1.2313 0.4218 -0.3496 0.0166 258 LYS B CD 1952 C CE . LYS A 240 ? 1.3628 0.9457 1.2603 0.4378 -0.3505 0.0173 258 LYS B CE 1953 N NZ . LYS A 240 ? 1.4025 0.9574 1.2869 0.4231 -0.3635 0.0324 258 LYS B NZ 1954 N N . VAL A 241 ? 1.3413 0.8091 1.1858 0.3750 -0.3508 0.0131 259 VAL B N 1955 C CA . VAL A 241 ? 1.3803 0.8036 1.2023 0.3575 -0.3587 0.0152 259 VAL B CA 1956 C C . VAL A 241 ? 1.4147 0.7959 1.2185 0.3294 -0.3741 0.0344 259 VAL B C 1957 O O . VAL A 241 ? 1.4130 0.7758 1.2045 0.3315 -0.3840 0.0398 259 VAL B O 1958 C CB . VAL A 241 ? 1.4166 0.8046 1.2091 0.3778 -0.3650 -0.0022 259 VAL B CB 1959 C CG1 . VAL A 241 ? 1.3811 0.8139 1.1922 0.4010 -0.3475 -0.0191 259 VAL B CG1 1960 C CG2 . VAL A 241 ? 1.4519 0.8113 1.2215 0.3949 -0.3773 -0.0059 259 VAL B CG2 1961 N N . VAL A 242 ? 1.4921 0.8605 1.2950 0.3023 -0.3757 0.0457 260 VAL B N 1962 C CA . VAL A 242 ? 1.2316 0.5615 1.0166 0.2729 -0.3899 0.0653 260 VAL B CA 1963 C C . VAL A 242 ? 1.3987 0.6671 1.1439 0.2757 -0.4088 0.0597 260 VAL B C 1964 O O . VAL A 242 ? 1.4547 0.6989 1.1825 0.2830 -0.4125 0.0468 260 VAL B O 1965 C CB . VAL A 242 ? 1.2028 0.5385 0.9980 0.2433 -0.3863 0.0791 260 VAL B CB 1966 C CG1 . VAL A 242 ? 1.2366 0.5333 1.0120 0.2119 -0.4013 0.0996 260 VAL B CG1 1967 C CG2 . VAL A 242 ? 1.1340 0.5371 0.9675 0.2356 -0.3640 0.0843 260 VAL B CG2 1968 N N . THR A 243 ? 1.4202 0.6620 1.1489 0.2699 -0.4216 0.0693 261 THR B N 1969 C CA . THR A 243 ? 1.4099 0.5935 1.0994 0.2760 -0.4407 0.0627 261 THR B CA 1970 C C . THR A 243 ? 1.4440 0.5818 1.1094 0.2469 -0.4552 0.0719 261 THR B C 1971 O O . THR A 243 ? 1.5835 0.6864 1.2238 0.2542 -0.4639 0.0589 261 THR B O 1972 C CB . THR A 243 ? 1.5240 0.6942 1.2037 0.2781 -0.4503 0.0706 261 THR B CB 1973 O OG1 . THR A 243 ? 1.4034 0.6203 1.1081 0.3031 -0.4371 0.0633 261 THR B OG1 1974 C CG2 . THR A 243 ? 1.5148 0.6247 1.1527 0.2882 -0.4707 0.0617 261 THR B CG2 1975 N N . GLU A 244 ? 1.4326 0.5711 1.1045 0.2135 -0.4583 0.0948 262 GLU B N 1976 C CA . GLU A 244 ? 1.5168 0.6184 1.1698 0.1816 -0.4722 0.1071 262 GLU B CA 1977 C C . GLU A 244 ? 1.5304 0.6697 1.2124 0.1529 -0.4603 0.1262 262 GLU B C 1978 O O . GLU A 244 ? 1.5139 0.6919 1.2201 0.1477 -0.4489 0.1386 262 GLU B O 1979 C CB . GLU A 244 ? 1.5218 0.5781 1.1461 0.1656 -0.4928 0.1192 262 GLU B CB 1980 C CG . GLU A 244 ? 1.7703 0.7836 1.3615 0.1926 -0.5071 0.1015 262 GLU B CG 1981 C CD . GLU A 244 ? 1.8015 0.7711 1.3652 0.1762 -0.5278 0.1142 262 GLU B CD 1982 O OE1 . GLU A 244 ? 1.7580 0.7384 1.3324 0.1459 -0.5283 0.1371 262 GLU B OE1 1983 O OE2 . GLU A 244 ? 1.8494 0.7747 1.3800 0.1938 -0.5435 0.1016 262 GLU B OE2 1984 N N . ALA A 245 ? 1.5411 0.6693 1.2195 0.1348 -0.4634 0.1285 263 ALA B N 1985 C CA . ALA A 245 ? 1.3653 0.5279 1.0696 0.1062 -0.4533 0.1476 263 ALA B CA 1986 C C . ALA A 245 ? 1.3944 0.5265 1.0827 0.0805 -0.4660 0.1533 263 ALA B C 1987 O O . ALA A 245 ? 1.5184 0.6045 1.1760 0.0880 -0.4812 0.1396 263 ALA B O 1988 C CB . ALA A 245 ? 1.2994 0.5144 1.0368 0.1224 -0.4313 0.1395 263 ALA B CB 1989 N N . ASP A 246 ? 1.3624 0.5223 1.0714 0.0501 -0.4599 0.1741 264 ASP B N 1990 C CA . ASP A 246 ? 1.4752 0.6174 1.1760 0.0218 -0.4702 0.1828 264 ASP B CA 1991 C C . ASP A 246 ? 1.3870 0.5615 1.1107 0.0249 -0.4550 0.1770 264 ASP B C 1992 O O . ASP A 246 ? 1.2751 0.4997 1.0308 0.0239 -0.4365 0.1856 264 ASP B O 1993 C CB . ASP A 246 ? 1.5473 0.7013 1.2557 -0.0168 -0.4746 0.2126 264 ASP B CB 1994 C CG . ASP A 246 ? 1.6803 0.7845 1.3574 -0.0392 -0.4998 0.2185 264 ASP B CG 1995 O OD1 . ASP A 246 ? 1.7553 0.8102 1.4002 -0.0219 -0.5152 0.1992 264 ASP B OD1 1996 O OD2 . ASP A 246 ? 1.7183 0.8344 1.4028 -0.0738 -0.5045 0.2426 264 ASP B OD2 1997 N N . VAL A 247 ? 1.3912 0.5363 1.0970 0.0294 -0.4634 0.1622 265 VAL B N 1998 C CA . VAL A 247 ? 1.3377 0.5072 1.0609 0.0345 -0.4507 0.1541 265 VAL B CA 1999 C C . VAL A 247 ? 1.3419 0.5048 1.0640 -0.0009 -0.4597 0.1693 265 VAL B C 2000 O O . VAL A 247 ? 1.4189 0.5359 1.1108 -0.0129 -0.4804 0.1680 265 VAL B O 2001 C CB . VAL A 247 ? 1.4120 0.5584 1.1165 0.0699 -0.4509 0.1238 265 VAL B CB 2002 C CG1 . VAL A 247 ? 1.3593 0.5493 1.0893 0.0774 -0.4302 0.1133 265 VAL B CG1 2003 C CG2 . VAL A 247 ? 1.4616 0.6085 1.1616 0.1028 -0.4468 0.1098 265 VAL B CG2 2004 N N . TYR A 248 ? 1.2735 0.4865 1.0291 -0.0173 -0.4437 0.1830 266 TYR B N 2005 C CA . TYR A 248 ? 1.2740 0.4910 1.0351 -0.0496 -0.4495 0.1983 266 TYR B CA 2006 C C . TYR A 248 ? 1.3578 0.6173 1.1407 -0.0407 -0.4284 0.1822 266 TYR B C 2007 O O . TYR A 248 ? 1.3130 0.6326 1.1273 -0.0282 -0.4012 0.1755 266 TYR B O 2008 C CB . TYR A 248 ? 1.2503 0.5069 1.0360 -0.0818 -0.4443 0.2296 266 TYR B CB 2009 C CG . TYR A 248 ? 1.3322 0.5638 1.0998 -0.0961 -0.4598 0.2419 266 TYR B CG 2010 C CD1 . TYR A 248 ? 1.3476 0.5459 1.0941 -0.1221 -0.4819 0.2502 266 TYR B CD1 2011 C CD2 . TYR A 248 ? 1.2881 0.5296 1.0590 -0.0838 -0.4534 0.2449 266 TYR B CD2 2012 C CE1 . TYR A 248 ? 1.3911 0.5665 1.1205 -0.1357 -0.4969 0.2615 266 TYR B CE1 2013 C CE2 . TYR A 248 ? 1.4159 0.6339 1.1694 -0.0969 -0.4677 0.2561 266 TYR B CE2 2014 C CZ . TYR A 248 ? 1.5143 0.6992 1.2473 -0.1229 -0.4894 0.2644 266 TYR B CZ 2015 O OH . TYR A 248 ? 1.6052 0.7663 1.3204 -0.1366 -0.5046 0.2759 266 TYR B OH 2016 N N . ILE A 249 ? 1.3583 0.5842 1.1225 -0.0478 -0.4421 0.1761 267 ILE B N 2017 C CA . ILE A 249 ? 1.3127 0.5684 1.0906 -0.0379 -0.4255 0.1590 267 ILE B CA 2018 C C . ILE A 249 ? 1.3484 0.6117 1.1341 -0.0715 -0.4323 0.1759 267 ILE B C 2019 O O . ILE A 249 ? 1.4364 0.6452 1.1939 -0.0910 -0.4600 0.1857 267 ILE B O 2020 C CB . ILE A 249 ? 1.3567 0.5644 1.1013 -0.0076 -0.4343 0.1306 267 ILE B CB 2021 C CG1 . ILE A 249 ? 1.4261 0.6123 1.1556 0.0226 -0.4362 0.1185 267 ILE B CG1 2022 C CG2 . ILE A 249 ? 1.2980 0.5491 1.0618 0.0078 -0.4109 0.1118 267 ILE B CG2 2023 C CD1 . ILE A 249 ? 1.5107 0.6243 1.1935 0.0452 -0.4580 0.0997 267 ILE B CD1 2024 N N . THR A 250 ? 1.2847 0.6143 1.1077 -0.0783 -0.4081 0.1796 268 THR B N 2025 C CA . THR A 250 ? 1.2797 0.6268 1.1152 -0.1063 -0.4106 0.1937 268 THR B CA 2026 C C . THR A 250 ? 1.2490 0.6156 1.0910 -0.0908 -0.3960 0.1721 268 THR B C 2027 O O . THR A 250 ? 1.1794 0.5794 1.0358 -0.0649 -0.3732 0.1543 268 THR B O 2028 C CB . THR A 250 ? 1.2260 0.6368 1.1000 -0.1289 -0.3952 0.2197 268 THR B CB 2029 O OG1 . THR A 250 ? 1.1707 0.6369 1.0719 -0.1079 -0.3655 0.2101 268 THR B OG1 2030 C CG2 . THR A 250 ? 1.2363 0.6267 1.1021 -0.1494 -0.4120 0.2446 268 THR B CG2 2031 N N . PHE A 251 ? 1.2967 0.6417 1.1272 -0.1076 -0.4101 0.1744 269 PHE B N 2032 C CA . PHE A 251 ? 1.3718 0.7269 1.2026 -0.0949 -0.3999 0.1548 269 PHE B CA 2033 C C . PHE A 251 ? 1.4151 0.8167 1.2752 -0.1205 -0.3921 0.1709 269 PHE B C 2034 O O . PHE A 251 ? 1.5218 0.9238 1.3879 -0.1515 -0.4059 0.1963 269 PHE B O 2035 C CB . PHE A 251 ? 1.4478 0.7290 1.2323 -0.0870 -0.4247 0.1386 269 PHE B CB 2036 C CG . PHE A 251 ? 1.4692 0.7029 1.2223 -0.0578 -0.4326 0.1209 269 PHE B CG 2037 C CD1 . PHE A 251 ? 1.4779 0.6574 1.2040 -0.0663 -0.4578 0.1318 269 PHE B CD1 2038 C CD2 . PHE A 251 ? 1.4412 0.6857 1.1918 -0.0218 -0.4152 0.0942 269 PHE B CD2 2039 C CE1 . PHE A 251 ? 1.4845 0.6199 1.1811 -0.0376 -0.4656 0.1155 269 PHE B CE1 2040 C CE2 . PHE A 251 ? 1.4483 0.6532 1.1716 0.0068 -0.4222 0.0786 269 PHE B CE2 2041 C CZ . PHE A 251 ? 1.4701 0.6194 1.1659 -0.0002 -0.4475 0.0888 269 PHE B CZ 2042 N N . GLY A 252 ? 1.3615 0.8039 1.2400 -0.1072 -0.3701 0.1569 270 GLY B N 2043 C CA . GLY A 252 ? 1.3590 0.8458 1.2643 -0.1272 -0.3616 0.1696 270 GLY B CA 2044 C C . GLY A 252 ? 1.3529 0.8431 1.2535 -0.1136 -0.3531 0.1487 270 GLY B C 2045 O O . GLY A 252 ? 1.3540 0.8262 1.2375 -0.0860 -0.3473 0.1242 270 GLY B O 2046 N N . ILE A 253 ? 1.3283 0.8439 1.2447 -0.1333 -0.3526 0.1597 271 ILE B N 2047 C CA . ILE A 253 ? 1.2610 0.7876 1.1772 -0.1244 -0.3433 0.1436 271 ILE B CA 2048 C C . ILE A 253 ? 1.1932 0.7919 1.1498 -0.1225 -0.3150 0.1484 271 ILE B C 2049 O O . ILE A 253 ? 1.1639 0.8007 1.1473 -0.1410 -0.3108 0.1713 271 ILE B O 2050 C CB . ILE A 253 ? 1.2597 0.7548 1.1590 -0.1476 -0.3668 0.1513 271 ILE B CB 2051 C CG1 . ILE A 253 ? 1.2417 0.6576 1.0948 -0.1474 -0.3964 0.1444 271 ILE B CG1 2052 C CG2 . ILE A 253 ? 1.2757 0.7874 1.1771 -0.1393 -0.3557 0.1364 271 ILE B CG2 2053 C CD1 . ILE A 253 ? 1.1949 0.5764 1.0179 -0.1128 -0.3921 0.1136 271 ILE B CD1 2054 N N . ARG A 254 ? 1.2103 0.8274 1.1698 -0.0997 -0.2959 0.1274 272 ARG B N 2055 C CA . ARG A 254 ? 1.2241 0.9031 1.2168 -0.0936 -0.2690 0.1283 272 ARG B CA 2056 C C . ARG A 254 ? 1.2820 0.9736 1.2755 -0.0899 -0.2612 0.1167 272 ARG B C 2057 O O . ARG A 254 ? 1.3382 0.9968 1.3062 -0.0771 -0.2666 0.0975 272 ARG B O 2058 C CB . ARG A 254 ? 1.1985 0.8919 1.1959 -0.0689 -0.2515 0.1151 272 ARG B CB 2059 C CG . ARG A 254 ? 1.1393 0.8915 1.1693 -0.0663 -0.2275 0.1218 272 ARG B CG 2060 C CD . ARG A 254 ? 1.1139 0.8730 1.1457 -0.0460 -0.2161 0.1121 272 ARG B CD 2061 N NE . ARG A 254 ? 1.0737 0.8839 1.1320 -0.0424 -0.1943 0.1171 272 ARG B NE 2062 C CZ . ARG A 254 ? 1.0692 0.8935 1.1329 -0.0269 -0.1825 0.1108 272 ARG B CZ 2063 N NH1 . ARG A 254 ? 1.0847 0.8795 1.1319 -0.0131 -0.1897 0.0998 272 ARG B NH1 2064 N NH2 . ARG A 254 ? 1.0467 0.9136 1.1311 -0.0247 -0.1645 0.1155 272 ARG B NH2 2065 N N . GLU A 255 ? 1.3085 1.0479 1.3300 -0.1001 -0.2485 0.1285 273 GLU B N 2066 C CA . GLU A 255 ? 1.3558 1.1092 1.3793 -0.0982 -0.2414 0.1197 273 GLU B CA 2067 C C . GLU A 255 ? 1.3883 1.1579 1.4124 -0.0730 -0.2204 0.0980 273 GLU B C 2068 O O . GLU A 255 ? 1.3738 1.1220 1.3780 -0.0616 -0.2214 0.0799 273 GLU B O 2069 C CB . GLU A 255 ? 1.3123 1.1119 1.3653 -0.1154 -0.2348 0.1398 273 GLU B CB 2070 C CG . GLU A 255 ? 1.3652 1.1523 1.4178 -0.1428 -0.2569 0.1607 273 GLU B CG 2071 C CD . GLU A 255 ? 1.4123 1.1637 1.4415 -0.1493 -0.2736 0.1521 273 GLU B CD 2072 O OE1 . GLU A 255 ? 1.4015 1.1478 1.4194 -0.1327 -0.2644 0.1315 273 GLU B OE1 2073 O OE2 . GLU A 255 ? 1.4439 1.1720 1.4650 -0.1718 -0.2966 0.1667 273 GLU B OE2 2074 N N . ASP A 256 ? 1.4354 1.2436 1.4815 -0.0646 -0.2014 0.1005 274 ASP B N 2075 C CA . ASP A 256 ? 1.4770 1.3027 1.5254 -0.0430 -0.1825 0.0825 274 ASP B CA 2076 C C . ASP A 256 ? 1.3638 1.2058 1.4237 -0.0340 -0.1729 0.0853 274 ASP B C 2077 O O . ASP A 256 ? 1.3457 1.1971 1.4170 -0.0451 -0.1759 0.1028 274 ASP B O 2078 C CB . ASP A 256 ? 1.5650 1.4279 1.6294 -0.0434 -0.1668 0.0816 274 ASP B CB 2079 C CG . ASP A 256 ? 1.6084 1.5094 1.6987 -0.0559 -0.1598 0.1018 274 ASP B CG 2080 O OD1 . ASP A 256 ? 1.6771 1.5744 1.7723 -0.0709 -0.1712 0.1195 274 ASP B OD1 2081 O OD2 . ASP A 256 ? 1.5781 1.5126 1.6826 -0.0502 -0.1432 0.1004 274 ASP B OD2 2082 N N . LEU A 257 ? 1.3128 1.1595 1.3695 -0.0141 -0.1614 0.0685 275 LEU B N 2083 C CA . LEU A 257 ? 1.2580 1.1171 1.3229 -0.0042 -0.1537 0.0691 275 LEU B CA 2084 C C . LEU A 257 ? 1.2873 1.1901 1.3759 -0.0068 -0.1371 0.0786 275 LEU B C 2085 O O . LEU A 257 ? 1.2903 1.2033 1.3863 -0.0038 -0.1331 0.0847 275 LEU B O 2086 C CB . LEU A 257 ? 1.1548 1.0067 1.2093 0.0178 -0.1480 0.0488 275 LEU B CB 2087 C CG . LEU A 257 ? 1.1439 0.9510 1.1711 0.0257 -0.1634 0.0372 275 LEU B CG 2088 C CD1 . LEU A 257 ? 1.1422 0.9501 1.1621 0.0498 -0.1556 0.0185 275 LEU B CD1 2089 C CD2 . LEU A 257 ? 1.1334 0.9060 1.1492 0.0169 -0.1823 0.0484 275 LEU B CD2 2090 N N . LYS A 258 ? 1.3348 1.2615 1.4333 -0.0115 -0.1280 0.0798 276 LYS B N 2091 C CA . LYS A 258 ? 1.3781 1.3423 1.4953 -0.0127 -0.1133 0.0888 276 LYS B CA 2092 C C . LYS A 258 ? 1.4141 1.3885 1.5420 -0.0265 -0.1178 0.1106 276 LYS B C 2093 O O . LYS A 258 ? 1.3935 1.3878 1.5309 -0.0236 -0.1093 0.1184 276 LYS B O 2094 C CB . LYS A 258 ? 1.4199 1.4033 1.5423 -0.0135 -0.1041 0.0847 276 LYS B CB 2095 C CG . LYS A 258 ? 1.4632 1.4533 1.5816 0.0006 -0.0927 0.0669 276 LYS B CG 2096 C CD . LYS A 258 ? 1.4766 1.4886 1.6041 0.0089 -0.0804 0.0673 276 LYS B CD 2097 C CE . LYS A 258 ? 1.4738 1.4967 1.5995 0.0194 -0.0697 0.0525 276 LYS B CE 2098 N NZ . LYS A 258 ? 1.4513 1.4937 1.5842 0.0254 -0.0595 0.0537 276 LYS B NZ 2099 N N . ASP A 259 ? 1.4713 1.4331 1.5974 -0.0420 -0.1314 0.1214 277 ASP B N 2100 C CA . ASP A 259 ? 1.5091 1.4838 1.6467 -0.0573 -0.1366 0.1444 277 ASP B CA 2101 C C . ASP A 259 ? 1.5209 1.4708 1.6496 -0.0601 -0.1483 0.1501 277 ASP B C 2102 O O . ASP A 259 ? 1.5572 1.4682 1.6675 -0.0597 -0.1627 0.1415 277 ASP B O 2103 C CB . ASP A 259 ? 1.5891 1.5617 1.7292 -0.0750 -0.1482 0.1553 277 ASP B CB 2104 C CG . ASP A 259 ? 1.6494 1.6423 1.8046 -0.0922 -0.1532 0.1816 277 ASP B CG 2105 O OD1 . ASP A 259 ? 1.6720 1.6921 1.8392 -0.0881 -0.1416 0.1913 277 ASP B OD1 2106 O OD2 . ASP A 259 ? 1.6930 1.6757 1.8476 -0.1102 -0.1688 0.1933 277 ASP B OD2 2107 N N . ASP A 260 ? 1.4886 1.4597 1.6283 -0.0622 -0.1424 0.1648 278 ASP B N 2108 C CA . ASP A 260 ? 1.4928 1.4433 1.6248 -0.0653 -0.1526 0.1723 278 ASP B CA 2109 C C . ASP A 260 ? 1.4430 1.3783 1.5732 -0.0877 -0.1714 0.1919 278 ASP B C 2110 O O . ASP A 260 ? 1.4702 1.3950 1.5969 -0.0944 -0.1794 0.2042 278 ASP B O 2111 C CB . ASP A 260 ? 1.5240 1.5030 1.6663 -0.0585 -0.1386 0.1803 278 ASP B CB 2112 C CG . ASP A 260 ? 1.5438 1.5339 1.6857 -0.0381 -0.1229 0.1618 278 ASP B CG 2113 O OD1 . ASP A 260 ? 1.5525 1.5229 1.6843 -0.0281 -0.1248 0.1426 278 ASP B OD1 2114 O OD2 . ASP A 260 ? 1.5592 1.5776 1.7099 -0.0322 -0.1091 0.1670 278 ASP B OD2 2115 N N . GLN A 261 ? 1.3779 1.3112 1.5097 -0.1006 -0.1795 0.1959 279 GLN B N 2116 C CA . GLN A 261 ? 1.3812 1.2988 1.5106 -0.1243 -0.1997 0.2150 279 GLN B CA 2117 C C . GLN A 261 ? 1.3883 1.2471 1.4894 -0.1258 -0.2212 0.2032 279 GLN B C 2118 O O . GLN A 261 ? 1.3975 1.2343 1.4837 -0.1108 -0.2202 0.1805 279 GLN B O 2119 C CB . GLN A 261 ? 1.4081 1.3528 1.5530 -0.1382 -0.1997 0.2264 279 GLN B CB 2120 C CG . GLN A 261 ? 1.4936 1.4254 1.6380 -0.1656 -0.2219 0.2477 279 GLN B CG 2121 C CD . GLN A 261 ? 1.5452 1.4920 1.6995 -0.1793 -0.2254 0.2727 279 GLN B CD 2122 O OE1 . GLN A 261 ? 1.5707 1.4839 1.7088 -0.1803 -0.2362 0.2725 279 GLN B OE1 2123 N NE2 . GLN A 261 ? 1.5496 1.5480 1.7301 -0.1891 -0.2160 0.2948 279 GLN B NE2 2124 N N . LYS A 262 ? 1.4013 1.2340 1.4933 -0.1436 -0.2411 0.2192 280 LYS B N 2125 C CA . LYS A 262 ? 1.4141 1.1851 1.4749 -0.1452 -0.2641 0.2096 280 LYS B CA 2126 C C . LYS A 262 ? 1.4232 1.1744 1.4792 -0.1745 -0.2881 0.2340 280 LYS B C 2127 O O . LYS A 262 ? 1.4216 1.2053 1.4974 -0.1901 -0.2856 0.2584 280 LYS B O 2128 C CB . LYS A 262 ? 1.4138 1.1589 1.4586 -0.1250 -0.2626 0.1953 280 LYS B CB 2129 C CG . LYS A 262 ? 1.4072 1.1765 1.4658 -0.1271 -0.2550 0.2114 280 LYS B CG 2130 C CD . LYS A 262 ? 1.4229 1.1722 1.4682 -0.1044 -0.2511 0.1953 280 LYS B CD 2131 C CE . LYS A 262 ? 1.4213 1.1915 1.4773 -0.1073 -0.2451 0.2116 280 LYS B CE 2132 N NZ . LYS A 262 ? 1.3798 1.2099 1.4639 -0.1062 -0.2217 0.2201 280 LYS B NZ 2133 N N . GLU A 263 ? 1.4468 1.1439 1.4749 -0.1822 -0.3119 0.2277 281 GLU B N 2134 C CA . GLU A 263 ? 1.5057 1.1736 1.5234 -0.2117 -0.3393 0.2496 281 GLU B CA 2135 C C . GLU A 263 ? 1.5479 1.1541 1.5325 -0.2075 -0.3585 0.2438 281 GLU B C 2136 O O . GLU A 263 ? 1.5936 1.1485 1.5466 -0.1924 -0.3689 0.2214 281 GLU B O 2137 C CB . GLU A 263 ? 1.5850 1.2330 1.5923 -0.2262 -0.3556 0.2486 281 GLU B CB 2138 C CG . GLU A 263 ? 1.6094 1.3148 1.6504 -0.2445 -0.3477 0.2685 281 GLU B CG 2139 C CD . GLU A 263 ? 1.6753 1.3567 1.7039 -0.2617 -0.3677 0.2696 281 GLU B CD 2140 O OE1 . GLU A 263 ? 1.7258 1.3510 1.7199 -0.2522 -0.3811 0.2484 281 GLU B OE1 2141 O OE2 . GLU A 263 ? 1.6633 1.3826 1.7162 -0.2840 -0.3704 0.2920 281 GLU B OE2 2142 N N . MET A 264 ? 1.5275 1.1381 1.5177 -0.2200 -0.3633 0.2642 282 MET B N 2143 C CA . MET A 264 ? 1.5363 1.0894 1.4956 -0.2156 -0.3813 0.2602 282 MET B CA 2144 C C . MET A 264 ? 1.5631 1.0511 1.4894 -0.2368 -0.4164 0.2662 282 MET B C 2145 O O . MET A 264 ? 1.5524 1.0457 1.4841 -0.2609 -0.4279 0.2797 282 MET B O 2146 C CB . MET A 264 ? 1.5157 1.0929 1.4898 -0.2239 -0.3765 0.2817 282 MET B CB 2147 C CG . MET A 264 ? 1.4574 1.0794 1.4516 -0.1982 -0.3465 0.2712 282 MET B CG 2148 S SD . MET A 264 ? 1.4545 1.0418 1.4252 -0.1590 -0.3397 0.2327 282 MET B SD 2149 C CE . MET A 264 ? 1.3889 1.0256 1.3828 -0.1392 -0.3117 0.2311 282 MET B CE 2150 N N . MET A 265 ? 1.6078 1.0319 1.4978 -0.2272 -0.4344 0.2559 283 MET B N 2151 C CA . MET A 265 ? 1.6939 1.0442 1.5445 -0.2447 -0.4705 0.2599 283 MET B CA 2152 C C . MET A 265 ? 1.7135 1.0386 1.5487 -0.2499 -0.4835 0.2695 283 MET B C 2153 O O . MET A 265 ? 1.7403 1.0248 1.5503 -0.2253 -0.4860 0.2518 283 MET B O 2154 C CB . MET A 265 ? 1.7437 1.0382 1.5565 -0.2198 -0.4786 0.2281 283 MET B CB 2155 C CG . MET A 265 ? 1.7285 1.0440 1.5497 -0.2192 -0.4707 0.2178 283 MET B CG 2156 S SD . MET A 265 ? 1.7756 1.0303 1.5514 -0.1863 -0.4768 0.1797 283 MET B SD 2157 C CE . MET A 265 ? 1.6979 0.9979 1.4940 -0.1450 -0.4402 0.1568 283 MET B CE 2158 N N . GLN A 266 ? 1.7061 1.0611 1.5573 -0.2802 -0.4907 0.2958 284 GLN B N 2159 C CA . GLN A 266 ? 1.7808 1.1206 1.6203 -0.2875 -0.5016 0.3059 284 GLN B CA 2160 C C . GLN A 266 ? 1.8032 1.0701 1.5940 -0.2877 -0.5321 0.2931 284 GLN B C 2161 O O . GLN A 266 ? 1.8131 1.0625 1.5907 -0.2968 -0.5452 0.3022 284 GLN B O 2162 C CB . GLN A 266 ? 1.9131 1.3101 1.7846 -0.3198 -0.5000 0.3385 284 GLN B CB 2163 C CG . GLN A 266 ? 1.9765 1.4465 1.8930 -0.3170 -0.4689 0.3530 284 GLN B CG 2164 C CD . GLN A 266 ? 2.0902 1.6151 2.0343 -0.3440 -0.4665 0.3841 284 GLN B CD 2165 O OE1 . GLN A 266 ? 2.1878 1.7046 2.1236 -0.3690 -0.4884 0.3972 284 GLN B OE1 2166 N NE2 . GLN A 266 ? 2.0586 1.6403 2.0344 -0.3381 -0.4402 0.3963 284 GLN B NE2 2167 N N . THR A 267 ? 1.8122 1.0360 1.5743 -0.2776 -0.5440 0.2726 285 THR B N 2168 C CA . THR A 267 ? 1.8438 0.9960 1.5552 -0.2738 -0.5725 0.2586 285 THR B CA 2169 C C . THR A 267 ? 1.8564 0.9626 1.5383 -0.2357 -0.5690 0.2313 285 THR B C 2170 O O . THR A 267 ? 1.9286 0.9841 1.5739 -0.2307 -0.5886 0.2246 285 THR B O 2171 C CB . THR A 267 ? 1.8111 0.9381 1.5013 -0.2812 -0.5887 0.2505 285 THR B CB 2172 O OG1 . THR A 267 ? 1.7692 0.9484 1.4926 -0.3133 -0.5883 0.2753 285 THR B OG1 2173 C CG2 . THR A 267 ? 1.8391 0.8963 1.4765 -0.2844 -0.6218 0.2429 285 THR B CG2 2174 N N . ALA A 268 ? 1.7918 0.9162 1.4890 -0.2080 -0.5450 0.2158 286 ALA B N 2175 C CA . ALA A 268 ? 1.7999 0.8892 1.4733 -0.1688 -0.5395 0.1894 286 ALA B CA 2176 C C . ALA A 268 ? 1.7861 0.9031 1.4817 -0.1563 -0.5224 0.1953 286 ALA B C 2177 O O . ALA A 268 ? 1.8260 0.9445 1.5232 -0.1234 -0.5067 0.1772 286 ALA B O 2178 C CB . ALA A 268 ? 1.7535 0.8426 1.4258 -0.1432 -0.5256 0.1666 286 ALA B CB 2179 N N . MET A 269 ? 1.7602 0.9008 1.4724 -0.1815 -0.5253 0.2203 287 MET B N 2180 C CA . MET A 269 ? 1.7470 0.9126 1.4774 -0.1709 -0.5104 0.2271 287 MET B CA 2181 C C . MET A 269 ? 1.7338 0.8475 1.4282 -0.1511 -0.5240 0.2129 287 MET B C 2182 O O . MET A 269 ? 1.8244 0.9406 1.5201 -0.1614 -0.5284 0.2272 287 MET B O 2183 C CB . MET A 269 ? 1.8549 1.0681 1.6158 -0.2041 -0.5069 0.2594 287 MET B CB 2184 C CG . MET A 269 ? 1.9208 1.2016 1.7261 -0.2156 -0.4844 0.2749 287 MET B CG 2185 S SD . MET A 269 ? 1.9682 1.3116 1.8095 -0.2398 -0.4718 0.3086 287 MET B SD 2186 C CE . MET A 269 ? 1.8684 1.2860 1.7560 -0.2457 -0.4450 0.3208 287 MET B CE 2187 N N . GLN A 270 ? 1.7008 0.7694 1.3628 -0.1219 -0.5301 0.1852 288 GLN B N 2188 C CA . GLN A 270 ? 1.7154 0.7327 1.3397 -0.1026 -0.5450 0.1713 288 GLN B CA 2189 C C . GLN A 270 ? 1.6365 0.6750 1.2766 -0.0815 -0.5290 0.1704 288 GLN B C 2190 O O . GLN A 270 ? 1.5374 0.6190 1.2082 -0.0663 -0.5055 0.1680 288 GLN B O 2191 C CB . GLN A 270 ? 1.6842 0.6547 1.2710 -0.0731 -0.5525 0.1415 288 GLN B CB 2192 C CG . GLN A 270 ? 1.5975 0.5949 1.2018 -0.0469 -0.5298 0.1241 288 GLN B CG 2193 C CD . GLN A 270 ? 1.6425 0.5953 1.2075 -0.0181 -0.5371 0.0955 288 GLN B CD 2194 O OE1 . GLN A 270 ? 1.5968 0.5086 1.1273 0.0035 -0.5482 0.0810 288 GLN B OE1 2195 N NE2 . GLN A 270 ? 1.6069 0.5684 1.1757 -0.0174 -0.5309 0.0875 288 GLN B NE2 2196 N N . ASN A 271 ? 1.6365 0.6444 1.2547 -0.0813 -0.5433 0.1730 289 ASN B N 2197 C CA . ASN A 271 ? 1.5872 0.6111 1.2167 -0.0645 -0.5321 0.1742 289 ASN B CA 2198 C C . ASN A 271 ? 1.6281 0.6020 1.2196 -0.0324 -0.5432 0.1512 289 ASN B C 2199 O O . ASN A 271 ? 1.6562 0.5772 1.2087 -0.0369 -0.5670 0.1457 289 ASN B O 2200 C CB . ASN A 271 ? 1.6163 0.6578 1.2590 -0.0965 -0.5370 0.2029 289 ASN B CB 2201 C CG . ASN A 271 ? 1.6916 0.7167 1.3220 -0.0817 -0.5402 0.2013 289 ASN B CG 2202 O OD1 . ASN A 271 ? 1.7178 0.6986 1.3171 -0.0899 -0.5623 0.2031 289 ASN B OD1 2203 N ND2 . ASN A 271 ? 1.7133 0.7737 1.3671 -0.0599 -0.5190 0.1979 289 ASN B ND2 2204 N N . THR A 272 ? 1.6336 0.6261 1.2363 0.0004 -0.5264 0.1382 290 THR B N 2205 C CA . THR A 272 ? 1.5741 0.5293 1.1458 0.0346 -0.5333 0.1163 290 THR B CA 2206 C C . THR A 272 ? 1.6568 0.6388 1.2472 0.0496 -0.5211 0.1200 290 THR B C 2207 O O . THR A 272 ? 1.4974 0.5235 1.1213 0.0335 -0.5081 0.1389 290 THR B O 2208 C CB . THR A 272 ? 1.5720 0.5217 1.1335 0.0686 -0.5249 0.0888 290 THR B CB 2209 O OG1 . THR A 272 ? 1.6143 0.5338 1.1474 0.1030 -0.5303 0.0687 290 THR B OG1 2210 C CG2 . THR A 272 ? 1.4942 0.5035 1.0978 0.0817 -0.4972 0.0863 290 THR B CG2 2211 N N . MET A 273 ? 1.6428 0.5992 1.2104 0.0813 -0.5253 0.1019 291 MET B N 2212 C CA . MET A 273 ? 1.5930 0.5690 1.1730 0.0977 -0.5169 0.1034 291 MET B CA 2213 C C . MET A 273 ? 1.5320 0.5386 1.1270 0.1380 -0.4973 0.0819 291 MET B C 2214 O O . MET A 273 ? 1.5556 0.5413 1.1294 0.1639 -0.4993 0.0598 291 MET B O 2215 C CB . MET A 273 ? 1.7185 0.6434 1.2616 0.1009 -0.5386 0.1020 291 MET B CB 2216 C CG . MET A 273 ? 1.8460 0.7520 1.3814 0.0608 -0.5558 0.1271 291 MET B CG 2217 S SD . MET A 273 ? 1.8967 0.8524 1.4691 0.0440 -0.5416 0.1523 291 MET B SD 2218 C CE . MET A 273 ? 1.8943 0.8436 1.4578 0.0839 -0.5385 0.1363 291 MET B CE 2219 N N . LEU A 274 ? 1.4698 0.5277 1.1008 0.1432 -0.4785 0.0888 292 LEU B N 2220 C CA . LEU A 274 ? 1.4355 0.5284 1.0839 0.1801 -0.4606 0.0707 292 LEU B CA 2221 C C . LEU A 274 ? 1.6539 0.7280 1.2846 0.2027 -0.4680 0.0630 292 LEU B C 2222 O O . LEU A 274 ? 1.6639 0.7422 1.3002 0.1918 -0.4711 0.0778 292 LEU B O 2223 C CB . LEU A 274 ? 1.3605 0.5152 1.0529 0.1745 -0.4399 0.0820 292 LEU B CB 2224 C CG . LEU A 274 ? 1.3102 0.5141 1.0297 0.2054 -0.4189 0.0661 292 LEU B CG 2225 C CD1 . LEU A 274 ? 1.4577 0.6747 1.1800 0.2311 -0.4158 0.0590 292 LEU B CD1 2226 C CD2 . LEU A 274 ? 1.3209 0.5158 1.0289 0.2252 -0.4159 0.0445 292 LEU B CD2 2227 N N . ILE A 275 ? 1.6606 0.7146 1.2690 0.2343 -0.4707 0.0403 293 ILE B N 2228 C CA . ILE A 275 ? 1.6531 0.6856 1.2409 0.2581 -0.4790 0.0314 293 ILE B CA 2229 C C . ILE A 275 ? 1.6469 0.7213 1.2528 0.2972 -0.4606 0.0124 293 ILE B C 2230 O O . ILE A 275 ? 1.6757 0.7574 1.2788 0.3153 -0.4528 -0.0041 293 ILE B O 2231 C CB . ILE A 275 ? 1.7153 0.6798 1.2531 0.2601 -0.5027 0.0229 293 ILE B CB 2232 C CG1 . ILE A 275 ? 1.7600 0.6867 1.2817 0.2187 -0.5222 0.0435 293 ILE B CG1 2233 C CG2 . ILE A 275 ? 1.6778 0.6232 1.1950 0.2890 -0.5100 0.0120 293 ILE B CG2 2234 C CD1 . ILE A 275 ? 1.8692 0.7268 1.3398 0.2171 -0.5486 0.0368 293 ILE B CD1 2235 N N . ASN A 276 ? 1.6700 0.7737 1.2945 0.3094 -0.4538 0.0156 294 ASN B N 2236 C CA . ASN A 276 ? 1.6925 0.8398 1.3359 0.3453 -0.4378 -0.0001 294 ASN B CA 2237 C C . ASN A 276 ? 1.6359 0.8381 1.3134 0.3507 -0.4159 -0.0060 294 ASN B C 2238 O O . ASN A 276 ? 1.6541 0.8873 1.3410 0.3800 -0.4031 -0.0225 294 ASN B O 2239 C CB . ASN A 276 ? 1.8340 0.9485 1.4432 0.3763 -0.4463 -0.0198 294 ASN B CB 2240 C CG . ASN A 276 ? 1.8784 1.0298 1.5026 0.4093 -0.4362 -0.0293 294 ASN B CG 2241 O OD1 . ASN A 276 ? 1.8533 1.0436 1.5074 0.4063 -0.4280 -0.0195 294 ASN B OD1 2242 N ND2 . ASN A 276 ? 1.9317 1.0717 1.5344 0.4407 -0.4372 -0.0479 294 ASN B ND2 2243 N N . GLY A 277 ? 1.5691 0.7852 1.2652 0.3222 -0.4114 0.0081 295 GLY B N 2244 C CA . GLY A 277 ? 1.4804 0.7498 1.2109 0.3240 -0.3915 0.0052 295 GLY B CA 2245 C C . GLY A 277 ? 1.4490 0.7044 1.1708 0.3159 -0.3907 -0.0007 295 GLY B C 2246 O O . GLY A 277 ? 1.3563 0.6490 1.1057 0.3072 -0.3772 0.0026 295 GLY B O 2247 N N . ILE A 278 ? 1.4836 0.6857 1.1668 0.3184 -0.4055 -0.0093 296 ILE B N 2248 C CA . ILE A 278 ? 1.5131 0.7004 1.1843 0.3150 -0.4051 -0.0180 296 ILE B CA 2249 C C . ILE A 278 ? 1.5100 0.6362 1.1478 0.2862 -0.4276 -0.0078 296 ILE B C 2250 O O . ILE A 278 ? 1.5588 0.6413 1.1673 0.2842 -0.4455 -0.0054 296 ILE B O 2251 C CB . ILE A 278 ? 1.5824 0.7703 1.2370 0.3515 -0.3991 -0.0425 296 ILE B CB 2252 C CG1 . ILE A 278 ? 1.5993 0.8537 1.2892 0.3784 -0.3769 -0.0510 296 ILE B CG1 2253 C CG2 . ILE A 278 ? 1.5558 0.7299 1.1974 0.3479 -0.3980 -0.0514 296 ILE B CG2 2254 C CD1 . ILE A 278 ? 1.6320 0.8979 1.3104 0.4136 -0.3678 -0.0731 296 ILE B CD1 2255 N N . ALA A 279 ? 1.4096 0.5346 1.0528 0.2630 -0.4271 -0.0012 297 ALA B N 2256 C CA . ALA A 279 ? 1.4563 0.5289 1.0692 0.2358 -0.4474 0.0064 297 ALA B CA 2257 C C . ALA A 279 ? 1.4536 0.5234 1.0598 0.2386 -0.4431 -0.0057 297 ALA B C 2258 O O . ALA A 279 ? 1.5039 0.6184 1.1369 0.2525 -0.4232 -0.0136 297 ALA B O 2259 C CB . ALA A 279 ? 1.4359 0.5129 1.0654 0.1947 -0.4531 0.0339 297 ALA B CB 2260 N N . GLN A 280 ? 1.5910 0.6081 1.1602 0.2252 -0.4625 -0.0071 298 GLN B N 2261 C CA . GLN A 280 ? 1.6027 0.6113 1.1602 0.2274 -0.4607 -0.0188 298 GLN B CA 2262 C C . GLN A 280 ? 1.5876 0.5551 1.1242 0.1902 -0.4817 -0.0052 298 GLN B C 2263 O O . GLN A 280 ? 1.6216 0.5480 1.1329 0.1742 -0.5029 0.0039 298 GLN B O 2264 C CB . GLN A 280 ? 1.7210 0.7076 1.2448 0.2652 -0.4614 -0.0447 298 GLN B CB 2265 C CG . GLN A 280 ? 1.7745 0.8143 1.3237 0.3017 -0.4363 -0.0601 298 GLN B CG 2266 C CD . GLN A 280 ? 1.8836 0.9101 1.4025 0.3356 -0.4335 -0.0842 298 GLN B CD 2267 O OE1 . GLN A 280 ? 1.9603 0.9353 1.4376 0.3321 -0.4505 -0.0903 298 GLN B OE1 2268 N NE2 . GLN A 280 ? 1.8823 0.9575 1.4219 0.3681 -0.4121 -0.0972 298 GLN B NE2 2269 N N . VAL A 281 ? 1.5513 0.5319 1.0992 0.1759 -0.4760 -0.0036 299 VAL B N 2270 C CA . VAL A 281 ? 1.5549 0.5014 1.0839 0.1419 -0.4951 0.0075 299 VAL B CA 2271 C C . VAL A 281 ? 1.6892 0.6303 1.2056 0.1516 -0.4909 -0.0085 299 VAL B C 2272 O O . VAL A 281 ? 1.6385 0.6120 1.1700 0.1789 -0.4703 -0.0240 299 VAL B O 2273 C CB . VAL A 281 ? 1.5110 0.4867 1.0751 0.1009 -0.4938 0.0359 299 VAL B CB 2274 C CG1 . VAL A 281 ? 1.5152 0.4923 1.0868 0.0883 -0.5000 0.0532 299 VAL B CG1 2275 C CG2 . VAL A 281 ? 1.4341 0.4681 1.0420 0.1053 -0.4684 0.0374 299 VAL B CG2 2276 N N . THR A 282 ? 1.7082 0.6095 1.1965 0.1282 -0.5112 -0.0041 300 THR B N 2277 C CA . THR A 282 ? 1.7442 0.6377 1.2191 0.1307 -0.5101 -0.0159 300 THR B CA 2278 C C . THR A 282 ? 1.7075 0.6079 1.1986 0.0868 -0.5182 0.0058 300 THR B C 2279 O O . THR A 282 ? 1.6198 0.4998 1.1035 0.0559 -0.5378 0.0245 300 THR B O 2280 C CB . THR A 282 ? 1.8177 0.6531 1.2355 0.1489 -0.5286 -0.0341 300 THR B CB 2281 O OG1 . THR A 282 ? 1.8797 0.6686 1.2690 0.1246 -0.5569 -0.0210 300 THR B OG1 2282 C CG2 . THR A 282 ? 1.8449 0.6822 1.2494 0.1954 -0.5171 -0.0563 300 THR B CG2 2283 N N . PHE A 283 ? 1.6601 0.5924 1.1745 0.0841 -0.5029 0.0038 301 PHE B N 2284 C CA . PHE A 283 ? 1.6580 0.6067 1.1936 0.0445 -0.5070 0.0242 301 PHE B CA 2285 C C . PHE A 283 ? 1.7407 0.6565 1.2437 0.0403 -0.5198 0.0139 301 PHE B C 2286 O O . PHE A 283 ? 1.7334 0.6530 1.2289 0.0656 -0.5072 -0.0065 301 PHE B O 2287 C CB . PHE A 283 ? 1.5744 0.5885 1.1621 0.0422 -0.4801 0.0314 301 PHE B CB 2288 C CG . PHE A 283 ? 1.5775 0.6251 1.1931 0.0026 -0.4793 0.0527 301 PHE B CG 2289 C CD1 . PHE A 283 ? 1.5774 0.6292 1.2084 -0.0320 -0.4910 0.0811 301 PHE B CD1 2290 C CD2 . PHE A 283 ? 1.5699 0.6472 1.1969 0.0005 -0.4665 0.0450 301 PHE B CD2 2291 C CE1 . PHE A 283 ? 1.5632 0.6506 1.2215 -0.0668 -0.4897 0.1016 301 PHE B CE1 2292 C CE2 . PHE A 283 ? 1.5465 0.6564 1.1999 -0.0343 -0.4659 0.0649 301 PHE B CE2 2293 C CZ . PHE A 283 ? 1.5363 0.6527 1.2061 -0.0674 -0.4773 0.0932 301 PHE B CZ 2294 N N . ASP A 284 ? 1.8240 0.7088 1.3066 0.0088 -0.5450 0.0282 302 ASP B N 2295 C CA . ASP A 284 ? 1.9096 0.7646 1.3624 -0.0012 -0.5601 0.0229 302 ASP B CA 2296 C C . ASP A 284 ? 1.8920 0.7913 1.3841 -0.0285 -0.5498 0.0376 302 ASP B C 2297 O O . ASP A 284 ? 1.8768 0.7942 1.3906 -0.0659 -0.5587 0.0631 302 ASP B O 2298 C CB . ASP A 284 ? 2.0135 0.8187 1.4285 -0.0237 -0.5929 0.0333 302 ASP B CB 2299 C CG . ASP A 284 ? 2.0813 0.8447 1.4536 -0.0250 -0.6111 0.0233 302 ASP B CG 2300 O OD1 . ASP A 284 ? 2.0295 0.8130 1.4134 -0.0267 -0.6006 0.0188 302 ASP B OD1 2301 O OD2 . ASP A 284 ? 2.1568 0.8654 1.4819 -0.0241 -0.6366 0.0201 302 ASP B OD2 2302 N N . SER A 285 ? 1.8840 0.8035 1.3856 -0.0092 -0.5306 0.0217 303 SER B N 2303 C CA . SER A 285 ? 1.8718 0.8358 1.4124 -0.0320 -0.5186 0.0344 303 SER B CA 2304 C C . SER A 285 ? 1.9225 0.8722 1.4517 -0.0677 -0.5404 0.0491 303 SER B C 2305 O O . SER A 285 ? 1.8950 0.8811 1.4592 -0.1016 -0.5408 0.0741 303 SER B O 2306 C CB . SER A 285 ? 1.8764 0.8703 1.4249 -0.0033 -0.4932 0.0117 303 SER B CB 2307 O OG . SER A 285 ? 1.8554 0.8891 1.4247 0.0272 -0.4678 0.0004 303 SER B OG 2308 N N . GLU A 286 ? 1.9986 0.8978 1.4787 -0.0597 -0.5589 0.0350 304 GLU B N 2309 C CA . GLU A 286 ? 2.0403 0.9250 1.5068 -0.0908 -0.5804 0.0476 304 GLU B CA 2310 C C . GLU A 286 ? 2.0063 0.9005 1.4887 -0.1297 -0.5981 0.0777 304 GLU B C 2311 O O . GLU A 286 ? 1.9909 0.9209 1.5035 -0.1622 -0.5999 0.0990 304 GLU B O 2312 C CB . GLU A 286 ? 2.1835 1.0047 1.5879 -0.0729 -0.6002 0.0284 304 GLU B CB 2313 C CG . GLU A 286 ? 2.2989 1.0963 1.6818 -0.1039 -0.6273 0.0422 304 GLU B CG 2314 C CD . GLU A 286 ? 2.4369 1.1669 1.7542 -0.0845 -0.6482 0.0242 304 GLU B CD 2315 O OE1 . GLU A 286 ? 2.4788 1.1877 1.7706 -0.0450 -0.6377 -0.0007 304 GLU B OE1 2316 O OE2 . GLU A 286 ? 2.5191 1.2188 1.8101 -0.1079 -0.6752 0.0357 304 GLU B OE2 2317 N N . THR A 287 ? 1.9763 0.8416 1.4393 -0.1262 -0.6110 0.0801 305 THR B N 2318 C CA . THR A 287 ? 1.9271 0.7973 1.3994 -0.1624 -0.6300 0.1078 305 THR B CA 2319 C C . THR A 287 ? 1.8983 0.8379 1.4319 -0.1842 -0.6108 0.1315 305 THR B C 2320 O O . THR A 287 ? 1.8664 0.8348 1.4225 -0.2198 -0.6197 0.1569 305 THR B O 2321 C CB . THR A 287 ? 1.9062 0.7310 1.3446 -0.1513 -0.6458 0.1036 305 THR B CB 2322 O OG1 . THR A 287 ? 1.9825 0.7441 1.3626 -0.1265 -0.6615 0.0804 305 THR B OG1 2323 C CG2 . THR A 287 ? 1.8783 0.7021 1.3196 -0.1898 -0.6692 0.1316 305 THR B CG2 2324 N N . ALA A 288 ? 1.9290 0.8982 1.4897 -0.1624 -0.5845 0.1243 306 ALA B N 2325 C CA . ALA A 288 ? 1.9558 0.9891 1.5713 -0.1803 -0.5659 0.1470 306 ALA B CA 2326 C C . ALA A 288 ? 2.0468 1.1286 1.6977 -0.1970 -0.5531 0.1568 306 ALA B C 2327 O O . ALA A 288 ? 1.9962 1.1289 1.6864 -0.2247 -0.5479 0.1829 306 ALA B O 2328 C CB . ALA A 288 ? 1.8999 0.9492 1.5317 -0.1508 -0.5427 0.1367 306 ALA B CB 2329 N N . VAL A 289 ? 2.1684 1.2377 1.8060 -0.1796 -0.5472 0.1362 307 VAL B N 2330 C CA . VAL A 289 ? 2.2017 1.3131 1.8695 -0.1948 -0.5365 0.1438 307 VAL B CA 2331 C C . VAL A 289 ? 2.2875 1.3878 1.9409 -0.2231 -0.5599 0.1554 307 VAL B C 2332 O O . VAL A 289 ? 2.3196 1.4539 1.9957 -0.2373 -0.5539 0.1625 307 VAL B O 2333 C CB . VAL A 289 ? 2.1789 1.2956 1.8432 -0.1632 -0.5158 0.1164 307 VAL B CB 2334 C CG1 . VAL A 289 ? 2.1796 1.3271 1.8591 -0.1295 -0.4883 0.1015 307 VAL B CG1 2335 C CG2 . VAL A 289 ? 2.2694 1.3188 1.8787 -0.1491 -0.5350 0.0941 307 VAL B CG2 2336 N N . LYS A 290 ? 2.2034 1.2565 1.8185 -0.2313 -0.5873 0.1577 308 LYS B N 2337 C CA . LYS A 290 ? 2.0542 1.1089 1.6654 -0.2649 -0.6105 0.1780 308 LYS B CA 2338 C C . LYS A 290 ? 1.9247 1.0443 1.5867 -0.2962 -0.6046 0.2107 308 LYS B C 2339 O O . LYS A 290 ? 1.9135 1.0617 1.5917 -0.3234 -0.6136 0.2301 308 LYS B O 2340 C CB . LYS A 290 ? 2.0609 1.0491 1.6185 -0.2668 -0.6424 0.1746 308 LYS B CB 2341 C CG . LYS A 290 ? 2.0160 0.9807 1.5477 -0.2872 -0.6683 0.1816 308 LYS B CG 2342 C CD . LYS A 290 ? 2.0333 0.9240 1.5049 -0.2838 -0.6999 0.1746 308 LYS B CD 2343 C CE . LYS A 290 ? 2.0381 0.8965 1.4760 -0.2962 -0.7241 0.1760 308 LYS B CE 2344 N NZ . LYS A 290 ? 1.9858 0.8914 1.4581 -0.3353 -0.7325 0.2070 308 LYS B NZ 2345 N N . GLU A 291 ? 1.8461 0.9911 1.5328 -0.2915 -0.5894 0.2174 309 GLU B N 2346 C CA . GLU A 291 ? 1.7792 0.9953 1.5187 -0.3138 -0.5751 0.2456 309 GLU B CA 2347 C C . GLU A 291 ? 1.7147 0.9838 1.4935 -0.3077 -0.5475 0.2443 309 GLU B C 2348 O O . GLU A 291 ? 1.6734 0.9241 1.4415 -0.2819 -0.5353 0.2203 309 GLU B O 2349 C CB . GLU A 291 ? 1.7939 1.0160 1.5425 -0.3072 -0.5669 0.2512 309 GLU B CB 2350 C CG . GLU A 291 ? 1.7785 1.0726 1.5776 -0.3276 -0.5516 0.2804 309 GLU B CG 2351 C CD . GLU A 291 ? 1.8067 1.1033 1.6115 -0.3159 -0.5409 0.2824 309 GLU B CD 2352 O OE1 . GLU A 291 ? 1.8317 1.0743 1.6021 -0.2925 -0.5466 0.2615 309 GLU B OE1 2353 O OE2 . GLU A 291 ? 1.7833 1.1373 1.6263 -0.3287 -0.5264 0.3047 309 GLU B OE2 2354 N N . LEU A 292 ? 1.7434 1.0800 1.5674 -0.3309 -0.5378 0.2706 310 LEU B N 2355 C CA . LEU A 292 ? 1.7848 1.1774 1.6483 -0.3283 -0.5127 0.2731 310 LEU B CA 2356 C C . LEU A 292 ? 1.8811 1.2530 1.7273 -0.3247 -0.5189 0.2572 310 LEU B C 2357 O O . LEU A 292 ? 1.8735 1.2598 1.7311 -0.3078 -0.4993 0.2425 310 LEU B O 2358 C CB . LEU A 292 ? 1.7630 1.1738 1.6432 -0.3009 -0.4840 0.2606 310 LEU B CB 2359 C CG . LEU A 292 ? 1.7609 1.1980 1.6602 -0.2997 -0.4727 0.2745 310 LEU B CG 2360 C CD1 . LEU A 292 ? 1.6828 1.1503 1.5943 -0.2627 -0.4403 0.2520 310 LEU B CD1 2361 C CD2 . LEU A 292 ? 1.7458 1.2492 1.6877 -0.3279 -0.4670 0.3085 310 LEU B CD2 2362 N N . SER A 293 ? 1.9871 1.3260 1.8042 -0.3399 -0.5462 0.2601 311 SER B N 2363 C CA . SER A 293 ? 2.0395 1.3552 1.8349 -0.3392 -0.5562 0.2475 311 SER B CA 2364 C C . SER A 293 ? 2.0695 1.3293 1.8275 -0.3062 -0.5516 0.2127 311 SER B C 2365 O O . SER A 293 ? 2.1098 1.3173 1.8317 -0.2915 -0.5622 0.1998 311 SER B O 2366 C CB . SER A 293 ? 1.9809 1.3643 1.8211 -0.3520 -0.5406 0.2618 311 SER B CB 2367 O OG . SER A 293 ? 1.9672 1.3966 1.8343 -0.3806 -0.5491 0.2934 311 SER B OG 2368 N N . TYR A 294 ? 2.0420 1.3111 1.8055 -0.2931 -0.5369 0.1969 312 TYR B N 2369 C CA . TYR A 294 ? 2.0303 1.2548 1.7615 -0.2597 -0.5294 0.1638 312 TYR B CA 2370 C C . TYR A 294 ? 2.0816 1.2334 1.7524 -0.2499 -0.5544 0.1465 312 TYR B C 2371 O O . TYR A 294 ? 2.1274 1.2572 1.7740 -0.2417 -0.5580 0.1307 312 TYR B O 2372 C CB . TYR A 294 ? 1.9678 1.2123 1.7110 -0.2315 -0.5052 0.1532 312 TYR B CB 2373 C CG . TYR A 294 ? 1.8746 1.2078 1.6743 -0.2287 -0.4716 0.1631 312 TYR B CG 2374 C CD1 . TYR A 294 ? 1.7928 1.1777 1.6200 -0.2315 -0.4552 0.1642 312 TYR B CD1 2375 C CD2 . TYR A 294 ? 1.8743 1.2367 1.6972 -0.2230 -0.4573 0.1713 312 TYR B CD2 2376 C CE1 . TYR A 294 ? 1.7223 1.1833 1.5969 -0.2277 -0.4257 0.1727 312 TYR B CE1 2377 C CE2 . TYR A 294 ? 1.8007 1.2398 1.6708 -0.2196 -0.4276 0.1797 312 TYR B CE2 2378 C CZ . TYR A 294 ? 1.7200 1.2070 1.6150 -0.2215 -0.4121 0.1801 312 TYR B CZ 2379 O OH . TYR A 294 ? 1.6256 1.1841 1.5636 -0.2166 -0.3839 0.1878 312 TYR B OH 2380 N N . TYR A 295 ? 2.0788 1.1928 1.7232 -0.2492 -0.5712 0.1489 313 TYR B N 2381 C CA . TYR A 295 ? 2.1318 1.1770 1.7177 -0.2427 -0.5979 0.1368 313 TYR B CA 2382 C C . TYR A 295 ? 2.1519 1.1512 1.6970 -0.2043 -0.5915 0.1023 313 TYR B C 2383 O O . TYR A 295 ? 2.2205 1.1709 1.7267 -0.1835 -0.6005 0.0879 313 TYR B O 2384 C CB . TYR A 295 ? 2.1380 1.1808 1.7147 -0.2698 -0.6195 0.1515 313 TYR B CB 2385 C CG . TYR A 295 ? 2.1238 1.2154 1.7394 -0.3067 -0.6268 0.1864 313 TYR B CG 2386 C CD1 . TYR A 295 ? 2.1887 1.2634 1.7933 -0.3226 -0.6470 0.2027 313 TYR B CD1 2387 C CD2 . TYR A 295 ? 2.0436 1.2003 1.7068 -0.3246 -0.6131 0.2033 313 TYR B CD2 2388 C CE1 . TYR A 295 ? 2.1758 1.2989 1.8161 -0.3553 -0.6529 0.2351 313 TYR B CE1 2389 C CE2 . TYR A 295 ? 2.0428 1.2492 1.7420 -0.3554 -0.6183 0.2356 313 TYR B CE2 2390 C CZ . TYR A 295 ? 2.1189 1.3092 1.8069 -0.3705 -0.6379 0.2515 313 TYR B CZ 2391 O OH . TYR A 295 ? 2.1185 1.3612 1.8423 -0.4001 -0.6424 0.2839 313 TYR B OH 2392 N N . SER A 296 ? 2.0986 1.1146 1.6513 -0.1939 -0.5759 0.0889 314 SER B N 2393 C CA . SER A 296 ? 2.1035 1.0792 1.6149 -0.1595 -0.5711 0.0573 314 SER B CA 2394 C C . SER A 296 ? 2.0589 1.0604 1.5918 -0.1307 -0.5406 0.0391 314 SER B C 2395 O O . SER A 296 ? 1.9862 1.0552 1.5715 -0.1367 -0.5177 0.0515 314 SER B O 2396 C CB . SER A 296 ? 2.1079 1.0776 1.6036 -0.1677 -0.5784 0.0537 314 SER B CB 2397 O OG . SER A 296 ? 2.0220 1.0500 1.5648 -0.1809 -0.5599 0.0617 314 SER B OG 2398 N N . LEU A 297 ? 2.0816 1.0486 1.5762 -0.0944 -0.5349 0.0101 315 LEU B N 2399 C CA . LEU A 297 ? 2.0161 1.0307 1.5320 -0.0608 -0.4996 -0.0081 315 LEU B CA 2400 C C . LEU A 297 ? 1.9991 1.0665 1.5382 -0.0603 -0.4780 -0.0128 315 LEU B C 2401 O O . LEU A 297 ? 1.9370 1.0636 1.5077 -0.0409 -0.4460 -0.0207 315 LEU B O 2402 C CB . LEU A 297 ? 2.0328 0.9939 1.4992 -0.0206 -0.5015 -0.0360 315 LEU B CB 2403 C CG . LEU A 297 ? 1.9253 0.9323 1.4060 0.0184 -0.4667 -0.0569 315 LEU B CG 2404 C CD1 . LEU A 297 ? 1.7869 0.8646 1.3241 0.0180 -0.4415 -0.0453 315 LEU B CD1 2405 C CD2 . LEU A 297 ? 2.0106 0.9577 1.4382 0.0564 -0.4741 -0.0815 315 LEU B CD2 2406 N N . GLU A 298 ? 2.0510 1.0964 1.5737 -0.0816 -0.4959 -0.0078 316 GLU B N 2407 C CA . GLU A 298 ? 2.0251 1.1236 1.5739 -0.0858 -0.4770 -0.0082 316 GLU B CA 2408 C C . GLU A 298 ? 1.8922 1.0737 1.5065 -0.1013 -0.4542 0.0120 316 GLU B C 2409 O O . GLU A 298 ? 1.8462 1.0849 1.4896 -0.0906 -0.4262 0.0066 316 GLU B O 2410 C CB . GLU A 298 ? 2.1160 1.1765 1.6387 -0.1111 -0.5041 -0.0018 316 GLU B CB 2411 C CG . GLU A 298 ? 2.1484 1.2090 1.6506 -0.0961 -0.4948 -0.0205 316 GLU B CG 2412 C CD . GLU A 298 ? 2.0808 1.2237 1.6347 -0.1010 -0.4659 -0.0136 316 GLU B CD 2413 O OE1 . GLU A 298 ? 2.0495 1.2225 1.6076 -0.0738 -0.4388 -0.0312 316 GLU B OE1 2414 O OE2 . GLU A 298 ? 2.0509 1.2286 1.6405 -0.1318 -0.4706 0.0101 316 GLU B OE2 2415 N N . ASP A 299 ? 1.8202 1.0080 1.4563 -0.1258 -0.4658 0.0354 317 ASP B N 2416 C CA . ASP A 299 ? 1.7268 0.9894 1.4210 -0.1364 -0.4440 0.0539 317 ASP B CA 2417 C C . ASP A 299 ? 1.7048 0.9869 1.4103 -0.1086 -0.4219 0.0430 317 ASP B C 2418 O O . ASP A 299 ? 1.7600 1.0094 1.4340 -0.0793 -0.4190 0.0201 317 ASP B O 2419 C CB . ASP A 299 ? 1.7574 1.0210 1.4690 -0.1734 -0.4650 0.0842 317 ASP B CB 2420 C CG . ASP A 299 ? 1.8273 1.0555 1.5175 -0.2009 -0.4942 0.0941 317 ASP B CG 2421 O OD1 . ASP A 299 ? 1.8891 1.1071 1.5606 -0.1930 -0.4933 0.0795 317 ASP B OD1 2422 O OD2 . ASP A 299 ? 1.8273 1.0389 1.5193 -0.2314 -0.5186 0.1172 317 ASP B OD2 2423 N N . LEU A 300 ? 1.6174 0.9550 1.3680 -0.1166 -0.4059 0.0595 318 LEU B N 2424 C CA . LEU A 300 ? 1.5450 0.9063 1.3108 -0.0939 -0.3856 0.0524 318 LEU B CA 2425 C C . LEU A 300 ? 1.5147 0.9034 1.2831 -0.0626 -0.3585 0.0291 318 LEU B C 2426 O O . LEU A 300 ? 1.5344 0.9526 1.3207 -0.0443 -0.3390 0.0236 318 LEU B O 2427 C CB . LEU A 300 ? 1.5669 0.8675 1.2982 -0.0852 -0.4051 0.0476 318 LEU B CB 2428 C CG . LEU A 300 ? 1.5392 0.8104 1.2669 -0.1142 -0.4315 0.0712 318 LEU B CG 2429 C CD1 . LEU A 300 ? 1.5388 0.7439 1.2256 -0.0992 -0.4498 0.0612 318 LEU B CD1 2430 C CD2 . LEU A 300 ? 1.4768 0.8106 1.2541 -0.1297 -0.4164 0.0941 318 LEU B CD2 2431 N N . ASN A 301 ? 1.4832 0.8633 1.2339 -0.0571 -0.3577 0.0162 319 ASN B N 2432 C CA . ASN A 301 ? 1.4283 0.8332 1.1789 -0.0286 -0.3332 -0.0050 319 ASN B CA 2433 C C . ASN A 301 ? 1.3511 0.8304 1.1509 -0.0298 -0.3050 0.0027 319 ASN B C 2434 O O . ASN A 301 ? 1.2934 0.8057 1.1212 -0.0524 -0.3033 0.0202 319 ASN B O 2435 C CB . ASN A 301 ? 1.4143 0.7963 1.1360 -0.0259 -0.3387 -0.0176 319 ASN B CB 2436 C CG . ASN A 301 ? 1.3671 0.7660 1.0803 0.0054 -0.3162 -0.0406 319 ASN B CG 2437 O OD1 . ASN A 301 ? 1.3408 0.7519 1.0582 0.0285 -0.3022 -0.0504 319 ASN B OD1 2438 N ND2 . ASN A 301 ? 1.3530 0.7538 1.0541 0.0057 -0.3130 -0.0484 319 ASN B ND2 2439 N N . ASN A 302 ? 1.3309 0.8356 1.1403 -0.0051 -0.2839 -0.0097 320 ASN B N 2440 C CA . ASN A 302 ? 1.2449 0.8136 1.0958 -0.0023 -0.2579 -0.0048 320 ASN B CA 2441 C C . ASN A 302 ? 1.2033 0.7930 1.0830 -0.0184 -0.2590 0.0158 320 ASN B C 2442 O O . ASN A 302 ? 1.1780 0.8171 1.0899 -0.0164 -0.2390 0.0208 320 ASN B O 2443 C CB . ASN A 302 ? 1.2152 0.8227 1.0839 -0.0102 -0.2442 -0.0031 320 ASN B CB 2444 C CG . ASN A 302 ? 1.2462 0.8391 1.0880 0.0062 -0.2402 -0.0230 320 ASN B CG 2445 O OD1 . ASN A 302 ? 1.2245 0.8397 1.0690 0.0274 -0.2214 -0.0367 320 ASN B OD1 2446 N ND2 . ASN A 302 ? 1.2909 0.8467 1.1060 -0.0040 -0.2582 -0.0239 320 ASN B ND2 2447 N N . LYS A 303 ? 1.2449 0.7980 1.1125 -0.0346 -0.2819 0.0283 321 LYS B N 2448 C CA . LYS A 303 ? 1.2778 0.8472 1.1683 -0.0472 -0.2833 0.0472 321 LYS B CA 2449 C C . LYS A 303 ? 1.2901 0.8431 1.1707 -0.0263 -0.2814 0.0377 321 LYS B C 2450 O O . LYS A 303 ? 1.3541 0.8775 1.2075 -0.0034 -0.2828 0.0178 321 LYS B O 2451 C CB . LYS A 303 ? 1.3218 0.8616 1.2046 -0.0758 -0.3094 0.0669 321 LYS B CB 2452 C CG . LYS A 303 ? 1.3539 0.8941 1.2348 -0.0939 -0.3177 0.0723 321 LYS B CG 2453 C CD . LYS A 303 ? 1.3590 0.9474 1.2777 -0.1188 -0.3137 0.0976 321 LYS B CD 2454 C CE . LYS A 303 ? 1.3879 0.9542 1.3048 -0.1451 -0.3377 0.1205 321 LYS B CE 2455 N NZ . LYS A 303 ? 1.3373 0.9520 1.2897 -0.1700 -0.3353 0.1462 321 LYS B NZ 2456 N N . TYR A 304 ? 1.2243 0.7980 1.1269 -0.0331 -0.2779 0.0523 322 TYR B N 2457 C CA . TYR A 304 ? 1.2264 0.7938 1.1255 -0.0136 -0.2735 0.0449 322 TYR B CA 2458 C C . TYR A 304 ? 1.2653 0.7950 1.1518 -0.0259 -0.2951 0.0588 322 TYR B C 2459 O O . TYR A 304 ? 1.2969 0.8241 1.1902 -0.0529 -0.3078 0.0794 322 TYR B O 2460 C CB . TYR A 304 ? 1.1614 0.7882 1.0960 -0.0066 -0.2479 0.0475 322 TYR B CB 2461 C CG . TYR A 304 ? 1.1503 0.8116 1.0950 0.0079 -0.2268 0.0327 322 TYR B CG 2462 C CD1 . TYR A 304 ? 1.0756 0.7671 1.0367 -0.0052 -0.2185 0.0385 322 TYR B CD1 2463 C CD2 . TYR A 304 ? 1.1679 0.8330 1.1061 0.0342 -0.2157 0.0140 322 TYR B CD2 2464 C CE1 . TYR A 304 ? 1.0215 0.7422 0.9900 0.0067 -0.2002 0.0259 322 TYR B CE1 2465 C CE2 . TYR A 304 ? 1.1004 0.7984 1.0480 0.0453 -0.1970 0.0023 322 TYR B CE2 2466 C CZ . TYR A 304 ? 1.0247 0.7487 0.9864 0.0311 -0.1896 0.0081 322 TYR B CZ 2467 O OH . TYR A 304 ? 0.9834 0.7376 0.9526 0.0411 -0.1720 -0.0028 322 TYR B OH 2468 N N . LEU A 305 ? 1.2531 0.7544 1.1212 -0.0058 -0.2994 0.0481 323 LEU B N 2469 C CA . LEU A 305 ? 1.2344 0.6986 1.0889 -0.0136 -0.3187 0.0597 323 LEU B CA 2470 C C . LEU A 305 ? 1.2119 0.7138 1.0923 -0.0058 -0.3028 0.0653 323 LEU B C 2471 O O . LEU A 305 ? 1.2343 0.7417 1.1124 0.0206 -0.2921 0.0494 323 LEU B O 2472 C CB . LEU A 305 ? 1.2619 0.6587 1.0712 0.0046 -0.3384 0.0434 323 LEU B CB 2473 C CG . LEU A 305 ? 1.2729 0.6259 1.0639 0.0008 -0.3588 0.0530 323 LEU B CG 2474 C CD1 . LEU A 305 ? 1.2791 0.6116 1.0681 -0.0357 -0.3806 0.0779 323 LEU B CD1 2475 C CD2 . LEU A 305 ? 1.2978 0.5871 1.0434 0.0267 -0.3747 0.0331 323 LEU B CD2 2476 N N . TYR A 306 ? 1.1458 0.6755 1.0506 -0.0285 -0.3013 0.0882 324 TYR B N 2477 C CA . TYR A 306 ? 1.0938 0.6552 1.0199 -0.0236 -0.2886 0.0958 324 TYR B CA 2478 C C . TYR A 306 ? 1.1682 0.6839 1.0723 -0.0228 -0.3080 0.1010 324 TYR B C 2479 O O . TYR A 306 ? 1.2400 0.7140 1.1247 -0.0416 -0.3314 0.1130 324 TYR B O 2480 C CB . TYR A 306 ? 1.0315 0.6421 0.9905 -0.0463 -0.2781 0.1183 324 TYR B CB 2481 C CG . TYR A 306 ? 1.0087 0.6441 0.9843 -0.0458 -0.2696 0.1303 324 TYR B CG 2482 C CD1 . TYR A 306 ? 1.0108 0.6835 1.0033 -0.0267 -0.2478 0.1204 324 TYR B CD1 2483 C CD2 . TYR A 306 ? 1.0233 0.6446 0.9967 -0.0656 -0.2840 0.1522 324 TYR B CD2 2484 C CE1 . TYR A 306 ? 1.0096 0.7027 1.0145 -0.0261 -0.2408 0.1310 324 TYR B CE1 2485 C CE2 . TYR A 306 ? 1.0404 0.6840 1.0268 -0.0649 -0.2760 0.1634 324 TYR B CE2 2486 C CZ . TYR A 306 ? 1.0193 0.6979 1.0208 -0.0446 -0.2545 0.1522 324 TYR B CZ 2487 O OH . TYR A 306 ? 0.9878 0.6863 0.9997 -0.0437 -0.2474 0.1629 324 TYR B OH 2488 N N . ILE A 307 ? 1.1293 0.6522 1.0357 -0.0016 -0.2992 0.0926 325 ILE B N 2489 C CA . ILE A 307 ? 1.1407 0.6204 1.0253 0.0034 -0.3165 0.0957 325 ILE B CA 2490 C C . ILE A 307 ? 1.0972 0.6134 1.0057 0.0008 -0.3049 0.1090 325 ILE B C 2491 O O . ILE A 307 ? 1.0646 0.6275 0.9962 0.0141 -0.2825 0.1020 325 ILE B O 2492 C CB . ILE A 307 ? 1.1620 0.6075 1.0202 0.0359 -0.3204 0.0710 325 ILE B CB 2493 C CG1 . ILE A 307 ? 1.1870 0.5972 1.0189 0.0404 -0.3304 0.0568 325 ILE B CG1 2494 C CG2 . ILE A 307 ? 1.1966 0.5942 1.0303 0.0419 -0.3399 0.0745 325 ILE B CG2 2495 C CD1 . ILE A 307 ? 1.2432 0.6271 1.0501 0.0752 -0.3308 0.0317 325 ILE B CD1 2496 N N . ALA A 308 ? 1.1098 0.6038 1.0112 -0.0169 -0.3206 0.1286 326 ALA B N 2497 C CA . ALA A 308 ? 1.0758 0.5982 0.9947 -0.0196 -0.3120 0.1423 326 ALA B CA 2498 C C . ALA A 308 ? 1.1581 0.6301 1.0504 -0.0129 -0.3316 0.1437 326 ALA B C 2499 O O . ALA A 308 ? 1.2060 0.6241 1.0707 -0.0246 -0.3564 0.1496 326 ALA B O 2500 C CB . ALA A 308 ? 1.0201 0.5750 0.9605 -0.0499 -0.3090 0.1692 326 ALA B CB 2501 N N . VAL A 309 ? 1.1393 0.6266 1.0380 0.0057 -0.3220 0.1384 327 VAL B N 2502 C CA . VAL A 309 ? 1.1690 0.6111 1.0430 0.0168 -0.3390 0.1375 327 VAL B CA 2503 C C . VAL A 309 ? 1.1225 0.5937 1.0129 0.0123 -0.3308 0.1526 327 VAL B C 2504 O O . VAL A 309 ? 1.0689 0.5920 0.9851 0.0209 -0.3083 0.1491 327 VAL B O 2505 C CB . VAL A 309 ? 1.2090 0.6328 1.0681 0.0522 -0.3381 0.1106 327 VAL B CB 2506 C CG1 . VAL A 309 ? 1.2124 0.5918 1.0469 0.0656 -0.3554 0.1103 327 VAL B CG1 2507 C CG2 . VAL A 309 ? 1.2955 0.6870 1.1337 0.0579 -0.3468 0.0955 327 VAL B CG2 2508 N N . THR A 310 ? 1.1579 0.5933 1.0310 -0.0014 -0.3499 0.1697 328 THR B N 2509 C CA . THR A 310 ? 1.1112 0.5637 0.9925 -0.0041 -0.3459 0.1840 328 THR B CA 2510 C C . THR A 310 ? 1.1319 0.5314 0.9839 0.0126 -0.3651 0.1778 328 THR B C 2511 O O . THR A 310 ? 1.1911 0.5310 1.0125 0.0071 -0.3898 0.1795 328 THR B O 2512 C CB . THR A 310 ? 1.1007 0.5646 0.9897 -0.0382 -0.3503 0.2142 328 THR B CB 2513 O OG1 . THR A 310 ? 1.0851 0.5993 1.0013 -0.0514 -0.3326 0.2196 328 THR B OG1 2514 C CG2 . THR A 310 ? 1.0546 0.5381 0.9505 -0.0393 -0.3445 0.2284 328 THR B CG2 2515 N N . VAL A 311 ? 1.0913 0.5108 0.9512 0.0332 -0.3548 0.1708 329 VAL B N 2516 C CA . VAL A 311 ? 1.1416 0.5178 0.9769 0.0531 -0.3706 0.1639 329 VAL B CA 2517 C C . VAL A 311 ? 1.1660 0.5536 1.0059 0.0434 -0.3706 0.1832 329 VAL B C 2518 O O . VAL A 311 ? 1.1865 0.6271 1.0521 0.0452 -0.3498 0.1857 329 VAL B O 2519 C CB . VAL A 311 ? 1.1020 0.4915 0.9415 0.0892 -0.3600 0.1374 329 VAL B CB 2520 C CG1 . VAL A 311 ? 1.1513 0.4947 0.9644 0.1112 -0.3779 0.1308 329 VAL B CG1 2521 C CG2 . VAL A 311 ? 1.1221 0.5067 0.9583 0.0984 -0.3571 0.1191 329 VAL B CG2 2522 N N . ILE A 312 ? 1.1787 0.5143 0.9914 0.0333 -0.3945 0.1966 330 ILE B N 2523 C CA . ILE A 312 ? 1.1796 0.5188 0.9916 0.0216 -0.3976 0.2173 330 ILE B CA 2524 C C . ILE A 312 ? 1.2624 0.5585 1.0498 0.0462 -0.4132 0.2077 330 ILE B C 2525 O O . ILE A 312 ? 1.3463 0.5947 1.1054 0.0437 -0.4311 0.2033 330 ILE B O 2526 C CB . ILE A 312 ? 1.3009 0.6190 1.1028 -0.0148 -0.4128 0.2455 330 ILE B CB 2527 C CG1 . ILE A 312 ? 1.2775 0.6394 1.1045 -0.0370 -0.3981 0.2542 330 ILE B CG1 2528 C CG2 . ILE A 312 ? 1.3130 0.6445 1.1161 -0.0268 -0.4114 0.2655 330 ILE B CG2 2529 C CD1 . ILE A 312 ? 1.3221 0.6710 1.1432 -0.0742 -0.4122 0.2825 330 ILE B CD1 2530 N N . GLU A 313 ? 1.2562 0.5863 1.0586 0.0679 -0.3987 0.1982 331 GLU B N 2531 C CA . GLU A 313 ? 1.3431 0.6441 1.1272 0.0921 -0.4098 0.1883 331 GLU B CA 2532 C C . GLU A 313 ? 1.4882 0.7642 1.2539 0.0726 -0.4225 0.2061 331 GLU B C 2533 O O . GLU A 313 ? 1.5185 0.8167 1.2944 0.0480 -0.4174 0.2289 331 GLU B O 2534 C CB . GLU A 313 ? 1.2924 0.6415 1.1001 0.1151 -0.3916 0.1780 331 GLU B CB 2535 C CG . GLU A 313 ? 1.4037 0.7329 1.1976 0.1401 -0.4009 0.1690 331 GLU B CG 2536 C CD . GLU A 313 ? 1.4745 0.8305 1.2786 0.1364 -0.3949 0.1827 331 GLU B CD 2537 O OE1 . GLU A 313 ? 1.4435 0.8275 1.2604 0.1119 -0.3850 0.2009 331 GLU B OE1 2538 O OE2 . GLU A 313 ? 1.5586 0.9138 1.3588 0.1573 -0.3971 0.1737 331 GLU B OE2 2539 N N . SER A 314 ? 1.5702 0.8010 1.3081 0.0842 -0.4386 0.1958 332 SER B N 2540 C CA . SER A 314 ? 1.6620 0.8594 1.3776 0.0635 -0.4546 0.2114 332 SER B CA 2541 C C . SER A 314 ? 1.6803 0.8911 1.3982 0.0681 -0.4519 0.2204 332 SER B C 2542 O O . SER A 314 ? 1.6720 0.8755 1.3820 0.0436 -0.4582 0.2409 332 SER B O 2543 C CB . SER A 314 ? 1.7197 0.8577 1.4005 0.0726 -0.4756 0.1968 332 SER B CB 2544 O OG . SER A 314 ? 1.7389 0.8579 1.4117 0.0613 -0.4819 0.1926 332 SER B OG 2545 N N . THR A 315 ? 1.7011 0.9326 1.4293 0.0980 -0.4429 0.2060 333 THR B N 2546 C CA . THR A 315 ? 1.7467 0.9880 1.4747 0.1033 -0.4420 0.2134 333 THR B CA 2547 C C . THR A 315 ? 1.7316 1.0155 1.4795 0.0823 -0.4282 0.2356 333 THR B C 2548 O O . THR A 315 ? 1.7694 1.0464 1.5078 0.0610 -0.4330 0.2554 333 THR B O 2549 C CB . THR A 315 ? 1.7310 0.9883 1.4673 0.1400 -0.4360 0.1925 333 THR B CB 2550 O OG1 . THR A 315 ? 1.6303 0.9398 1.3973 0.1476 -0.4170 0.1894 333 THR B OG1 2551 C CG2 . THR A 315 ? 1.7858 1.0108 1.5061 0.1631 -0.4451 0.1695 333 THR B CG2 2552 N N . GLY A 316 ? 1.6678 0.9966 1.4422 0.0885 -0.4108 0.2326 334 GLY B N 2553 C CA . GLY A 316 ? 1.5781 0.9495 1.3705 0.0720 -0.3963 0.2516 334 GLY B CA 2554 C C . GLY A 316 ? 1.5389 0.9236 1.3399 0.0430 -0.3911 0.2685 334 GLY B C 2555 O O . GLY A 316 ? 1.5870 1.0097 1.4022 0.0288 -0.3778 0.2855 334 GLY B O 2556 N N . GLY A 317 ? 1.5548 0.9111 1.3471 0.0340 -0.4008 0.2643 335 GLY B N 2557 C CA . GLY A 317 ? 1.5124 0.8829 1.3139 0.0051 -0.3970 0.2811 335 GLY B CA 2558 C C . GLY A 317 ? 1.3930 0.8140 1.2237 0.0074 -0.3753 0.2751 335 GLY B C 2559 O O . GLY A 317 ? 1.3500 0.7917 1.1921 -0.0160 -0.3688 0.2884 335 GLY B O 2560 N N . PHE A 318 ? 1.3281 0.7768 1.1734 0.0337 -0.3607 0.2528 336 PHE B N 2561 C CA . PHE A 318 ? 1.3274 0.8312 1.2014 0.0352 -0.3359 0.2436 336 PHE B CA 2562 C C . PHE A 318 ? 1.3164 0.8103 1.1931 0.0336 -0.3376 0.2319 336 PHE B C 2563 O O . PHE A 318 ? 1.3550 0.8023 1.2123 0.0434 -0.3552 0.2210 336 PHE B O 2564 C CB . PHE A 318 ? 1.4077 0.9421 1.2951 0.0619 -0.3220 0.2247 336 PHE B CB 2565 C CG . PHE A 318 ? 1.4804 1.0357 1.3691 0.0617 -0.3157 0.2360 336 PHE B CG 2566 C CD1 . PHE A 318 ? 1.5108 1.0815 1.3996 0.0384 -0.3107 0.2601 336 PHE B CD1 2567 C CD2 . PHE A 318 ? 1.5143 1.0752 1.4035 0.0850 -0.3151 0.2232 336 PHE B CD2 2568 C CE1 . PHE A 318 ? 1.5461 1.1346 1.4328 0.0393 -0.3047 0.2702 336 PHE B CE1 2569 C CE2 . PHE A 318 ? 1.5490 1.1266 1.4368 0.0846 -0.3105 0.2334 336 PHE B CE2 2570 C CZ . PHE A 318 ? 1.5600 1.1500 1.4453 0.0621 -0.3051 0.2564 336 PHE B CZ 2571 N N . SER A 319 ? 1.2192 0.7563 1.1183 0.0222 -0.3193 0.2340 337 SER B N 2572 C CA . SER A 319 ? 1.1761 0.7087 1.0792 0.0165 -0.3196 0.2262 337 SER B CA 2573 C C . SER A 319 ? 1.0804 0.6599 1.0078 0.0305 -0.2967 0.2080 337 SER B C 2574 O O . SER A 319 ? 1.0242 0.6490 0.9697 0.0310 -0.2779 0.2112 337 SER B O 2575 C CB . SER A 319 ? 1.1980 0.7347 1.1037 -0.0158 -0.3228 0.2503 337 SER B CB 2576 O OG . SER A 319 ? 1.2594 0.7863 1.1661 -0.0224 -0.3265 0.2434 337 SER B OG 2577 N N . GLU A 320 ? 1.0564 0.6229 0.9819 0.0420 -0.2988 0.1892 338 GLU B N 2578 C CA . GLU A 320 ? 1.0463 0.6535 0.9929 0.0540 -0.2788 0.1720 338 GLU B CA 2579 C C . GLU A 320 ? 1.0636 0.6581 1.0079 0.0476 -0.2822 0.1653 338 GLU B C 2580 O O . GLU A 320 ? 1.1525 0.6981 1.0742 0.0470 -0.3018 0.1631 338 GLU B O 2581 C CB . GLU A 320 ? 1.0733 0.6846 1.0209 0.0837 -0.2753 0.1509 338 GLU B CB 2582 C CG . GLU A 320 ? 1.0957 0.7610 1.0685 0.0922 -0.2522 0.1407 338 GLU B CG 2583 C CD . GLU A 320 ? 1.1614 0.8597 1.1455 0.0833 -0.2406 0.1547 338 GLU B CD 2584 O OE1 . GLU A 320 ? 1.2160 0.8992 1.1893 0.0835 -0.2494 0.1645 338 GLU B OE1 2585 O OE2 . GLU A 320 ? 1.1729 0.9106 1.1745 0.0768 -0.2231 0.1557 338 GLU B OE2 2586 N N . GLU A 321 ? 1.0185 0.6544 0.9840 0.0431 -0.2640 0.1619 339 GLU B N 2587 C CA . GLU A 321 ? 1.0454 0.6751 1.0110 0.0343 -0.2655 0.1576 339 GLU B CA 2588 C C . GLU A 321 ? 0.9786 0.6236 0.9513 0.0552 -0.2542 0.1334 339 GLU B C 2589 O O . GLU A 321 ? 0.9774 0.6522 0.9628 0.0717 -0.2405 0.1229 339 GLU B O 2590 C CB . GLU A 321 ? 1.0778 0.7427 1.0617 0.0104 -0.2547 0.1752 339 GLU B CB 2591 C CG . GLU A 321 ? 1.2445 0.8897 1.2197 -0.0155 -0.2695 0.2003 339 GLU B CG 2592 C CD . GLU A 321 ? 1.3375 1.0215 1.3325 -0.0371 -0.2585 0.2169 339 GLU B CD 2593 O OE1 . GLU A 321 ? 1.3326 1.0640 1.3476 -0.0325 -0.2372 0.2167 339 GLU B OE1 2594 O OE2 . GLU A 321 ? 1.4316 1.0981 1.4213 -0.0582 -0.2718 0.2302 339 GLU B OE2 2595 N N . ALA A 322 ? 0.9314 0.5555 0.8950 0.0533 -0.2608 0.1254 340 ALA B N 2596 C CA . ALA A 322 ? 0.9316 0.5707 0.9009 0.0701 -0.2500 0.1043 340 ALA B CA 2597 C C . ALA A 322 ? 0.9548 0.5822 0.9193 0.0557 -0.2544 0.1049 340 ALA B C 2598 O O . ALA A 322 ? 1.0286 0.6235 0.9791 0.0373 -0.2712 0.1182 340 ALA B O 2599 C CB . ALA A 322 ? 0.9320 0.5436 0.8842 0.0979 -0.2579 0.0854 340 ALA B CB 2600 N N . GLU A 323 ? 0.9204 0.5745 0.8964 0.0632 -0.2401 0.0914 341 GLU B N 2601 C CA . GLU A 323 ? 0.9722 0.6192 0.9451 0.0498 -0.2430 0.0917 341 GLU B CA 2602 C C . GLU A 323 ? 0.9194 0.5745 0.8912 0.0680 -0.2338 0.0698 341 GLU B C 2603 O O . GLU A 323 ? 0.8655 0.5542 0.8517 0.0841 -0.2177 0.0589 341 GLU B O 2604 C CB . GLU A 323 ? 1.0208 0.7074 1.0170 0.0272 -0.2315 0.1086 341 GLU B CB 2605 C CG . GLU A 323 ? 1.0384 0.7783 1.0596 0.0350 -0.2077 0.1044 341 GLU B CG 2606 C CD . GLU A 323 ? 1.0495 0.8248 1.0897 0.0173 -0.1962 0.1162 341 GLU B CD 2607 O OE1 . GLU A 323 ? 1.0004 0.8063 1.0534 0.0238 -0.1804 0.1065 341 GLU B OE1 2608 O OE2 . GLU A 323 ? 1.0883 0.8615 1.1303 -0.0029 -0.2032 0.1359 341 GLU B OE2 2609 N N . ILE A 324 ? 0.9747 0.5981 0.9281 0.0644 -0.2451 0.0644 342 ILE B N 2610 C CA . ILE A 324 ? 0.9519 0.5853 0.9043 0.0757 -0.2360 0.0471 342 ILE B CA 2611 C C . ILE A 324 ? 0.9777 0.6320 0.9435 0.0530 -0.2308 0.0571 342 ILE B C 2612 O O . ILE A 324 ? 1.0641 0.6910 1.0191 0.0333 -0.2465 0.0693 342 ILE B O 2613 C CB . ILE A 324 ? 0.9670 0.5480 0.8853 0.0908 -0.2524 0.0322 342 ILE B CB 2614 C CG1 . ILE A 324 ? 0.9263 0.4947 0.8339 0.1189 -0.2540 0.0197 342 ILE B CG1 2615 C CG2 . ILE A 324 ? 0.9788 0.5684 0.8940 0.0966 -0.2443 0.0181 342 ILE B CG2 2616 C CD1 . ILE A 324 ? 0.9876 0.5084 0.8605 0.1401 -0.2672 0.0022 342 ILE B CD1 2617 N N . PRO A 325 ? 0.9414 0.6429 0.9301 0.0544 -0.2103 0.0534 343 PRO B N 2618 C CA . PRO A 325 ? 0.9288 0.6532 0.9321 0.0334 -0.2049 0.0648 343 PRO B CA 2619 C C . PRO A 325 ? 0.9961 0.6908 0.9816 0.0253 -0.2173 0.0613 343 PRO B C 2620 O O . PRO A 325 ? 1.0615 0.7526 1.0498 0.0027 -0.2258 0.0769 343 PRO B O 2621 C CB . PRO A 325 ? 0.8294 0.6029 0.8547 0.0422 -0.1817 0.0570 343 PRO B CB 2622 C CG . PRO A 325 ? 0.8105 0.5935 0.8392 0.0606 -0.1754 0.0497 343 PRO B CG 2623 C CD . PRO A 325 ? 0.8634 0.6008 0.8668 0.0736 -0.1919 0.0411 343 PRO B CD 2624 N N . GLY A 326 ? 0.9697 0.6441 0.9366 0.0432 -0.2188 0.0417 344 GLY B N 2625 C CA . GLY A 326 ? 0.9553 0.5976 0.9011 0.0366 -0.2315 0.0373 344 GLY B CA 2626 C C . GLY A 326 ? 0.9491 0.5674 0.8704 0.0610 -0.2324 0.0145 344 GLY B C 2627 O O . GLY A 326 ? 0.9198 0.5686 0.8511 0.0796 -0.2149 0.0015 344 GLY B O 2628 N N . ILE A 327 ? 0.9740 0.5374 0.8618 0.0611 -0.2534 0.0100 345 ILE B N 2629 C CA . ILE A 327 ? 1.0043 0.5395 0.8630 0.0842 -0.2560 -0.0115 345 ILE B CA 2630 C C . ILE A 327 ? 1.0820 0.6021 0.9277 0.0703 -0.2629 -0.0121 345 ILE B C 2631 O O . ILE A 327 ? 1.1681 0.6500 0.9975 0.0505 -0.2841 -0.0016 345 ILE B O 2632 C CB . ILE A 327 ? 1.0454 0.5221 0.8690 0.0994 -0.2761 -0.0184 345 ILE B CB 2633 C CG1 . ILE A 327 ? 1.0368 0.5305 0.8744 0.1136 -0.2694 -0.0174 345 ILE B CG1 2634 C CG2 . ILE A 327 ? 1.0943 0.5404 0.8843 0.1250 -0.2790 -0.0408 345 ILE B CG2 2635 C CD1 . ILE A 327 ? 1.0981 0.5341 0.9021 0.1282 -0.2900 -0.0223 345 ILE B CD1 2636 N N . LYS A 328 ? 1.0876 0.6378 0.9404 0.0792 -0.2461 -0.0235 346 LYS B N 2637 C CA . LYS A 328 ? 1.1176 0.6595 0.9609 0.0656 -0.2507 -0.0236 346 LYS B CA 2638 C C . LYS A 328 ? 1.1625 0.6382 0.9592 0.0726 -0.2731 -0.0344 346 LYS B C 2639 O O . LYS A 328 ? 1.1779 0.6326 0.9499 0.1003 -0.2722 -0.0528 346 LYS B O 2640 C CB . LYS A 328 ? 1.1083 0.6954 0.9668 0.0756 -0.2275 -0.0341 346 LYS B CB 2641 C CG . LYS A 328 ? 1.1909 0.7671 1.0357 0.0651 -0.2321 -0.0367 346 LYS B CG 2642 C CD . LYS A 328 ? 1.1942 0.8090 1.0479 0.0778 -0.2102 -0.0488 346 LYS B CD 2643 C CE . LYS A 328 ? 1.1786 0.8529 1.0737 0.0673 -0.1905 -0.0380 346 LYS B CE 2644 N NZ . LYS A 328 ? 1.1742 0.8836 1.0765 0.0773 -0.1710 -0.0485 346 LYS B NZ 2645 N N . TYR A 329 ? 1.1718 0.6147 0.9555 0.0479 -0.2939 -0.0226 347 TYR B N 2646 C CA . TYR A 329 ? 1.2296 0.6087 0.9667 0.0515 -0.3161 -0.0329 347 TYR B CA 2647 C C . TYR A 329 ? 1.2414 0.6322 0.9689 0.0626 -0.3044 -0.0483 347 TYR B C 2648 O O . TYR A 329 ? 1.1935 0.6252 0.9464 0.0477 -0.2927 -0.0412 347 TYR B O 2649 C CB . TYR A 329 ? 1.2218 0.5668 0.9502 0.0184 -0.3421 -0.0140 347 TYR B CB 2650 C CG . TYR A 329 ? 1.2722 0.5875 0.9960 0.0082 -0.3600 -0.0003 347 TYR B CG 2651 C CD1 . TYR A 329 ? 1.3650 0.6099 1.0435 0.0194 -0.3834 -0.0091 347 TYR B CD1 2652 C CD2 . TYR A 329 ? 1.2388 0.5946 1.0011 -0.0121 -0.3539 0.0215 347 TYR B CD2 2653 C CE1 . TYR A 329 ? 1.4094 0.6245 1.0818 0.0091 -0.4010 0.0042 347 TYR B CE1 2654 C CE2 . TYR A 329 ? 1.2511 0.5805 1.0085 -0.0223 -0.3702 0.0351 347 TYR B CE2 2655 C CZ . TYR A 329 ? 1.3633 0.6221 1.0761 -0.0126 -0.3940 0.0268 347 TYR B CZ 2656 O OH . TYR A 329 ? 1.4470 0.6772 1.1532 -0.0236 -0.4112 0.0410 347 TYR B OH 2657 N N . VAL A 330 ? 1.2989 0.6541 0.9886 0.0902 -0.3074 -0.0692 348 VAL B N 2658 C CA . VAL A 330 ? 1.3232 0.6897 1.0003 0.1054 -0.2947 -0.0855 348 VAL B CA 2659 C C . VAL A 330 ? 1.4361 0.7339 1.0613 0.1055 -0.3191 -0.0943 348 VAL B C 2660 O O . VAL A 330 ? 1.5079 0.7479 1.0939 0.1207 -0.3370 -0.1032 348 VAL B O 2661 C CB . VAL A 330 ? 1.3462 0.7395 1.0250 0.1409 -0.2732 -0.1030 348 VAL B CB 2662 C CG1 . VAL A 330 ? 1.4044 0.7949 1.0579 0.1591 -0.2649 -0.1209 348 VAL B CG1 2663 C CG2 . VAL A 330 ? 1.2757 0.7413 1.0061 0.1372 -0.2481 -0.0944 348 VAL B CG2 2664 N N . LEU A 331 ? 1.4175 0.7191 1.0404 0.0889 -0.3211 -0.0917 349 LEU B N 2665 C CA . LEU A 331 ? 1.4123 0.6490 0.9854 0.0861 -0.3453 -0.0991 349 LEU B CA 2666 C C . LEU A 331 ? 1.4098 0.6315 0.9467 0.1198 -0.3361 -0.1241 349 LEU B C 2667 O O . LEU A 331 ? 1.4891 0.6440 0.9729 0.1318 -0.3564 -0.1364 349 LEU B O 2668 C CB . LEU A 331 ? 1.3650 0.6126 0.9515 0.0525 -0.3530 -0.0841 349 LEU B CB 2669 C CG . LEU A 331 ? 1.4183 0.6018 0.9598 0.0385 -0.3823 -0.0853 349 LEU B CG 2670 C CD1 . LEU A 331 ? 1.4294 0.6085 0.9437 0.0555 -0.3738 -0.1038 349 LEU B CD1 2671 C CD2 . LEU A 331 ? 1.5147 0.6201 1.0094 0.0444 -0.4111 -0.0900 349 LEU B CD2 2672 N N . SER A 332 ? 1.3483 0.6299 0.9108 0.1355 -0.3063 -0.1313 350 SER B N 2673 C CA . SER A 332 ? 1.3816 0.6594 0.9142 0.1674 -0.2943 -0.1532 350 SER B CA 2674 C C . SER A 332 ? 1.3188 0.6514 0.8791 0.1932 -0.2667 -0.1599 350 SER B C 2675 O O . SER A 332 ? 1.2499 0.6452 0.8593 0.1813 -0.2476 -0.1488 350 SER B O 2676 C CB . SER A 332 ? 1.3959 0.6925 0.9273 0.1572 -0.2866 -0.1547 350 SER B CB 2677 O OG . SER A 332 ? 1.4460 0.7524 0.9555 0.1886 -0.2697 -0.1741 350 SER B OG 2678 N N . PRO A 333 ? 1.3632 0.6750 0.8932 0.2289 -0.2643 -0.1777 351 PRO B N 2679 C CA . PRO A 333 ? 1.3431 0.7110 0.9007 0.2537 -0.2384 -0.1833 351 PRO B CA 2680 C C . PRO A 333 ? 1.3251 0.7593 0.9098 0.2550 -0.2107 -0.1849 351 PRO B C 2681 O O . PRO A 333 ? 1.2644 0.7533 0.8797 0.2688 -0.1890 -0.1857 351 PRO B O 2682 C CB . PRO A 333 ? 1.4171 0.7416 0.9277 0.2931 -0.2445 -0.2030 351 PRO B CB 2683 C CG . PRO A 333 ? 1.5028 0.7416 0.9660 0.2844 -0.2780 -0.2038 351 PRO B CG 2684 C CD . PRO A 333 ? 1.4573 0.6915 0.9255 0.2485 -0.2867 -0.1925 351 PRO B CD 2685 N N . TYR A 334 ? 1.3829 0.8136 0.9574 0.2400 -0.2117 -0.1844 352 TYR B N 2686 C CA . TYR A 334 ? 1.3777 0.8650 0.9716 0.2417 -0.1870 -0.1865 352 TYR B CA 2687 C C . TYR A 334 ? 1.4129 0.9239 1.0359 0.2058 -0.1865 -0.1705 352 TYR B C 2688 O O . TYR A 334 ? 1.3859 0.8608 1.0017 0.1820 -0.2073 -0.1611 352 TYR B O 2689 C CB . TYR A 334 ? 1.4090 0.8727 0.9566 0.2653 -0.1851 -0.2045 352 TYR B CB 2690 C CG . TYR A 334 ? 1.4860 0.9237 0.9994 0.3046 -0.1859 -0.2215 352 TYR B CG 2691 C CD1 . TYR A 334 ? 1.4651 0.9533 1.0028 0.3284 -0.1647 -0.2251 352 TYR B CD1 2692 C CD2 . TYR A 334 ? 1.5787 0.9405 1.0342 0.3187 -0.2086 -0.2338 352 TYR B CD2 2693 C CE1 . TYR A 334 ? 1.5354 1.0028 1.0427 0.3667 -0.1650 -0.2403 352 TYR B CE1 2694 C CE2 . TYR A 334 ? 1.6429 0.9787 1.0642 0.3577 -0.2094 -0.2501 352 TYR B CE2 2695 C CZ . TYR A 334 ? 1.6256 1.0161 1.0740 0.3824 -0.1870 -0.2532 352 TYR B CZ 2696 O OH . TYR A 334 ? 1.6678 1.0353 1.0831 0.4233 -0.1876 -0.2689 352 TYR B OH 2697 N N . LYS A 335 ? 1.4991 1.0721 1.1551 0.2024 -0.1629 -0.1670 353 LYS B N 2698 C CA . LYS A 335 ? 1.4637 1.0646 1.1455 0.1737 -0.1586 -0.1539 353 LYS B CA 2699 C C . LYS A 335 ? 1.3879 1.0212 1.0651 0.1823 -0.1397 -0.1616 353 LYS B C 2700 O O . LYS A 335 ? 1.4020 1.0687 1.0839 0.2044 -0.1212 -0.1698 353 LYS B O 2701 C CB . LYS A 335 ? 1.4593 1.1061 1.1919 0.1567 -0.1492 -0.1380 353 LYS B CB 2702 C CG . LYS A 335 ? 1.5240 1.1434 1.2641 0.1441 -0.1672 -0.1273 353 LYS B CG 2703 C CD . LYS A 335 ? 1.4678 1.1340 1.2550 0.1321 -0.1557 -0.1133 353 LYS B CD 2704 C CE . LYS A 335 ? 1.4320 1.1335 1.2338 0.1548 -0.1378 -0.1204 353 LYS B CE 2705 N NZ . LYS A 335 ? 1.3550 1.0954 1.1980 0.1436 -0.1292 -0.1073 353 LYS B NZ 2706 N N . LEU A 336 ? 1.2816 0.9062 0.9498 0.1644 -0.1449 -0.1580 354 LEU B N 2707 C CA . LEU A 336 ? 1.2133 0.8599 0.8702 0.1708 -0.1302 -0.1650 354 LEU B CA 2708 C C . LEU A 336 ? 1.1109 0.8084 0.8071 0.1489 -0.1163 -0.1516 354 LEU B C 2709 O O . LEU A 336 ? 1.0881 0.7878 0.8081 0.1247 -0.1246 -0.1374 354 LEU B O 2710 C CB . LEU A 336 ? 1.2060 0.8001 0.8160 0.1695 -0.1472 -0.1727 354 LEU B CB 2711 C CG . LEU A 336 ? 1.2170 0.7702 0.7756 0.2004 -0.1516 -0.1921 354 LEU B CG 2712 C CD1 . LEU A 336 ? 1.2457 0.7918 0.8045 0.2228 -0.1517 -0.1981 354 LEU B CD1 2713 C CD2 . LEU A 336 ? 1.2459 0.7304 0.7595 0.1922 -0.1786 -0.1959 354 LEU B CD2 2714 N N . ASN A 337 ? 1.0662 0.8047 0.7677 0.1581 -0.0954 -0.1559 355 ASN B N 2715 C CA . ASN A 337 ? 1.0521 0.8347 0.7846 0.1389 -0.0826 -0.1445 355 ASN B CA 2716 C C . ASN A 337 ? 1.0753 0.8815 0.7927 0.1492 -0.0664 -0.1520 355 ASN B C 2717 O O . ASN A 337 ? 1.0859 0.9003 0.7876 0.1738 -0.0562 -0.1634 355 ASN B O 2718 C CB . ASN A 337 ? 0.9940 0.8205 0.7706 0.1342 -0.0708 -0.1348 355 ASN B CB 2719 C CG . ASN A 337 ? 1.0773 0.9325 0.8583 0.1583 -0.0553 -0.1431 355 ASN B CG 2720 O OD1 . ASN A 337 ? 1.1647 1.0035 0.9407 0.1736 -0.0609 -0.1483 355 ASN B OD1 2721 N ND2 . ASN A 337 ? 1.0421 0.9412 0.8328 0.1614 -0.0363 -0.1433 355 ASN B ND2 2722 N N . LEU A 338 ? 1.0388 0.8574 0.7612 0.1308 -0.0638 -0.1449 356 LEU B N 2723 C CA . LEU A 338 ? 1.0487 0.8913 0.7579 0.1370 -0.0485 -0.1496 356 LEU B CA 2724 C C . LEU A 338 ? 1.0306 0.9323 0.7736 0.1376 -0.0269 -0.1439 356 LEU B C 2725 O O . LEU A 338 ? 1.0253 0.9485 0.8036 0.1255 -0.0252 -0.1334 356 LEU B O 2726 C CB . LEU A 338 ? 1.0146 0.8454 0.7143 0.1168 -0.0554 -0.1437 356 LEU B CB 2727 C CG . LEU A 338 ? 0.9842 0.7571 0.6478 0.1140 -0.0779 -0.1487 356 LEU B CG 2728 C CD1 . LEU A 338 ? 0.9502 0.7175 0.6070 0.0942 -0.0837 -0.1420 356 LEU B CD1 2729 C CD2 . LEU A 338 ? 1.0348 0.7792 0.6542 0.1407 -0.0786 -0.1661 356 LEU B CD2 2730 N N . VAL A 339 ? 1.0439 0.9718 0.7744 0.1516 -0.0109 -0.1502 357 VAL B N 2731 C CA . VAL A 339 ? 1.0123 0.9976 0.7716 0.1514 0.0091 -0.1442 357 VAL B CA 2732 C C . VAL A 339 ? 1.0298 1.0360 0.7756 0.1469 0.0208 -0.1433 357 VAL B C 2733 O O . VAL A 339 ? 1.0810 1.0749 0.7922 0.1630 0.0234 -0.1537 357 VAL B O 2734 C CB . VAL A 339 ? 1.0144 1.0220 0.7776 0.1770 0.0193 -0.1517 357 VAL B CB 2735 C CG1 . VAL A 339 ? 0.9567 1.0257 0.7436 0.1766 0.0401 -0.1455 357 VAL B CG1 2736 C CG2 . VAL A 339 ? 1.0244 1.0198 0.8082 0.1777 0.0096 -0.1494 357 VAL B CG2 2737 N N . ALA A 340 ? 0.9675 1.0032 0.7382 0.1256 0.0271 -0.1308 358 ALA B N 2738 C CA . ALA A 340 ? 0.9616 1.0226 0.7238 0.1187 0.0391 -0.1273 358 ALA B CA 2739 C C . ALA A 340 ? 1.0342 1.0583 0.7570 0.1191 0.0309 -0.1338 358 ALA B C 2740 O O . ALA A 340 ? 1.0954 1.1303 0.7938 0.1289 0.0411 -0.1389 358 ALA B O 2741 C CB . ALA A 340 ? 0.9588 1.0661 0.7239 0.1353 0.0587 -0.1299 358 ALA B CB 2742 N N . THR A 341 ? 1.0171 0.9981 0.7328 0.1084 0.0121 -0.1330 359 THR B N 2743 C CA . THR A 341 ? 1.0064 0.9496 0.6863 0.1050 0.0009 -0.1375 359 THR B CA 2744 C C . THR A 341 ? 0.9201 0.8501 0.6146 0.0792 -0.0117 -0.1256 359 THR B C 2745 O O . THR A 341 ? 0.8299 0.7325 0.5322 0.0724 -0.0278 -0.1231 359 THR B O 2746 C CB . THR A 341 ? 1.0678 0.9637 0.7146 0.1225 -0.0128 -0.1508 359 THR B CB 2747 O OG1 . THR A 341 ? 1.0971 0.9769 0.7638 0.1207 -0.0245 -0.1487 359 THR B OG1 2748 C CG2 . THR A 341 ? 1.1144 1.0225 0.7385 0.1510 0.0009 -0.1635 359 THR B CG2 2749 N N . PRO A 342 ? 0.9054 0.8557 0.6043 0.0646 -0.0050 -0.1173 360 PRO B N 2750 C CA . PRO A 342 ? 0.8790 0.8162 0.5885 0.0426 -0.0171 -0.1064 360 PRO B CA 2751 C C . PRO A 342 ? 0.8598 0.7496 0.5409 0.0405 -0.0368 -0.1108 360 PRO B C 2752 O O . PRO A 342 ? 0.8839 0.7524 0.5279 0.0517 -0.0386 -0.1213 360 PRO B O 2753 C CB . PRO A 342 ? 0.9112 0.8743 0.6189 0.0324 -0.0056 -0.0998 360 PRO B CB 2754 C CG . PRO A 342 ? 0.9030 0.9053 0.6172 0.0441 0.0141 -0.1025 360 PRO B CG 2755 C CD . PRO A 342 ? 0.9175 0.9062 0.6137 0.0674 0.0141 -0.1162 360 PRO B CD 2756 N N . LEU A 343 ? 0.8609 0.7349 0.5591 0.0261 -0.0520 -0.1022 361 LEU B N 2757 C CA . LEU A 343 ? 0.9049 0.7363 0.5809 0.0198 -0.0731 -0.1033 361 LEU B CA 2758 C C . LEU A 343 ? 0.9622 0.7882 0.6238 0.0065 -0.0777 -0.0980 361 LEU B C 2759 O O . LEU A 343 ? 0.9916 0.8015 0.6587 -0.0083 -0.0938 -0.0894 361 LEU B O 2760 C CB . LEU A 343 ? 0.8740 0.6956 0.5765 0.0094 -0.0873 -0.0944 361 LEU B CB 2761 C CG . LEU A 343 ? 0.8989 0.6896 0.5901 0.0196 -0.0990 -0.1021 361 LEU B CG 2762 C CD1 . LEU A 343 ? 0.8745 0.6757 0.5571 0.0421 -0.0842 -0.1145 361 LEU B CD1 2763 C CD2 . LEU A 343 ? 0.8858 0.6796 0.6108 0.0083 -0.1081 -0.0905 361 LEU B CD2 2764 N N . PHE A 344 ? 0.9723 0.8132 0.6156 0.0115 -0.0641 -0.1020 362 PHE B N 2765 C CA . PHE A 344 ? 0.9680 0.8047 0.5955 -0.0002 -0.0672 -0.0970 362 PHE B CA 2766 C C . PHE A 344 ? 1.0051 0.8303 0.5892 0.0124 -0.0614 -0.1088 362 PHE B C 2767 O O . PHE A 344 ? 1.0251 0.8698 0.6027 0.0283 -0.0449 -0.1164 362 PHE B O 2768 C CB . PHE A 344 ? 0.8118 0.6855 0.4666 -0.0119 -0.0548 -0.0851 362 PHE B CB 2769 C CG . PHE A 344 ? 0.7720 0.6563 0.4659 -0.0227 -0.0600 -0.0736 362 PHE B CG 2770 C CD1 . PHE A 344 ? 0.7676 0.6367 0.4686 -0.0364 -0.0762 -0.0643 362 PHE B CD1 2771 C CD2 . PHE A 344 ? 0.7396 0.6501 0.4627 -0.0183 -0.0489 -0.0719 362 PHE B CD2 2772 C CE1 . PHE A 344 ? 0.7938 0.6750 0.5297 -0.0442 -0.0799 -0.0535 362 PHE B CE1 2773 C CE2 . PHE A 344 ? 0.7058 0.6249 0.4619 -0.0268 -0.0533 -0.0617 362 PHE B CE2 2774 C CZ . PHE A 344 ? 0.7682 0.6733 0.5305 -0.0391 -0.0682 -0.0526 362 PHE B CZ 2775 N N . LEU A 345 ? 0.9289 0.7237 0.4829 0.0060 -0.0751 -0.1097 363 LEU B N 2776 C CA . LEU A 345 ? 0.9766 0.7553 0.4843 0.0179 -0.0716 -0.1209 363 LEU B CA 2777 C C . LEU A 345 ? 1.0713 0.8732 0.5733 0.0091 -0.0603 -0.1141 363 LEU B C 2778 O O . LEU A 345 ? 1.0751 0.8832 0.5953 -0.0092 -0.0662 -0.1017 363 LEU B O 2779 C CB . LEU A 345 ? 1.0238 0.7497 0.4959 0.0165 -0.0954 -0.1269 363 LEU B CB 2780 C CG . LEU A 345 ? 1.1264 0.8217 0.5998 0.0218 -0.1110 -0.1322 363 LEU B CG 2781 C CD1 . LEU A 345 ? 1.0869 0.7284 0.5228 0.0167 -0.1368 -0.1364 363 LEU B CD1 2782 C CD2 . LEU A 345 ? 1.0509 0.7512 0.5137 0.0467 -0.0974 -0.1455 363 LEU B CD2 2783 N N . LYS A 346 ? 1.0546 0.8702 0.5308 0.0228 -0.0440 -0.1218 364 LYS B N 2784 C CA . LYS A 346 ? 1.0444 0.8775 0.5065 0.0152 -0.0340 -0.1161 364 LYS B CA 2785 C C . LYS A 346 ? 1.1276 0.9279 0.5356 0.0249 -0.0396 -0.1268 364 LYS B C 2786 O O . LYS A 346 ? 1.1731 0.9717 0.5546 0.0465 -0.0301 -0.1395 364 LYS B O 2787 C CB . LYS A 346 ? 1.0011 0.8846 0.4797 0.0206 -0.0087 -0.1130 364 LYS B CB 2788 C CG . LYS A 346 ? 1.0152 0.9313 0.5432 0.0071 -0.0033 -0.1003 364 LYS B CG 2789 C CD . LYS A 346 ? 1.0467 0.9676 0.6025 0.0167 -0.0035 -0.1043 364 LYS B CD 2790 C CE . LYS A 346 ? 1.0945 1.0476 0.6958 0.0043 0.0026 -0.0921 364 LYS B CE 2791 N NZ . LYS A 346 ? 1.0726 1.0305 0.7015 0.0125 0.0019 -0.0949 364 LYS B NZ 2792 N N . PRO A 347 ? 1.1539 0.9271 0.5423 0.0112 -0.0551 -0.1226 365 PRO B N 2793 C CA . PRO A 347 ? 1.1957 0.9308 0.5291 0.0201 -0.0638 -0.1335 365 PRO B CA 2794 C C . PRO A 347 ? 1.2415 0.9990 0.5453 0.0352 -0.0417 -0.1396 365 PRO B C 2795 O O . PRO A 347 ? 1.2620 1.0542 0.5755 0.0261 -0.0273 -0.1297 365 PRO B O 2796 C CB . PRO A 347 ? 1.1398 0.8551 0.4682 -0.0014 -0.0816 -0.1234 365 PRO B CB 2797 C CG . PRO A 347 ? 1.1376 0.8673 0.5173 -0.0179 -0.0888 -0.1102 365 PRO B CG 2798 C CD . PRO A 347 ? 1.1027 0.8771 0.5178 -0.0121 -0.0669 -0.1077 365 PRO B CD 2799 N N . GLY A 348 ? 1.2505 0.9878 0.5167 0.0590 -0.0394 -0.1555 366 GLY B N 2800 C CA . GLY A 348 ? 1.2386 0.9977 0.4739 0.0776 -0.0179 -0.1624 366 GLY B CA 2801 C C . GLY A 348 ? 1.3558 1.1558 0.6112 0.0972 0.0040 -0.1666 366 GLY B C 2802 O O . GLY A 348 ? 1.4083 1.2242 0.6347 0.1183 0.0211 -0.1746 366 GLY B O 2803 N N . ILE A 349 ? 1.2814 1.1001 0.5848 0.0917 0.0041 -0.1612 367 ILE B N 2804 C CA . ILE A 349 ? 1.2517 1.1112 0.5792 0.1085 0.0234 -0.1637 367 ILE B CA 2805 C C . ILE A 349 ? 1.3081 1.1329 0.6280 0.1272 0.0117 -0.1773 367 ILE B C 2806 O O . ILE A 349 ? 1.3107 1.0992 0.6402 0.1153 -0.0101 -0.1761 367 ILE B O 2807 C CB . ILE A 349 ? 1.2068 1.1119 0.5922 0.0896 0.0319 -0.1479 367 ILE B CB 2808 C CG1 . ILE A 349 ? 1.1810 1.1218 0.5708 0.0731 0.0450 -0.1346 367 ILE B CG1 2809 C CG2 . ILE A 349 ? 1.2006 1.1416 0.6133 0.1061 0.0469 -0.1508 367 ILE B CG2 2810 C CD1 . ILE A 349 ? 1.1978 1.1156 0.5903 0.0473 0.0287 -0.1244 367 ILE B CD1 2811 N N . PRO A 350 ? 1.3569 1.1914 0.6588 0.1564 0.0248 -0.1894 368 PRO B N 2812 C CA . PRO A 350 ? 1.3332 1.1356 0.6302 0.1746 0.0138 -0.2015 368 PRO B CA 2813 C C . PRO A 350 ? 1.1978 1.0182 0.5508 0.1612 0.0103 -0.1921 368 PRO B C 2814 O O . PRO A 350 ? 1.1244 0.9985 0.5181 0.1545 0.0272 -0.1817 368 PRO B O 2815 C CB . PRO A 350 ? 1.3680 1.1945 0.6428 0.2087 0.0346 -0.2132 368 PRO B CB 2816 C CG . PRO A 350 ? 1.3727 1.2205 0.6190 0.2101 0.0494 -0.2113 368 PRO B CG 2817 C CD . PRO A 350 ? 1.3436 1.2155 0.6233 0.1754 0.0491 -0.1929 368 PRO B CD 2818 N N . TYR A 351 ? 1.2090 0.9831 0.5620 0.1567 -0.0126 -0.1954 369 TYR B N 2819 C CA . TYR A 351 ? 1.1553 0.9400 0.5578 0.1425 -0.0188 -0.1861 369 TYR B CA 2820 C C . TYR A 351 ? 1.1714 0.9590 0.5806 0.1658 -0.0143 -0.1951 369 TYR B C 2821 O O . TYR A 351 ? 1.2188 0.9592 0.5928 0.1829 -0.0276 -0.2083 369 TYR B O 2822 C CB . TYR A 351 ? 1.1179 0.8555 0.5198 0.1221 -0.0463 -0.1818 369 TYR B CB 2823 C CG . TYR A 351 ? 1.0978 0.8458 0.5488 0.1071 -0.0531 -0.1712 369 TYR B CG 2824 C CD1 . TYR A 351 ? 1.0382 0.8322 0.5347 0.0902 -0.0417 -0.1567 369 TYR B CD1 2825 C CD2 . TYR A 351 ? 1.1042 0.8139 0.5535 0.1096 -0.0717 -0.1753 369 TYR B CD2 2826 C CE1 . TYR A 351 ? 1.0043 0.8072 0.5428 0.0781 -0.0474 -0.1474 369 TYR B CE1 2827 C CE2 . TYR A 351 ? 1.0513 0.7722 0.5445 0.0960 -0.0772 -0.1648 369 TYR B CE2 2828 C CZ . TYR A 351 ? 1.0175 0.7856 0.5549 0.0811 -0.0644 -0.1512 369 TYR B CZ 2829 O OH . TYR A 351 ? 0.9940 0.7730 0.5725 0.0692 -0.0692 -0.1411 369 TYR B OH 2830 N N . PRO A 352 ? 1.1298 0.9684 0.5814 0.1672 0.0026 -0.1884 370 PRO B N 2831 C CA . PRO A 352 ? 1.1212 0.9648 0.5806 0.1901 0.0068 -0.1964 370 PRO B CA 2832 C C . PRO A 352 ? 1.0488 0.8744 0.5395 0.1780 -0.0090 -0.1912 370 PRO B C 2833 O O . PRO A 352 ? 1.0127 0.8507 0.5386 0.1524 -0.0135 -0.1776 370 PRO B O 2834 C CB . PRO A 352 ? 1.0430 0.9562 0.5325 0.1956 0.0336 -0.1901 370 PRO B CB 2835 C CG . PRO A 352 ? 1.0512 0.9926 0.5652 0.1658 0.0381 -0.1742 370 PRO B CG 2836 C CD . PRO A 352 ? 1.0850 0.9779 0.5777 0.1478 0.0175 -0.1729 370 PRO B CD 2837 N N . ILE A 353 ? 1.0783 0.8734 0.5538 0.1980 -0.0176 -0.2022 371 ILE B N 2838 C CA . ILE A 353 ? 1.1270 0.9030 0.6277 0.1900 -0.0325 -0.1982 371 ILE B CA 2839 C C . ILE A 353 ? 1.1827 0.9766 0.6924 0.2157 -0.0223 -0.2053 371 ILE B C 2840 O O . ILE A 353 ? 1.2448 1.0177 0.7167 0.2442 -0.0212 -0.2200 371 ILE B O 2841 C CB . ILE A 353 ? 1.1532 0.8596 0.6216 0.1844 -0.0608 -0.2032 371 ILE B CB 2842 C CG1 . ILE A 353 ? 1.1010 0.7923 0.5615 0.1592 -0.0716 -0.1954 371 ILE B CG1 2843 C CG2 . ILE A 353 ? 1.1308 0.8218 0.6269 0.1749 -0.0753 -0.1971 371 ILE B CG2 2844 C CD1 . ILE A 353 ? 1.1495 0.7737 0.5741 0.1531 -0.1001 -0.2000 371 ILE B CD1 2845 N N . LYS A 354 ? 1.1345 0.9659 0.6921 0.2069 -0.0152 -0.1951 372 LYS B N 2846 C CA . LYS A 354 ? 1.1328 0.9856 0.7058 0.2284 -0.0063 -0.1994 372 LYS B CA 2847 C C . LYS A 354 ? 1.1447 0.9689 0.7365 0.2189 -0.0242 -0.1953 372 LYS B C 2848 O O . LYS A 354 ? 1.0328 0.8803 0.6657 0.1971 -0.0239 -0.1819 372 LYS B O 2849 C CB . LYS A 354 ? 1.0746 0.9986 0.6874 0.2259 0.0173 -0.1902 372 LYS B CB 2850 C CG . LYS A 354 ? 1.1043 1.0630 0.7044 0.2291 0.0352 -0.1901 372 LYS B CG 2851 C CD . LYS A 354 ? 1.0813 1.1081 0.7248 0.2192 0.0547 -0.1774 372 LYS B CD 2852 C CE . LYS A 354 ? 1.1189 1.1823 0.7510 0.2192 0.0722 -0.1749 372 LYS B CE 2853 N NZ . LYS A 354 ? 1.1954 1.2615 0.7919 0.2527 0.0825 -0.1885 372 LYS B NZ 2854 N N . VAL A 355 ? 1.2612 1.0335 0.8208 0.2354 -0.0401 -0.2066 373 VAL B N 2855 C CA . VAL A 355 ? 1.2847 1.0295 0.8596 0.2280 -0.0570 -0.2025 373 VAL B CA 2856 C C . VAL A 355 ? 1.2532 1.0296 0.8519 0.2470 -0.0454 -0.2041 373 VAL B C 2857 O O . VAL A 355 ? 1.2531 1.0586 0.8447 0.2723 -0.0285 -0.2121 373 VAL B O 2858 C CB . VAL A 355 ? 1.3610 1.0312 0.8899 0.2335 -0.0826 -0.2120 373 VAL B CB 2859 C CG1 . VAL A 355 ? 1.4401 1.0816 0.9383 0.2203 -0.0922 -0.2130 373 VAL B CG1 2860 C CG2 . VAL A 355 ? 1.4240 1.0724 0.9166 0.2705 -0.0810 -0.2291 373 VAL B CG2 2861 N N . GLN A 356 ? 1.2103 0.9824 0.8379 0.2349 -0.0547 -0.1955 374 GLN B N 2862 C CA . GLN A 356 ? 1.1667 0.9704 0.8221 0.2484 -0.0451 -0.1945 374 GLN B CA 2863 C C . GLN A 356 ? 1.1337 0.8923 0.7856 0.2480 -0.0656 -0.1944 374 GLN B C 2864 O O . GLN A 356 ? 1.1105 0.8434 0.7699 0.2232 -0.0815 -0.1850 374 GLN B O 2865 C CB . GLN A 356 ? 1.1367 1.0005 0.8428 0.2291 -0.0299 -0.1799 374 GLN B CB 2866 C CG . GLN A 356 ? 1.2095 1.1167 0.9425 0.2451 -0.0159 -0.1796 374 GLN B CG 2867 C CD . GLN A 356 ? 1.2578 1.2204 1.0363 0.2252 -0.0025 -0.1654 374 GLN B CD 2868 O OE1 . GLN A 356 ? 1.2786 1.2370 1.0788 0.2005 -0.0099 -0.1542 374 GLN B OE1 2869 N NE2 . GLN A 356 ? 1.2382 1.2533 1.0302 0.2359 0.0169 -0.1653 374 GLN B NE2 2870 N N . VAL A 357 ? 1.1497 0.9002 0.7903 0.2758 -0.0652 -0.2039 375 VAL B N 2871 C CA . VAL A 357 ? 1.2191 0.9208 0.8483 0.2799 -0.0855 -0.2057 375 VAL B CA 2872 C C . VAL A 357 ? 1.2338 0.9726 0.9031 0.2832 -0.0775 -0.1988 375 VAL B C 2873 O O . VAL A 357 ? 1.2566 1.0407 0.9395 0.3032 -0.0591 -0.2025 375 VAL B O 2874 C CB . VAL A 357 ? 1.2991 0.9494 0.8744 0.3118 -0.0953 -0.2238 375 VAL B CB 2875 C CG1 . VAL A 357 ? 1.3526 0.9424 0.9109 0.3110 -0.1206 -0.2243 375 VAL B CG1 2876 C CG2 . VAL A 357 ? 1.1481 0.7690 0.6817 0.3121 -0.0995 -0.2319 375 VAL B CG2 2877 N N . LYS A 358 ? 1.2230 0.9441 0.9113 0.2632 -0.0916 -0.1880 376 LYS B N 2878 C CA . LYS A 358 ? 1.2325 0.9814 0.9556 0.2647 -0.0871 -0.1809 376 LYS B CA 2879 C C . LYS A 358 ? 1.3194 1.0136 1.0271 0.2655 -0.1098 -0.1807 376 LYS B C 2880 O O . LYS A 358 ? 1.3890 1.0293 1.0685 0.2550 -0.1297 -0.1811 376 LYS B O 2881 C CB . LYS A 358 ? 1.1521 0.9467 0.9219 0.2361 -0.0779 -0.1644 376 LYS B CB 2882 C CG . LYS A 358 ? 1.1229 0.9743 0.9110 0.2347 -0.0555 -0.1631 376 LYS B CG 2883 C CD . LYS A 358 ? 1.0429 0.9256 0.8674 0.2047 -0.0505 -0.1476 376 LYS B CD 2884 C CE . LYS A 358 ? 0.9957 0.9277 0.8328 0.2018 -0.0308 -0.1462 376 LYS B CE 2885 N NZ . LYS A 358 ? 0.9087 0.8620 0.7726 0.1733 -0.0279 -0.1325 376 LYS B NZ 2886 N N . ASP A 359 ? 1.3011 1.0089 1.0265 0.2774 -0.1077 -0.1793 377 ASP B N 2887 C CA . ASP A 359 ? 1.3234 0.9809 1.0349 0.2784 -0.1289 -0.1781 377 ASP B CA 2888 C C . ASP A 359 ? 1.2769 0.9449 1.0240 0.2473 -0.1344 -0.1598 377 ASP B C 2889 O O . ASP A 359 ? 1.2540 0.9582 1.0297 0.2248 -0.1247 -0.1494 377 ASP B O 2890 C CB . ASP A 359 ? 1.3397 0.9993 1.0449 0.3115 -0.1257 -0.1876 377 ASP B CB 2891 C CG . ASP A 359 ? 1.2887 1.0200 1.0370 0.3172 -0.1033 -0.1829 377 ASP B CG 2892 O OD1 . ASP A 359 ? 1.2220 0.9874 1.0086 0.2919 -0.0975 -0.1688 377 ASP B OD1 2893 O OD2 . ASP A 359 ? 1.2965 1.0501 1.0393 0.3475 -0.0919 -0.1931 377 ASP B OD2 2894 N N . SER A 360 ? 1.2606 0.8965 1.0047 0.2466 -0.1501 -0.1555 378 SER B N 2895 C CA . SER A 360 ? 1.1976 0.8420 0.9725 0.2185 -0.1557 -0.1377 378 SER B CA 2896 C C . SER A 360 ? 1.1161 0.8245 0.9361 0.2155 -0.1357 -0.1300 378 SER B C 2897 O O . SER A 360 ? 1.0504 0.7757 0.8982 0.1918 -0.1357 -0.1152 378 SER B O 2898 C CB . SER A 360 ? 1.2285 0.8223 0.9868 0.2193 -0.1776 -0.1346 378 SER B CB 2899 O OG . SER A 360 ? 1.3287 0.8584 1.0421 0.2210 -0.1985 -0.1416 378 SER B OG 2900 N N . LEU A 361 ? 1.0918 0.8363 0.9186 0.2388 -0.1191 -0.1391 379 LEU B N 2901 C CA . LEU A 361 ? 1.0217 0.8271 0.8888 0.2358 -0.1008 -0.1323 379 LEU B CA 2902 C C . LEU A 361 ? 1.0702 0.9195 0.9507 0.2291 -0.0828 -0.1325 379 LEU B C 2903 O O . LEU A 361 ? 1.0335 0.9340 0.9422 0.2302 -0.0669 -0.1292 379 LEU B O 2904 C CB . LEU A 361 ? 0.9750 0.7970 0.8455 0.2639 -0.0952 -0.1395 379 LEU B CB 2905 C CG . LEU A 361 ? 0.9694 0.7528 0.8300 0.2719 -0.1120 -0.1385 379 LEU B CG 2906 C CD1 . LEU A 361 ? 0.9292 0.7341 0.7935 0.3024 -0.1050 -0.1464 379 LEU B CD1 2907 C CD2 . LEU A 361 ? 0.9035 0.6898 0.7899 0.2451 -0.1178 -0.1219 379 LEU B CD2 2908 N N . ASP A 362 ? 1.1568 0.9855 1.0163 0.2211 -0.0863 -0.1356 380 ASP B N 2909 C CA . ASP A 362 ? 1.1427 1.0070 1.0099 0.2140 -0.0709 -0.1356 380 ASP B CA 2910 C C . ASP A 362 ? 1.1367 1.0399 1.0049 0.2382 -0.0535 -0.1451 380 ASP B C 2911 O O . ASP A 362 ? 1.1803 1.1330 1.0723 0.2318 -0.0373 -0.1405 380 ASP B O 2912 C CB . ASP A 362 ? 1.1305 1.0288 1.0330 0.1875 -0.0640 -0.1208 380 ASP B CB 2913 C CG . ASP A 362 ? 1.1924 1.0596 1.0933 0.1634 -0.0787 -0.1108 380 ASP B CG 2914 O OD1 . ASP A 362 ? 1.2474 1.0686 1.1279 0.1646 -0.0962 -0.1120 380 ASP B OD1 2915 O OD2 . ASP A 362 ? 1.1933 1.0821 1.1128 0.1433 -0.0733 -0.1012 380 ASP B OD2 2916 N N . GLN A 363 ? 1.1476 1.0284 0.9891 0.2664 -0.0574 -0.1577 381 GLN B N 2917 C CA . GLN A 363 ? 1.1747 1.0921 1.0144 0.2933 -0.0414 -0.1670 381 GLN B CA 2918 C C . GLN A 363 ? 1.1805 1.0733 0.9797 0.3088 -0.0412 -0.1800 381 GLN B C 2919 O O . GLN A 363 ? 1.1972 1.0303 0.9606 0.3128 -0.0585 -0.1869 381 GLN B O 2920 C CB . GLN A 363 ? 1.2477 1.1638 1.0883 0.3188 -0.0441 -0.1719 381 GLN B CB 2921 C CG . GLN A 363 ? 1.2831 1.2174 1.1592 0.3050 -0.0464 -0.1597 381 GLN B CG 2922 C CD . GLN A 363 ? 1.3790 1.2968 1.2492 0.3289 -0.0545 -0.1645 381 GLN B CD 2923 O OE1 . GLN A 363 ? 1.4398 1.3193 1.2751 0.3536 -0.0628 -0.1768 381 GLN B OE1 2924 N NE2 . GLN A 363 ? 1.3624 1.3067 1.2646 0.3223 -0.0530 -0.1550 381 GLN B NE2 2925 N N . LEU A 364 ? 1.1485 1.0866 0.9520 0.3170 -0.0224 -0.1828 382 LEU B N 2926 C CA . LEU A 364 ? 1.2181 1.1385 0.9831 0.3320 -0.0197 -0.1946 382 LEU B CA 2927 C C . LEU A 364 ? 1.2664 1.1476 0.9926 0.3675 -0.0277 -0.2101 382 LEU B C 2928 O O . LEU A 364 ? 1.2662 1.1775 0.9993 0.3942 -0.0177 -0.2147 382 LEU B O 2929 C CB . LEU A 364 ? 1.2137 1.1975 0.9936 0.3355 0.0037 -0.1931 382 LEU B CB 2930 C CG . LEU A 364 ? 1.1531 1.1725 0.9662 0.3015 0.0113 -0.1785 382 LEU B CG 2931 C CD1 . LEU A 364 ? 1.1316 1.2110 0.9560 0.3053 0.0331 -0.1766 382 LEU B CD1 2932 C CD2 . LEU A 364 ? 1.1587 1.1336 0.9539 0.2783 -0.0020 -0.1764 382 LEU B CD2 2933 N N . VAL A 365 ? 1.2895 1.1027 0.9739 0.3684 -0.0467 -0.2179 383 VAL B N 2934 C CA . VAL A 365 ? 1.3402 1.1043 0.9792 0.4019 -0.0574 -0.2336 383 VAL B CA 2935 C C . VAL A 365 ? 1.3410 1.1079 0.9445 0.4245 -0.0465 -0.2466 383 VAL B C 2936 O O . VAL A 365 ? 1.3510 1.1138 0.9442 0.4072 -0.0452 -0.2452 383 VAL B O 2937 C CB . VAL A 365 ? 1.3846 1.0689 0.9934 0.3898 -0.0862 -0.2347 383 VAL B CB 2938 C CG1 . VAL A 365 ? 1.4514 1.0832 1.0165 0.4249 -0.0993 -0.2497 383 VAL B CG1 2939 C CG2 . VAL A 365 ? 1.3676 1.0560 1.0148 0.3593 -0.0949 -0.2184 383 VAL B CG2 2940 N N . GLY A 366 ? 1.3547 1.1288 0.9384 0.4643 -0.0388 -0.2590 384 GLY B N 2941 C CA . GLY A 366 ? 1.3883 1.1733 0.9395 0.4904 -0.0253 -0.2711 384 GLY B CA 2942 C C . GLY A 366 ? 1.4654 1.1717 0.9505 0.5161 -0.0430 -0.2888 384 GLY B C 2943 O O . GLY A 366 ? 1.4836 1.1291 0.9478 0.5199 -0.0653 -0.2928 384 GLY B O 2944 N N . GLY A 367 ? 1.5048 1.2117 0.9548 0.5334 -0.0332 -0.2992 385 GLY B N 2945 C CA . GLY A 367 ? 1.5829 1.2230 0.9742 0.5516 -0.0493 -0.3105 385 GLY B CA 2946 C C . GLY A 367 ? 1.5608 1.1155 0.9171 0.5301 -0.0789 -0.3137 385 GLY B C 2947 O O . GLY A 367 ? 1.6648 1.1560 0.9779 0.5408 -0.0990 -0.3194 385 GLY B O 2948 N N . VAL A 368 ? 1.5227 1.0830 0.9063 0.4909 -0.0832 -0.3023 386 VAL B N 2949 C CA . VAL A 368 ? 1.5424 1.0327 0.9053 0.4620 -0.1119 -0.2987 386 VAL B CA 2950 C C . VAL A 368 ? 1.5399 1.0064 0.8654 0.4551 -0.1144 -0.3044 386 VAL B C 2951 O O . VAL A 368 ? 1.4718 0.9902 0.8250 0.4366 -0.0974 -0.2958 386 VAL B O 2952 C CB . VAL A 368 ? 1.5212 1.0373 0.9402 0.4198 -0.1156 -0.2783 386 VAL B CB 2953 C CG1 . VAL A 368 ? 1.5601 1.0081 0.9587 0.3904 -0.1453 -0.2732 386 VAL B CG1 2954 C CG2 . VAL A 368 ? 1.5087 1.0521 0.9643 0.4274 -0.1116 -0.2727 386 VAL B CG2 2955 N N . PRO A 369 ? 1.6056 0.9939 0.8676 0.4689 -0.1356 -0.3183 387 PRO B N 2956 C CA . PRO A 369 ? 1.6406 1.0036 0.8681 0.4579 -0.1407 -0.3215 387 PRO B CA 2957 C C . PRO A 369 ? 1.6335 0.9874 0.8853 0.4104 -0.1550 -0.3059 387 PRO B C 2958 O O . PRO A 369 ? 1.6273 0.9549 0.8964 0.3879 -0.1743 -0.2960 387 PRO B O 2959 C CB . PRO A 369 ? 1.7251 1.0181 0.8991 0.4727 -0.1629 -0.3274 387 PRO B CB 2960 C CG . PRO A 369 ? 1.7485 1.0480 0.9284 0.5009 -0.1604 -0.3294 387 PRO B CG 2961 C CD . PRO A 369 ? 1.6444 0.9810 0.8768 0.4879 -0.1541 -0.3219 387 PRO B CD 2962 N N . VAL A 370 ? 1.6217 1.0015 0.8768 0.3947 -0.1450 -0.3021 388 VAL B N 2963 C CA . VAL A 370 ? 1.5882 0.9673 0.8675 0.3510 -0.1561 -0.2864 388 VAL B CA 2964 C C . VAL A 370 ? 1.6570 0.9943 0.8868 0.3471 -0.1668 -0.2937 388 VAL B C 2965 O O . VAL A 370 ? 1.7199 1.0764 0.9262 0.3682 -0.1494 -0.3037 388 VAL B O 2966 C CB . VAL A 370 ? 1.5293 0.9926 0.8737 0.3301 -0.1316 -0.2703 388 VAL B CB 2967 C CG1 . VAL A 370 ? 1.5385 0.9980 0.9051 0.2879 -0.1442 -0.2546 388 VAL B CG1 2968 C CG2 . VAL A 370 ? 1.4540 0.9585 0.8451 0.3347 -0.1212 -0.2635 388 VAL B CG2 2969 N N . THR A 371 ? 1.6439 0.9258 0.8582 0.3197 -0.1956 -0.2879 389 THR B N 2970 C CA . THR A 371 ? 1.6619 0.8995 0.8314 0.3100 -0.2107 -0.2924 389 THR B CA 2971 C C . THR A 371 ? 1.5902 0.8643 0.8017 0.2702 -0.2091 -0.2739 389 THR B C 2972 O O . THR A 371 ? 1.5852 0.8739 0.8415 0.2422 -0.2166 -0.2575 389 THR B O 2973 C CB . THR A 371 ? 1.7398 0.8843 0.8574 0.3072 -0.2476 -0.2987 389 THR B CB 2974 O OG1 . THR A 371 ? 1.6838 0.8047 0.7734 0.3424 -0.2471 -0.3093 389 THR B OG1 2975 C CG2 . THR A 371 ? 1.7821 0.8861 0.8584 0.2948 -0.2632 -0.3000 389 THR B CG2 2976 N N . LEU A 372 ? 1.5689 0.8576 0.7645 0.2690 -0.1992 -0.2766 390 LEU B N 2977 C CA . LEU A 372 ? 1.5198 0.8441 0.7501 0.2354 -0.1957 -0.2607 390 LEU B CA 2978 C C . LEU A 372 ? 1.5689 0.8366 0.7534 0.2212 -0.2197 -0.2631 390 LEU B C 2979 O O . LEU A 372 ? 1.6454 0.8835 0.7756 0.2425 -0.2194 -0.2785 390 LEU B O 2980 C CB . LEU A 372 ? 1.4482 0.8455 0.7042 0.2435 -0.1621 -0.2592 390 LEU B CB 2981 C CG . LEU A 372 ? 1.3980 0.8237 0.6737 0.2151 -0.1582 -0.2466 390 LEU B CG 2982 C CD1 . LEU A 372 ? 1.3154 0.7678 0.6491 0.1815 -0.1636 -0.2264 390 LEU B CD1 2983 C CD2 . LEU A 372 ? 1.3384 0.8235 0.6224 0.2281 -0.1272 -0.2486 390 LEU B CD2 2984 N N . ASN A 373 ? 1.5566 0.8109 0.7626 0.1858 -0.2405 -0.2475 391 ASN B N 2985 C CA . ASN A 373 ? 1.6422 0.8538 0.8168 0.1652 -0.2637 -0.2449 391 ASN B CA 2986 C C . ASN A 373 ? 1.5853 0.8504 0.8052 0.1371 -0.2537 -0.2278 391 ASN B C 2987 O O . ASN A 373 ? 1.5238 0.8489 0.8008 0.1285 -0.2353 -0.2158 391 ASN B O 2988 C CB . ASN A 373 ? 1.7596 0.9078 0.9190 0.1461 -0.3001 -0.2394 391 ASN B CB 2989 C CG . ASN A 373 ? 1.9114 0.9935 1.0156 0.1734 -0.3147 -0.2573 391 ASN B CG 2990 O OD1 . ASN A 373 ? 1.9649 1.0551 1.0493 0.2089 -0.2956 -0.2731 391 ASN B OD1 2991 N ND2 . ASN A 373 ? 1.9876 1.0062 1.0683 0.1569 -0.3488 -0.2530 391 ASN B ND2 2992 N N . ALA A 374 ? 1.6354 0.8762 0.8274 0.1234 -0.2668 -0.2269 392 ALA B N 2993 C CA . ALA A 374 ? 1.5930 0.8815 0.8225 0.0995 -0.2576 -0.2118 392 ALA B CA 2994 C C . ALA A 374 ? 1.6525 0.8985 0.8504 0.0789 -0.2835 -0.2083 392 ALA B C 2995 O O . ALA A 374 ? 1.7434 0.9345 0.8803 0.0916 -0.2971 -0.2227 392 ALA B O 2996 C CB . ALA A 374 ? 1.5531 0.8952 0.7893 0.1167 -0.2243 -0.2171 392 ALA B CB 2997 N N . GLN A 375 ? 1.6252 0.8972 0.8645 0.0480 -0.2905 -0.1889 393 GLN B N 2998 C CA . GLN A 375 ? 1.6616 0.9110 0.8829 0.0262 -0.3106 -0.1820 393 GLN B CA 2999 C C . GLN A 375 ? 1.5277 0.8341 0.7790 0.0183 -0.2894 -0.1732 393 GLN B C 3000 O O . GLN A 375 ? 1.4074 0.7715 0.7097 0.0167 -0.2674 -0.1644 393 GLN B O 3001 C CB . GLN A 375 ? 1.7774 1.0082 1.0212 -0.0047 -0.3399 -0.1646 393 GLN B CB 3002 C CG . GLN A 375 ? 1.9608 1.1261 1.1694 -0.0028 -0.3671 -0.1710 393 GLN B CG 3003 C CD . GLN A 375 ? 2.0510 1.1942 1.2734 -0.0371 -0.3997 -0.1525 393 GLN B CD 3004 O OE1 . GLN A 375 ? 2.0489 1.2218 1.3004 -0.0602 -0.4033 -0.1366 393 GLN B OE1 3005 N NE2 . GLN A 375 ? 2.1185 1.2102 1.3198 -0.0405 -0.4242 -0.1537 393 GLN B NE2 3006 N N . THR A 376 ? 1.5238 0.8108 0.7408 0.0131 -0.2975 -0.1756 394 THR B N 3007 C CA . THR A 376 ? 1.4559 0.7887 0.6927 0.0057 -0.2802 -0.1680 394 THR B CA 3008 C C . THR A 376 ? 1.4269 0.7467 0.6666 -0.0228 -0.3041 -0.1539 394 THR B C 3009 O O . THR A 376 ? 1.5003 0.7646 0.7006 -0.0304 -0.3326 -0.1569 394 THR B O 3010 C CB . THR A 376 ? 1.5280 0.8587 0.7200 0.0293 -0.2621 -0.1841 394 THR B CB 3011 O OG1 . THR A 376 ? 1.6691 0.9325 0.7946 0.0384 -0.2833 -0.1984 394 THR B OG1 3012 C CG2 . THR A 376 ? 1.4670 0.8318 0.6701 0.0559 -0.2326 -0.1938 394 THR B CG2 3013 N N . ILE A 377 ? 1.3592 0.7298 0.6450 -0.0382 -0.2933 -0.1381 395 ILE B N 3014 C CA . ILE A 377 ? 1.4193 0.7887 0.7131 -0.0633 -0.3118 -0.1235 395 ILE B CA 3015 C C . ILE A 377 ? 1.4025 0.8068 0.6986 -0.0613 -0.2919 -0.1218 395 ILE B C 3016 O O . ILE A 377 ? 1.3437 0.7984 0.6766 -0.0563 -0.2664 -0.1176 395 ILE B O 3017 C CB . ILE A 377 ? 1.4508 0.8479 0.8020 -0.0857 -0.3215 -0.1027 395 ILE B CB 3018 C CG1 . ILE A 377 ? 1.5588 0.9245 0.9098 -0.0882 -0.3395 -0.1032 395 ILE B CG1 3019 C CG2 . ILE A 377 ? 1.4188 0.8157 0.7769 -0.1099 -0.3417 -0.0874 395 ILE B CG2 3020 C CD1 . ILE A 377 ? 1.5454 0.9430 0.9540 -0.1082 -0.3461 -0.0825 395 ILE B CD1 3021 N N . ASP A 378 ? 1.4876 0.8636 0.7431 -0.0661 -0.3047 -0.1246 396 ASP B N 3022 C CA . ASP A 378 ? 1.5046 0.9069 0.7554 -0.0656 -0.2890 -0.1227 396 ASP B CA 3023 C C . ASP A 378 ? 1.4516 0.8737 0.7352 -0.0907 -0.3019 -0.1028 396 ASP B C 3024 O O . ASP A 378 ? 1.4188 0.8422 0.7339 -0.1073 -0.3196 -0.0899 396 ASP B O 3025 C CB . ASP A 378 ? 1.6090 0.9697 0.7919 -0.0526 -0.2926 -0.1387 396 ASP B CB 3026 C CG . ASP A 378 ? 1.7526 1.0538 0.8961 -0.0649 -0.3282 -0.1397 396 ASP B CG 3027 O OD1 . ASP A 378 ? 1.8053 1.1035 0.9776 -0.0870 -0.3504 -0.1252 396 ASP B OD1 3028 O OD2 . ASP A 378 ? 1.8097 1.0674 0.8921 -0.0525 -0.3344 -0.1547 396 ASP B OD2 3029 N N . VAL A 379 ? 1.4745 0.9128 0.7496 -0.0929 -0.2930 -0.0998 397 VAL B N 3030 C CA . VAL A 379 ? 1.4881 0.9471 0.7923 -0.1135 -0.3032 -0.0815 397 VAL B CA 3031 C C . VAL A 379 ? 1.6631 1.0832 0.9501 -0.1312 -0.3384 -0.0752 397 VAL B C 3032 O O . VAL A 379 ? 1.6528 1.0918 0.9749 -0.1496 -0.3515 -0.0574 397 VAL B O 3033 C CB . VAL A 379 ? 1.4072 0.8853 0.6977 -0.1106 -0.2868 -0.0812 397 VAL B CB 3034 C CG1 . VAL A 379 ? 1.5038 0.9383 0.7288 -0.1039 -0.2953 -0.0944 397 VAL B CG1 3035 C CG2 . VAL A 379 ? 1.3355 0.8402 0.6606 -0.1287 -0.2940 -0.0620 397 VAL B CG2 3036 N N . ASN A 380 ? 1.8064 1.1726 1.0396 -0.1259 -0.3547 -0.0888 398 ASN B N 3037 C CA . ASN A 380 ? 1.8962 1.2193 1.1070 -0.1436 -0.3906 -0.0837 398 ASN B CA 3038 C C . ASN A 380 ? 1.9646 1.2727 1.1958 -0.1536 -0.4100 -0.0780 398 ASN B C 3039 O O . ASN A 380 ? 2.0020 1.2691 1.2110 -0.1683 -0.4414 -0.0746 398 ASN B O 3040 C CB . ASN A 380 ? 1.9340 1.2000 1.0705 -0.1332 -0.4012 -0.1015 398 ASN B CB 3041 C CG . ASN A 380 ? 1.9377 1.2174 1.0494 -0.1224 -0.3810 -0.1075 398 ASN B CG 3042 O OD1 . ASN A 380 ? 1.9983 1.2799 1.1049 -0.1355 -0.3910 -0.0984 398 ASN B OD1 3043 N ND2 . ASN A 380 ? 1.9009 1.1918 0.9976 -0.0988 -0.3527 -0.1219 398 ASN B ND2 3044 N N . GLN A 381 ? 2.0430 1.3826 1.3151 -0.1466 -0.3926 -0.0763 399 GLN B N 3045 C CA . GLN A 381 ? 2.1836 1.5106 1.4744 -0.1536 -0.4072 -0.0719 399 GLN B CA 3046 C C . GLN A 381 ? 2.2490 1.5096 1.4820 -0.1449 -0.4249 -0.0889 399 GLN B C 3047 O O . GLN A 381 ? 2.2966 1.5333 1.5345 -0.1548 -0.4451 -0.0845 399 GLN B O 3048 C CB . GLN A 381 ? 2.2775 1.6175 1.6061 -0.1818 -0.4322 -0.0487 399 GLN B CB 3049 C CG . GLN A 381 ? 2.2931 1.6974 1.6805 -0.1892 -0.4168 -0.0308 399 GLN B CG 3050 C CD . GLN A 381 ? 2.3325 1.7537 1.7592 -0.2144 -0.4405 -0.0074 399 GLN B CD 3051 O OE1 . GLN A 381 ? 2.3655 1.7654 1.7948 -0.2260 -0.4611 -0.0022 399 GLN B OE1 3052 N NE2 . GLN A 381 ? 2.3190 1.7793 1.7763 -0.2231 -0.4381 0.0077 399 GLN B NE2 3053 N N . GLU A 382 ? 2.1580 1.3872 1.3346 -0.1262 -0.4180 -0.1079 400 GLU B N 3054 C CA . GLU A 382 ? 2.1395 1.3098 1.2651 -0.1122 -0.4288 -0.1228 400 GLU B CA 3055 C C . GLU A 382 ? 2.0803 1.2479 1.2004 -0.0900 -0.4131 -0.1381 400 GLU B C 3056 O O . GLU A 382 ? 2.0467 1.2376 1.1596 -0.0671 -0.3841 -0.1503 400 GLU B O 3057 C CB . GLU A 382 ? 2.1980 1.3445 1.2731 -0.0982 -0.4231 -0.1343 400 GLU B CB 3058 C CG . GLU A 382 ? 2.3031 1.3884 1.3308 -0.0881 -0.4386 -0.1431 400 GLU B CG 3059 C CD . GLU A 382 ? 2.3843 1.4466 1.3740 -0.0880 -0.4444 -0.1447 400 GLU B CD 3060 O OE1 . GLU A 382 ? 2.3774 1.4678 1.3858 -0.1040 -0.4450 -0.1332 400 GLU B OE1 3061 O OE2 . GLU A 382 ? 2.4577 1.4734 1.3985 -0.0713 -0.4487 -0.1571 400 GLU B OE2 3062 N N . THR A 383 ? 2.0340 1.1819 1.1674 -0.0957 -0.4280 -0.1337 401 THR B N 3063 C CA . THR A 383 ? 1.9418 1.0876 1.0750 -0.0760 -0.4151 -0.1462 401 THR B CA 3064 C C . THR A 383 ? 1.9226 1.0249 0.9993 -0.0459 -0.4087 -0.1670 401 THR B C 3065 O O . THR A 383 ? 1.9723 1.0319 1.0121 -0.0449 -0.4236 -0.1685 401 THR B O 3066 C CB . THR A 383 ? 1.9024 1.0386 1.0660 -0.0928 -0.4347 -0.1335 401 THR B CB 3067 O OG1 . THR A 383 ? 1.9846 1.0728 1.1260 -0.1038 -0.4616 -0.1260 401 THR B OG1 3068 C CG2 . THR A 383 ? 1.7865 0.9828 1.0208 -0.1167 -0.4313 -0.1095 401 THR B CG2 3069 N N . SER A 384 ? 1.8826 0.9977 0.9539 -0.0201 -0.3859 -0.1823 402 SER B N 3070 C CA . SER A 384 ? 1.9268 1.0093 0.9504 0.0125 -0.3763 -0.2016 402 SER B CA 3071 C C . SER A 384 ? 1.9204 1.0048 0.9542 0.0305 -0.3670 -0.2101 402 SER B C 3072 O O . SER A 384 ? 1.8538 0.9929 0.9344 0.0318 -0.3451 -0.2053 402 SER B O 3073 C CB . SER A 384 ? 1.9295 1.0356 0.9282 0.0330 -0.3498 -0.2136 402 SER B CB 3074 O OG . SER A 384 ? 1.9959 1.0768 0.9521 0.0663 -0.3387 -0.2311 402 SER B OG 3075 N N . ASP A 385 ? 1.9642 0.9997 0.9676 0.0448 -0.3791 -0.2171 403 ASP B N 3076 C CA . ASP A 385 ? 1.9288 0.9601 0.9371 0.0643 -0.3721 -0.2254 403 ASP B CA 3077 C C . ASP A 385 ? 1.9243 0.9610 0.8998 0.1044 -0.3457 -0.2454 403 ASP B C 3078 O O . ASP A 385 ? 2.0050 1.0048 0.9348 0.1213 -0.3496 -0.2540 403 ASP B O 3079 C CB . ASP A 385 ? 1.9607 0.9363 0.9559 0.0568 -0.4013 -0.2195 403 ASP B CB 3080 C CG . ASP A 385 ? 1.9585 0.9413 0.9973 0.0194 -0.4230 -0.1980 403 ASP B CG 3081 O OD1 . ASP A 385 ? 1.9313 0.9555 1.0050 -0.0025 -0.4196 -0.1869 403 ASP B OD1 3082 O OD2 . ASP A 385 ? 1.9877 0.9363 1.0260 0.0120 -0.4434 -0.1911 403 ASP B OD2 3083 N N . LEU A 386 ? 1.8487 0.9330 0.8480 0.1196 -0.3190 -0.2518 404 LEU B N 3084 C CA . LEU A 386 ? 1.8687 0.9725 0.8458 0.1569 -0.2905 -0.2680 404 LEU B CA 3085 C C . LEU A 386 ? 1.9433 1.0108 0.8968 0.1842 -0.2944 -0.2783 404 LEU B C 3086 O O . LEU A 386 ? 1.9914 1.0265 0.9527 0.1743 -0.3155 -0.2730 404 LEU B O 3087 C CB . LEU A 386 ? 1.7975 0.9772 0.8236 0.1617 -0.2580 -0.2645 404 LEU B CB 3088 C CG . LEU A 386 ? 1.7583 0.9907 0.8008 0.1542 -0.2364 -0.2577 404 LEU B CG 3089 C CD1 . LEU A 386 ? 1.7807 1.0035 0.8345 0.1185 -0.2571 -0.2426 404 LEU B CD1 3090 C CD2 . LEU A 386 ? 1.6212 0.9334 0.7257 0.1559 -0.2046 -0.2486 404 LEU B CD2 3091 N N . ASP A 387 ? 1.9890 1.0640 0.9138 0.2188 -0.2736 -0.2919 405 ASP B N 3092 C CA . ASP A 387 ? 2.0575 1.1052 0.9608 0.2491 -0.2738 -0.3021 405 ASP B CA 3093 C C . ASP A 387 ? 2.0170 1.1053 0.9592 0.2600 -0.2569 -0.3035 405 ASP B C 3094 O O . ASP A 387 ? 1.9266 1.0760 0.8974 0.2637 -0.2304 -0.3039 405 ASP B O 3095 C CB . ASP A 387 ? 2.1030 1.1511 0.9658 0.2837 -0.2563 -0.3150 405 ASP B CB 3096 C CG . ASP A 387 ? 2.1607 1.1564 0.9775 0.2778 -0.2763 -0.3153 405 ASP B CG 3097 O OD1 . ASP A 387 ? 2.1918 1.1361 1.0000 0.2547 -0.3079 -0.3073 405 ASP B OD1 3098 O OD2 . ASP A 387 ? 2.1942 1.2014 0.9840 0.2957 -0.2604 -0.3225 405 ASP B OD2 3099 N N . PRO A 388 ? 2.0569 1.1133 1.0009 0.2647 -0.2719 -0.3036 406 PRO B N 3100 C CA . PRO A 388 ? 2.0295 1.1232 1.0117 0.2739 -0.2573 -0.3043 406 PRO B CA 3101 C C . PRO A 388 ? 2.0249 1.1638 1.0055 0.3126 -0.2244 -0.3158 406 PRO B C 3102 O O . PRO A 388 ? 2.0883 1.2124 1.0314 0.3387 -0.2188 -0.3247 406 PRO B O 3103 C CB . PRO A 388 ? 2.0510 1.0899 1.0242 0.2724 -0.2838 -0.3018 406 PRO B CB 3104 C CG . PRO A 388 ? 2.0684 1.0475 1.0106 0.2496 -0.3153 -0.2948 406 PRO B CG 3105 C CD . PRO A 388 ? 2.0890 1.0730 1.0004 0.2593 -0.3046 -0.3012 406 PRO B CD 3106 N N . SER A 389 ? 1.9539 1.1508 0.9768 0.3160 -0.2025 -0.3146 407 SER B N 3107 C CA . SER A 389 ? 1.9635 1.2129 0.9953 0.3503 -0.1709 -0.3222 407 SER B CA 3108 C C . SER A 389 ? 1.9747 1.2332 1.0335 0.3626 -0.1692 -0.3228 407 SER B C 3109 O O . SER A 389 ? 1.9708 1.2055 1.0479 0.3414 -0.1883 -0.3165 407 SER B O 3110 C CB . SER A 389 ? 1.9035 1.2251 0.9636 0.3451 -0.1422 -0.3184 407 SER B CB 3111 O OG . SER A 389 ? 1.8543 1.2183 0.9822 0.3117 -0.1405 -0.2986 407 SER B OG 3112 N N . LYS A 390 ? 1.9679 1.2629 1.0303 0.3969 -0.1463 -0.3293 408 LYS B N 3113 C CA . LYS A 390 ? 1.8927 1.1988 0.9794 0.4123 -0.1435 -0.3301 408 LYS B CA 3114 C C . LYS A 390 ? 1.7847 1.1712 0.9026 0.4361 -0.1081 -0.3311 408 LYS B C 3115 O O . LYS A 390 ? 1.7578 1.1709 0.8597 0.4575 -0.0900 -0.3352 408 LYS B O 3116 C CB . LYS A 390 ? 1.9603 1.2057 1.0089 0.4334 -0.1629 -0.3363 408 LYS B CB 3117 C CG . LYS A 390 ? 1.9762 1.1447 1.0031 0.4079 -0.2003 -0.3319 408 LYS B CG 3118 C CD . LYS A 390 ? 2.0185 1.1303 1.0095 0.4295 -0.2190 -0.3368 408 LYS B CD 3119 C CE . LYS A 390 ? 2.0377 1.0778 1.0118 0.4009 -0.2564 -0.3294 408 LYS B CE 3120 N NZ . LYS A 390 ? 2.1205 1.1025 1.0561 0.4210 -0.2762 -0.3332 408 LYS B NZ 3121 N N . SER A 391 ? 1.7042 1.1307 0.8678 0.4312 -0.0989 -0.3261 409 SER B N 3122 C CA . SER A 391 ? 1.6705 1.1739 0.8694 0.4526 -0.0681 -0.3248 409 SER B CA 3123 C C . SER A 391 ? 1.6757 1.1758 0.8953 0.4660 -0.0732 -0.3250 409 SER B C 3124 O O . SER A 391 ? 1.7111 1.1517 0.9194 0.4560 -0.0994 -0.3254 409 SER B O 3125 C CB . SER A 391 ? 1.5871 1.1680 0.8476 0.4220 -0.0483 -0.3061 409 SER B CB 3126 O OG . SER A 391 ? 1.5424 1.1975 0.8416 0.4384 -0.0215 -0.3023 409 SER B OG 3127 N N . VAL A 392 ? 1.6356 1.2013 0.8862 0.4877 -0.0485 -0.3232 410 VAL B N 3128 C CA . VAL A 392 ? 1.6197 1.1949 0.8965 0.5004 -0.0497 -0.3219 410 VAL B CA 3129 C C . VAL A 392 ? 1.5648 1.2224 0.9087 0.4843 -0.0284 -0.3075 410 VAL B C 3130 O O . VAL A 392 ? 1.5164 1.2372 0.8803 0.4823 -0.0048 -0.3020 410 VAL B O 3131 C CB . VAL A 392 ? 1.6256 1.2071 0.8858 0.5379 -0.0431 -0.3271 410 VAL B CB 3132 C CG1 . VAL A 392 ? 1.6206 1.1874 0.8953 0.5488 -0.0538 -0.3266 410 VAL B CG1 3133 C CG2 . VAL A 392 ? 1.7145 1.2332 0.9148 0.5495 -0.0583 -0.3357 410 VAL B CG2 3134 N N . THR A 393 ? 1.5877 1.2454 0.9690 0.4688 -0.0379 -0.2981 411 THR B N 3135 C CA . THR A 393 ? 1.5947 1.3264 1.0422 0.4495 -0.0212 -0.2816 411 THR B CA 3136 C C . THR A 393 ? 1.6522 1.4527 1.1167 0.4799 0.0055 -0.2840 411 THR B C 3137 O O . THR A 393 ? 1.6760 1.4676 1.1239 0.5149 0.0057 -0.2946 411 THR B O 3138 C CB . THR A 393 ? 1.5728 1.2849 1.0493 0.4327 -0.0377 -0.2731 411 THR B CB 3139 O OG1 . THR A 393 ? 1.5616 1.2396 1.0433 0.3945 -0.0556 -0.2634 411 THR B OG1 3140 C CG2 . THR A 393 ? 1.5060 1.2917 1.0426 0.4266 -0.0198 -0.2605 411 THR B CG2 3141 N N . ARG A 394 ? 1.6812 1.5503 1.1776 0.4665 0.0274 -0.2737 412 ARG B N 3142 C CA . ARG A 394 ? 1.7514 1.6978 1.2774 0.4861 0.0527 -0.2704 412 ARG B CA 3143 C C . ARG A 394 ? 1.8001 1.7662 1.3673 0.4855 0.0499 -0.2635 412 ARG B C 3144 O O . ARG A 394 ? 1.8708 1.8330 1.4714 0.4533 0.0401 -0.2516 412 ARG B O 3145 C CB . ARG A 394 ? 1.7378 1.7496 1.2960 0.4612 0.0721 -0.2565 412 ARG B CB 3146 C CG . ARG A 394 ? 1.7545 1.8528 1.3464 0.4754 0.0983 -0.2497 412 ARG B CG 3147 C CD . ARG A 394 ? 1.7920 1.9334 1.3772 0.4711 0.1176 -0.2457 412 ARG B CD 3148 N NE . ARG A 394 ? 1.7606 1.9343 1.3834 0.4289 0.1213 -0.2282 412 ARG B NE 3149 C CZ . ARG A 394 ? 1.7591 1.8946 1.3703 0.4001 0.1096 -0.2252 412 ARG B CZ 3150 N NH1 . ARG A 394 ? 1.8092 1.8732 1.3734 0.4062 0.0926 -0.2377 412 ARG B NH1 3151 N NH2 . ARG A 394 ? 1.7002 1.8681 1.3457 0.3652 0.1141 -0.2094 412 ARG B NH2 3152 N N . VAL A 395 ? 1.7574 1.7437 1.3206 0.5229 0.0582 -0.2713 413 VAL B N 3153 C CA . VAL A 395 ? 1.6763 1.6815 1.2754 0.5266 0.0556 -0.2658 413 VAL B CA 3154 C C . VAL A 395 ? 1.6080 1.7044 1.2626 0.5174 0.0776 -0.2511 413 VAL B C 3155 O O . VAL A 395 ? 1.5051 1.6266 1.1967 0.5148 0.0767 -0.2436 413 VAL B O 3156 C CB . VAL A 395 ? 1.6666 1.6392 1.2357 0.5640 0.0474 -0.2768 413 VAL B CB 3157 C CG1 . VAL A 395 ? 1.6236 1.6588 1.2016 0.5869 0.0677 -0.2729 413 VAL B CG1 3158 C CG2 . VAL A 395 ? 1.6521 1.6028 1.2395 0.5647 0.0327 -0.2754 413 VAL B CG2 3159 N N . ASP A 396 ? 1.6563 1.8011 1.3183 0.5081 0.0958 -0.2452 414 ASP B N 3160 C CA . ASP A 396 ? 1.6656 1.8955 1.3800 0.4950 0.1147 -0.2294 414 ASP B CA 3161 C C . ASP A 396 ? 1.7097 1.9443 1.4609 0.4482 0.1083 -0.2137 414 ASP B C 3162 O O . ASP A 396 ? 1.6816 1.9637 1.4786 0.4340 0.1136 -0.2009 414 ASP B O 3163 C CB . ASP A 396 ? 1.6788 1.9626 1.3861 0.5056 0.1371 -0.2279 414 ASP B CB 3164 C CG . ASP A 396 ? 1.7770 2.0173 1.4318 0.5316 0.1333 -0.2404 414 ASP B CG 3165 O OD1 . ASP A 396 ? 1.8217 2.0035 1.4467 0.5525 0.1171 -0.2519 414 ASP B OD1 3166 O OD2 . ASP A 396 ? 1.7980 2.0630 1.4405 0.5303 0.1463 -0.2378 414 ASP B OD2 3167 N N . ASP A 397 ? 1.8233 2.0073 1.5535 0.4251 0.0960 -0.2146 415 ASP B N 3168 C CA . ASP A 397 ? 1.7916 1.9749 1.5512 0.3831 0.0894 -0.2007 415 ASP B CA 3169 C C . ASP A 397 ? 1.6814 1.7906 1.4239 0.3679 0.0653 -0.2038 415 ASP B C 3170 O O . ASP A 397 ? 1.6115 1.7170 1.3770 0.3350 0.0588 -0.1925 415 ASP B O 3171 C CB . ASP A 397 ? 1.9217 2.1321 1.6809 0.3627 0.1010 -0.1936 415 ASP B CB 3172 C CG . ASP A 397 ? 2.0803 2.3575 1.8443 0.3805 0.1244 -0.1919 415 ASP B CG 3173 O OD1 . ASP A 397 ? 2.1152 2.4473 1.9128 0.3882 0.1350 -0.1852 415 ASP B OD1 3174 O OD2 . ASP A 397 ? 2.1652 2.4417 1.8997 0.3859 0.1322 -0.1963 415 ASP B OD2 3175 N N . GLY A 398 ? 1.7194 1.7696 1.4209 0.3903 0.0516 -0.2181 416 GLY B N 3176 C CA . GLY A 398 ? 1.6763 1.6571 1.3606 0.3739 0.0276 -0.2195 416 GLY B CA 3177 C C . GLY A 398 ? 1.6127 1.5563 1.2672 0.3573 0.0199 -0.2214 416 GLY B C 3178 O O . GLY A 398 ? 1.6139 1.5027 1.2558 0.3406 -0.0007 -0.2207 416 GLY B O 3179 N N . VAL A 399 ? 1.5594 1.5314 1.2016 0.3613 0.0352 -0.2231 417 VAL B N 3180 C CA . VAL A 399 ? 1.5715 1.5187 1.1912 0.3421 0.0301 -0.2224 417 VAL B CA 3181 C C . VAL A 399 ? 1.6293 1.5169 1.1889 0.3650 0.0191 -0.2392 417 VAL B C 3182 O O . VAL A 399 ? 1.6775 1.5642 1.2109 0.4004 0.0256 -0.2519 417 VAL B O 3183 C CB . VAL A 399 ? 1.6089 1.6189 1.2470 0.3322 0.0522 -0.2139 417 VAL B CB 3184 C CG1 . VAL A 399 ? 1.6745 1.6591 1.2839 0.3170 0.0481 -0.2146 417 VAL B CG1 3185 C CG2 . VAL A 399 ? 1.5649 1.6227 1.2578 0.3059 0.0587 -0.1970 417 VAL B CG2 3186 N N . ALA A 400 ? 1.6026 1.4390 1.1385 0.3452 0.0016 -0.2394 418 ALA B N 3187 C CA . ALA A 400 ? 1.6284 1.4076 1.1042 0.3617 -0.0094 -0.2542 418 ALA B CA 3188 C C . ALA A 400 ? 1.5856 1.3692 1.0526 0.3396 -0.0068 -0.2491 418 ALA B C 3189 O O . ALA A 400 ? 1.5966 1.3585 1.0743 0.3083 -0.0211 -0.2398 418 ALA B O 3190 C CB . ALA A 400 ? 1.6705 1.3728 1.1196 0.3597 -0.0385 -0.2599 418 ALA B CB 3191 N N . SER A 401 ? 1.5249 1.3386 0.9728 0.3562 0.0119 -0.2543 419 SER B N 3192 C CA . SER A 401 ? 1.5006 1.3331 0.9471 0.3355 0.0192 -0.2473 419 SER B CA 3193 C C . SER A 401 ? 1.5354 1.3047 0.9242 0.3383 0.0034 -0.2581 419 SER B C 3194 O O . SER A 401 ? 1.5947 1.3195 0.9358 0.3668 -0.0044 -0.2741 419 SER B O 3195 C CB . SER A 401 ? 1.5343 1.4378 0.9928 0.3486 0.0483 -0.2446 419 SER B CB 3196 O OG . SER A 401 ? 1.5715 1.4915 1.0265 0.3281 0.0550 -0.2372 419 SER B OG 3197 N N . PHE A 402 ? 1.4902 1.2544 0.8823 0.3084 -0.0024 -0.2490 420 PHE B N 3198 C CA . PHE A 402 ? 1.4576 1.1681 0.7988 0.3058 -0.0171 -0.2565 420 PHE B CA 3199 C C . PHE A 402 ? 1.3733 1.1196 0.7212 0.2872 -0.0042 -0.2472 420 PHE B C 3200 O O . PHE A 402 ? 1.3214 1.1156 0.7169 0.2641 0.0057 -0.2319 420 PHE B O 3201 C CB . PHE A 402 ? 1.2714 0.9195 0.6063 0.2831 -0.0479 -0.2539 420 PHE B CB 3202 C CG . PHE A 402 ? 1.4160 1.0173 0.7360 0.2990 -0.0648 -0.2629 420 PHE B CG 3203 C CD1 . PHE A 402 ? 1.3826 0.9204 0.6410 0.3227 -0.0795 -0.2800 420 PHE B CD1 3204 C CD2 . PHE A 402 ? 1.3499 0.9672 0.7147 0.2901 -0.0673 -0.2541 420 PHE B CD2 3205 C CE1 . PHE A 402 ? 1.4755 0.9656 0.7172 0.3368 -0.0969 -0.2880 420 PHE B CE1 3206 C CE2 . PHE A 402 ? 1.3556 0.9283 0.7056 0.3038 -0.0837 -0.2616 420 PHE B CE2 3207 C CZ . PHE A 402 ? 1.4448 0.9531 0.7332 0.3269 -0.0989 -0.2784 420 PHE B CZ 3208 N N . VAL A 403 ? 1.3866 1.1068 0.6836 0.2979 -0.0052 -0.2567 421 VAL B N 3209 C CA . VAL A 403 ? 1.3562 1.0970 0.6495 0.2798 0.0026 -0.2489 421 VAL B CA 3210 C C . VAL A 403 ? 1.4196 1.0910 0.6633 0.2726 -0.0215 -0.2559 421 VAL B C 3211 O O . VAL A 403 ? 1.4959 1.1156 0.6887 0.2962 -0.0327 -0.2720 421 VAL B O 3212 C CB . VAL A 403 ? 1.3624 1.1540 0.6427 0.3017 0.0308 -0.2521 421 VAL B CB 3213 C CG1 . VAL A 403 ? 1.3582 1.1698 0.6352 0.2802 0.0377 -0.2424 421 VAL B CG1 3214 C CG2 . VAL A 403 ? 1.2974 1.1574 0.6263 0.3095 0.0527 -0.2450 421 VAL B CG2 3215 N N . LEU A 404 ? 1.4014 1.0702 0.6586 0.2405 -0.0306 -0.2437 422 LEU B N 3216 C CA . LEU A 404 ? 1.4365 1.0412 0.6557 0.2276 -0.0571 -0.2470 422 LEU B CA 3217 C C . LEU A 404 ? 1.4430 1.0590 0.6462 0.2141 -0.0517 -0.2417 422 LEU B C 3218 O O . LEU A 404 ? 1.3915 1.0553 0.6344 0.1936 -0.0396 -0.2269 422 LEU B O 3219 C CB . LEU A 404 ? 1.3839 0.9670 0.6372 0.1993 -0.0797 -0.2358 422 LEU B CB 3220 C CG . LEU A 404 ? 1.4111 0.9182 0.6259 0.1940 -0.1122 -0.2422 422 LEU B CG 3221 C CD1 . LEU A 404 ? 1.4476 0.9121 0.6170 0.2270 -0.1174 -0.2610 422 LEU B CD1 3222 C CD2 . LEU A 404 ? 1.3824 0.8828 0.6400 0.1665 -0.1302 -0.2283 422 LEU B CD2 3223 N N . ASN A 405 ? 1.5147 1.0838 0.6571 0.2259 -0.0616 -0.2539 423 ASN B N 3224 C CA . ASN A 405 ? 1.5332 1.1032 0.6517 0.2141 -0.0598 -0.2502 423 ASN B CA 3225 C C . ASN A 405 ? 1.5455 1.0597 0.6496 0.1889 -0.0914 -0.2464 423 ASN B C 3226 O O . ASN A 405 ? 1.6119 1.0624 0.6712 0.1975 -0.1137 -0.2582 423 ASN B O 3227 C CB . ASN A 405 ? 1.6306 1.1898 0.6889 0.2452 -0.0479 -0.2658 423 ASN B CB 3228 C CG . ASN A 405 ? 1.6386 1.2670 0.7151 0.2651 -0.0137 -0.2649 423 ASN B CG 3229 O OD1 . ASN A 405 ? 1.6198 1.3070 0.7514 0.2492 0.0015 -0.2502 423 ASN B OD1 3230 N ND2 . ASN A 405 ? 1.6890 1.3113 0.7181 0.3003 -0.0019 -0.2803 423 ASN B ND2 3231 N N . LEU A 406 ? 1.4696 1.0073 0.6105 0.1579 -0.0941 -0.2294 424 LEU B N 3232 C CA . LEU A 406 ? 1.4663 0.9619 0.6026 0.1319 -0.1228 -0.2225 424 LEU B CA 3233 C C . LEU A 406 ? 1.5248 1.0190 0.6362 0.1200 -0.1234 -0.2183 424 LEU B C 3234 O O . LEU A 406 ? 1.5202 1.0599 0.6383 0.1228 -0.0997 -0.2143 424 LEU B O 3235 C CB . LEU A 406 ? 1.3608 0.8818 0.5609 0.1057 -0.1287 -0.2052 424 LEU B CB 3236 C CG . LEU A 406 ? 1.3591 0.8918 0.5929 0.1143 -0.1253 -0.2062 424 LEU B CG 3237 C CD1 . LEU A 406 ? 1.2965 0.8573 0.5914 0.0884 -0.1294 -0.1883 424 LEU B CD1 3238 C CD2 . LEU A 406 ? 1.4139 0.8842 0.6094 0.1275 -0.1472 -0.2194 424 LEU B CD2 3239 N N . PRO A 407 ? 1.5872 1.0296 0.6686 0.1060 -0.1508 -0.2184 425 PRO B N 3240 C CA . PRO A 407 ? 1.6166 1.0574 0.6774 0.0922 -0.1535 -0.2126 425 PRO B CA 3241 C C . PRO A 407 ? 1.5956 1.0901 0.7121 0.0685 -0.1426 -0.1933 425 PRO B C 3242 O O . PRO A 407 ? 1.5529 1.0711 0.7221 0.0560 -0.1433 -0.1827 425 PRO B O 3243 C CB . PRO A 407 ? 1.6602 1.0362 0.6902 0.0780 -0.1893 -0.2138 425 PRO B CB 3244 C CG . PRO A 407 ? 1.7000 1.0328 0.7074 0.0953 -0.2018 -0.2275 425 PRO B CG 3245 C CD . PRO A 407 ? 1.6457 1.0252 0.7043 0.1035 -0.1816 -0.2245 425 PRO B CD 3246 N N . SER A 408 ? 1.6333 1.1452 0.7350 0.0632 -0.1326 -0.1887 426 SER B N 3247 C CA . SER A 408 ? 1.5967 1.1572 0.7451 0.0428 -0.1214 -0.1711 426 SER B CA 3248 C C . SER A 408 ? 1.5369 1.0846 0.7160 0.0160 -0.1450 -0.1573 426 SER B C 3249 O O . SER A 408 ? 1.4829 1.0685 0.7115 0.0012 -0.1383 -0.1430 426 SER B O 3250 C CB . SER A 408 ? 1.7172 1.2930 0.8373 0.0424 -0.1080 -0.1690 426 SER B CB 3251 O OG . SER A 408 ? 1.8514 1.3781 0.9217 0.0387 -0.1285 -0.1738 426 SER B OG 3252 N N . GLY A 409 ? 1.5813 1.0767 0.7314 0.0098 -0.1730 -0.1609 427 GLY B N 3253 C CA . GLY A 409 ? 1.5627 1.0484 0.7408 -0.0153 -0.1963 -0.1468 427 GLY B CA 3254 C C . GLY A 409 ? 1.4638 0.9509 0.6836 -0.0214 -0.2063 -0.1417 427 GLY B C 3255 O O . GLY A 409 ? 1.4041 0.8870 0.6497 -0.0419 -0.2255 -0.1287 427 GLY B O 3256 N N . VAL A 410 ? 1.4267 0.9216 0.6544 -0.0040 -0.1938 -0.1507 428 VAL B N 3257 C CA . VAL A 410 ? 1.4230 0.9156 0.6862 -0.0092 -0.2041 -0.1463 428 VAL B CA 3258 C C . VAL A 410 ? 1.3471 0.8896 0.6729 -0.0248 -0.1947 -0.1289 428 VAL B C 3259 O O . VAL A 410 ? 1.3243 0.9084 0.6685 -0.0236 -0.1727 -0.1244 428 VAL B O 3260 C CB . VAL A 410 ? 1.4750 0.9623 0.7282 0.0152 -0.1929 -0.1607 428 VAL B CB 3261 C CG1 . VAL A 410 ? 1.4824 1.0258 0.7640 0.0271 -0.1605 -0.1603 428 VAL B CG1 3262 C CG2 . VAL A 410 ? 1.4512 0.9209 0.7280 0.0091 -0.2099 -0.1575 428 VAL B CG2 3263 N N . THR A 411 ? 1.2950 0.8323 0.6521 -0.0398 -0.2122 -0.1184 429 THR B N 3264 C CA . THR A 411 ? 1.2012 0.7819 0.6157 -0.0529 -0.2052 -0.1022 429 THR B CA 3265 C C . THR A 411 ? 1.1931 0.7853 0.6420 -0.0494 -0.2027 -0.1007 429 THR B C 3266 O O . THR A 411 ? 1.1861 0.8198 0.6740 -0.0482 -0.1845 -0.0947 429 THR B O 3267 C CB . THR A 411 ? 1.1608 0.7363 0.5896 -0.0756 -0.2267 -0.0867 429 THR B CB 3268 O OG1 . THR A 411 ? 1.1489 0.6848 0.5657 -0.0833 -0.2537 -0.0865 429 THR B OG1 3269 C CG2 . THR A 411 ? 1.1413 0.7088 0.5391 -0.0798 -0.2286 -0.0866 429 THR B CG2 3270 N N . VAL A 412 ? 1.1908 0.7451 0.6247 -0.0483 -0.2214 -0.1058 430 VAL B N 3271 C CA . VAL A 412 ? 1.1515 0.7128 0.6152 -0.0457 -0.2210 -0.1039 430 VAL B CA 3272 C C . VAL A 412 ? 1.2320 0.7576 0.6579 -0.0254 -0.2224 -0.1217 430 VAL B C 3273 O O . VAL A 412 ? 1.2760 0.7541 0.6536 -0.0218 -0.2387 -0.1315 430 VAL B O 3274 C CB . VAL A 412 ? 1.1350 0.6873 0.6245 -0.0672 -0.2451 -0.0885 430 VAL B CB 3275 C CG1 . VAL A 412 ? 1.0910 0.6513 0.6103 -0.0647 -0.2438 -0.0859 430 VAL B CG1 3276 C CG2 . VAL A 412 ? 1.0687 0.6570 0.5937 -0.0842 -0.2436 -0.0712 430 VAL B CG2 3277 N N . LEU A 413 ? 1.2410 0.7882 0.6870 -0.0112 -0.2057 -0.1261 431 LEU B N 3278 C CA . LEU A 413 ? 1.1619 0.6797 0.5780 0.0105 -0.2057 -0.1422 431 LEU B CA 3279 C C . LEU A 413 ? 1.1476 0.6643 0.5945 0.0065 -0.2134 -0.1363 431 LEU B C 3280 O O . LEU A 413 ? 1.1612 0.7208 0.6508 0.0073 -0.1966 -0.1299 431 LEU B O 3281 C CB . LEU A 413 ? 1.1550 0.7029 0.5644 0.0342 -0.1769 -0.1535 431 LEU B CB 3282 C CG . LEU A 413 ? 1.2599 0.7868 0.6446 0.0605 -0.1731 -0.1696 431 LEU B CG 3283 C CD1 . LEU A 413 ? 1.2662 0.7339 0.5866 0.0728 -0.1891 -0.1846 431 LEU B CD1 3284 C CD2 . LEU A 413 ? 1.2174 0.7925 0.6155 0.0801 -0.1422 -0.1748 431 LEU B CD2 3285 N N . GLU A 414 ? 1.1963 0.6625 0.6200 0.0013 -0.2396 -0.1381 432 GLU B N 3286 C CA . GLU A 414 ? 1.2136 0.6709 0.6594 -0.0029 -0.2500 -0.1327 432 GLU B CA 3287 C C . GLU A 414 ? 1.3153 0.7395 0.7255 0.0234 -0.2486 -0.1510 432 GLU B C 3288 O O . GLU A 414 ? 1.3726 0.7387 0.7349 0.0280 -0.2695 -0.1607 432 GLU B O 3289 C CB . GLU A 414 ? 1.2479 0.6716 0.6923 -0.0281 -0.2817 -0.1204 432 GLU B CB 3290 C CG . GLU A 414 ? 1.3086 0.7709 0.7979 -0.0532 -0.2837 -0.0995 432 GLU B CG 3291 C CD . GLU A 414 ? 1.4365 0.9365 0.9797 -0.0610 -0.2769 -0.0855 432 GLU B CD 3292 O OE1 . GLU A 414 ? 1.4711 0.9697 1.0184 -0.0473 -0.2692 -0.0921 432 GLU B OE1 3293 O OE2 . GLU A 414 ? 1.4879 1.0189 1.0683 -0.0800 -0.2793 -0.0678 432 GLU B OE2 3294 N N . PHE A 415 ? 1.3421 0.8017 0.7741 0.0412 -0.2250 -0.1556 433 PHE B N 3295 C CA . PHE A 415 ? 1.4058 0.8402 0.8060 0.0695 -0.2210 -0.1730 433 PHE B CA 3296 C C . PHE A 415 ? 1.4054 0.8411 0.8328 0.0706 -0.2243 -0.1687 433 PHE B C 3297 O O . PHE A 415 ? 1.3400 0.8176 0.8183 0.0569 -0.2163 -0.1544 433 PHE B O 3298 C CB . PHE A 415 ? 1.3714 0.8434 0.7660 0.0941 -0.1911 -0.1841 433 PHE B CB 3299 C CG . PHE A 415 ? 1.2398 0.7789 0.6892 0.0918 -0.1660 -0.1745 433 PHE B CG 3300 C CD1 . PHE A 415 ? 1.1719 0.7517 0.6510 0.0737 -0.1560 -0.1620 433 PHE B CD1 3301 C CD2 . PHE A 415 ? 1.2136 0.7730 0.6818 0.1086 -0.1532 -0.1783 433 PHE B CD2 3302 C CE1 . PHE A 415 ? 1.0858 0.7221 0.6108 0.0715 -0.1347 -0.1536 433 PHE B CE1 3303 C CE2 . PHE A 415 ? 1.1283 0.7470 0.6443 0.1057 -0.1317 -0.1695 433 PHE B CE2 3304 C CZ . PHE A 415 ? 1.0697 0.7255 0.6129 0.0869 -0.1228 -0.1574 433 PHE B CZ 3305 N N . ASN A 416 ? 1.5102 0.8967 0.9002 0.0878 -0.2370 -0.1814 434 ASN B N 3306 C CA . ASN A 416 ? 1.5747 0.9488 0.9799 0.0895 -0.2452 -0.1786 434 ASN B CA 3307 C C . ASN A 416 ? 1.5630 0.9267 0.9420 0.1251 -0.2335 -0.1969 434 ASN B C 3308 O O . ASN A 416 ? 1.5907 0.9211 0.9186 0.1462 -0.2349 -0.2134 434 ASN B O 3309 C CB . ASN A 416 ? 1.7457 1.0584 1.1283 0.0703 -0.2807 -0.1729 434 ASN B CB 3310 C CG . ASN A 416 ? 1.9086 1.1904 1.2871 0.0781 -0.2925 -0.1749 434 ASN B CG 3311 O OD1 . ASN A 416 ? 1.9830 1.2100 1.3116 0.0980 -0.3046 -0.1904 434 ASN B OD1 3312 N ND2 . ASN A 416 ? 1.9120 1.2267 1.3405 0.0630 -0.2897 -0.1592 434 ASN B ND2 3313 N N . VAL A 417 ? 1.4932 0.8861 0.9062 0.1329 -0.2218 -0.1939 435 VAL B N 3314 C CA . VAL A 417 ? 1.4872 0.8792 0.8832 0.1672 -0.2092 -0.2093 435 VAL B CA 3315 C C . VAL A 417 ? 1.5357 0.8903 0.9291 0.1697 -0.2270 -0.2087 435 VAL B C 3316 O O . VAL A 417 ? 1.5097 0.8725 0.9391 0.1457 -0.2361 -0.1927 435 VAL B O 3317 C CB . VAL A 417 ? 1.3358 0.8026 0.7741 0.1777 -0.1763 -0.2072 435 VAL B CB 3318 C CG1 . VAL A 417 ? 1.3178 0.8163 0.7519 0.1767 -0.1597 -0.2085 435 VAL B CG1 3319 C CG2 . VAL A 417 ? 1.2270 0.7346 0.7245 0.1548 -0.1723 -0.1889 435 VAL B CG2 3320 N N . LYS A 418 ? 1.6125 0.9260 0.9616 0.2001 -0.2316 -0.2260 436 LYS B N 3321 C CA . LYS A 418 ? 1.6441 0.9159 0.9829 0.2070 -0.2490 -0.2277 436 LYS B CA 3322 C C . LYS A 418 ? 1.6563 0.9349 0.9796 0.2476 -0.2331 -0.2440 436 LYS B C 3323 O O . LYS A 418 ? 1.6265 0.9207 0.9278 0.2729 -0.2156 -0.2573 436 LYS B O 3324 C CB . LYS A 418 ? 1.7862 0.9725 1.0716 0.1988 -0.2845 -0.2317 436 LYS B CB 3325 C CG . LYS A 418 ? 1.8361 1.0090 1.1451 0.1577 -0.3076 -0.2113 436 LYS B CG 3326 C CD . LYS A 418 ? 1.9696 1.0551 1.2269 0.1517 -0.3447 -0.2146 436 LYS B CD 3327 C CE . LYS A 418 ? 1.9804 1.0582 1.2657 0.1102 -0.3676 -0.1917 436 LYS B CE 3328 N NZ . LYS A 418 ? 2.0566 1.0490 1.2931 0.1022 -0.4053 -0.1930 436 LYS B NZ 3329 N N . THR A 419 ? 1.6823 0.9506 1.0173 0.2540 -0.2392 -0.2421 437 THR B N 3330 C CA . THR A 419 ? 1.6854 0.9507 1.0018 0.2936 -0.2292 -0.2573 437 THR B CA 3331 C C . THR A 419 ? 1.7348 0.9122 0.9819 0.3131 -0.2553 -0.2729 437 THR B C 3332 O O . THR A 419 ? 1.7669 0.8846 0.9923 0.2911 -0.2852 -0.2675 437 THR B O 3333 C CB . THR A 419 ? 1.6112 0.9088 0.9730 0.2932 -0.2227 -0.2481 437 THR B CB 3334 O OG1 . THR A 419 ? 1.4036 0.6593 0.7696 0.2670 -0.2494 -0.2359 437 THR B OG1 3335 C CG2 . THR A 419 ? 1.3074 0.6905 0.7318 0.2794 -0.1956 -0.2353 437 THR B CG2 3336 N N . ASP A 420 ? 1.7646 0.9345 0.9758 0.3550 -0.2443 -0.2920 438 ASP B N 3337 C CA . ASP A 420 ? 1.9107 1.0123 1.0630 0.3753 -0.2641 -0.3019 438 ASP B CA 3338 C C . ASP A 420 ? 1.9754 1.0884 1.1309 0.4086 -0.2555 -0.3069 438 ASP B C 3339 O O . ASP A 420 ? 2.0043 1.1421 1.1463 0.4424 -0.2371 -0.3164 438 ASP B O 3340 C CB . ASP A 420 ? 1.9814 1.0786 1.0959 0.3888 -0.2571 -0.3105 438 ASP B CB 3341 C CG . ASP A 420 ? 2.1313 1.1556 1.1904 0.3948 -0.2836 -0.3127 438 ASP B CG 3342 O OD1 . ASP A 420 ? 2.1831 1.1573 1.2342 0.3780 -0.3110 -0.3048 438 ASP B OD1 3343 O OD2 . ASP A 420 ? 2.1730 1.1899 1.1961 0.4156 -0.2774 -0.3215 438 ASP B OD2 3344 N N . ALA A 421 ? 2.0190 1.1156 1.1938 0.3980 -0.2692 -0.2991 439 ALA B N 3345 C CA . ALA A 421 ? 2.0749 1.1796 1.2536 0.4268 -0.2640 -0.3023 439 ALA B CA 3346 C C . ALA A 421 ? 2.2114 1.2462 1.3380 0.4386 -0.2898 -0.3048 439 ALA B C 3347 O O . ALA A 421 ? 2.2732 1.2493 1.3757 0.4130 -0.3184 -0.2978 439 ALA B O 3348 C CB . ALA A 421 ? 2.0445 1.1661 1.2682 0.4113 -0.2658 -0.2925 439 ALA B CB 3349 N N . PRO A 422 ? 2.2670 1.3083 1.3753 0.4766 -0.2808 -0.3136 440 PRO B N 3350 C CA . PRO A 422 ? 2.3704 1.3431 1.4238 0.4909 -0.3055 -0.3172 440 PRO B CA 3351 C C . PRO A 422 ? 2.3828 1.3076 1.4339 0.4736 -0.3331 -0.3076 440 PRO B C 3352 O O . PRO A 422 ? 2.4613 1.3190 1.4649 0.4738 -0.3601 -0.3073 440 PRO B O 3353 C CB . PRO A 422 ? 2.3852 1.3904 1.4291 0.5368 -0.2849 -0.3282 440 PRO B CB 3354 C CG . PRO A 422 ? 2.2945 1.3838 1.3816 0.5437 -0.2494 -0.3304 440 PRO B CG 3355 C CD . PRO A 422 ? 2.2145 1.3273 1.3493 0.5083 -0.2480 -0.3203 440 PRO B CD 3356 N N . ASP A 423 ? 2.2897 1.2458 1.3891 0.4584 -0.3278 -0.2990 441 ASP B N 3357 C CA . ASP A 423 ? 2.2896 1.2068 1.3899 0.4438 -0.3515 -0.2891 441 ASP B CA 3358 C C . ASP A 423 ? 2.1767 1.0846 1.3058 0.3978 -0.3660 -0.2735 441 ASP B C 3359 O O . ASP A 423 ? 2.1822 1.0673 1.3207 0.3816 -0.3832 -0.2626 441 ASP B O 3360 C CB . ASP A 423 ? 2.3318 1.2898 1.4619 0.4677 -0.3355 -0.2908 441 ASP B CB 3361 C CG . ASP A 423 ? 2.4277 1.4002 1.5328 0.5131 -0.3212 -0.3044 441 ASP B CG 3362 O OD1 . ASP A 423 ? 2.4888 1.4126 1.5403 0.5272 -0.3353 -0.3112 441 ASP B OD1 3363 O OD2 . ASP A 423 ? 2.4219 1.4559 1.5613 0.5346 -0.2963 -0.3073 441 ASP B OD2 3364 N N . LEU A 424 ? 2.0830 1.0092 1.2263 0.3760 -0.3597 -0.2712 442 LEU B N 3365 C CA . LEU A 424 ? 1.9837 0.9074 1.1575 0.3325 -0.3722 -0.2554 442 LEU B CA 3366 C C . LEU A 424 ? 2.0029 0.8711 1.1423 0.3046 -0.4006 -0.2477 442 LEU B C 3367 O O . LEU A 424 ? 1.9812 0.8368 1.0881 0.3140 -0.3994 -0.2564 442 LEU B O 3368 C CB . LEU A 424 ? 1.8598 0.8472 1.0793 0.3239 -0.3462 -0.2560 442 LEU B CB 3369 C CG . LEU A 424 ? 1.7827 0.8313 1.0515 0.3371 -0.3214 -0.2560 442 LEU B CG 3370 C CD1 . LEU A 424 ? 1.6676 0.8003 0.9921 0.3171 -0.2943 -0.2452 442 LEU B CD1 3371 C CD2 . LEU A 424 ? 1.7701 0.8057 1.0625 0.3185 -0.3366 -0.2407 442 LEU B CD2 3372 N N . PRO A 425 ? 2.0322 0.8684 1.1778 0.2703 -0.4264 -0.2305 443 PRO B N 3373 C CA . PRO A 425 ? 2.1098 0.9062 1.2339 0.2376 -0.4519 -0.2194 443 PRO B CA 3374 C C . PRO A 425 ? 2.1547 0.9892 1.3072 0.2161 -0.4397 -0.2165 443 PRO B C 3375 O O . PRO A 425 ? 2.1156 1.0050 1.3091 0.2195 -0.4148 -0.2198 443 PRO B O 3376 C CB . PRO A 425 ? 2.0619 0.8337 1.1997 0.2053 -0.4771 -0.1989 443 PRO B CB 3377 C CG . PRO A 425 ? 2.0341 0.8087 1.1759 0.2305 -0.4709 -0.2038 443 PRO B CG 3378 C CD . PRO A 425 ? 1.9918 0.8235 1.1587 0.2623 -0.4354 -0.2196 443 PRO B CD 3379 N N . GLU A 426 ? 2.2553 1.0593 1.3845 0.1933 -0.4589 -0.2097 444 GLU B N 3380 C CA . GLU A 426 ? 2.2730 1.1095 1.4229 0.1741 -0.4491 -0.2076 444 GLU B CA 3381 C C . GLU A 426 ? 2.1661 1.0432 1.3737 0.1405 -0.4461 -0.1912 444 GLU B C 3382 O O . GLU A 426 ? 2.1179 1.0434 1.3563 0.1333 -0.4271 -0.1918 444 GLU B O 3383 C CB . GLU A 426 ? 2.4584 1.2520 1.5716 0.1555 -0.4729 -0.2015 444 GLU B CB 3384 C CG . GLU A 426 ? 2.6727 1.4221 1.7254 0.1879 -0.4775 -0.2170 444 GLU B CG 3385 C CD . GLU A 426 ? 2.7507 1.5355 1.7974 0.2241 -0.4459 -0.2377 444 GLU B CD 3386 O OE1 . GLU A 426 ? 2.7625 1.5749 1.8208 0.2538 -0.4252 -0.2483 444 GLU B OE1 3387 O OE2 . GLU A 426 ? 2.7925 1.5801 1.8238 0.2224 -0.4417 -0.2422 444 GLU B OE2 3388 N N . GLU A 427 ? 2.1437 1.0072 1.3683 0.1195 -0.4632 -0.1744 445 GLU B N 3389 C CA . GLU A 427 ? 2.0629 0.9699 1.3452 0.0891 -0.4587 -0.1566 445 GLU B CA 3390 C C . GLU A 427 ? 1.9292 0.9110 1.2594 0.1101 -0.4222 -0.1590 445 GLU B C 3391 O O . GLU A 427 ? 1.8483 0.9024 1.2321 0.0960 -0.4001 -0.1474 445 GLU B O 3392 C CB . GLU A 427 ? 2.1116 0.9913 1.4005 0.0613 -0.4848 -0.1350 445 GLU B CB 3393 C CG . GLU A 427 ? 2.1890 1.0325 1.4544 0.0318 -0.5143 -0.1196 445 GLU B CG 3394 C CD . GLU A 427 ? 2.2309 1.0574 1.5065 0.0036 -0.5381 -0.0960 445 GLU B CD 3395 O OE1 . GLU A 427 ? 2.1868 1.0204 1.4792 0.0112 -0.5329 -0.0942 445 GLU B OE1 3396 O OE2 . GLU A 427 ? 2.2927 1.1007 1.5599 -0.0261 -0.5619 -0.0786 445 GLU B OE2 3397 N N . ASN A 428 ? 1.9079 0.8725 1.2183 0.1442 -0.4164 -0.1740 446 ASN B N 3398 C CA . ASN A 428 ? 1.7625 0.7932 1.1158 0.1645 -0.3851 -0.1760 446 ASN B CA 3399 C C . ASN A 428 ? 1.7124 0.7951 1.0738 0.1888 -0.3538 -0.1902 446 ASN B C 3400 O O . ASN A 428 ? 1.6595 0.7937 1.0497 0.2097 -0.3283 -0.1944 446 ASN B O 3401 C CB . ASN A 428 ? 1.7123 0.7044 1.0408 0.1920 -0.3927 -0.1857 446 ASN B CB 3402 C CG . ASN A 428 ? 1.7078 0.6439 1.0242 0.1679 -0.4251 -0.1713 446 ASN B CG 3403 O OD1 . ASN A 428 ? 1.7384 0.6162 1.0086 0.1788 -0.4458 -0.1764 446 ASN B OD1 3404 N ND2 . ASN A 428 ? 1.6573 0.6318 1.0232 0.1327 -0.4251 -0.1475 446 ASN B ND2 3405 N N . GLN A 429 ? 1.7037 0.7744 1.0402 0.1855 -0.3559 -0.1967 447 GLN B N 3406 C CA . GLN A 429 ? 1.5961 0.7201 0.9432 0.2032 -0.3264 -0.2068 447 GLN B CA 3407 C C . GLN A 429 ? 1.4500 0.6469 0.8577 0.1750 -0.3083 -0.1891 447 GLN B C 3408 O O . GLN A 429 ? 1.4072 0.6053 0.8389 0.1409 -0.3217 -0.1704 447 GLN B O 3409 C CB . GLN A 429 ? 1.6363 0.7140 0.9267 0.2135 -0.3362 -0.2220 447 GLN B CB 3410 C CG . GLN A 429 ? 1.7219 0.7227 0.9447 0.2452 -0.3540 -0.2418 447 GLN B CG 3411 C CD . GLN A 429 ? 1.6899 0.7175 0.9045 0.2907 -0.3285 -0.2601 447 GLN B CD 3412 O OE1 . GLN A 429 ? 1.6222 0.7270 0.8845 0.2966 -0.2982 -0.2568 447 GLN B OE1 3413 N NE2 . GLN A 429 ? 1.6971 0.6835 0.8653 0.3181 -0.3369 -0.2702 447 GLN B NE2 3414 N N . ALA A 430 ? 1.3995 0.6579 0.8310 0.1901 -0.2778 -0.1947 448 ALA B N 3415 C CA . ALA A 430 ? 1.3265 0.6527 0.8108 0.1676 -0.2591 -0.1801 448 ALA B CA 3416 C C . ALA A 430 ? 1.4048 0.7288 0.8731 0.1560 -0.2602 -0.1814 448 ALA B C 3417 O O . ALA A 430 ? 1.4338 0.7386 0.8621 0.1774 -0.2567 -0.1978 448 ALA B O 3418 C CB . ALA A 430 ? 1.2284 0.6224 0.7480 0.1869 -0.2272 -0.1835 448 ALA B CB 3419 N N . ARG A 431 ? 1.3890 0.7342 0.8884 0.1230 -0.2646 -0.1637 449 ARG B N 3420 C CA . ARG A 431 ? 1.4564 0.7975 0.9429 0.1082 -0.2690 -0.1622 449 ARG B CA 3421 C C . ARG A 431 ? 1.4033 0.8103 0.9429 0.0873 -0.2516 -0.1464 449 ARG B C 3422 O O . ARG A 431 ? 1.3706 0.8033 0.9511 0.0694 -0.2518 -0.1303 449 ARG B O 3423 C CB . ARG A 431 ? 1.5664 0.8442 1.0224 0.0862 -0.3036 -0.1560 449 ARG B CB 3424 C CG . ARG A 431 ? 1.5845 0.8661 1.0754 0.0575 -0.3182 -0.1347 449 ARG B CG 3425 C CD . ARG A 431 ? 1.7026 0.9128 1.1561 0.0413 -0.3546 -0.1307 449 ARG B CD 3426 N NE . ARG A 431 ? 1.7995 0.9528 1.2092 0.0653 -0.3663 -0.1459 449 ARG B NE 3427 C CZ . ARG A 431 ? 1.9211 1.0022 1.2896 0.0566 -0.3992 -0.1457 449 ARG B CZ 3428 N NH1 . ARG A 431 ? 1.9447 1.0052 1.3126 0.0228 -0.4234 -0.1300 449 ARG B NH1 3429 N NH2 . ARG A 431 ? 2.0247 1.0537 1.3519 0.0817 -0.4087 -0.1605 449 ARG B NH2 3430 N N . GLU A 432 ? 1.3938 0.8271 0.9308 0.0906 -0.2365 -0.1512 450 GLU B N 3431 C CA . GLU A 432 ? 1.3327 0.8229 0.9142 0.0719 -0.2214 -0.1373 450 GLU B CA 3432 C C . GLU A 432 ? 1.3346 0.8182 0.8957 0.0630 -0.2246 -0.1387 450 GLU B C 3433 O O . GLU A 432 ? 1.4269 0.8883 0.9473 0.0811 -0.2225 -0.1544 450 GLU B O 3434 C CB . GLU A 432 ? 1.3428 0.8924 0.9560 0.0871 -0.1911 -0.1398 450 GLU B CB 3435 C CG . GLU A 432 ? 1.3534 0.9197 0.9955 0.0924 -0.1863 -0.1354 450 GLU B CG 3436 C CD . GLU A 432 ? 1.3213 0.8979 0.9994 0.0656 -0.1960 -0.1156 450 GLU B CD 3437 O OE1 . GLU A 432 ? 1.3065 0.9048 1.0042 0.0452 -0.1954 -0.1038 450 GLU B OE1 3438 O OE2 . GLU A 432 ? 1.3173 0.8812 1.0034 0.0658 -0.2041 -0.1115 450 GLU B OE2 3439 N N . GLY A 433 ? 1.2600 0.7639 0.8490 0.0363 -0.2294 -0.1221 451 GLY B N 3440 C CA . GLY A 433 ? 1.2160 0.7160 0.7902 0.0248 -0.2340 -0.1207 451 GLY B CA 3441 C C . GLY A 433 ? 1.1426 0.7020 0.7512 0.0207 -0.2103 -0.1143 451 GLY B C 3442 O O . GLY A 433 ? 1.1782 0.7802 0.8294 0.0168 -0.1967 -0.1047 451 GLY B O 3443 N N . TYR A 434 ? 1.1343 0.6936 0.7215 0.0216 -0.2064 -0.1195 452 TYR B N 3444 C CA . TYR A 434 ? 1.0634 0.6731 0.6765 0.0179 -0.1854 -0.1141 452 TYR B CA 3445 C C . TYR A 434 ? 1.1020 0.6996 0.6943 0.0061 -0.1939 -0.1123 452 TYR B C 3446 O O . TYR A 434 ? 1.2082 0.7602 0.7568 0.0092 -0.2097 -0.1213 452 TYR B O 3447 C CB . TYR A 434 ? 1.0454 0.6835 0.6552 0.0414 -0.1597 -0.1263 452 TYR B CB 3448 C CG . TYR A 434 ? 1.0040 0.6602 0.6362 0.0543 -0.1493 -0.1282 452 TYR B CG 3449 C CD1 . TYR A 434 ? 0.9084 0.6078 0.5875 0.0453 -0.1378 -0.1159 452 TYR B CD1 3450 C CD2 . TYR A 434 ? 1.0331 0.6618 0.6374 0.0768 -0.1513 -0.1424 452 TYR B CD2 3451 C CE1 . TYR A 434 ? 0.8753 0.5907 0.5739 0.0567 -0.1291 -0.1174 452 TYR B CE1 3452 C CE2 . TYR A 434 ? 0.9716 0.6172 0.5964 0.0891 -0.1424 -0.1438 452 TYR B CE2 3453 C CZ . TYR A 434 ? 0.9389 0.6282 0.6112 0.0782 -0.1315 -0.1310 452 TYR B CZ 3454 O OH . TYR A 434 ? 0.9626 0.6683 0.6545 0.0899 -0.1235 -0.1321 452 TYR B OH 3455 N N . ARG A 435 ? 1.0637 0.7010 0.6859 -0.0066 -0.1837 -0.1007 453 ARG B N 3456 C CA . ARG A 435 ? 1.0933 0.7271 0.7022 -0.0185 -0.1896 -0.0968 453 ARG B CA 3457 C C . ARG A 435 ? 1.0313 0.7076 0.6524 -0.0136 -0.1652 -0.0970 453 ARG B C 3458 O O . ARG A 435 ? 1.0086 0.7249 0.6674 -0.0151 -0.1502 -0.0895 453 ARG B O 3459 C CB . ARG A 435 ? 1.1016 0.7381 0.7363 -0.0432 -0.2069 -0.0784 453 ARG B CB 3460 C CG . ARG A 435 ? 1.1849 0.8218 0.8103 -0.0559 -0.2133 -0.0726 453 ARG B CG 3461 C CD . ARG A 435 ? 1.2775 0.9231 0.9325 -0.0786 -0.2298 -0.0532 453 ARG B CD 3462 N NE . ARG A 435 ? 1.4518 1.0930 1.0948 -0.0904 -0.2394 -0.0477 453 ARG B NE 3463 C CZ . ARG A 435 ? 1.5617 1.2072 1.2232 -0.1099 -0.2566 -0.0313 453 ARG B CZ 3464 N NH1 . ARG A 435 ? 1.5649 1.2205 1.2577 -0.1202 -0.2654 -0.0182 453 ARG B NH1 3465 N NH2 . ARG A 435 ? 1.6138 1.2554 1.2626 -0.1190 -0.2651 -0.0271 453 ARG B NH2 3466 N N . ALA A 436 ? 1.0448 0.7110 0.6322 -0.0082 -0.1620 -0.1053 454 ALA B N 3467 C CA . ALA A 436 ? 1.0609 0.7636 0.6541 -0.0051 -0.1407 -0.1050 454 ALA B CA 3468 C C . ALA A 436 ? 1.0965 0.7909 0.6752 -0.0192 -0.1496 -0.0991 454 ALA B C 3469 O O . ALA A 436 ? 1.1756 0.8308 0.7166 -0.0198 -0.1657 -0.1052 454 ALA B O 3470 C CB . ALA A 436 ? 1.0909 0.7960 0.6560 0.0180 -0.1239 -0.1208 454 ALA B CB 3471 N N . ILE A 437 ? 1.0277 0.7565 0.6346 -0.0303 -0.1405 -0.0873 455 ILE B N 3472 C CA . ILE A 437 ? 1.0018 0.7271 0.6002 -0.0441 -0.1486 -0.0797 455 ILE B CA 3473 C C . ILE A 437 ? 0.9899 0.7333 0.5712 -0.0378 -0.1302 -0.0843 455 ILE B C 3474 O O . ILE A 437 ? 0.9698 0.7441 0.5651 -0.0293 -0.1097 -0.0863 455 ILE B O 3475 C CB . ILE A 437 ? 0.9729 0.7212 0.6131 -0.0605 -0.1535 -0.0620 455 ILE B CB 3476 C CG1 . ILE A 437 ? 1.0693 0.8099 0.7323 -0.0650 -0.1665 -0.0564 455 ILE B CG1 3477 C CG2 . ILE A 437 ? 0.9201 0.6580 0.5502 -0.0746 -0.1677 -0.0536 455 ILE B CG2 3478 C CD1 . ILE A 437 ? 1.0764 0.8439 0.7820 -0.0780 -0.1692 -0.0390 455 ILE B CD1 3479 N N . ALA A 438 ? 0.9779 0.7023 0.5284 -0.0430 -0.1383 -0.0851 456 ALA B N 3480 C CA . ALA A 438 ? 0.9754 0.7141 0.5051 -0.0383 -0.1225 -0.0887 456 ALA B CA 3481 C C . ALA A 438 ? 0.9164 0.6903 0.4762 -0.0499 -0.1123 -0.0752 456 ALA B C 3482 O O . ALA A 438 ? 0.8954 0.6716 0.4783 -0.0635 -0.1235 -0.0630 456 ALA B O 3483 C CB . ALA A 438 ? 1.0090 0.7129 0.4929 -0.0403 -0.1357 -0.0937 456 ALA B CB 3484 N N . TYR A 439 ? 0.9293 0.7308 0.4876 -0.0441 -0.0913 -0.0770 457 TYR B N 3485 C CA . TYR A 439 ? 0.8777 0.7063 0.4544 -0.0552 -0.0825 -0.0652 457 TYR B CA 3486 C C . TYR A 439 ? 0.8994 0.7101 0.4544 -0.0665 -0.0947 -0.0596 457 TYR B C 3487 O O . TYR A 439 ? 0.9410 0.7293 0.4570 -0.0627 -0.0989 -0.0672 457 TYR B O 3488 C CB . TYR A 439 ? 0.8730 0.7314 0.4457 -0.0478 -0.0595 -0.0685 457 TYR B CB 3489 C CG . TYR A 439 ? 0.8608 0.7462 0.4506 -0.0595 -0.0498 -0.0564 457 TYR B CG 3490 C CD1 . TYR A 439 ? 0.8648 0.7469 0.4314 -0.0679 -0.0497 -0.0517 457 TYR B CD1 3491 C CD2 . TYR A 439 ? 0.8060 0.7178 0.4320 -0.0620 -0.0414 -0.0500 457 TYR B CD2 3492 C CE1 . TYR A 439 ? 0.8449 0.7475 0.4240 -0.0791 -0.0423 -0.0404 457 TYR B CE1 3493 C CE2 . TYR A 439 ? 0.7870 0.7184 0.4246 -0.0728 -0.0342 -0.0393 457 TYR B CE2 3494 C CZ . TYR A 439 ? 0.8254 0.7515 0.4394 -0.0815 -0.0350 -0.0344 457 TYR B CZ 3495 O OH . TYR A 439 ? 0.7944 0.7358 0.4173 -0.0928 -0.0296 -0.0235 457 TYR B OH 3496 N N . SER A 440 ? 0.8737 0.6932 0.4521 -0.0793 -0.1005 -0.0463 458 SER B N 3497 C CA . SER A 440 ? 0.8913 0.6952 0.4536 -0.0903 -0.1137 -0.0391 458 SER B CA 3498 C C . SER A 440 ? 0.9739 0.7950 0.5296 -0.0957 -0.1015 -0.0330 458 SER B C 3499 O O . SER A 440 ? 0.9528 0.7983 0.5347 -0.0984 -0.0911 -0.0259 458 SER B O 3500 C CB . SER A 440 ? 0.8705 0.6719 0.4615 -0.0999 -0.1305 -0.0274 458 SER B CB 3501 O OG . SER A 440 ? 0.9062 0.6870 0.4970 -0.0988 -0.1460 -0.0312 458 SER B OG 3502 N N . SER A 441 ? 0.9622 0.7681 0.4808 -0.0978 -0.1039 -0.0352 459 SER B N 3503 C CA . SER A 441 ? 0.9502 0.7683 0.4578 -0.1049 -0.0946 -0.0282 459 SER B CA 3504 C C . SER A 441 ? 1.0031 0.7961 0.4797 -0.1124 -0.1092 -0.0251 459 SER B C 3505 O O . SER A 441 ? 1.0679 0.8365 0.5135 -0.1080 -0.1177 -0.0339 459 SER B O 3506 C CB . SER A 441 ? 0.9711 0.8081 0.4621 -0.0974 -0.0733 -0.0350 459 SER B CB 3507 O OG . SER A 441 ? 1.0030 0.8488 0.4785 -0.1065 -0.0664 -0.0272 459 SER B OG 3508 N N . LEU A 442 ? 0.9815 0.7785 0.4644 -0.1230 -0.1129 -0.0129 460 LEU B N 3509 C CA . LEU A 442 ? 0.9805 0.7547 0.4367 -0.1307 -0.1280 -0.0083 460 LEU B CA 3510 C C . LEU A 442 ? 1.1638 0.9322 0.5768 -0.1304 -0.1191 -0.0128 460 LEU B C 3511 O O . LEU A 442 ? 1.1992 0.9437 0.5810 -0.1341 -0.1317 -0.0130 460 LEU B O 3512 C CB . LEU A 442 ? 0.9603 0.7399 0.4369 -0.1401 -0.1352 0.0065 460 LEU B CB 3513 C CG . LEU A 442 ? 0.9594 0.7249 0.4487 -0.1444 -0.1578 0.0135 460 LEU B CG 3514 C CD1 . LEU A 442 ? 1.0558 0.8176 0.5622 -0.1393 -0.1655 0.0074 460 LEU B CD1 3515 C CD2 . LEU A 442 ? 0.9301 0.7092 0.4491 -0.1481 -0.1600 0.0269 460 LEU B CD2 3516 N N . SER A 443 ? 1.1339 0.9252 0.5445 -0.1262 -0.0978 -0.0159 461 SER B N 3517 C CA . SER A 443 ? 1.1187 0.9114 0.4902 -0.1251 -0.0864 -0.0192 461 SER B CA 3518 C C . SER A 443 ? 1.1534 0.9459 0.5047 -0.1094 -0.0766 -0.0344 461 SER B C 3519 O O . SER A 443 ? 1.1971 1.0000 0.5202 -0.1049 -0.0619 -0.0379 461 SER B O 3520 C CB . SER A 443 ? 1.0317 0.8532 0.4120 -0.1328 -0.0695 -0.0096 461 SER B CB 3521 O OG . SER A 443 ? 1.0015 0.8517 0.4101 -0.1265 -0.0539 -0.0124 461 SER B OG 3522 N N . GLN A 444 ? 1.1119 0.8918 0.4750 -0.1005 -0.0850 -0.0432 462 GLN B N 3523 C CA . GLN A 444 ? 1.1363 0.9128 0.4816 -0.0833 -0.0771 -0.0583 462 GLN B CA 3524 C C . GLN A 444 ? 1.0961 0.9116 0.4518 -0.0755 -0.0514 -0.0597 462 GLN B C 3525 O O . GLN A 444 ? 1.1531 0.9739 0.4813 -0.0618 -0.0387 -0.0694 462 GLN B O 3526 C CB . GLN A 444 ? 1.2385 0.9837 0.5299 -0.0769 -0.0841 -0.0677 462 GLN B CB 3527 C CG . GLN A 444 ? 1.3202 1.0375 0.5912 -0.0905 -0.1038 -0.0606 462 GLN B CG 3528 C CD . GLN A 444 ? 1.3722 1.0696 0.6678 -0.0991 -0.1276 -0.0557 462 GLN B CD 3529 O OE1 . GLN A 444 ? 1.4361 1.1287 0.7510 -0.0933 -0.1329 -0.0611 462 GLN B OE1 3530 N NE2 . GLN A 444 ? 1.3689 1.0564 0.6644 -0.1132 -0.1421 -0.0444 462 GLN B NE2 3531 N N . SER A 445 ? 1.0252 0.8689 0.4205 -0.0837 -0.0439 -0.0496 463 SER B N 3532 C CA . SER A 445 ? 1.0858 0.9695 0.4947 -0.0808 -0.0213 -0.0475 463 SER B CA 3533 C C . SER A 445 ? 1.0520 0.9514 0.4983 -0.0726 -0.0169 -0.0514 463 SER B C 3534 O O . SER A 445 ? 0.9408 0.8364 0.4188 -0.0796 -0.0268 -0.0457 463 SER B O 3535 C CB . SER A 445 ? 0.9914 0.8932 0.4111 -0.0985 -0.0168 -0.0319 463 SER B CB 3536 O OG . SER A 445 ? 1.2032 1.1437 0.6306 -0.0981 0.0041 -0.0285 463 SER B OG 3537 N N . TYR A 446 ? 1.0757 0.9939 0.5177 -0.0568 -0.0018 -0.0607 464 TYR B N 3538 C CA . TYR A 446 ? 0.9526 0.8824 0.4251 -0.0466 0.0016 -0.0661 464 TYR B CA 3539 C C . TYR A 446 ? 1.1114 1.0858 0.5959 -0.0397 0.0243 -0.0654 464 TYR B C 3540 O O . TYR A 446 ? 1.1162 1.1089 0.5770 -0.0366 0.0379 -0.0652 464 TYR B O 3541 C CB . TYR A 446 ? 0.9790 0.8771 0.4329 -0.0301 -0.0086 -0.0809 464 TYR B CB 3542 C CG . TYR A 446 ? 1.0005 0.8554 0.4354 -0.0377 -0.0316 -0.0813 464 TYR B CG 3543 C CD1 . TYR A 446 ? 0.9730 0.8156 0.4365 -0.0496 -0.0477 -0.0737 464 TYR B CD1 3544 C CD2 . TYR A 446 ? 1.0496 0.8777 0.4378 -0.0330 -0.0371 -0.0883 464 TYR B CD2 3545 C CE1 . TYR A 446 ? 1.1402 0.9481 0.5893 -0.0574 -0.0692 -0.0722 464 TYR B CE1 3546 C CE2 . TYR A 446 ? 1.0704 0.8596 0.4417 -0.0413 -0.0596 -0.0876 464 TYR B CE2 3547 C CZ . TYR A 446 ? 1.1408 0.9216 0.5442 -0.0540 -0.0758 -0.0791 464 TYR B CZ 3548 O OH . TYR A 446 ? 1.1739 0.9205 0.5635 -0.0631 -0.0987 -0.0768 464 TYR B OH 3549 N N . LEU A 447 ? 1.0618 1.0551 0.5836 -0.0375 0.0282 -0.0643 465 LEU B N 3550 C CA . LEU A 447 ? 0.9814 1.0190 0.5208 -0.0317 0.0478 -0.0627 465 LEU B CA 3551 C C . LEU A 447 ? 0.9586 0.9991 0.5169 -0.0147 0.0490 -0.0725 465 LEU B C 3552 O O . LEU A 447 ? 0.8562 0.8764 0.4345 -0.0169 0.0358 -0.0733 465 LEU B O 3553 C CB . LEU A 447 ? 0.9237 0.9872 0.4928 -0.0512 0.0519 -0.0472 465 LEU B CB 3554 C CG . LEU A 447 ? 0.8372 0.9483 0.4283 -0.0486 0.0701 -0.0434 465 LEU B CG 3555 C CD1 . LEU A 447 ? 0.8685 1.0060 0.4331 -0.0406 0.0866 -0.0449 465 LEU B CD1 3556 C CD2 . LEU A 447 ? 0.8077 0.9355 0.4247 -0.0698 0.0700 -0.0281 465 LEU B CD2 3557 N N . TYR A 448 ? 0.9906 1.0581 0.5425 0.0027 0.0650 -0.0793 466 TYR B N 3558 C CA . TYR A 448 ? 1.0083 1.0797 0.5750 0.0214 0.0671 -0.0891 466 TYR B CA 3559 C C . TYR A 448 ? 1.0180 1.1432 0.6051 0.0274 0.0875 -0.0851 466 TYR B C 3560 O O . TYR A 448 ? 1.0360 1.1880 0.6042 0.0348 0.1026 -0.0852 466 TYR B O 3561 C CB . TYR A 448 ? 1.0452 1.0841 0.5746 0.0437 0.0621 -0.1056 466 TYR B CB 3562 C CG . TYR A 448 ? 1.0815 1.1293 0.6187 0.0670 0.0681 -0.1162 466 TYR B CG 3563 C CD1 . TYR A 448 ? 1.0753 1.1060 0.6373 0.0679 0.0566 -0.1185 466 TYR B CD1 3564 C CD2 . TYR A 448 ? 1.1223 1.1965 0.6414 0.0890 0.0854 -0.1235 466 TYR B CD2 3565 C CE1 . TYR A 448 ? 1.1126 1.1492 0.6804 0.0894 0.0611 -0.1280 466 TYR B CE1 3566 C CE2 . TYR A 448 ? 1.1339 1.2157 0.6592 0.1123 0.0904 -0.1334 466 TYR B CE2 3567 C CZ . TYR A 448 ? 1.1625 1.2239 0.7118 0.1121 0.0777 -0.1357 466 TYR B CZ 3568 O OH . TYR A 448 ? 1.2169 1.2838 0.7710 0.1354 0.0818 -0.1452 466 TYR B OH 3569 N N . ILE A 449 ? 0.9540 1.0966 0.5794 0.0243 0.0879 -0.0810 467 ILE B N 3570 C CA . ILE A 449 ? 0.9412 1.1360 0.5908 0.0276 0.1050 -0.0755 467 ILE B CA 3571 C C . ILE A 449 ? 0.9391 1.1372 0.6012 0.0500 0.1066 -0.0863 467 ILE B C 3572 O O . ILE A 449 ? 0.9542 1.1164 0.6201 0.0543 0.0924 -0.0931 467 ILE B O 3573 C CB . ILE A 449 ? 0.9154 1.1310 0.5986 0.0030 0.1043 -0.0596 467 ILE B CB 3574 C CG1 . ILE A 449 ? 0.8497 1.0388 0.5576 -0.0020 0.0895 -0.0600 467 ILE B CG1 3575 C CG2 . ILE A 449 ? 0.9493 1.1589 0.6172 -0.0184 0.1019 -0.0488 467 ILE B CG2 3576 C CD1 . ILE A 449 ? 0.7900 0.9941 0.5264 -0.0236 0.0878 -0.0459 467 ILE B CD1 3577 N N . ASP A 450 ? 0.9691 1.2123 0.6375 0.0642 0.1240 -0.0868 468 ASP B N 3578 C CA . ASP A 450 ? 1.0508 1.3023 0.7300 0.0880 0.1273 -0.0967 468 ASP B CA 3579 C C . ASP A 450 ? 1.1500 1.4629 0.8406 0.0994 0.1483 -0.0927 468 ASP B C 3580 O O . ASP A 450 ? 1.2313 1.5673 0.9002 0.1041 0.1610 -0.0913 468 ASP B O 3581 C CB . ASP A 450 ? 1.1197 1.3257 0.7626 0.1115 0.1191 -0.1142 468 ASP B CB 3582 C CG . ASP A 450 ? 1.1550 1.3614 0.8064 0.1363 0.1196 -0.1248 468 ASP B CG 3583 O OD1 . ASP A 450 ? 1.1493 1.3746 0.8379 0.1308 0.1192 -0.1190 468 ASP B OD1 3584 O OD2 . ASP A 450 ? 1.2000 1.3850 0.8186 0.1619 0.1197 -0.1391 468 ASP B OD2 3585 N N . TRP A 451 ? 1.2272 1.5678 0.9508 0.1053 0.1519 -0.0909 469 TRP B N 3586 C CA . TRP A 451 ? 1.3499 1.7566 1.0978 0.1034 0.1693 -0.0798 469 TRP B CA 3587 C C . TRP A 451 ? 1.5415 1.9852 1.2881 0.1348 0.1841 -0.0874 469 TRP B C 3588 O O . TRP A 451 ? 1.5645 2.0470 1.3436 0.1382 0.1898 -0.0823 469 TRP B O 3589 C CB . TRP A 451 ? 1.3112 1.7319 1.1010 0.0834 0.1634 -0.0685 469 TRP B CB 3590 C CG . TRP A 451 ? 1.2873 1.6868 1.0943 0.0968 0.1538 -0.0774 469 TRP B CG 3591 C CD1 . TRP A 451 ? 1.2788 1.7076 1.1027 0.1175 0.1609 -0.0815 469 TRP B CD1 3592 C CD2 . TRP A 451 ? 1.2828 1.6299 1.0919 0.0898 0.1355 -0.0818 469 TRP B CD2 3593 N NE1 . TRP A 451 ? 1.2779 1.6732 1.1126 0.1232 0.1478 -0.0883 469 TRP B NE1 3594 C CE2 . TRP A 451 ? 1.2777 1.6238 1.1040 0.1061 0.1325 -0.0883 469 TRP B CE2 3595 C CE3 . TRP A 451 ? 1.2840 1.5872 1.0827 0.0719 0.1214 -0.0800 469 TRP B CE3 3596 C CZ2 . TRP A 451 ? 1.2565 1.5596 1.0894 0.1036 0.1163 -0.0924 469 TRP B CZ2 3597 C CZ3 . TRP A 451 ? 1.2722 1.5359 1.0792 0.0704 0.1059 -0.0840 469 TRP B CZ3 3598 C CH2 . TRP A 451 ? 1.2557 1.5197 1.0793 0.0855 0.1036 -0.0899 469 TRP B CH2 3599 N N . THR A 452 ? 1.7202 2.1584 1.4296 0.1578 0.1919 -0.0979 470 THR B N 3600 C CA . THR A 452 ? 1.7558 2.2083 1.4558 0.1951 0.2010 -0.1107 470 THR B CA 3601 C C . THR A 452 ? 1.8162 2.2179 1.5218 0.2023 0.1829 -0.1216 470 THR B C 3602 O O . THR A 452 ? 1.8282 2.1708 1.5151 0.1931 0.1659 -0.1274 470 THR B O 3603 C CB . THR A 452 ? 1.6830 2.2136 1.4116 0.2036 0.2209 -0.1008 470 THR B CB 3604 O OG1 . THR A 452 ? 1.6594 2.2322 1.4098 0.1721 0.2276 -0.0809 470 THR B OG1 3605 C CG2 . THR A 452 ? 1.6909 2.2472 1.3891 0.2376 0.2382 -0.1096 470 THR B CG2 3606 N N . ASP A 453 ? 1.8560 2.2783 1.5881 0.2163 0.1845 -0.1233 471 ASP B N 3607 C CA . ASP A 453 ? 1.9032 2.2723 1.6370 0.2207 0.1659 -0.1328 471 ASP B CA 3608 C C . ASP A 453 ? 1.9157 2.3094 1.6945 0.2139 0.1638 -0.1253 471 ASP B C 3609 O O . ASP A 453 ? 1.8755 2.3290 1.6822 0.2150 0.1773 -0.1161 471 ASP B O 3610 C CB . ASP A 453 ? 1.9488 2.2802 1.6459 0.2560 0.1620 -0.1520 471 ASP B CB 3611 C CG . ASP A 453 ? 1.9595 2.2157 1.6362 0.2502 0.1391 -0.1610 471 ASP B CG 3612 O OD1 . ASP A 453 ? 1.9434 2.1822 1.6443 0.2426 0.1270 -0.1594 471 ASP B OD1 3613 O OD2 . ASP A 453 ? 1.9820 2.1985 1.6196 0.2511 0.1328 -0.1681 471 ASP B OD2 3614 N N . ASN A 454 ? 1.9755 2.3203 1.7588 0.2078 0.1456 -0.1295 472 ASN B N 3615 C CA . ASN A 454 ? 1.9777 2.3271 1.7993 0.1918 0.1378 -0.1212 472 ASN B CA 3616 C C . ASN A 454 ? 2.0102 2.3727 1.8473 0.2152 0.1389 -0.1269 472 ASN B C 3617 O O . ASN A 454 ? 1.9761 2.3410 1.8433 0.2046 0.1320 -0.1210 472 ASN B O 3618 C CB . ASN A 454 ? 1.9633 2.2533 1.7792 0.1742 0.1180 -0.1224 472 ASN B CB 3619 C CG . ASN A 454 ? 1.9939 2.2391 1.7685 0.1753 0.1112 -0.1305 472 ASN B CG 3620 O OD1 . ASN A 454 ? 2.0150 2.2104 1.7659 0.1875 0.0981 -0.1419 472 ASN B OD1 3621 N ND2 . ASN A 454 ? 1.9933 2.2547 1.7577 0.1616 0.1188 -0.1239 472 ASN B ND2 3622 N N . HIS A 455 ? 2.0830 2.4518 1.8982 0.2477 0.1467 -0.1385 473 HIS B N 3623 C CA . HIS A 455 ? 2.0962 2.4825 1.9248 0.2732 0.1492 -0.1436 473 HIS B CA 3624 C C . HIS A 455 ? 2.0188 2.4778 1.8601 0.2882 0.1706 -0.1384 473 HIS B C 3625 O O . HIS A 455 ? 2.0588 2.5293 1.8721 0.3054 0.1821 -0.1439 473 HIS B O 3626 C CB . HIS A 455 ? 2.2211 2.5516 2.0126 0.3027 0.1388 -0.1620 473 HIS B CB 3627 C CG . HIS A 455 ? 2.3201 2.5837 2.0778 0.2919 0.1232 -0.1687 473 HIS B CG 3628 N ND1 . HIS A 455 ? 2.3828 2.6325 2.1035 0.2962 0.1271 -0.1744 473 HIS B ND1 3629 C CD2 . HIS A 455 ? 2.3463 2.5552 2.1023 0.2767 0.1032 -0.1698 473 HIS B CD2 3630 C CE1 . HIS A 455 ? 2.4098 2.5979 2.1074 0.2838 0.1092 -0.1789 473 HIS B CE1 3631 N NE2 . HIS A 455 ? 2.3909 2.5552 2.1105 0.2715 0.0948 -0.1756 473 HIS B NE2 3632 N N . LYS A 456 ? 1.9289 2.4383 1.8114 0.2821 0.1761 -0.1272 474 LYS B N 3633 C CA . LYS A 456 ? 1.7446 2.2401 1.6577 0.2643 0.1629 -0.1213 474 LYS B CA 3634 C C . LYS A 456 ? 1.5911 2.0811 1.5206 0.2242 0.1567 -0.1079 474 LYS B C 3635 O O . LYS A 456 ? 1.5874 2.0866 1.5066 0.2086 0.1626 -0.1022 474 LYS B O 3636 C CB . LYS A 456 ? 1.7230 2.2758 1.6719 0.2745 0.1707 -0.1145 474 LYS B CB 3637 C CG . LYS A 456 ? 1.7240 2.2560 1.6691 0.3053 0.1641 -0.1266 474 LYS B CG 3638 C CD . LYS A 456 ? 1.6493 2.1655 1.6228 0.2895 0.1503 -0.1212 474 LYS B CD 3639 C CE . LYS A 456 ? 1.6373 2.1047 1.5948 0.3143 0.1377 -0.1350 474 LYS B CE 3640 N NZ . LYS A 456 ? 1.6561 2.0572 1.5702 0.3207 0.1282 -0.1481 474 LYS B NZ 3641 N N . ALA A 457 ? 1.4483 1.9220 1.4014 0.2088 0.1447 -0.1031 475 ALA B N 3642 C CA . ALA A 457 ? 1.2614 1.7277 1.2294 0.1737 0.1380 -0.0910 475 ALA B CA 3643 C C . ALA A 457 ? 1.1565 1.6830 1.1463 0.1559 0.1502 -0.0756 475 ALA B C 3644 O O . ALA A 457 ? 1.1317 1.7120 1.1356 0.1686 0.1625 -0.0721 475 ALA B O 3645 C CB . ALA A 457 ? 1.1551 1.5981 1.1443 0.1646 0.1245 -0.0887 475 ALA B CB 3646 N N . LEU A 458 ? 1.0751 1.5922 1.0673 0.1259 0.1458 -0.0656 476 LEU B N 3647 C CA . LEU A 458 ? 0.9888 1.5554 0.9959 0.1054 0.1551 -0.0503 476 LEU B CA 3648 C C . LEU A 458 ? 0.8634 1.4663 0.9067 0.0956 0.1539 -0.0394 476 LEU B C 3649 O O . LEU A 458 ? 0.8200 1.3955 0.8752 0.0857 0.1415 -0.0385 476 LEU B O 3650 C CB . LEU A 458 ? 0.9977 1.5367 0.9926 0.0772 0.1489 -0.0434 476 LEU B CB 3651 C CG . LEU A 458 ? 1.0104 1.5078 0.9690 0.0842 0.1472 -0.0536 476 LEU B CG 3652 C CD1 . LEU A 458 ? 1.0240 1.5015 0.9733 0.0561 0.1417 -0.0448 476 LEU B CD1 3653 C CD2 . LEU A 458 ? 1.0160 1.5419 0.9560 0.1061 0.1621 -0.0593 476 LEU B CD2 3654 N N . LEU A 459 ? 0.8401 1.5060 0.9005 0.0990 0.1665 -0.0308 477 LEU B N 3655 C CA . LEU A 459 ? 0.7883 1.4956 0.8836 0.0892 0.1654 -0.0192 477 LEU B CA 3656 C C . LEU A 459 ? 0.7699 1.5037 0.8761 0.0547 0.1656 -0.0009 477 LEU B C 3657 O O . LEU A 459 ? 0.7751 1.5342 0.8709 0.0478 0.1756 0.0055 477 LEU B O 3658 C CB . LEU A 459 ? 0.7547 1.5189 0.8649 0.1156 0.1780 -0.0199 477 LEU B CB 3659 C CG . LEU A 459 ? 0.7348 1.4758 0.8287 0.1538 0.1794 -0.0384 477 LEU B CG 3660 C CD1 . LEU A 459 ? 0.7348 1.5389 0.8438 0.1803 0.1933 -0.0374 477 LEU B CD1 3661 C CD2 . LEU A 459 ? 0.6748 1.3643 0.7717 0.1571 0.1634 -0.0467 477 LEU B CD2 3662 N N . VAL A 460 ? 0.7597 1.4853 0.8843 0.0330 0.1538 0.0077 478 VAL B N 3663 C CA . VAL A 460 ? 0.7857 1.5298 0.9179 -0.0008 0.1511 0.0252 478 VAL B CA 3664 C C . VAL A 460 ? 0.8079 1.6274 0.9594 -0.0033 0.1638 0.0386 478 VAL B C 3665 O O . VAL A 460 ? 0.8177 1.6788 0.9923 0.0122 0.1684 0.0395 478 VAL B O 3666 C CB . VAL A 460 ? 0.7856 1.5046 0.9315 -0.0201 0.1353 0.0306 478 VAL B CB 3667 C CG1 . VAL A 460 ? 0.8249 1.5669 0.9962 -0.0053 0.1334 0.0288 478 VAL B CG1 3668 C CG2 . VAL A 460 ? 0.7616 1.4971 0.9128 -0.0550 0.1305 0.0489 478 VAL B CG2 3669 N N . GLY A 461 ? 0.8165 1.6558 0.9585 -0.0224 0.1698 0.0498 479 GLY B N 3670 C CA . GLY A 461 ? 0.8493 1.7625 1.0069 -0.0268 0.1832 0.0645 479 GLY B CA 3671 C C . GLY A 461 ? 0.9127 1.8458 1.0500 -0.0067 0.2003 0.0588 479 GLY B C 3672 O O . GLY A 461 ? 0.9635 1.9471 1.1048 -0.0170 0.2107 0.0729 479 GLY B O 3673 N N . GLU A 462 ? 0.9216 1.8119 1.0353 0.0212 0.2018 0.0389 480 GLU B N 3674 C CA . GLU A 462 ? 0.9938 1.8940 1.0822 0.0421 0.2165 0.0315 480 GLU B CA 3675 C C . GLU A 462 ? 1.0585 1.9282 1.1198 0.0193 0.2144 0.0357 480 GLU B C 3676 O O . GLU A 462 ? 1.0908 1.9513 1.1579 -0.0141 0.2048 0.0489 480 GLU B O 3677 C CB . GLU A 462 ? 1.0185 1.8777 1.0877 0.0789 0.2161 0.0087 480 GLU B CB 3678 C CG . GLU A 462 ? 1.0259 1.9097 1.1181 0.1045 0.2175 0.0031 480 GLU B CG 3679 C CD . GLU A 462 ? 1.0442 1.8921 1.1119 0.1431 0.2189 -0.0186 480 GLU B CD 3680 O OE1 . GLU A 462 ? 1.0482 1.9364 1.1168 0.1732 0.2321 -0.0230 480 GLU B OE1 3681 O OE2 . GLU A 462 ? 1.0395 1.8187 1.0861 0.1433 0.2064 -0.0308 480 GLU B OE2 3682 N N . HIS A 463 ? 1.0709 1.9220 1.1004 0.0378 0.2223 0.0243 481 HIS B N 3683 C CA . HIS A 463 ? 1.0228 1.8436 1.0241 0.0190 0.2202 0.0272 481 HIS B CA 3684 C C . HIS A 463 ? 0.9675 1.7278 0.9338 0.0407 0.2166 0.0070 481 HIS B C 3685 O O . HIS A 463 ? 1.0312 1.7907 0.9879 0.0738 0.2229 -0.0075 481 HIS B O 3686 C CB . HIS A 463 ? 1.0624 1.9415 1.0594 0.0114 0.2367 0.0415 481 HIS B CB 3687 C CG . HIS A 463 ? 1.0658 1.9913 1.0905 -0.0222 0.2355 0.0651 481 HIS B CG 3688 N ND1 . HIS A 463 ? 1.0593 1.9632 1.0759 -0.0580 0.2258 0.0781 481 HIS B ND1 3689 C CD2 . HIS A 463 ? 1.0828 2.0561 1.1410 -0.0254 0.2356 0.0772 481 HIS B CD2 3690 C CE1 . HIS A 463 ? 1.0687 2.0123 1.1116 -0.0828 0.2226 0.0976 481 HIS B CE1 3691 N NE2 . HIS A 463 ? 1.0860 2.0684 1.1547 -0.0637 0.2268 0.0972 481 HIS B NE2 3692 N N . LEU A 464 ? 0.8903 1.5992 0.8367 0.0214 0.2054 0.0067 482 LEU B N 3693 C CA . LEU A 464 ? 0.8247 1.4710 0.7394 0.0351 0.1979 -0.0101 482 LEU B CA 3694 C C . LEU A 464 ? 0.8210 1.4660 0.7029 0.0324 0.2056 -0.0088 482 LEU B C 3695 O O . LEU A 464 ? 0.8383 1.4753 0.7141 0.0049 0.2013 0.0028 482 LEU B O 3696 C CB . LEU A 464 ? 0.7615 1.3515 0.6791 0.0166 0.1787 -0.0109 482 LEU B CB 3697 C CG . LEU A 464 ? 0.7418 1.2685 0.6324 0.0296 0.1684 -0.0270 482 LEU B CG 3698 C CD1 . LEU A 464 ? 0.6883 1.2100 0.5787 0.0617 0.1702 -0.0423 482 LEU B CD1 3699 C CD2 . LEU A 464 ? 0.7393 1.2199 0.6362 0.0099 0.1510 -0.0248 482 LEU B CD2 3700 N N . ASN A 465 ? 0.8477 1.4979 0.7061 0.0617 0.2163 -0.0209 483 ASN B N 3701 C CA . ASN A 465 ? 0.9104 1.5625 0.7345 0.0634 0.2255 -0.0208 483 ASN B CA 3702 C C . ASN A 465 ? 0.9288 1.5082 0.7183 0.0689 0.2122 -0.0357 483 ASN B C 3703 O O . ASN A 465 ? 1.0175 1.5716 0.7847 0.0975 0.2121 -0.0527 483 ASN B O 3704 C CB . ASN A 465 ? 0.9742 1.6765 0.7903 0.0936 0.2455 -0.0249 483 ASN B CB 3705 C CG . ASN A 465 ? 1.0676 1.7616 0.8409 0.1033 0.2543 -0.0298 483 ASN B CG 3706 O OD1 . ASN A 465 ? 1.0641 1.7457 0.8231 0.0789 0.2514 -0.0207 483 ASN B OD1 3707 N ND2 . ASN A 465 ? 1.1322 1.8304 0.8824 0.1400 0.2645 -0.0444 483 ASN B ND2 3708 N N . ILE A 466 ? 0.8983 1.4428 0.6820 0.0414 0.1998 -0.0289 484 ILE B N 3709 C CA . ILE A 466 ? 0.9647 1.4423 0.7204 0.0436 0.1851 -0.0409 484 ILE B CA 3710 C C . ILE A 466 ? 0.9947 1.4636 0.7106 0.0455 0.1907 -0.0425 484 ILE B C 3711 O O . ILE A 466 ? 0.9956 1.5007 0.7079 0.0316 0.2015 -0.0294 484 ILE B O 3712 C CB . ILE A 466 ? 0.9724 1.4128 0.7423 0.0171 0.1673 -0.0343 484 ILE B CB 3713 C CG1 . ILE A 466 ? 1.0476 1.4240 0.7971 0.0251 0.1515 -0.0481 484 ILE B CG1 3714 C CG2 . ILE A 466 ? 0.9550 1.4023 0.7190 -0.0117 0.1671 -0.0187 484 ILE B CG2 3715 C CD1 . ILE A 466 ? 1.0758 1.4161 0.8369 0.0029 0.1348 -0.0423 484 ILE B CD1 3716 N N . ILE A 467 ? 1.0161 1.4352 0.7005 0.0621 0.1825 -0.0584 485 ILE B N 3717 C CA . ILE A 467 ? 1.0723 1.4730 0.7136 0.0672 0.1851 -0.0630 485 ILE B CA 3718 C C . ILE A 467 ? 1.0885 1.4330 0.7162 0.0474 0.1660 -0.0626 485 ILE B C 3719 O O . ILE A 467 ? 1.0608 1.3616 0.6930 0.0495 0.1500 -0.0707 485 ILE B O 3720 C CB . ILE A 467 ? 1.0843 1.4693 0.6945 0.1032 0.1893 -0.0820 485 ILE B CB 3721 C CG1 . ILE A 467 ? 1.0943 1.5359 0.7216 0.1260 0.2076 -0.0828 485 ILE B CG1 3722 C CG2 . ILE A 467 ? 1.1079 1.4765 0.6710 0.1085 0.1931 -0.0862 485 ILE B CG2 3723 C CD1 . ILE A 467 ? 1.1605 1.5867 0.7547 0.1647 0.2123 -0.1019 485 ILE B CD1 3724 N N . VAL A 468 ? 1.1206 1.4679 0.7321 0.0283 0.1677 -0.0521 486 VAL B N 3725 C CA . VAL A 468 ? 1.1316 1.4321 0.7307 0.0082 0.1506 -0.0490 486 VAL B CA 3726 C C . VAL A 468 ? 1.2298 1.5024 0.7815 0.0184 0.1498 -0.0576 486 VAL B C 3727 O O . VAL A 468 ? 1.3262 1.6237 0.8577 0.0148 0.1620 -0.0509 486 VAL B O 3728 C CB . VAL A 468 ? 1.0751 1.3951 0.6907 -0.0229 0.1506 -0.0295 486 VAL B CB 3729 C CG1 . VAL A 468 ? 1.0732 1.3455 0.6717 -0.0405 0.1338 -0.0266 486 VAL B CG1 3730 C CG2 . VAL A 468 ? 1.0289 1.3704 0.6880 -0.0329 0.1491 -0.0218 486 VAL B CG2 3731 N N . THR A 469 ? 1.2358 1.4566 0.7686 0.0301 0.1350 -0.0717 487 THR B N 3732 C CA . THR A 469 ? 1.2554 1.4426 0.7403 0.0406 0.1311 -0.0815 487 THR B CA 3733 C C . THR A 469 ? 1.1884 1.3266 0.6629 0.0215 0.1103 -0.0788 487 THR B C 3734 O O . THR A 469 ? 1.2554 1.3566 0.7393 0.0217 0.0934 -0.0847 487 THR B O 3735 C CB . THR A 469 ? 1.3282 1.4921 0.7922 0.0716 0.1294 -0.1007 487 THR B CB 3736 O OG1 . THR A 469 ? 1.3791 1.5049 0.8607 0.0703 0.1109 -0.1065 487 THR B OG1 3737 C CG2 . THR A 469 ? 1.3366 1.5506 0.8128 0.0931 0.1498 -0.1034 487 THR B CG2 3738 N N . PRO A 470 ? 1.1357 1.2735 0.5921 0.0044 0.1105 -0.0689 488 PRO B N 3739 C CA . PRO A 470 ? 0.9948 1.0853 0.4367 -0.0104 0.0904 -0.0673 488 PRO B CA 3740 C C . PRO A 470 ? 1.1347 1.1887 0.5270 0.0029 0.0843 -0.0793 488 PRO B C 3741 O O . PRO A 470 ? 1.2001 1.2698 0.5622 0.0173 0.0984 -0.0842 488 PRO B O 3742 C CB . PRO A 470 ? 1.0003 1.1111 0.4479 -0.0357 0.0942 -0.0494 488 PRO B CB 3743 C CG . PRO A 470 ? 0.9995 1.1591 0.4386 -0.0296 0.1170 -0.0453 488 PRO B CG 3744 C CD . PRO A 470 ? 1.1445 1.3292 0.6004 -0.0063 0.1281 -0.0554 488 PRO B CD 3745 N N . LYS A 471 ? 1.1102 1.1150 0.4937 -0.0019 0.0625 -0.0838 489 LYS B N 3746 C CA . LYS A 471 ? 1.1003 1.0634 0.4359 0.0064 0.0518 -0.0939 489 LYS B CA 3747 C C . LYS A 471 ? 1.1913 1.1238 0.5238 -0.0158 0.0328 -0.0850 489 LYS B C 3748 O O . LYS A 471 ? 1.1517 1.0678 0.5126 -0.0259 0.0177 -0.0813 489 LYS B O 3749 C CB . LYS A 471 ? 1.1202 1.0488 0.4432 0.0271 0.0413 -0.1109 489 LYS B CB 3750 C CG . LYS A 471 ? 1.1820 1.0742 0.4476 0.0428 0.0360 -0.1242 489 LYS B CG 3751 C CD . LYS A 471 ? 1.2803 1.2063 0.5194 0.0614 0.0603 -0.1284 489 LYS B CD 3752 C CE . LYS A 471 ? 1.3637 1.2543 0.5411 0.0735 0.0557 -0.1389 489 LYS B CE 3753 N NZ . LYS A 471 ? 1.3868 1.2611 0.5492 0.0503 0.0454 -0.1283 489 LYS B NZ 3754 N N . SER A 472 ? 1.2910 1.2169 0.5888 -0.0223 0.0337 -0.0810 490 SER B N 3755 C CA . SER A 472 ? 1.3044 1.2106 0.6017 -0.0446 0.0188 -0.0695 490 SER B CA 3756 C C . SER A 472 ? 1.3545 1.2559 0.6073 -0.0484 0.0227 -0.0665 490 SER B C 3757 O O . SER A 472 ? 1.3950 1.3189 0.6240 -0.0358 0.0409 -0.0706 490 SER B O 3758 C CB . SER A 472 ? 1.0755 1.0112 0.4168 -0.0630 0.0230 -0.0539 490 SER B CB 3759 O OG . SER A 472 ? 1.0761 0.9976 0.4123 -0.0830 0.0121 -0.0416 490 SER B OG 3760 N N . PRO A 473 ? 1.3577 1.2310 0.5973 -0.0642 0.0062 -0.0594 491 PRO B N 3761 C CA . PRO A 473 ? 1.3471 1.2283 0.5597 -0.0761 0.0123 -0.0491 491 PRO B CA 3762 C C . PRO A 473 ? 1.3716 1.2904 0.6190 -0.0933 0.0230 -0.0326 491 PRO B C 3763 O O . PRO A 473 ? 1.3956 1.3327 0.6846 -0.0945 0.0257 -0.0304 491 PRO B O 3764 C CB . PRO A 473 ? 1.3004 1.1363 0.4933 -0.0869 -0.0122 -0.0471 491 PRO B CB 3765 C CG . PRO A 473 ? 1.2951 1.1136 0.5239 -0.0888 -0.0293 -0.0488 491 PRO B CG 3766 C CD . PRO A 473 ? 1.3076 1.1391 0.5522 -0.0705 -0.0197 -0.0609 491 PRO B CD 3767 N N . TYR A 474 ? 1.3974 1.3255 0.6253 -0.1074 0.0281 -0.0205 492 TYR B N 3768 C CA . TYR A 474 ? 1.3477 1.3085 0.6014 -0.1256 0.0374 -0.0037 492 TYR B CA 3769 C C . TYR A 474 ? 1.2581 1.2678 0.5368 -0.1183 0.0592 -0.0036 492 TYR B C 3770 O O . TYR A 474 ? 1.2557 1.2905 0.5662 -0.1321 0.0638 0.0083 492 TYR B O 3771 C CB . TYR A 474 ? 1.3232 1.2673 0.6111 -0.1403 0.0205 0.0046 492 TYR B CB 3772 C CG . TYR A 474 ? 1.4343 1.3339 0.7061 -0.1467 -0.0025 0.0056 492 TYR B CG 3773 C CD1 . TYR A 474 ? 1.4754 1.3447 0.7482 -0.1359 -0.0181 -0.0060 492 TYR B CD1 3774 C CD2 . TYR A 474 ? 1.5344 1.4228 0.7911 -0.1644 -0.0097 0.0192 492 TYR B CD2 3775 C CE1 . TYR A 474 ? 1.5662 1.3989 0.8270 -0.1426 -0.0398 -0.0036 492 TYR B CE1 3776 C CE2 . TYR A 474 ? 1.6092 1.4592 0.8526 -0.1694 -0.0312 0.0207 492 TYR B CE2 3777 C CZ . TYR A 474 ? 1.6300 1.4542 0.8767 -0.1585 -0.0460 0.0095 492 TYR B CZ 3778 O OH . TYR A 474 ? 1.6721 1.4621 0.9080 -0.1641 -0.0680 0.0124 492 TYR B OH 3779 N N . ILE A 475 ? 1.2402 1.2630 0.5041 -0.0961 0.0718 -0.0167 493 ILE B N 3780 C CA . ILE A 475 ? 1.2887 1.3594 0.5787 -0.0864 0.0917 -0.0173 493 ILE B CA 3781 C C . ILE A 475 ? 1.3948 1.5118 0.6875 -0.1019 0.1089 -0.0001 493 ILE B C 3782 O O . ILE A 475 ? 1.3967 1.5458 0.7261 -0.1130 0.1152 0.0102 493 ILE B O 3783 C CB . ILE A 475 ? 1.3257 1.3987 0.5935 -0.0568 0.1015 -0.0351 493 ILE B CB 3784 C CG1 . ILE A 475 ? 1.3139 1.3543 0.5968 -0.0432 0.0869 -0.0497 493 ILE B CG1 3785 C CG2 . ILE A 475 ? 1.3275 1.4596 0.6098 -0.0469 0.1267 -0.0322 493 ILE B CG2 3786 C CD1 . ILE A 475 ? 1.3449 1.3833 0.6064 -0.0130 0.0948 -0.0676 493 ILE B CD1 3787 N N . ASP A 476 ? 1.4555 1.5763 0.7082 -0.1038 0.1162 0.0040 494 ASP B N 3788 C CA . ASP A 476 ? 1.5199 1.6889 0.7712 -0.1173 0.1343 0.0207 494 ASP B CA 3789 C C . ASP A 476 ? 1.5562 1.7164 0.8134 -0.1489 0.1239 0.0400 494 ASP B C 3790 O O . ASP A 476 ? 1.6771 1.8625 0.9181 -0.1637 0.1339 0.0549 494 ASP B O 3791 C CB . ASP A 476 ? 1.6259 1.8072 0.8304 -0.1036 0.1488 0.0170 494 ASP B CB 3792 C CG . ASP A 476 ? 1.6908 1.8202 0.8564 -0.0847 0.1362 -0.0015 494 ASP B CG 3793 O OD1 . ASP A 476 ? 1.7213 1.8019 0.8848 -0.0942 0.1135 -0.0035 494 ASP B OD1 3794 O OD2 . ASP A 476 ? 1.7104 1.8476 0.8468 -0.0599 0.1484 -0.0139 494 ASP B OD2 3795 N N . LYS A 477 ? 1.4879 1.6125 0.7661 -0.1591 0.1039 0.0406 495 LYS B N 3796 C CA . LYS A 477 ? 1.4829 1.6013 0.7730 -0.1868 0.0944 0.0585 495 LYS B CA 3797 C C . LYS A 477 ? 1.4090 1.5367 0.7459 -0.1932 0.0904 0.0619 495 LYS B C 3798 O O . LYS A 477 ? 1.4363 1.5555 0.7841 -0.2146 0.0812 0.0758 495 LYS B O 3799 C CB . LYS A 477 ? 1.5505 1.6150 0.8169 -0.1949 0.0726 0.0590 495 LYS B CB 3800 C CG . LYS A 477 ? 1.6915 1.7506 0.9141 -0.2063 0.0743 0.0688 495 LYS B CG 3801 C CD . LYS A 477 ? 1.7555 1.8296 0.9821 -0.2344 0.0753 0.0911 495 LYS B CD 3802 C CE . LYS A 477 ? 1.7748 1.9063 1.0012 -0.2398 0.0990 0.1016 495 LYS B CE 3803 N NZ . LYS A 477 ? 1.7704 1.9144 1.0019 -0.2699 0.0975 0.1244 495 LYS B NZ 3804 N N . ILE A 478 ? 1.3228 1.4656 0.6852 -0.1746 0.0965 0.0495 496 ILE B N 3805 C CA . ILE A 478 ? 1.2854 1.4418 0.6912 -0.1798 0.0948 0.0529 496 ILE B CA 3806 C C . ILE A 478 ? 1.3146 1.5230 0.7348 -0.1934 0.1110 0.0679 496 ILE B C 3807 O O . ILE A 478 ? 1.3209 1.5703 0.7341 -0.1837 0.1297 0.0671 496 ILE B O 3808 C CB . ILE A 478 ? 1.2302 1.3859 0.6566 -0.1557 0.0959 0.0354 496 ILE B CB 3809 C CG1 . ILE A 478 ? 1.1918 1.2995 0.5978 -0.1423 0.0810 0.0211 496 ILE B CG1 3810 C CG2 . ILE A 478 ? 1.1676 1.3286 0.6367 -0.1614 0.0908 0.0384 496 ILE B CG2 3811 C CD1 . ILE A 478 ? 1.1303 1.2375 0.5423 -0.1166 0.0844 0.0033 496 ILE B CD1 3812 N N . THR A 479 ? 1.3359 1.5433 0.7757 -0.2157 0.1032 0.0820 497 THR B N 3813 C CA . THR A 479 ? 1.3610 1.6149 0.8132 -0.2336 0.1153 0.0990 497 THR B CA 3814 C C . THR A 479 ? 1.3714 1.6649 0.8619 -0.2239 0.1258 0.0953 497 THR B C 3815 O O . THR A 479 ? 1.4295 1.7757 0.9262 -0.2220 0.1439 0.1007 497 THR B O 3816 C CB . THR A 479 ? 1.3721 1.6041 0.8245 -0.2627 0.1008 0.1162 497 THR B CB 3817 O OG1 . THR A 479 ? 1.4340 1.6405 0.9138 -0.2621 0.0870 0.1119 497 THR B OG1 3818 C CG2 . THR A 479 ? 1.3325 1.5224 0.7471 -0.2707 0.0888 0.1195 497 THR B CG2 3819 N N . HIS A 480 ? 1.3246 1.5958 0.8412 -0.2171 0.1149 0.0867 498 HIS B N 3820 C CA . HIS A 480 ? 1.2742 1.5795 0.8278 -0.2109 0.1223 0.0850 498 HIS B CA 3821 C C . HIS A 480 ? 1.1746 1.4535 0.7443 -0.1889 0.1149 0.0667 498 HIS B C 3822 O O . HIS A 480 ? 1.1734 1.4076 0.7285 -0.1817 0.1024 0.0574 498 HIS B O 3823 C CB . HIS A 480 ? 1.2892 1.6014 0.8639 -0.2367 0.1154 0.1015 498 HIS B CB 3824 C CG . HIS A 480 ? 1.3962 1.7346 0.9573 -0.2620 0.1208 0.1218 498 HIS B CG 3825 N ND1 . HIS A 480 ? 1.4481 1.8474 1.0220 -0.2671 0.1379 0.1321 498 HIS B ND1 3826 C CD2 . HIS A 480 ? 1.4485 1.7612 0.9845 -0.2844 0.1109 0.1349 498 HIS B CD2 3827 C CE1 . HIS A 480 ? 1.4903 1.9012 1.0478 -0.2930 0.1382 0.1514 498 HIS B CE1 3828 N NE2 . HIS A 480 ? 1.4985 1.8555 1.0318 -0.3040 0.1217 0.1531 498 HIS B NE2 3829 N N . TYR A 481 ? 1.0813 1.3899 0.6818 -0.1791 0.1223 0.0628 499 TYR B N 3830 C CA . TYR A 481 ? 1.0426 1.3301 0.6646 -0.1629 0.1145 0.0491 499 TYR B CA 3831 C C . TYR A 481 ? 0.9710 1.2582 0.6229 -0.1778 0.1063 0.0578 499 TYR B C 3832 O O . TYR A 481 ? 0.9604 1.2770 0.6220 -0.1963 0.1107 0.0724 499 TYR B O 3833 C CB . TYR A 481 ? 1.0240 1.3409 0.6558 -0.1370 0.1282 0.0363 499 TYR B CB 3834 C CG . TYR A 481 ? 1.0674 1.3764 0.6666 -0.1177 0.1344 0.0245 499 TYR B CG 3835 C CD1 . TYR A 481 ? 1.0736 1.3328 0.6469 -0.1146 0.1212 0.0166 499 TYR B CD1 3836 C CD2 . TYR A 481 ? 1.0998 1.4515 0.6927 -0.1017 0.1532 0.0214 499 TYR B CD2 3837 C CE1 . TYR A 481 ? 1.1417 1.3898 0.6818 -0.0975 0.1252 0.0055 499 TYR B CE1 3838 C CE2 . TYR A 481 ? 1.1237 1.4647 0.6822 -0.0823 0.1586 0.0097 499 TYR B CE2 3839 C CZ . TYR A 481 ? 1.1513 1.4386 0.6825 -0.0809 0.1440 0.0016 499 TYR B CZ 3840 O OH . TYR A 481 ? 1.1836 1.4564 0.6773 -0.0620 0.1477 -0.0103 499 TYR B OH 3841 N N . ASN A 482 ? 0.8986 1.1525 0.5641 -0.1703 0.0939 0.0492 500 ASN B N 3842 C CA . ASN A 482 ? 0.8309 1.0777 0.5206 -0.1820 0.0848 0.0558 500 ASN B CA 3843 C C . ASN A 482 ? 0.8329 1.0804 0.5491 -0.1636 0.0843 0.0438 500 ASN B C 3844 O O . ASN A 482 ? 0.8268 1.0592 0.5384 -0.1444 0.0836 0.0302 500 ASN B O 3845 C CB . ASN A 482 ? 0.8209 1.0211 0.4977 -0.1945 0.0676 0.0608 500 ASN B CB 3846 C CG . ASN A 482 ? 0.9187 1.1094 0.5633 -0.2080 0.0666 0.0694 500 ASN B CG 3847 O OD1 . ASN A 482 ? 0.9267 1.1370 0.5654 -0.2270 0.0704 0.0835 500 ASN B OD1 3848 N ND2 . ASN A 482 ? 0.9550 1.1157 0.5781 -0.1991 0.0605 0.0619 500 ASN B ND2 3849 N N . TYR A 483 ? 0.8068 1.0704 0.5490 -0.1705 0.0837 0.0494 501 TYR B N 3850 C CA . TYR A 483 ? 0.7600 1.0293 0.5279 -0.1540 0.0845 0.0395 501 TYR B CA 3851 C C . TYR A 483 ? 0.7626 1.0192 0.5503 -0.1643 0.0742 0.0452 501 TYR B C 3852 O O . TYR A 483 ? 0.7646 1.0243 0.5512 -0.1848 0.0705 0.0583 501 TYR B O 3853 C CB . TYR A 483 ? 0.7720 1.0911 0.5537 -0.1433 0.1006 0.0374 501 TYR B CB 3854 C CG . TYR A 483 ? 0.8068 1.1667 0.6043 -0.1612 0.1064 0.0523 501 TYR B CG 3855 C CD1 . TYR A 483 ? 0.8335 1.2229 0.6179 -0.1752 0.1152 0.0642 501 TYR B CD1 3856 C CD2 . TYR A 483 ? 0.8055 1.1752 0.6305 -0.1649 0.1027 0.0552 501 TYR B CD2 3857 C CE1 . TYR A 483 ? 0.8809 1.3097 0.6808 -0.1938 0.1194 0.0796 501 TYR B CE1 3858 C CE2 . TYR A 483 ? 0.8388 1.2451 0.6779 -0.1828 0.1061 0.0695 501 TYR B CE2 3859 C CZ . TYR A 483 ? 0.8942 1.3307 0.7216 -0.1979 0.1142 0.0822 501 TYR B CZ 3860 O OH . TYR A 483 ? 0.9571 1.4317 0.7998 -0.2180 0.1163 0.0982 501 TYR B OH 3861 N N . LEU A 484 ? 0.7256 0.9666 0.5293 -0.1497 0.0692 0.0354 502 LEU B N 3862 C CA . LEU A 484 ? 0.6616 0.8925 0.4851 -0.1537 0.0611 0.0380 502 LEU B CA 3863 C C . LEU A 484 ? 0.6893 0.9390 0.5365 -0.1362 0.0666 0.0288 502 LEU B C 3864 O O . LEU A 484 ? 0.7362 0.9775 0.5819 -0.1181 0.0679 0.0171 502 LEU B O 3865 C CB . LEU A 484 ? 0.6100 0.7953 0.4265 -0.1532 0.0469 0.0364 502 LEU B CB 3866 C CG . LEU A 484 ? 0.6379 0.7963 0.4292 -0.1664 0.0390 0.0438 502 LEU B CG 3867 C CD1 . LEU A 484 ? 0.6469 0.7675 0.4344 -0.1575 0.0275 0.0386 502 LEU B CD1 3868 C CD2 . LEU A 484 ? 0.6628 0.8187 0.4508 -0.1869 0.0337 0.0570 502 LEU B CD2 3869 N N . ILE A 485 ? 0.6245 0.8978 0.4921 -0.1421 0.0685 0.0343 503 ILE B N 3870 C CA . ILE A 485 ? 0.6188 0.9110 0.5098 -0.1267 0.0729 0.0270 503 ILE B CA 3871 C C . ILE A 485 ? 0.6483 0.9177 0.5530 -0.1291 0.0621 0.0279 503 ILE B C 3872 O O . ILE A 485 ? 0.7449 1.0108 0.6505 -0.1460 0.0562 0.0380 503 ILE B O 3873 C CB . ILE A 485 ? 0.6017 0.9451 0.5069 -0.1295 0.0846 0.0327 503 ILE B CB 3874 C CG1 . ILE A 485 ? 0.6760 1.0437 0.5648 -0.1278 0.0963 0.0335 503 ILE B CG1 3875 C CG2 . ILE A 485 ? 0.5676 0.9293 0.4956 -0.1108 0.0889 0.0242 503 ILE B CG2 3876 C CD1 . ILE A 485 ? 0.7064 1.1304 0.6093 -0.1307 0.1089 0.0411 503 ILE B CD1 3877 N N . LEU A 486 ? 0.5961 0.8490 0.5094 -0.1122 0.0590 0.0178 504 LEU B N 3878 C CA . LEU A 486 ? 0.6495 0.8807 0.5747 -0.1112 0.0497 0.0177 504 LEU B CA 3879 C C . LEU A 486 ? 0.7073 0.9576 0.6551 -0.0982 0.0534 0.0121 504 LEU B C 3880 O O . LEU A 486 ? 0.7519 1.0186 0.7033 -0.0837 0.0608 0.0043 504 LEU B O 3881 C CB . LEU A 486 ? 0.6288 0.8222 0.5450 -0.1039 0.0412 0.0128 504 LEU B CB 3882 C CG . LEU A 486 ? 0.6623 0.8271 0.5604 -0.1157 0.0326 0.0194 504 LEU B CG 3883 C CD1 . LEU A 486 ? 0.6600 0.8278 0.5372 -0.1224 0.0362 0.0213 504 LEU B CD1 3884 C CD2 . LEU A 486 ? 0.6570 0.7915 0.5558 -0.1064 0.0238 0.0157 504 LEU B CD2 3885 N N . SER A 487 ? 0.6714 0.9169 0.6319 -0.1025 0.0476 0.0159 505 SER B N 3886 C CA . SER A 487 ? 0.6561 0.9158 0.6375 -0.0906 0.0494 0.0112 505 SER B CA 3887 C C . SER A 487 ? 0.6485 0.8853 0.6362 -0.0930 0.0400 0.0137 505 SER B C 3888 O O . SER A 487 ? 0.6455 0.8728 0.6268 -0.1076 0.0342 0.0219 505 SER B O 3889 C CB . SER A 487 ? 0.6248 0.9276 0.6195 -0.0944 0.0573 0.0155 505 SER B CB 3890 O OG . SER A 487 ? 0.6087 0.9253 0.6227 -0.0804 0.0591 0.0100 505 SER B OG 3891 N N . LYS A 488 ? 0.6319 0.8587 0.6300 -0.0784 0.0380 0.0069 506 LYS B N 3892 C CA . LYS A 488 ? 0.6010 0.8084 0.6054 -0.0776 0.0304 0.0088 506 LYS B CA 3893 C C . LYS A 488 ? 0.6391 0.8156 0.6275 -0.0855 0.0228 0.0137 506 LYS B C 3894 O O . LYS A 488 ? 0.6678 0.8311 0.6539 -0.0913 0.0167 0.0187 506 LYS B O 3895 C CB . LYS A 488 ? 0.5531 0.7790 0.5696 -0.0840 0.0299 0.0135 506 LYS B CB 3896 C CG . LYS A 488 ? 0.5498 0.8071 0.5844 -0.0736 0.0366 0.0090 506 LYS B CG 3897 C CD . LYS A 488 ? 0.5643 0.8446 0.6109 -0.0828 0.0356 0.0155 506 LYS B CD 3898 C CE . LYS A 488 ? 0.6003 0.9005 0.6405 -0.1010 0.0377 0.0244 506 LYS B CE 3899 N NZ . LYS A 488 ? 0.6054 0.9376 0.6483 -0.0958 0.0487 0.0221 506 LYS B NZ 3900 N N . GLY A 489 ? 0.6345 0.7983 0.6100 -0.0848 0.0225 0.0122 507 GLY B N 3901 C CA . GLY A 489 ? 0.5534 0.6886 0.5144 -0.0894 0.0152 0.0164 507 GLY B CA 3902 C C . GLY A 489 ? 0.5367 0.6659 0.4814 -0.1055 0.0122 0.0243 507 GLY B C 3903 O O . GLY A 489 ? 0.5775 0.6805 0.5092 -0.1084 0.0048 0.0284 507 GLY B O 3904 N N . LYS A 490 ? 0.5299 0.6827 0.4741 -0.1159 0.0174 0.0272 508 LYS B N 3905 C CA . LYS A 490 ? 0.5827 0.7305 0.5108 -0.1342 0.0137 0.0363 508 LYS B CA 3906 C C . LYS A 490 ? 0.6073 0.7784 0.5293 -0.1417 0.0214 0.0381 508 LYS B C 3907 O O . LYS A 490 ? 0.6180 0.8204 0.5530 -0.1355 0.0307 0.0341 508 LYS B O 3908 C CB . LYS A 490 ? 0.6512 0.8061 0.5851 -0.1443 0.0100 0.0422 508 LYS B CB 3909 C CG . LYS A 490 ? 0.7220 0.8517 0.6574 -0.1370 0.0023 0.0409 508 LYS B CG 3910 C CD . LYS A 490 ? 0.7784 0.9099 0.7144 -0.1486 -0.0034 0.0470 508 LYS B CD 3911 C CE . LYS A 490 ? 0.8220 0.9264 0.7558 -0.1392 -0.0108 0.0450 508 LYS B CE 3912 N NZ . LYS A 490 ? 0.8998 0.9997 0.8291 -0.1512 -0.0185 0.0508 508 LYS B NZ 3913 N N . ILE A 491 ? 0.5950 0.7505 0.4957 -0.1538 0.0175 0.0442 509 ILE B N 3914 C CA . ILE A 491 ? 0.6403 0.8174 0.5322 -0.1626 0.0248 0.0475 509 ILE B CA 3915 C C . ILE A 491 ? 0.6627 0.8712 0.5625 -0.1777 0.0280 0.0561 509 ILE B C 3916 O O . ILE A 491 ? 0.7109 0.9069 0.6011 -0.1950 0.0197 0.0658 509 ILE B O 3917 C CB . ILE A 491 ? 0.6912 0.8414 0.5570 -0.1724 0.0187 0.0527 509 ILE B CB 3918 C CG1 . ILE A 491 ? 0.6521 0.7741 0.5122 -0.1580 0.0144 0.0454 509 ILE B CG1 3919 C CG2 . ILE A 491 ? 0.7026 0.8769 0.5583 -0.1816 0.0270 0.0567 509 ILE B CG2 3920 C CD1 . ILE A 491 ? 0.5821 0.6743 0.4174 -0.1664 0.0062 0.0510 509 ILE B CD1 3921 N N . ILE A 492 ? 0.6541 0.9029 0.5707 -0.1712 0.0393 0.0532 510 ILE B N 3922 C CA . ILE A 492 ? 0.6575 0.9432 0.5855 -0.1851 0.0428 0.0626 510 ILE B CA 3923 C C . ILE A 492 ? 0.6905 1.0000 0.6065 -0.1999 0.0492 0.0718 510 ILE B C 3924 O O . ILE A 492 ? 0.7385 1.0676 0.6561 -0.2202 0.0473 0.0846 510 ILE B O 3925 C CB . ILE A 492 ? 0.6240 0.9453 0.5783 -0.1699 0.0514 0.0563 510 ILE B CB 3926 C CG1 . ILE A 492 ? 0.5930 0.9308 0.5478 -0.1506 0.0633 0.0462 510 ILE B CG1 3927 C CG2 . ILE A 492 ? 0.5968 0.8953 0.5623 -0.1591 0.0441 0.0499 510 ILE B CG2 3928 C CD1 . ILE A 492 ? 0.5944 0.9664 0.5722 -0.1338 0.0717 0.0398 510 ILE B CD1 3929 N N . HIS A 493 ? 0.7151 1.0235 0.6180 -0.1914 0.0560 0.0666 511 HIS B N 3930 C CA . HIS A 493 ? 0.8130 1.1457 0.7032 -0.2045 0.0632 0.0755 511 HIS B CA 3931 C C . HIS A 493 ? 0.8059 1.1068 0.6692 -0.2032 0.0609 0.0726 511 HIS B C 3932 O O . HIS A 493 ? 0.8251 1.0931 0.6832 -0.1888 0.0560 0.0622 511 HIS B O 3933 C CB . HIS A 493 ? 0.8317 1.2175 0.7363 -0.1931 0.0796 0.0731 511 HIS B CB 3934 C CG . HIS A 493 ? 0.8503 1.2747 0.7823 -0.1954 0.0825 0.0779 511 HIS B CG 3935 N ND1 . HIS A 493 ? 0.8984 1.3361 0.8512 -0.1740 0.0869 0.0672 511 HIS B ND1 3936 C CD2 . HIS A 493 ? 0.8527 1.3051 0.7943 -0.2173 0.0804 0.0931 511 HIS B CD2 3937 C CE1 . HIS A 493 ? 0.8900 1.3634 0.8648 -0.1815 0.0879 0.0752 511 HIS B CE1 3938 N NE2 . HIS A 493 ? 0.8756 1.3592 0.8447 -0.2083 0.0838 0.0912 511 HIS B NE2 3939 N N . PHE A 494 ? 0.7031 1.0162 0.5498 -0.2194 0.0641 0.0829 512 PHE B N 3940 C CA . PHE A 494 ? 0.7370 1.0240 0.5564 -0.2204 0.0621 0.0820 512 PHE B CA 3941 C C . PHE A 494 ? 0.7853 1.1030 0.5920 -0.2372 0.0701 0.0945 512 PHE B C 3942 O O . PHE A 494 ? 0.8042 1.1508 0.6202 -0.2553 0.0713 0.1075 512 PHE B O 3943 C CB . PHE A 494 ? 0.7751 1.0095 0.5783 -0.2292 0.0455 0.0848 512 PHE B CB 3944 C CG . PHE A 494 ? 0.8371 1.0647 0.6311 -0.2555 0.0366 0.1006 512 PHE B CG 3945 C CD1 . PHE A 494 ? 0.8353 1.0646 0.6443 -0.2631 0.0302 0.1050 512 PHE B CD1 3946 C CD2 . PHE A 494 ? 0.9310 1.1477 0.6992 -0.2733 0.0332 0.1112 512 PHE B CD2 3947 C CE1 . PHE A 494 ? 0.8570 1.0753 0.6544 -0.2884 0.0197 0.1196 512 PHE B CE1 3948 C CE2 . PHE A 494 ? 0.9702 1.1765 0.7272 -0.2988 0.0230 0.1264 512 PHE B CE2 3949 C CZ . PHE A 494 ? 0.9276 1.1336 0.6988 -0.3066 0.0157 0.1305 512 PHE B CZ 3950 N N . GLY A 495 ? 0.7949 1.1066 0.5799 -0.2324 0.0749 0.0914 513 GLY B N 3951 C CA . GLY A 495 ? 0.7831 1.1230 0.5533 -0.2484 0.0828 0.1040 513 GLY B CA 3952 C C . GLY A 495 ? 0.8392 1.1736 0.5854 -0.2370 0.0898 0.0972 513 GLY B C 3953 O O . GLY A 495 ? 0.8579 1.1581 0.5952 -0.2205 0.0848 0.0841 513 GLY B O 3954 N N . THR A 496 ? 0.8592 1.2299 0.5948 -0.2467 0.1012 0.1072 514 THR B N 3955 C CA . THR A 496 ? 0.9439 1.3098 0.6504 -0.2414 0.1073 0.1046 514 THR B CA 3956 C C . THR A 496 ? 0.9960 1.4221 0.7046 -0.2379 0.1272 0.1095 514 THR B C 3957 O O . THR A 496 ? 1.0024 1.4706 0.7271 -0.2540 0.1327 0.1241 514 THR B O 3958 C CB . THR A 496 ? 0.9736 1.3057 0.6527 -0.2648 0.0954 0.1168 514 THR B CB 3959 O OG1 . THR A 496 ? 1.0766 1.3530 0.7517 -0.2624 0.0781 0.1104 514 THR B OG1 3960 C CG2 . THR A 496 ? 0.9111 1.2437 0.5593 -0.2619 0.1026 0.1165 514 THR B CG2 3961 N N . ARG A 497 ? 1.0272 1.4574 0.7189 -0.2163 0.1375 0.0977 515 ARG B N 3962 C CA . ARG A 497 ? 1.0713 1.5566 0.7599 -0.2075 0.1577 0.1004 515 ARG B CA 3963 C C . ARG A 497 ? 1.1442 1.6185 0.7943 -0.2078 0.1620 0.1012 515 ARG B C 3964 O O . ARG A 497 ? 1.0915 1.5151 0.7187 -0.2016 0.1514 0.0912 515 ARG B O 3965 C CB . ARG A 497 ? 1.0553 1.5601 0.7585 -0.1749 0.1683 0.0832 515 ARG B CB 3966 C CG . ARG A 497 ? 1.0434 1.5626 0.7846 -0.1726 0.1652 0.0821 515 ARG B CG 3967 C CD . ARG A 497 ? 1.0435 1.6180 0.8077 -0.1933 0.1720 0.1017 515 ARG B CD 3968 N NE . ARG A 497 ? 1.0819 1.6681 0.8810 -0.1915 0.1677 0.1006 515 ARG B NE 3969 C CZ . ARG A 497 ? 1.1088 1.7335 0.9298 -0.1696 0.1790 0.0934 515 ARG B CZ 3970 N NH1 . ARG A 497 ? 1.1804 1.8353 0.9911 -0.1461 0.1956 0.0860 515 ARG B NH1 3971 N NH2 . ARG A 497 ? 1.0273 1.6590 0.8786 -0.1700 0.1733 0.0933 515 ARG B NH2 3972 N N . GLU A 498 ? 1.2569 1.7814 0.9001 -0.2155 0.1774 0.1141 516 GLU B N 3973 C CA . GLU A 498 ? 1.3407 1.8607 0.9461 -0.2168 0.1833 0.1167 516 GLU B CA 3974 C C . GLU A 498 ? 1.3668 1.8780 0.9522 -0.1826 0.1919 0.0960 516 GLU B C 3975 O O . GLU A 498 ? 1.4214 1.9649 1.0214 -0.1587 0.2045 0.0863 516 GLU B O 3976 C CB . GLU A 498 ? 1.4107 1.9923 1.0156 -0.2340 0.1988 0.1375 516 GLU B CB 3977 C CG . GLU A 498 ? 1.4677 2.0387 1.0773 -0.2706 0.1853 0.1587 516 GLU B CG 3978 C CD . GLU A 498 ? 1.5195 2.1149 1.1199 -0.2817 0.1914 0.1733 516 GLU B CD 3979 O OE1 . GLU A 498 ? 1.5378 2.1702 1.1359 -0.2611 0.2088 0.1690 516 GLU B OE1 3980 O OE2 . GLU A 498 ? 1.5361 2.1119 1.1301 -0.3103 0.1784 0.1888 516 GLU B OE2 3981 N N . LYS A 499 ? 1.3537 1.8191 0.9037 -0.1802 0.1840 0.0893 517 LYS B N 3982 C CA . LYS A 499 ? 1.3781 1.8252 0.9021 -0.1503 0.1887 0.0698 517 LYS B CA 3983 C C . LYS A 499 ? 1.4988 1.9845 0.9943 -0.1442 0.2078 0.0748 517 LYS B C 3984 O O . LYS A 499 ? 1.5399 2.0249 1.0132 -0.1647 0.2074 0.0887 517 LYS B O 3985 C CB . LYS A 499 ? 1.3105 1.6883 0.8109 -0.1510 0.1689 0.0603 517 LYS B CB 3986 C CG . LYS A 499 ? 1.2831 1.6353 0.7508 -0.1240 0.1703 0.0414 517 LYS B CG 3987 C CD . LYS A 499 ? 1.2553 1.5414 0.7067 -0.1266 0.1483 0.0334 517 LYS B CD 3988 C CE . LYS A 499 ? 1.2508 1.5075 0.6669 -0.1023 0.1471 0.0155 517 LYS B CE 3989 N NZ . LYS A 499 ? 1.2944 1.5672 0.6712 -0.1008 0.1596 0.0195 517 LYS B NZ 3990 N N . PHE A 500 ? 1.5632 2.0820 1.0580 -0.1152 0.2244 0.0637 518 PHE B N 3991 C CA . PHE A 500 ? 1.6307 2.1896 1.0980 -0.1040 0.2446 0.0670 518 PHE B CA 3992 C C . PHE A 500 ? 1.6289 2.1380 1.0467 -0.0906 0.2391 0.0534 518 PHE B C 3993 O O . PHE A 500 ? 1.6345 2.1009 1.0413 -0.0677 0.2304 0.0328 518 PHE B O 3994 C CB . PHE A 500 ? 1.6706 2.2737 1.1590 -0.0735 0.2615 0.0588 518 PHE B CB 3995 C CG . PHE A 500 ? 1.6882 2.3372 1.2286 -0.0842 0.2646 0.0709 518 PHE B CG 3996 C CD1 . PHE A 500 ? 1.6950 2.3585 1.2581 -0.1197 0.2581 0.0930 518 PHE B CD1 3997 C CD2 . PHE A 500 ? 1.6944 2.3687 1.2593 -0.0585 0.2722 0.0601 518 PHE B CD2 3998 C CE1 . PHE A 500 ? 1.6801 2.3830 1.2889 -0.1302 0.2588 0.1039 518 PHE B CE1 3999 C CE2 . PHE A 500 ? 1.6754 2.3913 1.2876 -0.0685 0.2737 0.0714 518 PHE B CE2 4000 C CZ . PHE A 500 ? 1.6643 2.3947 1.2982 -0.1049 0.2668 0.0933 518 PHE B CZ 4001 N N . SER A 501 ? 1.6640 2.1722 1.0549 -0.1045 0.2417 0.0650 519 SER B N 4002 C CA . SER A 501 ? 1.7154 2.1807 1.0548 -0.0936 0.2373 0.0538 519 SER B CA 4003 C C . SER A 501 ? 1.7975 2.2729 1.1144 -0.0560 0.2526 0.0378 519 SER B C 4004 O O . SER A 501 ? 1.8084 2.2449 1.0794 -0.0429 0.2484 0.0256 519 SER B O 4005 C CB . SER A 501 ? 1.6893 2.1470 1.0102 -0.1187 0.2344 0.0716 519 SER B CB 4006 O OG . SER A 501 ? 1.6241 2.0653 0.9625 -0.1521 0.2185 0.0859 519 SER B OG 4007 N N . ASP A 502 ? 1.8178 2.3413 1.1644 -0.0384 0.2687 0.0373 520 ASP B N 4008 C CA . ASP A 502 ? 1.8617 2.3952 1.1884 -0.0021 0.2835 0.0230 520 ASP B CA 4009 C C . ASP A 502 ? 1.8361 2.3648 1.1757 0.0263 0.2828 0.0037 520 ASP B C 4010 O O . ASP A 502 ? 1.8589 2.4287 1.2224 0.0460 0.2970 0.0021 520 ASP B O 4011 C CB . ASP A 502 ? 1.8940 2.4889 1.2414 -0.0023 0.3034 0.0388 520 ASP B CB 4012 C CG . ASP A 502 ? 1.9908 2.5949 1.3129 0.0339 0.3191 0.0254 520 ASP B CG 4013 O OD1 . ASP A 502 ? 2.0583 2.6302 1.3327 0.0415 0.3194 0.0188 520 ASP B OD1 4014 O OD2 . ASP A 502 ? 1.9939 2.6365 1.3433 0.0547 0.3305 0.0215 520 ASP B OD2 4015 N N . ALA A 503 ? 1.8122 2.2913 1.1368 0.0284 0.2654 -0.0107 521 ALA B N 4016 C CA . ALA A 503 ? 1.7362 2.1971 1.0680 0.0551 0.2604 -0.0305 521 ALA B CA 4017 C C . ALA A 503 ? 1.6910 2.0765 1.0191 0.0445 0.2326 -0.0399 521 ALA B C 4018 O O . ALA A 503 ? 1.6597 2.0197 0.9849 0.0166 0.2196 -0.0296 521 ALA B O 4019 C CB . ALA A 503 ? 1.6532 2.1635 1.0388 0.0549 0.2682 -0.0239 521 ALA B CB 4020 N N . SER A 504 ? 1.6876 2.0383 1.0153 0.0676 0.2232 -0.0589 522 SER B N 4021 C CA . SER A 504 ? 1.6540 1.9430 0.9897 0.0579 0.1974 -0.0662 522 SER B CA 4022 C C . SER A 504 ? 1.5818 1.8860 0.9724 0.0463 0.1924 -0.0602 522 SER B C 4023 O O . SER A 504 ? 1.5436 1.8220 0.9540 0.0223 0.1761 -0.0531 522 SER B O 4024 C CB . SER A 504 ? 1.6887 1.9257 0.9900 0.0868 0.1872 -0.0893 522 SER B CB 4025 O OG . SER A 504 ? 1.7323 1.9522 0.9787 0.0993 0.1912 -0.0961 522 SER B OG 4026 N N . TYR A 505 ? 1.6015 1.9478 1.0158 0.0642 0.2064 -0.0628 523 TYR B N 4027 C CA . TYR A 505 ? 1.5669 1.9346 1.0324 0.0553 0.2041 -0.0568 523 TYR B CA 4028 C C . TYR A 505 ? 1.4747 1.9155 0.9683 0.0442 0.2234 -0.0387 523 TYR B C 4029 O O . TYR A 505 ? 1.5103 1.9919 0.9856 0.0520 0.2418 -0.0338 523 TYR B O 4030 C CB . TYR A 505 ? 1.6398 1.9953 1.1126 0.0846 0.2021 -0.0741 523 TYR B CB 4031 C CG . TYR A 505 ? 1.7865 2.1586 1.2271 0.1200 0.2180 -0.0868 523 TYR B CG 4032 C CD1 . TYR A 505 ? 1.8255 2.2670 1.2812 0.1323 0.2412 -0.0800 523 TYR B CD1 4033 C CD2 . TYR A 505 ? 1.8736 2.1921 1.2675 0.1416 0.2092 -0.1052 523 TYR B CD2 4034 C CE1 . TYR A 505 ? 1.8802 2.3387 1.3051 0.1677 0.2567 -0.0916 523 TYR B CE1 4035 C CE2 . TYR A 505 ? 1.9275 2.2572 1.2873 0.1764 0.2233 -0.1178 523 TYR B CE2 4036 C CZ . TYR A 505 ? 1.9160 2.3165 1.2914 0.1906 0.2478 -0.1112 523 TYR B CZ 4037 O OH . TYR A 505 ? 1.9417 2.3493 1.2889 0.2249 0.2603 -0.1227 523 TYR B OH 4038 N N . GLN A 506 ? 1.3745 1.8323 0.9124 0.0254 0.2187 -0.0280 524 GLN B N 4039 C CA . GLN A 506 ? 1.3528 1.8798 0.9222 0.0144 0.2344 -0.0108 524 GLN B CA 4040 C C . GLN A 506 ? 1.3339 1.8703 0.9486 0.0118 0.2284 -0.0100 524 GLN B C 4041 O O . GLN A 506 ? 1.3151 1.8056 0.9407 0.0024 0.2101 -0.0142 524 GLN B O 4042 C CB . GLN A 506 ? 1.3084 1.8497 0.8769 -0.0205 0.2342 0.0103 524 GLN B CB 4043 C CG . GLN A 506 ? 1.2390 1.7356 0.8202 -0.0487 0.2128 0.0164 524 GLN B CG 4044 C CD . GLN A 506 ? 1.2032 1.7124 0.7803 -0.0818 0.2122 0.0373 524 GLN B CD 4045 O OE1 . GLN A 506 ? 1.2365 1.7602 0.7845 -0.0840 0.2220 0.0431 524 GLN B OE1 4046 N NE2 . GLN A 506 ? 1.1521 1.6541 0.7559 -0.1075 0.2003 0.0490 524 GLN B NE2 4047 N N . SER A 507 ? 1.3322 1.9300 0.9728 0.0210 0.2441 -0.0043 525 SER B N 4048 C CA . SER A 507 ? 1.2654 1.8765 0.9475 0.0224 0.2399 -0.0044 525 SER B CA 4049 C C . SER A 507 ? 1.2031 1.8249 0.9157 -0.0144 0.2316 0.0148 525 SER B C 4050 O O . SER A 507 ? 1.2579 1.9253 0.9777 -0.0342 0.2408 0.0332 525 SER B O 4051 C CB . SER A 507 ? 1.3139 1.9883 1.0117 0.0471 0.2592 -0.0049 525 SER B CB 4052 O OG . SER A 507 ? 1.3892 2.0436 1.0601 0.0850 0.2634 -0.0256 525 SER B OG 4053 N N . ILE A 508 ? 1.1266 1.7058 0.8554 -0.0235 0.2138 0.0109 526 ILE B N 4054 C CA . ILE A 508 ? 1.0591 1.6439 0.8174 -0.0535 0.2045 0.0263 526 ILE B CA 4055 C C . ILE A 508 ? 0.9823 1.5977 0.7781 -0.0443 0.2068 0.0255 526 ILE B C 4056 O O . ILE A 508 ? 0.9306 1.5210 0.7309 -0.0227 0.2017 0.0100 526 ILE B O 4057 C CB . ILE A 508 ? 1.0243 1.5435 0.7751 -0.0686 0.1836 0.0233 526 ILE B CB 4058 C CG1 . ILE A 508 ? 1.0663 1.5612 0.7835 -0.0834 0.1805 0.0286 526 ILE B CG1 4059 C CG2 . ILE A 508 ? 0.9532 1.4730 0.7349 -0.0918 0.1732 0.0349 526 ILE B CG2 4060 C CD1 . ILE A 508 ? 1.0406 1.4747 0.7503 -0.0971 0.1603 0.0268 526 ILE B CD1 4061 N N . ASN A 509 ? 0.9479 1.6169 0.7700 -0.0613 0.2135 0.0428 527 ASN B N 4062 C CA . ASN A 509 ? 0.8980 1.6019 0.7568 -0.0544 0.2157 0.0442 527 ASN B CA 4063 C C . ASN A 509 ? 0.8500 1.5262 0.7301 -0.0784 0.1982 0.0508 527 ASN B C 4064 O O . ASN A 509 ? 0.8753 1.5417 0.7521 -0.1083 0.1904 0.0647 527 ASN B O 4065 C CB . ASN A 509 ? 0.9360 1.7195 0.8130 -0.0581 0.2330 0.0601 527 ASN B CB 4066 C CG . ASN A 509 ? 0.9747 1.7985 0.8875 -0.0440 0.2371 0.0594 527 ASN B CG 4067 O OD1 . ASN A 509 ? 1.0058 1.8479 0.9180 -0.0109 0.2478 0.0470 527 ASN B OD1 4068 N ND2 . ASN A 509 ? 0.9595 1.7951 0.9019 -0.0684 0.2277 0.0726 527 ASN B ND2 4069 N N . ILE A 510 ? 0.7941 1.4558 0.6935 -0.0645 0.1916 0.0406 528 ILE B N 4070 C CA . ILE A 510 ? 0.7966 1.4321 0.7156 -0.0824 0.1757 0.0449 528 ILE B CA 4071 C C . ILE A 510 ? 0.7871 1.4626 0.7406 -0.0745 0.1788 0.0469 528 ILE B C 4072 O O . ILE A 510 ? 0.7665 1.4375 0.7258 -0.0474 0.1809 0.0326 528 ILE B O 4073 C CB . ILE A 510 ? 0.7774 1.3449 0.6834 -0.0744 0.1613 0.0302 528 ILE B CB 4074 C CG1 . ILE A 510 ? 0.8160 1.3439 0.6898 -0.0845 0.1560 0.0299 528 ILE B CG1 4075 C CG2 . ILE A 510 ? 0.6929 1.2389 0.6203 -0.0879 0.1470 0.0338 528 ILE B CG2 4076 C CD1 . ILE A 510 ? 0.8437 1.3352 0.6934 -0.0605 0.1552 0.0121 528 ILE B CD1 4077 N N . PRO A 511 ? 0.7807 1.4941 0.7566 -0.0978 0.1781 0.0645 529 PRO B N 4078 C CA . PRO A 511 ? 0.7377 1.4867 0.7474 -0.0923 0.1786 0.0671 529 PRO B CA 4079 C C . PRO A 511 ? 0.6911 1.3903 0.7084 -0.0888 0.1631 0.0571 529 PRO B C 4080 O O . PRO A 511 ? 0.6739 1.3319 0.6850 -0.1095 0.1491 0.0611 529 PRO B O 4081 C CB . PRO A 511 ? 0.7380 1.5289 0.7643 -0.1248 0.1774 0.0902 529 PRO B CB 4082 C CG . PRO A 511 ? 0.7780 1.5294 0.7785 -0.1505 0.1686 0.0973 529 PRO B CG 4083 C CD . PRO A 511 ? 0.8042 1.5279 0.7742 -0.1314 0.1753 0.0836 529 PRO B CD 4084 N N . VAL A 512 ? 0.6957 1.3980 0.7247 -0.0616 0.1658 0.0443 530 VAL B N 4085 C CA . VAL A 512 ? 0.7198 1.3790 0.7568 -0.0563 0.1523 0.0351 530 VAL B CA 4086 C C . VAL A 512 ? 0.7244 1.4075 0.7901 -0.0733 0.1456 0.0473 530 VAL B C 4087 O O . VAL A 512 ? 0.7369 1.4743 0.8254 -0.0679 0.1534 0.0534 530 VAL B O 4088 C CB . VAL A 512 ? 0.6837 1.3330 0.7192 -0.0216 0.1562 0.0172 530 VAL B CB 4089 C CG1 . VAL A 512 ? 0.6822 1.3925 0.7301 -0.0017 0.1720 0.0179 530 VAL B CG1 4090 C CG2 . VAL A 512 ? 0.6516 1.2703 0.7018 -0.0175 0.1437 0.0112 530 VAL B CG2 4091 N N . THR A 513 ? 0.6984 1.3411 0.7621 -0.0932 0.1306 0.0511 531 THR B N 4092 C CA . THR A 513 ? 0.7142 1.3698 0.7985 -0.1130 0.1214 0.0631 531 THR B CA 4093 C C . THR A 513 ? 0.6908 1.3104 0.7835 -0.1030 0.1105 0.0536 531 THR B C 4094 O O . THR A 513 ? 0.6973 1.2801 0.7796 -0.0838 0.1092 0.0391 531 THR B O 4095 C CB . THR A 513 ? 0.7416 1.3791 0.8130 -0.1460 0.1119 0.0771 531 THR B CB 4096 O OG1 . THR A 513 ? 0.8273 1.4023 0.8745 -0.1465 0.1030 0.0689 531 THR B OG1 4097 C CG2 . THR A 513 ? 0.6817 1.3592 0.7463 -0.1584 0.1225 0.0890 531 THR B CG2 4098 N N . GLN A 514 ? 0.6392 1.2701 0.7501 -0.1173 0.1019 0.0628 532 GLN B N 4099 C CA . GLN A 514 ? 0.6045 1.2041 0.7231 -0.1096 0.0915 0.0556 532 GLN B CA 4100 C C . GLN A 514 ? 0.6374 1.1731 0.7345 -0.1150 0.0805 0.0501 532 GLN B C 4101 O O . GLN A 514 ? 0.6392 1.1439 0.7375 -0.1016 0.0749 0.0405 532 GLN B O 4102 C CB . GLN A 514 ? 0.5896 1.2147 0.7291 -0.1261 0.0838 0.0678 532 GLN B CB 4103 C CG . GLN A 514 ? 0.5322 1.1306 0.6806 -0.1179 0.0735 0.0614 532 GLN B CG 4104 C CD . GLN A 514 ? 0.5470 1.1591 0.7089 -0.0876 0.0808 0.0492 532 GLN B CD 4105 O OE1 . GLN A 514 ? 0.6116 1.2715 0.7868 -0.0752 0.0922 0.0497 532 GLN B OE1 4106 N NE2 . GLN A 514 ? 0.5143 1.0846 0.6718 -0.0748 0.0741 0.0386 532 GLN B NE2 4107 N N . ASN A 515 ? 0.7086 1.2254 0.7860 -0.1338 0.0773 0.0568 533 ASN B N 4108 C CA . ASN A 515 ? 0.7555 1.2145 0.8117 -0.1366 0.0677 0.0519 533 ASN B CA 4109 C C . ASN A 515 ? 0.7068 1.1412 0.7545 -0.1132 0.0718 0.0371 533 ASN B C 4110 O O . ASN A 515 ? 0.6584 1.0486 0.6952 -0.1106 0.0637 0.0319 533 ASN B O 4111 C CB . ASN A 515 ? 0.8906 1.3370 0.9258 -0.1588 0.0646 0.0617 533 ASN B CB 4112 C CG . ASN A 515 ? 1.0233 1.4936 1.0640 -0.1850 0.0594 0.0781 533 ASN B CG 4113 O OD1 . ASN A 515 ? 1.0723 1.5791 1.1350 -0.1866 0.0606 0.0830 533 ASN B OD1 4114 N ND2 . ASN A 515 ? 1.0995 1.5485 1.1194 -0.2065 0.0526 0.0873 533 ASN B ND2 4115 N N . MET A 516 ? 0.6938 1.1556 0.7450 -0.0959 0.0836 0.0306 534 MET B N 4116 C CA . MET A 516 ? 0.6584 1.0953 0.6970 -0.0756 0.0863 0.0171 534 MET B CA 4117 C C . MET A 516 ? 0.6264 1.0560 0.6776 -0.0540 0.0849 0.0065 534 MET B C 4118 O O . MET A 516 ? 0.6172 1.0199 0.6576 -0.0384 0.0841 -0.0044 534 MET B O 4119 C CB . MET A 516 ? 0.6386 1.1024 0.6670 -0.0679 0.0990 0.0152 534 MET B CB 4120 C CG . MET A 516 ? 0.6603 1.1342 0.6759 -0.0901 0.1008 0.0270 534 MET B CG 4121 S SD . MET A 516 ? 0.6652 1.1738 0.6668 -0.0809 0.1170 0.0258 534 MET B SD 4122 C CE . MET A 516 ? 0.6926 1.1559 0.6730 -0.0564 0.1154 0.0073 534 MET B CE 4123 N N . VAL A 517 ? 0.6200 1.0712 0.6926 -0.0537 0.0833 0.0099 535 VAL B N 4124 C CA . VAL A 517 ? 0.5702 1.0124 0.6546 -0.0351 0.0805 0.0013 535 VAL B CA 4125 C C . VAL A 517 ? 0.5112 0.9043 0.5885 -0.0379 0.0690 -0.0015 535 VAL B C 4126 O O . VAL A 517 ? 0.5040 0.8811 0.5771 -0.0556 0.0620 0.0060 535 VAL B O 4127 C CB . VAL A 517 ? 0.5395 1.0193 0.6484 -0.0364 0.0809 0.0074 535 VAL B CB 4128 C CG1 . VAL A 517 ? 0.5713 1.0463 0.6914 -0.0145 0.0793 -0.0017 535 VAL B CG1 4129 C CG2 . VAL A 517 ? 0.5024 1.0367 0.6198 -0.0383 0.0921 0.0142 535 VAL B CG2 4130 N N . PRO A 518 ? 0.5194 0.8880 0.5940 -0.0202 0.0667 -0.0118 536 PRO B N 4131 C CA . PRO A 518 ? 0.6045 0.9797 0.6782 0.0026 0.0722 -0.0223 536 PRO B CA 4132 C C . PRO A 518 ? 0.6365 0.9903 0.6875 0.0090 0.0742 -0.0295 536 PRO B C 4133 O O . PRO A 518 ? 0.6325 0.9859 0.6766 0.0282 0.0778 -0.0390 536 PRO B O 4134 C CB . PRO A 518 ? 0.6017 0.9532 0.6834 0.0128 0.0642 -0.0271 536 PRO B CB 4135 C CG . PRO A 518 ? 0.5706 0.8876 0.6456 -0.0014 0.0554 -0.0227 536 PRO B CG 4136 C CD . PRO A 518 ? 0.5409 0.8708 0.6138 -0.0222 0.0564 -0.0126 536 PRO B CD 4137 N N . SER A 519 ? 0.6479 0.9814 0.6855 -0.0064 0.0707 -0.0251 537 SER B N 4138 C CA . SER A 519 ? 0.6757 0.9870 0.6908 -0.0030 0.0709 -0.0307 537 SER B CA 4139 C C . SER A 519 ? 0.6406 0.9481 0.6446 -0.0230 0.0703 -0.0221 537 SER B C 4140 O O . SER A 519 ? 0.6219 0.9295 0.6330 -0.0389 0.0662 -0.0131 537 SER B O 4141 C CB . SER A 519 ? 0.7257 0.9954 0.7343 0.0048 0.0611 -0.0374 537 SER B CB 4142 O OG . SER A 519 ? 0.7563 1.0047 0.7694 -0.0082 0.0525 -0.0308 537 SER B OG 4143 N N . SER A 520 ? 0.6426 0.9440 0.6263 -0.0216 0.0737 -0.0252 538 SER B N 4144 C CA . SER A 520 ? 0.6066 0.9015 0.5764 -0.0395 0.0726 -0.0175 538 SER B CA 4145 C C . SER A 520 ? 0.6389 0.9060 0.5851 -0.0343 0.0701 -0.0240 538 SER B C 4146 O O . SER A 520 ? 0.7040 0.9603 0.6434 -0.0175 0.0701 -0.0343 538 SER B O 4147 C CB . SER A 520 ? 0.6004 0.9358 0.5717 -0.0493 0.0826 -0.0094 538 SER B CB 4148 O OG . SER A 520 ? 0.5786 0.9361 0.5707 -0.0588 0.0819 -0.0013 538 SER B OG 4149 N N . ARG A 521 ? 0.6270 0.8797 0.5592 -0.0493 0.0666 -0.0178 539 ARG B N 4150 C CA . ARG A 521 ? 0.5990 0.8264 0.5076 -0.0471 0.0633 -0.0222 539 ARG B CA 4151 C C . ARG A 521 ? 0.6648 0.9051 0.5574 -0.0603 0.0688 -0.0152 539 ARG B C 4152 O O . ARG A 521 ? 0.7023 0.9510 0.5995 -0.0771 0.0680 -0.0045 539 ARG B O 4153 C CB . ARG A 521 ? 0.5275 0.7170 0.4343 -0.0514 0.0502 -0.0213 539 ARG B CB 4154 C CG . ARG A 521 ? 0.5153 0.6939 0.4399 -0.0421 0.0443 -0.0250 539 ARG B CG 4155 C CD . ARG A 521 ? 0.5409 0.6869 0.4635 -0.0453 0.0324 -0.0231 539 ARG B CD 4156 N NE . ARG A 521 ? 0.6271 0.7531 0.5401 -0.0346 0.0270 -0.0312 539 ARG B NE 4157 C CZ . ARG A 521 ? 0.6804 0.7995 0.6031 -0.0236 0.0235 -0.0366 539 ARG B CZ 4158 N NH1 . ARG A 521 ? 0.7101 0.8424 0.6533 -0.0209 0.0257 -0.0350 539 ARG B NH1 4159 N NH2 . ARG A 521 ? 0.7313 0.8285 0.6417 -0.0160 0.0167 -0.0432 539 ARG B NH2 4160 N N . LEU A 522 ? 0.6665 0.9067 0.5380 -0.0526 0.0737 -0.0209 540 LEU B N 4161 C CA . LEU A 522 ? 0.6652 0.9182 0.5185 -0.0639 0.0797 -0.0144 540 LEU B CA 4162 C C . LEU A 522 ? 0.7076 0.9247 0.5357 -0.0661 0.0716 -0.0170 540 LEU B C 4163 O O . LEU A 522 ? 0.7379 0.9341 0.5545 -0.0520 0.0679 -0.0275 540 LEU B O 4164 C CB . LEU A 522 ? 0.7351 1.0255 0.5833 -0.0525 0.0947 -0.0178 540 LEU B CB 4165 C CG . LEU A 522 ? 0.8170 1.1239 0.6445 -0.0628 0.1025 -0.0108 540 LEU B CG 4166 C CD1 . LEU A 522 ? 0.8126 1.1284 0.6472 -0.0886 0.0998 0.0050 540 LEU B CD1 4167 C CD2 . LEU A 522 ? 0.8620 1.2121 0.6880 -0.0489 0.1187 -0.0134 540 LEU B CD2 4168 N N . LEU A 523 ? 0.6997 0.9079 0.5180 -0.0841 0.0675 -0.0070 541 LEU B N 4169 C CA . LEU A 523 ? 0.6907 0.8679 0.4844 -0.0880 0.0596 -0.0076 541 LEU B CA 4170 C C . LEU A 523 ? 0.7125 0.9060 0.4855 -0.0984 0.0674 -0.0009 541 LEU B C 4171 O O . LEU A 523 ? 0.7056 0.9166 0.4837 -0.1144 0.0703 0.0106 541 LEU B O 4172 C CB . LEU A 523 ? 0.6903 0.8378 0.4891 -0.0984 0.0459 -0.0015 541 LEU B CB 4173 C CG . LEU A 523 ? 0.7254 0.8407 0.5024 -0.1025 0.0357 -0.0008 541 LEU B CG 4174 C CD1 . LEU A 523 ? 0.6899 0.7782 0.4788 -0.1003 0.0226 -0.0008 541 LEU B CD1 4175 C CD2 . LEU A 523 ? 0.7811 0.8957 0.5417 -0.1199 0.0354 0.0102 541 LEU B CD2 4176 N N . VAL A 524 ? 0.7690 0.9558 0.5170 -0.0898 0.0703 -0.0077 542 VAL B N 4177 C CA . VAL A 524 ? 0.7446 0.9452 0.4689 -0.0981 0.0780 -0.0019 542 VAL B CA 4178 C C . VAL A 524 ? 0.7597 0.9221 0.4570 -0.1018 0.0670 -0.0031 542 VAL B C 4179 O O . VAL A 524 ? 0.7760 0.9106 0.4666 -0.0901 0.0585 -0.0131 542 VAL B O 4180 C CB . VAL A 524 ? 0.7351 0.9672 0.4502 -0.0821 0.0936 -0.0088 542 VAL B CB 4181 C CG1 . VAL A 524 ? 0.7761 1.0280 0.4681 -0.0919 0.1030 -0.0007 542 VAL B CG1 4182 C CG2 . VAL A 524 ? 0.7015 0.9713 0.4458 -0.0757 0.1031 -0.0084 542 VAL B CG2 4183 N N . TYR A 525 ? 0.7640 0.9246 0.4457 -0.1191 0.0659 0.0079 543 TYR B N 4184 C CA . TYR A 525 ? 0.8031 0.9290 0.4588 -0.1235 0.0551 0.0080 543 TYR B CA 4185 C C . TYR A 525 ? 0.8819 1.0184 0.5125 -0.1371 0.0610 0.0177 543 TYR B C 4186 O O . TYR A 525 ? 0.8991 1.0646 0.5367 -0.1497 0.0694 0.0283 543 TYR B O 4187 C CB . TYR A 525 ? 0.7539 0.8488 0.4204 -0.1319 0.0390 0.0129 543 TYR B CB 4188 C CG . TYR A 525 ? 0.7807 0.8796 0.4541 -0.1506 0.0369 0.0269 543 TYR B CG 4189 C CD1 . TYR A 525 ? 0.8093 0.9265 0.5091 -0.1539 0.0401 0.0306 543 TYR B CD1 4190 C CD2 . TYR A 525 ? 0.7573 0.8378 0.4087 -0.1651 0.0299 0.0363 543 TYR B CD2 4191 C CE1 . TYR A 525 ? 0.7915 0.9069 0.4939 -0.1714 0.0360 0.0431 543 TYR B CE1 4192 C CE2 . TYR A 525 ? 0.7735 0.8517 0.4274 -0.1821 0.0259 0.0489 543 TYR B CE2 4193 C CZ . TYR A 525 ? 0.7847 0.8794 0.4633 -0.1854 0.0287 0.0521 543 TYR B CZ 4194 O OH . TYR A 525 ? 0.7814 0.8691 0.4588 -0.2027 0.0229 0.0644 543 TYR B OH 4195 N N . TYR A 526 ? 0.8678 0.9801 0.4684 -0.1356 0.0555 0.0146 544 TYR B N 4196 C CA . TYR A 526 ? 0.8411 0.9543 0.4142 -0.1497 0.0577 0.0244 544 TYR B CA 4197 C C . TYR A 526 ? 1.0263 1.0968 0.5835 -0.1571 0.0401 0.0271 544 TYR B C 4198 O O . TYR A 526 ? 1.0433 1.0871 0.6067 -0.1483 0.0281 0.0195 544 TYR B O 4199 C CB . TYR A 526 ? 0.8714 1.0026 0.4177 -0.1391 0.0709 0.0185 544 TYR B CB 4200 C CG . TYR A 526 ? 0.8898 0.9923 0.4152 -0.1208 0.0648 0.0033 544 TYR B CG 4201 C CD1 . TYR A 526 ? 0.9468 1.0159 0.4413 -0.1249 0.0537 0.0032 544 TYR B CD1 4202 C CD2 . TYR A 526 ? 0.8838 0.9910 0.4181 -0.0999 0.0690 -0.0105 544 TYR B CD2 4203 C CE1 . TYR A 526 ? 0.9375 0.9784 0.4108 -0.1099 0.0462 -0.0101 544 TYR B CE1 4204 C CE2 . TYR A 526 ? 1.0418 1.1187 0.5538 -0.0845 0.0614 -0.0240 544 TYR B CE2 4205 C CZ . TYR A 526 ? 1.0523 1.0961 0.5337 -0.0901 0.0498 -0.0237 544 TYR B CZ 4206 O OH . TYR A 526 ? 0.9580 0.9693 0.4154 -0.0763 0.0403 -0.0366 544 TYR B OH 4207 N N . ILE A 527 ? 1.0182 1.0837 0.5549 -0.1738 0.0381 0.0389 545 ILE B N 4208 C CA . ILE A 527 ? 0.9775 1.0046 0.4998 -0.1822 0.0211 0.0439 545 ILE B CA 4209 C C . ILE A 527 ? 1.0532 1.0668 0.5378 -0.1810 0.0200 0.0417 545 ILE B C 4210 O O . ILE A 527 ? 1.0670 1.0992 0.5306 -0.1883 0.0308 0.0475 545 ILE B O 4211 C CB . ILE A 527 ? 0.9714 0.9946 0.4961 -0.2023 0.0161 0.0595 545 ILE B CB 4212 C CG1 . ILE A 527 ? 0.9656 0.9984 0.5247 -0.2027 0.0159 0.0609 545 ILE B CG1 4213 C CG2 . ILE A 527 ? 0.9652 0.9483 0.4727 -0.2084 -0.0015 0.0644 545 ILE B CG2 4214 C CD1 . ILE A 527 ? 1.0033 1.0200 0.5622 -0.2197 0.0063 0.0742 545 ILE B CD1 4215 N N . VAL A 528 ? 1.0708 1.0529 0.5464 -0.1724 0.0066 0.0340 546 VAL B N 4216 C CA . VAL A 528 ? 1.0747 1.0352 0.5131 -0.1731 0.0006 0.0328 546 VAL B CA 4217 C C . VAL A 528 ? 1.1265 1.0607 0.5566 -0.1877 -0.0145 0.0447 546 VAL B C 4218 O O . VAL A 528 ? 1.0531 0.9696 0.5033 -0.1875 -0.0275 0.0463 546 VAL B O 4219 C CB . VAL A 528 ? 1.0305 0.9700 0.4618 -0.1567 -0.0075 0.0184 546 VAL B CB 4220 C CG1 . VAL A 528 ? 1.0072 0.9178 0.4007 -0.1594 -0.0186 0.0185 546 VAL B CG1 4221 C CG2 . VAL A 528 ? 0.9880 0.9500 0.4184 -0.1407 0.0076 0.0064 546 VAL B CG2 4222 N N . THR A 529 ? 1.2325 1.1647 0.6324 -0.1998 -0.0125 0.0536 547 THR B N 4223 C CA . THR A 529 ? 1.3038 1.2125 0.6930 -0.2148 -0.0255 0.0665 547 THR B CA 4224 C C . THR A 529 ? 1.4469 1.3318 0.7972 -0.2169 -0.0338 0.0671 547 THR B C 4225 O O . THR A 529 ? 1.4235 1.3081 0.7553 -0.2064 -0.0303 0.0569 547 THR B O 4226 C CB . THR A 529 ? 1.3084 1.2359 0.6987 -0.2322 -0.0170 0.0804 547 THR B CB 4227 O OG1 . THR A 529 ? 1.4368 1.3373 0.8056 -0.2469 -0.0298 0.0929 547 THR B OG1 4228 C CG2 . THR A 529 ? 1.2532 1.2160 0.6288 -0.2344 0.0026 0.0811 547 THR B CG2 4229 N N . GLY A 530 ? 1.6468 1.5092 0.9826 -0.2300 -0.0458 0.0791 548 GLY B N 4230 C CA . GLY A 530 ? 1.8616 1.6985 1.1607 -0.2334 -0.0561 0.0815 548 GLY B CA 4231 C C . GLY A 530 ? 2.0257 1.8290 1.3276 -0.2353 -0.0778 0.0869 548 GLY B C 4232 O O . GLY A 530 ? 2.0000 1.7965 1.3142 -0.2431 -0.0833 0.0967 548 GLY B O 4233 N N . GLU A 531 ? 2.1915 1.9731 1.4808 -0.2277 -0.0909 0.0810 549 GLU B N 4234 C CA . GLU A 531 ? 2.3120 2.0664 1.6077 -0.2268 -0.1117 0.0859 549 GLU B CA 4235 C C . GLU A 531 ? 2.2798 2.0386 1.6138 -0.2137 -0.1169 0.0780 549 GLU B C 4236 O O . GLU A 531 ? 2.2887 2.0692 1.6443 -0.2068 -0.1045 0.0698 549 GLU B O 4237 C CB . GLU A 531 ? 2.4128 2.1423 1.6729 -0.2285 -0.1249 0.0866 549 GLU B CB 4238 C CG . GLU A 531 ? 2.5230 2.2440 1.7450 -0.2429 -0.1229 0.0975 549 GLU B CG 4239 C CD . GLU A 531 ? 2.5704 2.2659 1.7873 -0.2507 -0.1398 0.1109 549 GLU B CD 4240 O OE1 . GLU A 531 ? 2.5935 2.2649 1.7939 -0.2492 -0.1568 0.1126 549 GLU B OE1 4241 O OE2 . GLU A 531 ? 2.6005 2.2984 1.8284 -0.2580 -0.1371 0.1197 549 GLU B OE2 4242 N N . GLN A 532 ? 2.1564 1.8961 1.4993 -0.2100 -0.1354 0.0814 550 GLN B N 4243 C CA . GLN A 532 ? 1.9569 1.7016 1.3377 -0.1993 -0.1420 0.0777 550 GLN B CA 4244 C C . GLN A 532 ? 1.8551 1.6151 1.2654 -0.1984 -0.1329 0.0808 550 GLN B C 4245 O O . GLN A 532 ? 1.8446 1.5943 1.2573 -0.2017 -0.1393 0.0906 550 GLN B O 4246 C CB . GLN A 532 ? 1.8205 1.5729 1.2077 -0.1905 -0.1394 0.0645 550 GLN B CB 4247 C CG . GLN A 532 ? 1.7169 1.4527 1.1057 -0.1863 -0.1593 0.0637 550 GLN B CG 4248 C CD . GLN A 532 ? 1.6564 1.3769 1.0092 -0.1871 -0.1640 0.0564 550 GLN B CD 4249 O OE1 . GLN A 532 ? 1.6503 1.3772 0.9845 -0.1853 -0.1502 0.0477 550 GLN B OE1 4250 N NE2 . GLN A 532 ? 1.6319 1.3325 0.9740 -0.1889 -0.1841 0.0603 550 GLN B NE2 4251 N N . THR A 533 ? 1.7539 1.5362 1.1849 -0.1932 -0.1191 0.0724 551 THR B N 4252 C CA . THR A 533 ? 1.6810 1.4777 1.1389 -0.1927 -0.1107 0.0748 551 THR B CA 4253 C C . THR A 533 ? 1.6112 1.4339 1.0766 -0.1913 -0.0921 0.0665 551 THR B C 4254 O O . THR A 533 ? 1.6948 1.5240 1.1582 -0.1841 -0.0883 0.0563 551 THR B O 4255 C CB . THR A 533 ? 1.6444 1.4409 1.1365 -0.1820 -0.1197 0.0747 551 THR B CB 4256 O OG1 . THR A 533 ? 1.6881 1.4640 1.1743 -0.1815 -0.1366 0.0833 551 THR B OG1 4257 C CG2 . THR A 533 ? 1.6080 1.4169 1.1242 -0.1809 -0.1112 0.0767 551 THR B CG2 4258 N N . ALA A 534 ? 1.4600 1.2962 0.9326 -0.1982 -0.0817 0.0714 552 ALA B N 4259 C CA . ALA A 534 ? 1.2739 1.1389 0.7566 -0.1971 -0.0640 0.0654 552 ALA B CA 4260 C C . ALA A 534 ? 1.1566 1.0324 0.6680 -0.1825 -0.0620 0.0543 552 ALA B C 4261 O O . ALA A 534 ? 1.1246 0.9909 0.6571 -0.1759 -0.0723 0.0542 552 ALA B O 4262 C CB . ALA A 534 ? 1.1850 1.0612 0.6767 -0.2074 -0.0571 0.0741 552 ALA B CB 4263 N N . GLU A 535 ? 1.0464 0.9426 0.5575 -0.1770 -0.0487 0.0453 553 GLU B N 4264 C CA . GLU A 535 ? 0.9660 0.8703 0.4990 -0.1632 -0.0467 0.0340 553 GLU B CA 4265 C C . GLU A 535 ? 0.9956 0.9305 0.5444 -0.1607 -0.0295 0.0306 553 GLU B C 4266 O O . GLU A 535 ? 1.0830 1.0356 0.6159 -0.1654 -0.0170 0.0320 553 GLU B O 4267 C CB . GLU A 535 ? 0.8917 0.7840 0.4031 -0.1551 -0.0506 0.0241 553 GLU B CB 4268 C CG . GLU A 535 ? 0.9148 0.8130 0.4429 -0.1413 -0.0482 0.0120 553 GLU B CG 4269 C CD . GLU A 535 ? 1.0219 0.9036 0.5222 -0.1337 -0.0530 0.0019 553 GLU B CD 4270 O OE1 . GLU A 535 ? 1.0299 0.8948 0.5000 -0.1393 -0.0596 0.0045 553 GLU B OE1 4271 O OE2 . GLU A 535 ? 1.0637 0.9468 0.5702 -0.1220 -0.0510 -0.0088 553 GLU B OE2 4272 N N . LEU A 536 ? 0.9256 0.8687 0.5059 -0.1533 -0.0289 0.0271 554 LEU B N 4273 C CA . LEU A 536 ? 0.8706 0.8426 0.4688 -0.1487 -0.0141 0.0229 554 LEU B CA 4274 C C . LEU A 536 ? 0.8624 0.8370 0.4621 -0.1332 -0.0113 0.0093 554 LEU B C 4275 O O . LEU A 536 ? 0.8498 0.8075 0.4598 -0.1260 -0.0223 0.0047 554 LEU B O 4276 C CB . LEU A 536 ? 0.8418 0.8196 0.4711 -0.1503 -0.0155 0.0275 554 LEU B CB 4277 C CG . LEU A 536 ? 0.8269 0.7939 0.4529 -0.1638 -0.0216 0.0402 554 LEU B CG 4278 C CD1 . LEU A 536 ? 0.7458 0.7164 0.3999 -0.1624 -0.0229 0.0428 554 LEU B CD1 4279 C CD2 . LEU A 536 ? 0.7943 0.7749 0.4008 -0.1773 -0.0126 0.0474 554 LEU B CD2 4280 N N . VAL A 537 ? 0.8677 0.8631 0.4560 -0.1278 0.0028 0.0037 555 VAL B N 4281 C CA . VAL A 537 ? 0.8713 0.8679 0.4562 -0.1110 0.0065 -0.0099 555 VAL B CA 4282 C C . VAL A 537 ? 0.8858 0.9132 0.4972 -0.1044 0.0194 -0.0123 555 VAL B C 4283 O O . VAL A 537 ? 0.9371 0.9946 0.5483 -0.1080 0.0336 -0.0082 555 VAL B O 4284 C CB . VAL A 537 ? 0.8608 0.8561 0.4081 -0.1060 0.0127 -0.0156 555 VAL B CB 4285 C CG1 . VAL A 537 ? 0.8744 0.8602 0.4123 -0.0870 0.0125 -0.0307 555 VAL B CG1 4286 C CG2 . VAL A 537 ? 0.8850 0.8527 0.4060 -0.1160 0.0002 -0.0103 555 VAL B CG2 4287 N N . SER A 538 ? 0.8441 0.8656 0.4789 -0.0956 0.0141 -0.0180 556 SER B N 4288 C CA . SER A 538 ? 0.8068 0.8541 0.4709 -0.0913 0.0231 -0.0184 556 SER B CA 4289 C C . SER A 538 ? 0.7782 0.8233 0.4479 -0.0732 0.0239 -0.0312 556 SER B C 4290 O O . SER A 538 ? 0.7624 0.7799 0.4187 -0.0662 0.0132 -0.0386 556 SER B O 4291 C CB . SER A 538 ? 0.8033 0.8459 0.4945 -0.1004 0.0153 -0.0098 556 SER B CB 4292 O OG . SER A 538 ? 0.7858 0.8004 0.4814 -0.0977 0.0003 -0.0115 556 SER B OG 4293 N N . ASP A 539 ? 0.7809 0.8545 0.4701 -0.0665 0.0355 -0.0331 557 ASP B N 4294 C CA . ASP A 539 ? 0.8196 0.8927 0.5187 -0.0493 0.0362 -0.0440 557 ASP B CA 4295 C C . ASP A 539 ? 0.7856 0.8883 0.5171 -0.0495 0.0443 -0.0401 557 ASP B C 4296 O O . ASP A 539 ? 0.8057 0.9334 0.5461 -0.0609 0.0521 -0.0306 557 ASP B O 4297 C CB . ASP A 539 ? 0.8746 0.9513 0.5467 -0.0328 0.0445 -0.0552 557 ASP B CB 4298 C CG . ASP A 539 ? 0.9590 1.0207 0.6327 -0.0143 0.0402 -0.0677 557 ASP B CG 4299 O OD1 . ASP A 539 ? 0.9892 1.0251 0.6743 -0.0166 0.0259 -0.0682 557 ASP B OD1 4300 O OD2 . ASP A 539 ? 1.0141 1.0903 0.6771 0.0027 0.0508 -0.0764 557 ASP B OD2 4301 N N . SER A 540 ? 0.7382 0.8362 0.4863 -0.0379 0.0412 -0.0468 558 SER B N 4302 C CA . SER A 540 ? 0.7425 0.8654 0.5212 -0.0374 0.0471 -0.0435 558 SER B CA 4303 C C . SER A 540 ? 0.7757 0.9026 0.5596 -0.0177 0.0502 -0.0546 558 SER B C 4304 O O . SER A 540 ? 0.8533 0.9530 0.6215 -0.0067 0.0426 -0.0640 558 SER B O 4305 C CB . SER A 540 ? 0.7192 0.8284 0.5198 -0.0479 0.0365 -0.0361 558 SER B CB 4306 O OG . SER A 540 ? 0.7499 0.8318 0.5531 -0.0406 0.0247 -0.0416 558 SER B OG 4307 N N . VAL A 541 ? 0.7239 0.8836 0.5289 -0.0139 0.0604 -0.0530 559 VAL B N 4308 C CA . VAL A 541 ? 0.7541 0.9215 0.5661 0.0057 0.0642 -0.0625 559 VAL B CA 4309 C C . VAL A 541 ? 0.7697 0.9559 0.6151 0.0025 0.0652 -0.0571 559 VAL B C 4310 O O . VAL A 541 ? 0.7510 0.9558 0.6113 -0.0130 0.0680 -0.0464 559 VAL B O 4311 C CB . VAL A 541 ? 0.7652 0.9616 0.5626 0.0203 0.0792 -0.0681 559 VAL B CB 4312 C CG1 . VAL A 541 ? 0.8284 1.0011 0.5880 0.0275 0.0775 -0.0759 559 VAL B CG1 4313 C CG2 . VAL A 541 ? 0.6523 0.8932 0.4623 0.0079 0.0920 -0.0566 559 VAL B CG2 4314 N N . TRP A 542 ? 0.7706 0.9491 0.6253 0.0171 0.0620 -0.0646 560 TRP B N 4315 C CA . TRP A 542 ? 0.7361 0.9300 0.6205 0.0168 0.0622 -0.0609 560 TRP B CA 4316 C C . TRP A 542 ? 0.7327 0.9632 0.6250 0.0317 0.0748 -0.0647 560 TRP B C 4317 O O . TRP A 542 ? 0.7473 0.9730 0.6249 0.0515 0.0772 -0.0754 560 TRP B O 4318 C CB . TRP A 542 ? 0.7407 0.9021 0.6314 0.0219 0.0493 -0.0649 560 TRP B CB 4319 C CG . TRP A 542 ? 0.8005 0.9741 0.7196 0.0212 0.0486 -0.0608 560 TRP B CG 4320 C CD1 . TRP A 542 ? 0.7608 0.9413 0.6982 0.0062 0.0468 -0.0507 560 TRP B CD1 4321 C CD2 . TRP A 542 ? 0.8521 1.0293 0.7816 0.0370 0.0487 -0.0670 560 TRP B CD2 4322 N NE1 . TRP A 542 ? 0.7483 0.9376 0.7069 0.0112 0.0462 -0.0502 560 TRP B NE1 4323 C CE2 . TRP A 542 ? 0.7982 0.9864 0.7534 0.0296 0.0473 -0.0598 560 TRP B CE2 4324 C CE3 . TRP A 542 ? 0.8834 1.0533 0.8007 0.0575 0.0493 -0.0783 560 TRP B CE3 4325 C CZ2 . TRP A 542 ? 0.8055 0.9994 0.7759 0.0410 0.0466 -0.0627 560 TRP B CZ2 4326 C CZ3 . TRP A 542 ? 0.8696 1.0441 0.8019 0.0694 0.0483 -0.0813 560 TRP B CZ3 4327 C CH2 . TRP A 542 ? 0.8490 1.0363 0.8084 0.0606 0.0471 -0.0733 560 TRP B CH2 4328 N N . LEU A 543 ? 0.7217 0.9876 0.6358 0.0225 0.0818 -0.0557 561 LEU B N 4329 C CA . LEU A 543 ? 0.7249 1.0341 0.6513 0.0339 0.0941 -0.0561 561 LEU B CA 4330 C C . LEU A 543 ? 0.7694 1.0836 0.7218 0.0385 0.0901 -0.0558 561 LEU B C 4331 O O . LEU A 543 ? 0.7425 1.0616 0.7134 0.0226 0.0863 -0.0466 561 LEU B O 4332 C CB . LEU A 543 ? 0.6725 1.0214 0.6049 0.0178 0.1039 -0.0441 561 LEU B CB 4333 C CG . LEU A 543 ? 0.6747 1.0162 0.5828 0.0066 0.1059 -0.0408 561 LEU B CG 4334 C CD1 . LEU A 543 ? 0.5668 0.9421 0.4840 -0.0147 0.1119 -0.0261 561 LEU B CD1 4335 C CD2 . LEU A 543 ? 0.7219 1.0681 0.6054 0.0260 0.1145 -0.0506 561 LEU B CD2 4336 N N . ASN A 544 ? 0.8228 1.1332 0.7739 0.0609 0.0904 -0.0661 562 ASN B N 4337 C CA . ASN A 544 ? 0.8355 1.1537 0.8097 0.0680 0.0876 -0.0662 562 ASN B CA 4338 C C . ASN A 544 ? 0.8423 1.2146 0.8342 0.0732 0.1001 -0.0618 562 ASN B C 4339 O O . ASN A 544 ? 0.8496 1.2444 0.8319 0.0906 0.1102 -0.0673 562 ASN B O 4340 C CB . ASN A 544 ? 0.9172 1.2036 0.8806 0.0892 0.0806 -0.0786 562 ASN B CB 4341 C CG . ASN A 544 ? 1.0049 1.2867 0.9901 0.0918 0.0737 -0.0774 562 ASN B CG 4342 O OD1 . ASN A 544 ? 1.0131 1.3246 1.0221 0.0837 0.0770 -0.0693 562 ASN B OD1 4343 N ND2 . ASN A 544 ? 1.0699 1.3134 1.0457 0.1022 0.0632 -0.0849 562 ASN B ND2 4344 N N . ILE A 545 ? 0.8449 1.2385 0.8619 0.0586 0.0990 -0.0515 563 ILE B N 4345 C CA . ILE A 545 ? 0.8405 1.2885 0.8774 0.0572 0.1090 -0.0436 563 ILE B CA 4346 C C . ILE A 545 ? 0.7919 1.2497 0.8525 0.0648 0.1049 -0.0435 563 ILE B C 4347 O O . ILE A 545 ? 0.7401 1.1651 0.8051 0.0606 0.0939 -0.0445 563 ILE B O 4348 C CB . ILE A 545 ? 0.8136 1.2793 0.8562 0.0289 0.1100 -0.0293 563 ILE B CB 4349 C CG1 . ILE A 545 ? 0.8682 1.3276 0.8860 0.0236 0.1150 -0.0294 563 ILE B CG1 4350 C CG2 . ILE A 545 ? 0.7624 1.2844 0.8286 0.0230 0.1175 -0.0186 563 ILE B CG2 4351 C CD1 . ILE A 545 ? 0.8876 1.3373 0.9017 -0.0042 0.1102 -0.0181 563 ILE B CD1 4352 N N . GLU A 546 ? 0.8061 1.3110 0.8817 0.0771 0.1141 -0.0420 564 GLU B N 4353 C CA . GLU A 546 ? 0.8226 1.3408 0.9203 0.0871 0.1108 -0.0422 564 GLU B CA 4354 C C . GLU A 546 ? 0.8260 1.3364 0.9407 0.0641 0.1009 -0.0323 564 GLU B C 4355 O O . GLU A 546 ? 0.7928 1.3138 0.9106 0.0404 0.1007 -0.0215 564 GLU B O 4356 C CB . GLU A 546 ? 0.8238 1.4035 0.9381 0.0996 0.1229 -0.0384 564 GLU B CB 4357 C CG . GLU A 546 ? 0.8251 1.4523 0.9548 0.0759 0.1289 -0.0224 564 GLU B CG 4358 C CD . GLU A 546 ? 0.8492 1.5422 1.0026 0.0865 0.1389 -0.0161 564 GLU B CD 4359 O OE1 . GLU A 546 ? 0.8627 1.6021 1.0236 0.0736 0.1478 -0.0043 564 GLU B OE1 4360 O OE2 . GLU A 546 ? 0.8653 1.5648 1.0301 0.1075 0.1375 -0.0220 564 GLU B OE2 4361 N N . GLU A 547 ? 0.8911 1.3797 1.0139 0.0717 0.0922 -0.0362 565 GLU B N 4362 C CA . GLU A 547 ? 0.9186 1.3949 1.0543 0.0538 0.0823 -0.0285 565 GLU B CA 4363 C C . GLU A 547 ? 0.8498 1.3746 1.0103 0.0485 0.0848 -0.0189 565 GLU B C 4364 O O . GLU A 547 ? 0.9390 1.4793 1.1137 0.0639 0.0841 -0.0214 565 GLU B O 4365 C CB . GLU A 547 ? 0.9980 1.4336 1.1314 0.0642 0.0725 -0.0356 565 GLU B CB 4366 C CG . GLU A 547 ? 1.1301 1.5224 1.2404 0.0723 0.0695 -0.0450 565 GLU B CG 4367 C CD . GLU A 547 ? 1.2438 1.6005 1.3529 0.0830 0.0598 -0.0508 565 GLU B CD 4368 O OE1 . GLU A 547 ? 1.2749 1.6290 1.3978 0.0766 0.0537 -0.0457 565 GLU B OE1 4369 O OE2 . GLU A 547 ? 1.3118 1.6420 1.4044 0.0975 0.0576 -0.0602 565 GLU B OE2 4370 N N . LYS A 548 ? 0.7630 1.3113 0.9283 0.0259 0.0864 -0.0072 566 LYS B N 4371 C CA . LYS A 548 ? 0.6780 1.2760 0.8664 0.0166 0.0880 0.0042 566 LYS B CA 4372 C C . LYS A 548 ? 0.6725 1.2552 0.8637 -0.0106 0.0769 0.0146 566 LYS B C 4373 O O . LYS A 548 ? 0.7363 1.2942 0.9115 -0.0281 0.0739 0.0180 566 LYS B O 4374 C CB . LYS A 548 ? 0.6384 1.2854 0.8293 0.0139 0.1006 0.0106 566 LYS B CB 4375 C CG . LYS A 548 ? 0.6239 1.3287 0.8405 0.0013 0.1021 0.0251 566 LYS B CG 4376 C CD . LYS A 548 ? 0.6366 1.3998 0.8620 0.0161 0.1175 0.0270 566 LYS B CD 4377 C CE . LYS A 548 ? 0.6394 1.4630 0.8876 -0.0047 0.1197 0.0455 566 LYS B CE 4378 N NZ . LYS A 548 ? 0.6121 1.4267 0.8485 -0.0368 0.1164 0.0569 566 LYS B NZ 4379 N N . CYS A 549 ? 0.6303 1.2251 0.8393 -0.0129 0.0699 0.0192 567 CYS B N 4380 C CA . CYS A 549 ? 0.6027 1.1809 0.8115 -0.0371 0.0581 0.0285 567 CYS B CA 4381 C C . CYS A 549 ? 0.5510 1.1600 0.7623 -0.0622 0.0589 0.0425 567 CYS B C 4382 O O . CYS A 549 ? 0.5626 1.2239 0.7886 -0.0612 0.0675 0.0486 567 CYS B O 4383 C CB . CYS A 549 ? 0.6461 1.2327 0.8725 -0.0332 0.0502 0.0304 567 CYS B CB 4384 S SG . CYS A 549 ? 0.6959 1.2393 0.9176 -0.0100 0.0454 0.0171 567 CYS B SG 4385 N N . GLY A 550 ? 0.5486 1.1250 0.7449 -0.0848 0.0493 0.0485 568 GLY B N 4386 C CA . GLY A 550 ? 0.5854 1.1852 0.7824 -0.1120 0.0463 0.0634 568 GLY B CA 4387 C C . GLY A 550 ? 0.6221 1.2588 0.8414 -0.1229 0.0396 0.0744 568 GLY B C 4388 O O . GLY A 550 ? 0.7012 1.3840 0.9327 -0.1385 0.0418 0.0874 568 GLY B O 4389 N N . ASN A 551 ? 0.5951 1.2132 0.8199 -0.1156 0.0308 0.0703 569 ASN B N 4390 C CA . ASN A 551 ? 0.5541 1.2043 0.8000 -0.1235 0.0229 0.0795 569 ASN B CA 4391 C C . ASN A 551 ? 0.5659 1.2243 0.8271 -0.0951 0.0265 0.0693 569 ASN B C 4392 O O . ASN A 551 ? 0.6078 1.2266 0.8616 -0.0873 0.0188 0.0622 569 ASN B O 4393 C CB . ASN A 551 ? 0.5341 1.1465 0.7661 -0.1459 0.0053 0.0859 569 ASN B CB 4394 C CG . ASN A 551 ? 0.5649 1.2124 0.8166 -0.1602 -0.0047 0.0983 569 ASN B CG 4395 O OD1 . ASN A 551 ? 0.6353 1.3393 0.9141 -0.1525 0.0020 0.1025 569 ASN B OD1 4396 N ND2 . ASN A 551 ? 0.5331 1.1476 0.7701 -0.1809 -0.0214 0.1044 569 ASN B ND2 4397 N N . GLN A 552 ? 0.5603 1.2701 0.8416 -0.0789 0.0381 0.0689 570 GLN B N 4398 C CA . GLN A 552 ? 0.5476 1.2613 0.8389 -0.0481 0.0429 0.0574 570 GLN B CA 4399 C C . GLN A 552 ? 0.5103 1.2323 0.8182 -0.0478 0.0319 0.0612 570 GLN B C 4400 O O . GLN A 552 ? 0.4965 1.2587 0.8223 -0.0639 0.0267 0.0745 570 GLN B O 4401 C CB . GLN A 552 ? 0.5989 1.3654 0.9041 -0.0294 0.0584 0.0562 570 GLN B CB 4402 C CG . GLN A 552 ? 0.6781 1.4314 0.9803 0.0050 0.0652 0.0405 570 GLN B CG 4403 C CD . GLN A 552 ? 0.7535 1.5462 1.0583 0.0238 0.0812 0.0372 570 GLN B CD 4404 O OE1 . GLN A 552 ? 0.7511 1.5787 1.0584 0.0102 0.0885 0.0466 570 GLN B OE1 4405 N NE2 . GLN A 552 ? 0.8227 1.6087 1.1247 0.0555 0.0865 0.0242 570 GLN B NE2 4406 N N . LEU A 553 ? 0.4955 1.1799 0.7971 -0.0304 0.0277 0.0504 571 LEU B N 4407 C CA . LEU A 553 ? 0.4514 1.1372 0.7654 -0.0273 0.0171 0.0523 571 LEU B CA 4408 C C . LEU A 553 ? 0.4337 1.1448 0.7638 0.0031 0.0235 0.0450 571 LEU B C 4409 O O . LEU A 553 ? 0.4457 1.1403 0.7662 0.0247 0.0320 0.0332 571 LEU B O 4410 C CB . LEU A 553 ? 0.4047 1.0280 0.6981 -0.0308 0.0065 0.0468 571 LEU B CB 4411 C CG . LEU A 553 ? 0.3965 1.0115 0.6974 -0.0240 -0.0041 0.0466 571 LEU B CG 4412 C CD1 . LEU A 553 ? 0.3462 0.9966 0.6635 -0.0428 -0.0140 0.0601 571 LEU B CD1 4413 C CD2 . LEU A 553 ? 0.4185 0.9721 0.6961 -0.0259 -0.0119 0.0410 571 LEU B CD2 4414 N N . GLN A 554 ? 0.3409 1.0897 0.6939 0.0047 0.0181 0.0521 572 GLN B N 4415 C CA . GLN A 554 ? 0.3641 1.1383 0.7328 0.0344 0.0226 0.0461 572 GLN B CA 4416 C C . GLN A 554 ? 0.3957 1.1760 0.7786 0.0327 0.0094 0.0514 572 GLN B C 4417 O O . GLN A 554 ? 0.4122 1.2208 0.8084 0.0107 0.0013 0.0648 572 GLN B O 4418 C CB . GLN A 554 ? 0.4096 1.2500 0.7979 0.0440 0.0356 0.0509 572 GLN B CB 4419 C CG . GLN A 554 ? 0.5360 1.3872 0.9269 0.0812 0.0454 0.0391 572 GLN B CG 4420 C CD . GLN A 554 ? 0.6512 1.5601 1.0532 0.0918 0.0610 0.0421 572 GLN B CD 4421 O OE1 . GLN A 554 ? 0.6963 1.6289 1.0997 0.0704 0.0658 0.0516 572 GLN B OE1 4422 N NE2 . GLN A 554 ? 0.6617 1.5929 1.0701 0.1257 0.0688 0.0342 572 GLN B NE2 4423 N N . VAL A 555 ? 0.4038 1.1560 0.7824 0.0547 0.0060 0.0416 573 VAL B N 4424 C CA . VAL A 555 ? 0.4150 1.1685 0.8044 0.0563 -0.0066 0.0454 573 VAL B CA 4425 C C . VAL A 555 ? 0.4297 1.2139 0.8360 0.0877 -0.0024 0.0407 573 VAL B C 4426 O O . VAL A 555 ? 0.4250 1.1950 0.8218 0.1119 0.0064 0.0291 573 VAL B O 4427 C CB . VAL A 555 ? 0.4028 1.0903 0.7693 0.0526 -0.0165 0.0395 573 VAL B CB 4428 C CG1 . VAL A 555 ? 0.4153 1.0754 0.7655 0.0228 -0.0225 0.0453 573 VAL B CG1 4429 C CG2 . VAL A 555 ? 0.3771 1.0232 0.7252 0.0736 -0.0096 0.0256 573 VAL B CG2 4430 N N . HIS A 556 ? 0.4844 1.3092 0.9144 0.0874 -0.0099 0.0498 574 HIS B N 4431 C CA . HIS A 556 ? 0.5473 1.4056 0.9951 0.1177 -0.0073 0.0468 574 HIS B CA 4432 C C . HIS A 556 ? 0.5636 1.4202 1.0215 0.1166 -0.0227 0.0519 574 HIS B C 4433 O O . HIS A 556 ? 0.5502 1.3992 1.0080 0.0900 -0.0345 0.0611 574 HIS B O 4434 C CB . HIS A 556 ? 0.6631 1.5982 1.1376 0.1233 0.0033 0.0551 574 HIS B CB 4435 C CG . HIS A 556 ? 0.8189 1.7601 1.2833 0.1246 0.0188 0.0511 574 HIS B CG 4436 N ND1 . HIS A 556 ? 0.8817 1.7898 1.3254 0.1496 0.0283 0.0357 574 HIS B ND1 4437 C CD2 . HIS A 556 ? 0.8742 1.8486 1.3443 0.1030 0.0256 0.0608 574 HIS B CD2 4438 C CE1 . HIS A 556 ? 0.9143 1.8358 1.3515 0.1444 0.0406 0.0356 574 HIS B CE1 4439 N NE2 . HIS A 556 ? 0.9120 1.8743 1.3653 0.1164 0.0397 0.0509 574 HIS B NE2 4440 N N . LEU A 557 ? 0.5451 1.4069 1.0096 0.1465 -0.0234 0.0458 575 LEU B N 4441 C CA . LEU A 557 ? 0.4719 1.3334 0.9459 0.1498 -0.0378 0.0500 575 LEU B CA 4442 C C . LEU A 557 ? 0.4911 1.4187 0.9952 0.1657 -0.0362 0.0571 575 LEU B C 4443 O O . LEU A 557 ? 0.5356 1.4696 1.0373 0.1930 -0.0254 0.0492 575 LEU B O 4444 C CB . LEU A 557 ? 0.4505 1.2522 0.9027 0.1701 -0.0424 0.0376 575 LEU B CB 4445 C CG . LEU A 557 ? 0.4588 1.1981 0.8867 0.1498 -0.0521 0.0365 575 LEU B CG 4446 C CD1 . LEU A 557 ? 0.3743 1.0645 0.7851 0.1704 -0.0572 0.0270 575 LEU B CD1 4447 C CD2 . LEU A 557 ? 0.3604 1.1142 0.7980 0.1246 -0.0656 0.0492 575 LEU B CD2 4448 N N . SER A 558 ? 0.4940 1.4485 1.0144 0.1452 -0.0470 0.0706 576 SER B N 4449 C CA . SER A 558 ? 0.5495 1.5445 1.0890 0.1552 -0.0473 0.0773 576 SER B CA 4450 C C . SER A 558 ? 0.5864 1.5677 1.1302 0.1597 -0.0641 0.0792 576 SER B C 4451 O O . SER A 558 ? 0.5878 1.5548 1.1297 0.1361 -0.0786 0.0858 576 SER B O 4452 C CB . SER A 558 ? 0.5918 1.6338 1.1476 0.1276 -0.0463 0.0929 576 SER B CB 4453 O OG . SER A 558 ? 0.6457 1.6792 1.2023 0.0944 -0.0623 0.1033 576 SER B OG 4454 N N . PRO A 559 ? 0.6216 1.6053 1.1688 0.1901 -0.0630 0.0735 577 PRO B N 4455 C CA . PRO A 559 ? 0.6228 1.6216 1.1688 0.2189 -0.0472 0.0657 577 PRO B CA 4456 C C . PRO A 559 ? 0.6233 1.5760 1.1444 0.2406 -0.0393 0.0494 577 PRO B C 4457 O O . PRO A 559 ? 0.6143 1.5216 1.1208 0.2411 -0.0478 0.0433 577 PRO B O 4458 C CB . PRO A 559 ? 0.6228 1.6363 1.1803 0.2403 -0.0536 0.0671 577 PRO B CB 4459 C CG . PRO A 559 ? 0.6187 1.5969 1.1712 0.2342 -0.0714 0.0674 577 PRO B CG 4460 C CD . PRO A 559 ? 0.6085 1.5811 1.1599 0.1978 -0.0786 0.0753 577 PRO B CD 4461 N N . ASP A 560 ? 0.6869 1.6510 1.2018 0.2582 -0.0236 0.0428 578 ASP B N 4462 C CA . ASP A 560 ? 0.7742 1.6945 1.2635 0.2798 -0.0165 0.0271 578 ASP B CA 4463 C C . ASP A 560 ? 0.8473 1.7430 1.3265 0.3138 -0.0205 0.0178 578 ASP B C 4464 O O . ASP A 560 ? 0.8698 1.7961 1.3580 0.3313 -0.0166 0.0196 578 ASP B O 4465 C CB . ASP A 560 ? 0.8203 1.7608 1.3038 0.2834 0.0009 0.0241 578 ASP B CB 4466 C CG . ASP A 560 ? 0.8751 1.7684 1.3316 0.2948 0.0067 0.0096 578 ASP B CG 4467 O OD1 . ASP A 560 ? 0.8797 1.7254 1.3194 0.3121 -0.0007 -0.0006 578 ASP B OD1 4468 O OD2 . ASP A 560 ? 0.9145 1.8173 1.3655 0.2857 0.0180 0.0089 578 ASP B OD2 4469 N N . ALA A 561 ? 0.8301 1.6702 1.2897 0.3228 -0.0289 0.0084 579 ALA B N 4470 C CA . ALA A 561 ? 0.8467 1.6548 1.2927 0.3529 -0.0350 -0.0002 579 ALA B CA 4471 C C . ALA A 561 ? 0.8407 1.5846 1.2570 0.3632 -0.0378 -0.0131 579 ALA B C 4472 O O . ALA A 561 ? 0.8292 1.5531 1.2403 0.3444 -0.0396 -0.0132 579 ALA B O 4473 C CB . ALA A 561 ? 0.8258 1.6372 1.2853 0.3496 -0.0504 0.0079 579 ALA B CB 4474 N N . ASP A 562 ? 0.8546 1.5657 1.2505 0.3931 -0.0389 -0.0237 580 ASP B N 4475 C CA . ASP A 562 ? 0.8684 1.5142 1.2339 0.4034 -0.0439 -0.0354 580 ASP B CA 4476 C C . ASP A 562 ? 0.8747 1.4846 1.2374 0.3922 -0.0597 -0.0321 580 ASP B C 4477 O O . ASP A 562 ? 0.9388 1.4974 1.2799 0.3847 -0.0633 -0.0372 580 ASP B O 4478 C CB . ASP A 562 ? 0.9339 1.5501 1.2756 0.4369 -0.0439 -0.0466 580 ASP B CB 4479 C CG . ASP A 562 ? 0.9835 1.6215 1.3179 0.4503 -0.0282 -0.0528 580 ASP B CG 4480 O OD1 . ASP A 562 ? 0.9790 1.6221 1.3111 0.4370 -0.0191 -0.0544 580 ASP B OD1 4481 O OD2 . ASP A 562 ? 1.0175 1.6674 1.3473 0.4745 -0.0251 -0.0560 580 ASP B OD2 4482 N N . ALA A 563 ? 0.8318 1.4620 1.2122 0.3868 -0.0690 -0.0226 581 ALA B N 4483 C CA . ALA A 563 ? 0.7601 1.3592 1.1370 0.3765 -0.0843 -0.0183 581 ALA B CA 4484 C C . ALA A 563 ? 0.7238 1.3671 1.1279 0.3595 -0.0905 -0.0049 581 ALA B C 4485 O O . ALA A 563 ? 0.7378 1.4260 1.1607 0.3642 -0.0865 0.0001 581 ALA B O 4486 C CB . ALA A 563 ? 0.7707 1.3170 1.1245 0.3995 -0.0953 -0.0249 581 ALA B CB 4487 N N . TYR A 564 ? 0.6880 1.3071 1.0876 0.3341 -0.0996 0.0013 582 TYR B N 4488 C CA . TYR A 564 ? 0.6224 1.2745 1.0426 0.3155 -0.1084 0.0138 582 TYR B CA 4489 C C . TYR A 564 ? 0.6650 1.2780 1.0730 0.3179 -0.1242 0.0160 582 TYR B C 4490 O O . TYR A 564 ? 0.7122 1.2691 1.0947 0.3275 -0.1277 0.0092 582 TYR B O 4491 C CB . TYR A 564 ? 0.5564 1.2109 0.9771 0.2788 -0.1049 0.0201 582 TYR B CB 4492 C CG . TYR A 564 ? 0.5418 1.2352 0.9740 0.2732 -0.0901 0.0196 582 TYR B CG 4493 C CD1 . TYR A 564 ? 0.5055 1.1682 0.9183 0.2737 -0.0790 0.0104 582 TYR B CD1 4494 C CD2 . TYR A 564 ? 0.5187 1.2809 0.9814 0.2665 -0.0877 0.0294 582 TYR B CD2 4495 C CE1 . TYR A 564 ? 0.4861 1.1835 0.9077 0.2687 -0.0655 0.0102 582 TYR B CE1 4496 C CE2 . TYR A 564 ? 0.4848 1.2839 0.9575 0.2606 -0.0739 0.0301 582 TYR B CE2 4497 C CZ . TYR A 564 ? 0.4978 1.2633 0.9491 0.2622 -0.0626 0.0201 582 TYR B CZ 4498 O OH . TYR A 564 ? 0.5163 1.3175 0.9758 0.2564 -0.0490 0.0211 582 TYR B OH 4499 N N . SER A 565 ? 0.6938 1.3373 1.1199 0.3080 -0.1346 0.0266 583 SER B N 4500 C CA . SER A 565 ? 0.7207 1.3326 1.1365 0.3081 -0.1502 0.0304 583 SER B CA 4501 C C . SER A 565 ? 0.6765 1.2619 1.0799 0.2745 -0.1557 0.0367 583 SER B C 4502 O O . SER A 565 ? 0.6637 1.2721 1.0756 0.2512 -0.1508 0.0413 583 SER B O 4503 C CB . SER A 565 ? 0.7727 1.4342 1.2149 0.3224 -0.1601 0.0378 583 SER B CB 4504 O OG . SER A 565 ? 0.8149 1.5327 1.2832 0.3027 -0.1572 0.0473 583 SER B OG 4505 N N . PRO A 566 ? 0.6569 1.1925 1.0382 0.2718 -0.1659 0.0374 584 PRO B N 4506 C CA . PRO A 566 ? 0.6019 1.1093 0.9673 0.2428 -0.1700 0.0425 584 PRO B CA 4507 C C . PRO A 566 ? 0.5398 1.0864 0.9226 0.2246 -0.1790 0.0530 584 PRO B C 4508 O O . PRO A 566 ? 0.4801 1.0627 0.8829 0.2351 -0.1881 0.0583 584 PRO B O 4509 C CB . PRO A 566 ? 0.6013 1.0549 0.9418 0.2496 -0.1796 0.0420 584 PRO B CB 4510 C CG . PRO A 566 ? 0.6390 1.0789 0.9760 0.2781 -0.1770 0.0341 584 PRO B CG 4511 C CD . PRO A 566 ? 0.6599 1.1581 1.0258 0.2953 -0.1733 0.0331 584 PRO B CD 4512 N N . GLY A 567 ? 0.5260 1.0644 0.9003 0.1971 -0.1773 0.0562 585 GLY B N 4513 C CA . GLY A 567 ? 0.4983 1.0661 0.8837 0.1758 -0.1873 0.0663 585 GLY B CA 4514 C C . GLY A 567 ? 0.4764 1.1108 0.8950 0.1727 -0.1839 0.0715 585 GLY B C 4515 O O . GLY A 567 ? 0.4498 1.1137 0.8808 0.1547 -0.1944 0.0816 585 GLY B O 4516 N N . GLN A 568 ? 0.5042 1.1632 0.9364 0.1892 -0.1700 0.0657 586 GLN B N 4517 C CA . GLN A 568 ? 0.5155 1.2436 0.9807 0.1894 -0.1652 0.0716 586 GLN B CA 4518 C C . GLN A 568 ? 0.5509 1.2920 1.0172 0.1578 -0.1620 0.0773 586 GLN B C 4519 O O . GLN A 568 ? 0.5742 1.2791 1.0196 0.1473 -0.1531 0.0713 586 GLN B O 4520 C CB . GLN A 568 ? 0.4871 1.2326 0.9609 0.2177 -0.1502 0.0627 586 GLN B CB 4521 C CG . GLN A 568 ? 0.4919 1.3127 0.9998 0.2219 -0.1427 0.0687 586 GLN B CG 4522 C CD . GLN A 568 ? 0.5367 1.3596 1.0435 0.2513 -0.1273 0.0580 586 GLN B CD 4523 O OE1 . GLN A 568 ? 0.5509 1.3314 1.0380 0.2727 -0.1260 0.0473 586 GLN B OE1 4524 N NE2 . GLN A 568 ? 0.5556 1.4245 1.0804 0.2517 -0.1160 0.0612 586 GLN B NE2 4525 N N . THR A 569 ? 0.5907 1.3833 1.0811 0.1420 -0.1703 0.0898 587 THR B N 4526 C CA . THR A 569 ? 0.6268 1.4369 1.1202 0.1116 -0.1685 0.0968 587 THR B CA 4527 C C . THR A 569 ? 0.6202 1.4698 1.1305 0.1198 -0.1503 0.0944 587 THR B C 4528 O O . THR A 569 ? 0.6345 1.5364 1.1715 0.1389 -0.1448 0.0965 587 THR B O 4529 C CB . THR A 569 ? 0.6592 1.5122 1.1729 0.0906 -0.1852 0.1124 587 THR B CB 4530 O OG1 . THR A 569 ? 0.7225 1.6287 1.2669 0.1102 -0.1852 0.1167 587 THR B OG1 4531 C CG2 . THR A 569 ? 0.6719 1.4769 1.1611 0.0775 -0.2036 0.1144 587 THR B CG2 4532 N N . VAL A 570 ? 0.6145 1.4358 1.1062 0.1061 -0.1403 0.0894 588 VAL B N 4533 C CA . VAL A 570 ? 0.5776 1.4257 1.0784 0.1138 -0.1223 0.0854 588 VAL B CA 4534 C C . VAL A 570 ? 0.5598 1.4082 1.0542 0.0813 -0.1204 0.0915 588 VAL B C 4535 O O . VAL A 570 ? 0.6147 1.4208 1.0869 0.0583 -0.1303 0.0933 588 VAL B O 4536 C CB . VAL A 570 ? 0.5590 1.3605 1.0381 0.1383 -0.1103 0.0695 588 VAL B CB 4537 C CG1 . VAL A 570 ? 0.5629 1.2957 1.0078 0.1223 -0.1117 0.0638 588 VAL B CG1 4538 C CG2 . VAL A 570 ? 0.5802 1.4130 1.0692 0.1524 -0.0926 0.0647 588 VAL B CG2 4539 N N . SER A 571 ? 0.5192 1.4153 1.0317 0.0800 -0.1081 0.0949 589 SER B N 4540 C CA . SER A 571 ? 0.5149 1.4157 1.0226 0.0498 -0.1058 0.1016 589 SER B CA 4541 C C . SER A 571 ? 0.4223 1.2992 0.9135 0.0573 -0.0883 0.0906 589 SER B C 4542 O O . SER A 571 ? 0.3837 1.2793 0.8830 0.0841 -0.0749 0.0831 589 SER B O 4543 C CB . SER A 571 ? 0.5935 1.5638 1.1310 0.0360 -0.1060 0.1167 589 SER B CB 4544 O OG . SER A 571 ? 0.6597 1.6402 1.2059 0.0229 -0.1234 0.1272 589 SER B OG 4545 N N . LEU A 572 ? 0.3977 1.2311 0.8639 0.0346 -0.0893 0.0894 590 LEU B N 4546 C CA . LEU A 572 ? 0.4280 1.2376 0.8775 0.0367 -0.0746 0.0806 590 LEU B CA 4547 C C . LEU A 572 ? 0.4606 1.3032 0.9174 0.0110 -0.0713 0.0911 590 LEU B C 4548 O O . LEU A 572 ? 0.4859 1.3218 0.9372 -0.0181 -0.0838 0.1010 590 LEU B O 4549 C CB . LEU A 572 ? 0.4273 1.1616 0.8418 0.0322 -0.0776 0.0714 590 LEU B CB 4550 C CG . LEU A 572 ? 0.4134 1.1171 0.8089 0.0354 -0.0640 0.0619 590 LEU B CG 4551 C CD1 . LEU A 572 ? 0.3471 1.0472 0.7438 0.0674 -0.0530 0.0501 590 LEU B CD1 4552 C CD2 . LEU A 572 ? 0.4556 1.0951 0.8197 0.0222 -0.0696 0.0580 590 LEU B CD2 4553 N N . ASN A 573 ? 0.4479 1.3238 0.9148 0.0216 -0.0552 0.0890 591 ASN B N 4554 C CA . ASN A 573 ? 0.4456 1.3587 0.9209 -0.0007 -0.0500 0.0996 591 ASN B CA 4555 C C . ASN A 573 ? 0.4199 1.2893 0.8680 -0.0055 -0.0402 0.0909 591 ASN B C 4556 O O . ASN A 573 ? 0.4119 1.2660 0.8517 0.0185 -0.0276 0.0783 591 ASN B O 4557 C CB . ASN A 573 ? 0.4879 1.4761 0.9943 0.0146 -0.0381 0.1054 591 ASN B CB 4558 C CG . ASN A 573 ? 0.5790 1.5946 1.1037 0.0202 -0.0467 0.1126 591 ASN B CG 4559 O OD1 . ASN A 573 ? 0.6085 1.6458 1.1421 -0.0047 -0.0564 0.1270 591 ASN B OD1 4560 N ND2 . ASN A 573 ? 0.6227 1.6352 1.1517 0.0527 -0.0441 0.1029 591 ASN B ND2 4561 N N . MET A 574 ? 0.4056 1.2534 0.8387 -0.0364 -0.0474 0.0979 592 MET B N 4562 C CA . MET A 574 ? 0.3471 1.1569 0.7552 -0.0444 -0.0398 0.0921 592 MET B CA 4563 C C . MET A 574 ? 0.4537 1.3089 0.8726 -0.0640 -0.0338 0.1039 592 MET B C 4564 O O . MET A 574 ? 0.4669 1.3545 0.8991 -0.0885 -0.0440 0.1193 592 MET B O 4565 C CB . MET A 574 ? 0.3547 1.0984 0.7325 -0.0624 -0.0525 0.0901 592 MET B CB 4566 C CG . MET A 574 ? 0.4163 1.1139 0.7811 -0.0436 -0.0570 0.0791 592 MET B CG 4567 S SD . MET A 574 ? 0.5009 1.1285 0.8309 -0.0629 -0.0721 0.0786 592 MET B SD 4568 C CE . MET A 574 ? 0.4954 1.1514 0.8363 -0.0906 -0.0910 0.0951 592 MET B CE 4569 N N . ALA A 575 ? 0.4471 1.3050 0.8599 -0.0539 -0.0179 0.0974 593 ALA B N 4570 C CA . ALA A 575 ? 0.4217 1.3218 0.8424 -0.0703 -0.0099 0.1080 593 ALA B CA 4571 C C . ALA A 575 ? 0.4204 1.2759 0.8125 -0.0752 -0.0027 0.1004 593 ALA B C 4572 O O . ALA A 575 ? 0.3472 1.1717 0.7259 -0.0520 0.0065 0.0854 593 ALA B O 4573 C CB . ALA A 575 ? 0.3449 1.3150 0.7936 -0.0483 0.0051 0.1099 593 ALA B CB 4574 N N . THR A 576 ? 0.4568 1.3081 0.8390 -0.1060 -0.0081 0.1112 594 THR B N 4575 C CA . THR A 576 ? 0.4686 1.2811 0.8242 -0.1136 -0.0025 0.1063 594 THR B CA 4576 C C . THR A 576 ? 0.4766 1.3356 0.8404 -0.1331 0.0039 0.1199 594 THR B C 4577 O O . THR A 576 ? 0.4872 1.3975 0.8728 -0.1504 -0.0011 0.1360 594 THR B O 4578 C CB . THR A 576 ? 0.4626 1.2072 0.7887 -0.1321 -0.0173 0.1048 594 THR B CB 4579 O OG1 . THR A 576 ? 0.5267 1.2816 0.8565 -0.1609 -0.0336 0.1199 594 THR B OG1 4580 C CG2 . THR A 576 ? 0.4291 1.1277 0.7451 -0.1116 -0.0213 0.0913 594 THR B CG2 4581 N N . GLY A 577 ? 0.4847 1.3264 0.8308 -0.1308 0.0149 0.1142 595 GLY B N 4582 C CA . GLY A 577 ? 0.4727 1.3535 0.8224 -0.1499 0.0214 0.1272 595 GLY B CA 4583 C C . GLY A 577 ? 0.5090 1.3762 0.8488 -0.1890 0.0050 0.1427 595 GLY B C 4584 O O . GLY A 577 ? 0.5194 1.4376 0.8752 -0.2107 0.0037 0.1603 595 GLY B O 4585 N N . MET A 578 ? 0.5570 1.3552 0.8692 -0.1981 -0.0082 0.1369 596 MET B N 4586 C CA . MET A 578 ? 0.5954 1.3682 0.8915 -0.2329 -0.0265 0.1496 596 MET B CA 4587 C C . MET A 578 ? 0.5038 1.2266 0.7872 -0.2319 -0.0428 0.1437 596 MET B C 4588 O O . MET A 578 ? 0.4202 1.1234 0.7044 -0.2052 -0.0386 0.1295 596 MET B O 4589 C CB . MET A 578 ? 0.6735 1.4058 0.9392 -0.2471 -0.0258 0.1494 596 MET B CB 4590 C CG . MET A 578 ? 0.7203 1.5012 0.9953 -0.2529 -0.0114 0.1577 596 MET B CG 4591 S SD . MET A 578 ? 0.7764 1.5053 1.0147 -0.2596 -0.0073 0.1526 596 MET B SD 4592 C CE . MET A 578 ? 0.7493 1.4339 0.9768 -0.2205 0.0031 0.1276 596 MET B CE 4593 N N . ASP A 579 ? 0.5118 1.2128 0.7813 -0.2615 -0.0622 0.1551 597 ASP B N 4594 C CA . ASP A 579 ? 0.5202 1.1693 0.7717 -0.2626 -0.0790 0.1503 597 ASP B CA 4595 C C . ASP A 579 ? 0.5166 1.1038 0.7425 -0.2399 -0.0737 0.1319 597 ASP B C 4596 O O . ASP A 579 ? 0.5517 1.1019 0.7526 -0.2442 -0.0714 0.1285 597 ASP B O 4597 C CB . ASP A 579 ? 0.5516 1.1723 0.7807 -0.2985 -0.1006 0.1638 597 ASP B CB 4598 C CG . ASP A 579 ? 0.6326 1.3121 0.8878 -0.3232 -0.1103 0.1835 597 ASP B CG 4599 O OD1 . ASP A 579 ? 0.6674 1.4169 0.9572 -0.3164 -0.0965 0.1894 597 ASP B OD1 4600 O OD2 . ASP A 579 ? 0.7067 1.3627 0.9472 -0.3490 -0.1323 0.1935 597 ASP B OD2 4601 N N . SER A 580 ? 0.4893 1.0669 0.7218 -0.2161 -0.0720 0.1211 598 SER B N 4602 C CA . SER A 580 ? 0.4507 0.9794 0.6646 -0.1929 -0.0653 0.1049 598 SER B CA 4603 C C . SER A 580 ? 0.4796 0.9781 0.6874 -0.1824 -0.0752 0.0992 598 SER B C 4604 O O . SER A 580 ? 0.5582 1.0867 0.7859 -0.1817 -0.0809 0.1037 598 SER B O 4605 C CB . SER A 580 ? 0.4187 0.9744 0.6501 -0.1665 -0.0456 0.0952 598 SER B CB 4606 O OG . SER A 580 ? 0.4226 0.9334 0.6388 -0.1451 -0.0413 0.0810 598 SER B OG 4607 N N . TRP A 581 ? 0.4600 0.9008 0.6401 -0.1737 -0.0769 0.0896 599 TRP B N 4608 C CA . TRP A 581 ? 0.4610 0.8741 0.6350 -0.1585 -0.0823 0.0825 599 TRP B CA 4609 C C . TRP A 581 ? 0.4818 0.9147 0.6765 -0.1304 -0.0682 0.0728 599 TRP B C 4610 O O . TRP A 581 ? 0.4838 0.9300 0.6855 -0.1199 -0.0543 0.0678 599 TRP B O 4611 C CB . TRP A 581 ? 0.4562 0.8044 0.5936 -0.1574 -0.0879 0.0766 599 TRP B CB 4612 C CG . TRP A 581 ? 0.5164 0.8356 0.6275 -0.1826 -0.1043 0.0849 599 TRP B CG 4613 C CD1 . TRP A 581 ? 0.5446 0.8454 0.6364 -0.1983 -0.1062 0.0887 599 TRP B CD1 4614 C CD2 . TRP A 581 ? 0.5491 0.8509 0.6475 -0.1954 -0.1228 0.0905 599 TRP B CD2 4615 N NE1 . TRP A 581 ? 0.6016 0.8725 0.6683 -0.2201 -0.1252 0.0963 599 TRP B NE1 4616 C CE2 . TRP A 581 ? 0.5763 0.8468 0.6460 -0.2189 -0.1358 0.0974 599 TRP B CE2 4617 C CE3 . TRP A 581 ? 0.5606 0.8677 0.6668 -0.1894 -0.1305 0.0904 599 TRP B CE3 4618 C CZ2 . TRP A 581 ? 0.5688 0.8114 0.6162 -0.2366 -0.1569 0.1038 599 TRP B CZ2 4619 C CZ3 . TRP A 581 ? 0.5345 0.8163 0.6200 -0.2070 -0.1508 0.0969 599 TRP B CZ3 4620 C CH2 . TRP A 581 ? 0.5675 0.8166 0.6232 -0.2304 -0.1641 0.1033 599 TRP B CH2 4621 N N . VAL A 582 ? 0.4502 0.8832 0.6528 -0.1185 -0.0729 0.0703 600 VAL B N 4622 C CA . VAL A 582 ? 0.4265 0.8751 0.6469 -0.0923 -0.0623 0.0618 600 VAL B CA 4623 C C . VAL A 582 ? 0.4248 0.8350 0.6319 -0.0803 -0.0685 0.0562 600 VAL B C 4624 O O . VAL A 582 ? 0.4659 0.8716 0.6703 -0.0874 -0.0811 0.0610 600 VAL B O 4625 C CB . VAL A 582 ? 0.4226 0.9308 0.6762 -0.0877 -0.0600 0.0668 600 VAL B CB 4626 C CG1 . VAL A 582 ? 0.4173 0.9307 0.6834 -0.0596 -0.0528 0.0576 600 VAL B CG1 4627 C CG2 . VAL A 582 ? 0.4249 0.9749 0.6923 -0.0948 -0.0502 0.0716 600 VAL B CG2 4628 N N . ALA A 583 ? 0.3793 0.7626 0.5776 -0.0629 -0.0600 0.0469 601 ALA B N 4629 C CA . ALA A 583 ? 0.3800 0.7316 0.5679 -0.0494 -0.0635 0.0421 601 ALA B CA 4630 C C . ALA A 583 ? 0.4211 0.7962 0.6309 -0.0290 -0.0579 0.0377 601 ALA B C 4631 O O . ALA A 583 ? 0.4168 0.8048 0.6361 -0.0173 -0.0470 0.0325 601 ALA B O 4632 C CB . ALA A 583 ? 0.3812 0.6896 0.5459 -0.0442 -0.0587 0.0366 601 ALA B CB 4633 N N . LEU A 584 ? 0.4529 0.8312 0.6682 -0.0245 -0.0663 0.0397 602 LEU B N 4634 C CA . LEU A 584 ? 0.3976 0.7974 0.6325 -0.0053 -0.0636 0.0364 602 LEU B CA 4635 C C . LEU A 584 ? 0.3826 0.7457 0.6047 0.0090 -0.0647 0.0314 602 LEU B C 4636 O O . LEU A 584 ? 0.3717 0.6995 0.5723 0.0034 -0.0698 0.0324 602 LEU B O 4637 C CB . LEU A 584 ? 0.3774 0.8131 0.6310 -0.0097 -0.0728 0.0435 602 LEU B CB 4638 C CG . LEU A 584 ? 0.4017 0.8858 0.6749 -0.0221 -0.0710 0.0503 602 LEU B CG 4639 C CD1 . LEU A 584 ? 0.3687 0.8880 0.6607 -0.0277 -0.0820 0.0589 602 LEU B CD1 4640 C CD2 . LEU A 584 ? 0.3524 0.8645 0.6413 -0.0061 -0.0565 0.0449 602 LEU B CD2 4641 N N . ALA A 585 ? 0.3996 0.7711 0.6336 0.0282 -0.0598 0.0264 603 ALA B N 4642 C CA . ALA A 585 ? 0.4260 0.7673 0.6507 0.0414 -0.0618 0.0233 603 ALA B CA 4643 C C . ALA A 585 ? 0.4835 0.8452 0.7257 0.0597 -0.0622 0.0207 603 ALA B C 4644 O O . ALA A 585 ? 0.5664 0.9588 0.8247 0.0671 -0.0564 0.0182 603 ALA B O 4645 C CB . ALA A 585 ? 0.3566 0.6663 0.5664 0.0454 -0.0542 0.0186 603 ALA B CB 4646 N N . ALA A 586 ? 0.4957 0.8397 0.7333 0.0678 -0.0692 0.0215 604 ALA B N 4647 C CA . ALA A 586 ? 0.4998 0.8550 0.7499 0.0867 -0.0713 0.0190 604 ALA B CA 4648 C C . ALA A 586 ? 0.5459 0.8615 0.7806 0.0958 -0.0730 0.0172 604 ALA B C 4649 O O . ALA A 586 ? 0.5167 0.8123 0.7398 0.0914 -0.0800 0.0214 604 ALA B O 4650 C CB . ALA A 586 ? 0.3735 0.7559 0.6374 0.0859 -0.0811 0.0246 604 ALA B CB 4651 N N . VAL A 587 ? 0.5390 0.8428 0.7721 0.1080 -0.0674 0.0115 605 VAL B N 4652 C CA . VAL A 587 ? 0.5353 0.8012 0.7532 0.1131 -0.0685 0.0111 605 VAL B CA 4653 C C . VAL A 587 ? 0.6141 0.8756 0.8361 0.1322 -0.0718 0.0072 605 VAL B C 4654 O O . VAL A 587 ? 0.6468 0.9278 0.8790 0.1434 -0.0684 0.0017 605 VAL B O 4655 C CB . VAL A 587 ? 0.5391 0.7864 0.7462 0.1064 -0.0605 0.0090 605 VAL B CB 4656 C CG1 . VAL A 587 ? 0.6249 0.8368 0.8173 0.1076 -0.0625 0.0117 605 VAL B CG1 4657 C CG2 . VAL A 587 ? 0.4861 0.7400 0.6893 0.0895 -0.0573 0.0117 605 VAL B CG2 4658 N N . ASP A 588 ? 0.6356 0.8704 0.8477 0.1368 -0.0785 0.0104 606 ASP B N 4659 C CA . ASP A 588 ? 0.6466 0.8673 0.8573 0.1540 -0.0831 0.0071 606 ASP B CA 4660 C C . ASP A 588 ? 0.5785 0.7828 0.7823 0.1576 -0.0776 0.0014 606 ASP B C 4661 O O . ASP A 588 ? 0.5356 0.7150 0.7274 0.1483 -0.0758 0.0041 606 ASP B O 4662 C CB . ASP A 588 ? 0.7053 0.8973 0.9041 0.1547 -0.0915 0.0133 606 ASP B CB 4663 C CG . ASP A 588 ? 0.7653 0.9343 0.9580 0.1703 -0.0978 0.0108 606 ASP B CG 4664 O OD1 . ASP A 588 ? 0.7614 0.9413 0.9609 0.1851 -0.0977 0.0037 606 ASP B OD1 4665 O OD2 . ASP A 588 ? 0.8115 0.9507 0.9912 0.1681 -0.1031 0.0165 606 ASP B OD2 4666 N N . SER A 589 ? 0.5908 0.8095 0.8012 0.1716 -0.0753 -0.0061 607 SER B N 4667 C CA . SER A 589 ? 0.6464 0.8499 0.8482 0.1751 -0.0705 -0.0124 607 SER B CA 4668 C C . SER A 589 ? 0.6671 0.8271 0.8519 0.1769 -0.0773 -0.0112 607 SER B C 4669 O O . SER A 589 ? 0.6899 0.8314 0.8649 0.1729 -0.0746 -0.0136 607 SER B O 4670 C CB . SER A 589 ? 0.6879 0.9127 0.8966 0.1940 -0.0678 -0.0210 607 SER B CB 4671 O OG . SER A 589 ? 0.7534 0.9757 0.9636 0.2121 -0.0762 -0.0222 607 SER B OG 4672 N N . ALA A 590 ? 0.6731 0.8163 0.8537 0.1817 -0.0867 -0.0065 608 ALA B N 4673 C CA . ALA A 590 ? 0.6634 0.7657 0.8277 0.1817 -0.0944 -0.0033 608 ALA B CA 4674 C C . ALA A 590 ? 0.6432 0.7303 0.8005 0.1627 -0.0908 0.0036 608 ALA B C 4675 O O . ALA A 590 ? 0.7057 0.7622 0.8506 0.1599 -0.0959 0.0066 608 ALA B O 4676 C CB . ALA A 590 ? 0.6737 0.7638 0.8351 0.1878 -0.1048 0.0024 608 ALA B CB 4677 N N . VAL A 591 ? 0.5879 0.6955 0.7520 0.1498 -0.0828 0.0068 609 VAL B N 4678 C CA . VAL A 591 ? 0.6453 0.7415 0.8029 0.1343 -0.0785 0.0132 609 VAL B CA 4679 C C . VAL A 591 ? 0.7066 0.7944 0.8602 0.1318 -0.0747 0.0085 609 VAL B C 4680 O O . VAL A 591 ? 0.7956 0.8686 0.9429 0.1211 -0.0738 0.0143 609 VAL B O 4681 C CB . VAL A 591 ? 0.6138 0.7307 0.7761 0.1232 -0.0716 0.0165 609 VAL B CB 4682 C CG1 . VAL A 591 ? 0.5989 0.7218 0.7626 0.1249 -0.0765 0.0210 609 VAL B CG1 4683 C CG2 . VAL A 591 ? 0.6149 0.7581 0.7867 0.1227 -0.0646 0.0091 609 VAL B CG2 4684 N N . TYR A 592 ? 0.6927 0.7909 0.8495 0.1418 -0.0726 -0.0014 610 TYR B N 4685 C CA . TYR A 592 ? 0.6977 0.7884 0.8489 0.1393 -0.0689 -0.0064 610 TYR B CA 4686 C C . TYR A 592 ? 0.8330 0.8906 0.9704 0.1471 -0.0779 -0.0092 610 TYR B C 4687 O O . TYR A 592 ? 0.9240 0.9674 1.0531 0.1422 -0.0775 -0.0112 610 TYR B O 4688 C CB . TYR A 592 ? 0.6010 0.7207 0.7602 0.1451 -0.0607 -0.0152 610 TYR B CB 4689 C CG . TYR A 592 ? 0.4831 0.6332 0.6541 0.1349 -0.0534 -0.0120 610 TYR B CG 4690 C CD1 . TYR A 592 ? 0.4277 0.5753 0.5963 0.1189 -0.0492 -0.0061 610 TYR B CD1 4691 C CD2 . TYR A 592 ? 0.4845 0.6651 0.6679 0.1414 -0.0517 -0.0143 610 TYR B CD2 4692 C CE1 . TYR A 592 ? 0.4144 0.5838 0.5894 0.1097 -0.0444 -0.0034 610 TYR B CE1 4693 C CE2 . TYR A 592 ? 0.4561 0.6612 0.6481 0.1300 -0.0473 -0.0106 610 TYR B CE2 4694 C CZ . TYR A 592 ? 0.4512 0.6480 0.6373 0.1142 -0.0441 -0.0055 610 TYR B CZ 4695 O OH . TYR A 592 ? 0.5180 0.7336 0.7086 0.1030 -0.0415 -0.0021 610 TYR B OH 4696 N N . GLY A 593 ? 0.8663 0.9088 0.9991 0.1588 -0.0872 -0.0093 611 GLY B N 4697 C CA . GLY A 593 ? 0.9008 0.9059 1.0167 0.1662 -0.0983 -0.0116 611 GLY B CA 4698 C C . GLY A 593 ? 0.9358 0.9361 1.0430 0.1793 -0.0974 -0.0241 611 GLY B C 4699 O O . GLY A 593 ? 0.9883 0.9762 1.0868 0.1984 -0.1038 -0.0316 611 GLY B O 4700 N N . LEU A 602 ? 1.3670 1.5713 1.5373 0.1033 -0.0199 -0.0232 620 LEU B N 4701 C CA . LEU A 602 ? 1.4174 1.5922 1.5758 0.0984 -0.0221 -0.0221 620 LEU B CA 4702 C C . LEU A 602 ? 1.4551 1.6334 1.6087 0.0875 -0.0160 -0.0223 620 LEU B C 4703 O O . LEU A 602 ? 1.4627 1.6246 1.6068 0.0876 -0.0165 -0.0252 620 LEU B O 4704 C CB . LEU A 602 ? 1.4261 1.5832 1.5831 0.0914 -0.0272 -0.0135 620 LEU B CB 4705 C CG . LEU A 602 ? 1.4647 1.6089 1.6222 0.1005 -0.0350 -0.0117 620 LEU B CG 4706 C CD1 . LEU A 602 ? 1.4564 1.5852 1.6109 0.0920 -0.0382 -0.0019 620 LEU B CD1 4707 C CD2 . LEU A 602 ? 1.4876 1.6118 1.6370 0.1117 -0.0404 -0.0176 620 LEU B CD2 4708 N N . GLU A 603 ? 1.4541 1.6517 1.6129 0.0775 -0.0114 -0.0189 621 GLU B N 4709 C CA . GLU A 603 ? 1.4094 1.6082 1.5625 0.0658 -0.0066 -0.0176 621 GLU B CA 4710 C C . GLU A 603 ? 1.4223 1.6432 1.5765 0.0675 -0.0002 -0.0230 621 GLU B C 4711 O O . GLU A 603 ? 1.3588 1.6048 1.5224 0.0738 0.0020 -0.0251 621 GLU B O 4712 C CB . GLU A 603 ? 1.3283 1.5306 1.4818 0.0535 -0.0065 -0.0105 621 GLU B CB 4713 C CG . GLU A 603 ? 1.2499 1.4294 1.3946 0.0470 -0.0082 -0.0051 621 GLU B CG 4714 C CD . GLU A 603 ? 1.1812 1.3611 1.3218 0.0376 -0.0081 0.0006 621 GLU B CD 4715 O OE1 . GLU A 603 ? 1.1448 1.3379 1.2898 0.0361 -0.0096 0.0014 621 GLU B OE1 4716 O OE2 . GLU A 603 ? 1.1549 1.3214 1.2868 0.0321 -0.0074 0.0043 621 GLU B OE2 4717 N N . ARG A 604 ? 1.5107 1.7241 1.6555 0.0618 0.0029 -0.0245 622 ARG B N 4718 C CA . ARG A 604 ? 1.5848 1.8181 1.7279 0.0613 0.0098 -0.0284 622 ARG B CA 4719 C C . ARG A 604 ? 1.6796 1.9109 1.8163 0.0453 0.0122 -0.0235 622 ARG B C 4720 O O . ARG A 604 ? 1.6724 1.8808 1.7998 0.0408 0.0099 -0.0223 622 ARG B O 4721 C CB . ARG A 604 ? 1.5622 1.7841 1.6951 0.0732 0.0104 -0.0366 622 ARG B CB 4722 C CG . ARG A 604 ? 1.5261 1.7706 1.6556 0.0754 0.0186 -0.0410 622 ARG B CG 4723 C CD . ARG A 604 ? 1.5236 1.7539 1.6396 0.0905 0.0183 -0.0504 622 ARG B CD 4724 N NE . ARG A 604 ? 1.5307 1.7853 1.6423 0.0954 0.0274 -0.0548 622 ARG B NE 4725 C CZ . ARG A 604 ? 1.5599 1.8069 1.6571 0.1109 0.0289 -0.0639 622 ARG B CZ 4726 N NH1 . ARG A 604 ? 1.5763 1.7892 1.6617 0.1217 0.0204 -0.0696 622 ARG B NH1 4727 N NH2 . ARG A 604 ? 1.5707 1.8434 1.6637 0.1155 0.0385 -0.0670 622 ARG B NH2 4728 N N . VAL A 605 ? 1.7837 2.0391 1.9254 0.0364 0.0158 -0.0201 623 VAL B N 4729 C CA . VAL A 605 ? 1.7757 2.0261 1.9098 0.0206 0.0162 -0.0146 623 VAL B CA 4730 C C . VAL A 605 ? 1.7591 2.0132 1.8838 0.0166 0.0215 -0.0169 623 VAL B C 4731 O O . VAL A 605 ? 1.7547 1.9921 1.8686 0.0073 0.0204 -0.0141 623 VAL B O 4732 C CB . VAL A 605 ? 1.7845 2.0539 1.9254 0.0103 0.0150 -0.0085 623 VAL B CB 4733 C CG1 . VAL A 605 ? 1.8151 2.0756 1.9444 -0.0060 0.0139 -0.0029 623 VAL B CG1 4734 C CG2 . VAL A 605 ? 1.7651 2.0268 1.9119 0.0139 0.0088 -0.0061 623 VAL B CG2 4735 N N . PHE A 606 ? 1.7582 2.0336 1.8855 0.0248 0.0273 -0.0219 624 PHE B N 4736 C CA . PHE A 606 ? 1.7441 2.0265 1.8614 0.0208 0.0331 -0.0236 624 PHE B CA 4737 C C . PHE A 606 ? 1.6887 1.9399 1.7910 0.0225 0.0306 -0.0272 624 PHE B C 4738 O O . PHE A 606 ? 1.6656 1.9132 1.7567 0.0140 0.0328 -0.0261 624 PHE B O 4739 C CB . PHE A 606 ? 1.7758 2.0885 1.8979 0.0329 0.0406 -0.0286 624 PHE B CB 4740 C CG . PHE A 606 ? 1.7948 2.1462 1.9333 0.0286 0.0438 -0.0230 624 PHE B CG 4741 C CD1 . PHE A 606 ? 1.7940 2.1720 1.9330 0.0153 0.0491 -0.0168 624 PHE B CD1 4742 C CD2 . PHE A 606 ? 1.8067 2.1684 1.9598 0.0368 0.0405 -0.0227 624 PHE B CD2 4743 C CE1 . PHE A 606 ? 1.8023 2.2182 1.9576 0.0091 0.0507 -0.0098 624 PHE B CE1 4744 C CE2 . PHE A 606 ? 1.8101 2.2092 1.9793 0.0318 0.0422 -0.0165 624 PHE B CE2 4745 C CZ . PHE A 606 ? 1.8127 2.2397 1.9836 0.0174 0.0471 -0.0097 624 PHE B CZ 4746 N N . GLN A 607 ? 1.6444 1.8731 1.7459 0.0321 0.0251 -0.0307 625 GLN B N 4747 C CA . GLN A 607 ? 1.5782 1.7783 1.6668 0.0321 0.0210 -0.0327 625 GLN B CA 4748 C C . GLN A 607 ? 1.4158 1.5989 1.5029 0.0201 0.0165 -0.0251 625 GLN B C 4749 O O . GLN A 607 ? 1.3893 1.5598 1.4659 0.0139 0.0154 -0.0239 625 GLN B O 4750 C CB . GLN A 607 ? 1.6719 1.8541 1.7590 0.0456 0.0154 -0.0383 625 GLN B CB 4751 C CG . GLN A 607 ? 1.7518 1.9325 1.8516 0.0496 0.0112 -0.0353 625 GLN B CG 4752 C CD . GLN A 607 ? 1.8215 1.9845 1.9179 0.0632 0.0052 -0.0407 625 GLN B CD 4753 O OE1 . GLN A 607 ? 1.8661 2.0208 1.9505 0.0722 0.0049 -0.0483 625 GLN B OE1 4754 N NE2 . GLN A 607 ? 1.8288 1.9835 1.9333 0.0649 -0.0003 -0.0369 625 GLN B NE2 4755 N N . PHE A 608 ? 1.3035 1.4862 1.3997 0.0180 0.0138 -0.0199 626 PHE B N 4756 C CA . PHE A 608 ? 1.1890 1.3578 1.2824 0.0093 0.0106 -0.0127 626 PHE B CA 4757 C C . PHE A 608 ? 1.0840 1.2592 1.1705 -0.0025 0.0132 -0.0090 626 PHE B C 4758 O O . PHE A 608 ? 1.0184 1.1793 1.0979 -0.0084 0.0107 -0.0040 626 PHE B O 4759 C CB . PHE A 608 ? 1.1686 1.3350 1.2706 0.0118 0.0074 -0.0087 626 PHE B CB 4760 C CG . PHE A 608 ? 1.1461 1.2947 1.2448 0.0093 0.0037 -0.0022 626 PHE B CG 4761 C CD1 . PHE A 608 ? 1.1236 1.2684 1.2158 0.0023 0.0037 0.0030 626 PHE B CD1 4762 C CD2 . PHE A 608 ? 1.1571 1.2927 1.2580 0.0142 -0.0002 -0.0007 626 PHE B CD2 4763 C CE1 . PHE A 608 ? 1.1253 1.2562 1.2139 0.0029 0.0014 0.0090 626 PHE B CE1 4764 C CE2 . PHE A 608 ? 1.1565 1.2815 1.2564 0.0124 -0.0026 0.0067 626 PHE B CE2 4765 C CZ . PHE A 608 ? 1.1426 1.2664 1.2365 0.0081 -0.0011 0.0112 626 PHE B CZ 4766 N N . LEU A 609 ? 1.0685 1.2652 1.1562 -0.0056 0.0180 -0.0108 627 LEU B N 4767 C CA . LEU A 609 ? 1.0619 1.2644 1.1422 -0.0190 0.0193 -0.0060 627 LEU B CA 4768 C C . LEU A 609 ? 1.1660 1.3609 1.2330 -0.0235 0.0211 -0.0068 627 LEU B C 4769 O O . LEU A 609 ? 1.1133 1.2981 1.1698 -0.0339 0.0191 -0.0019 627 LEU B O 4770 C CB . LEU A 609 ? 0.9841 1.2169 1.0729 -0.0225 0.0233 -0.0053 627 LEU B CB 4771 C CG . LEU A 609 ? 0.8956 1.1320 0.9843 -0.0353 0.0195 0.0020 627 LEU B CG 4772 C CD1 . LEU A 609 ? 0.8231 1.0369 0.9106 -0.0326 0.0131 0.0041 627 LEU B CD1 4773 C CD2 . LEU A 609 ? 0.8852 1.1554 0.9877 -0.0370 0.0221 0.0034 627 LEU B CD2 4774 N N . GLU A 610 ? 1.3089 1.5059 1.3739 -0.0155 0.0239 -0.0132 628 GLU B N 4775 C CA . GLU A 610 ? 1.3315 1.5202 1.3821 -0.0194 0.0250 -0.0144 628 GLU B CA 4776 C C . GLU A 610 ? 1.1601 1.3218 1.2046 -0.0180 0.0186 -0.0136 628 GLU B C 4777 O O . GLU A 610 ? 1.1847 1.3368 1.2197 -0.0157 0.0176 -0.0172 628 GLU B O 4778 C CB . GLU A 610 ? 1.4801 1.6834 1.5272 -0.0112 0.0309 -0.0216 628 GLU B CB 4779 C CG . GLU A 610 ? 1.5815 1.7855 1.6359 0.0045 0.0304 -0.0286 628 GLU B CG 4780 C CD . GLU A 610 ? 1.6733 1.8940 1.7219 0.0148 0.0373 -0.0360 628 GLU B CD 4781 O OE1 . GLU A 610 ? 1.7031 1.9383 1.7436 0.0087 0.0433 -0.0348 628 GLU B OE1 4782 O OE2 . GLU A 610 ? 1.7036 1.9223 1.7542 0.0297 0.0366 -0.0428 628 GLU B OE2 4783 N N . LYS A 611 ? 0.9734 1.1235 1.0230 -0.0191 0.0140 -0.0084 629 LYS B N 4784 C CA . LYS A 611 ? 0.8297 0.9599 0.8740 -0.0205 0.0087 -0.0045 629 LYS B CA 4785 C C . LYS A 611 ? 0.7122 0.8362 0.7443 -0.0302 0.0082 0.0005 629 LYS B C 4786 O O . LYS A 611 ? 0.6805 0.7906 0.7064 -0.0313 0.0042 0.0036 629 LYS B O 4787 C CB . LYS A 611 ? 0.8748 0.9978 0.9289 -0.0159 0.0049 -0.0001 629 LYS B CB 4788 C CG . LYS A 611 ? 0.9548 1.0741 1.0059 -0.0202 0.0043 0.0062 629 LYS B CG 4789 C CD . LYS A 611 ? 1.0168 1.1329 1.0769 -0.0138 0.0023 0.0096 629 LYS B CD 4790 C CE . LYS A 611 ? 1.0213 1.1273 1.0730 -0.0152 0.0007 0.0157 629 LYS B CE 4791 N NZ . LYS A 611 ? 1.0264 1.1328 1.0673 -0.0237 0.0013 0.0155 629 LYS B NZ 4792 N N . SER A 612 ? 0.6714 0.8053 0.6997 -0.0376 0.0111 0.0020 630 SER B N 4793 C CA . SER A 612 ? 0.7020 0.8272 0.7159 -0.0479 0.0095 0.0070 630 SER B CA 4794 C C . SER A 612 ? 0.6371 0.7644 0.6395 -0.0529 0.0118 0.0052 630 SER B C 4795 O O . SER A 612 ? 0.6912 0.8080 0.6796 -0.0612 0.0094 0.0095 630 SER B O 4796 C CB . SER A 612 ? 0.7070 0.8397 0.7194 -0.0563 0.0099 0.0106 630 SER B CB 4797 O OG . SER A 612 ? 0.6981 0.8561 0.7185 -0.0581 0.0154 0.0077 630 SER B OG 4798 N N . ASP A 613 ? 0.5668 0.7056 0.5724 -0.0473 0.0159 -0.0013 631 ASP B N 4799 C CA . ASP A 613 ? 0.5918 0.7299 0.5840 -0.0496 0.0178 -0.0040 631 ASP B CA 4800 C C . ASP A 613 ? 0.5597 0.6753 0.5451 -0.0478 0.0109 -0.0030 631 ASP B C 4801 O O . ASP A 613 ? 0.5268 0.6353 0.5191 -0.0397 0.0074 -0.0059 631 ASP B O 4802 C CB . ASP A 613 ? 0.6809 0.8349 0.6760 -0.0407 0.0236 -0.0119 631 ASP B CB 4803 C CG . ASP A 613 ? 0.7632 0.9114 0.7417 -0.0397 0.0246 -0.0163 631 ASP B CG 4804 O OD1 . ASP A 613 ? 0.7471 0.8913 0.7122 -0.0495 0.0244 -0.0122 631 ASP B OD1 4805 O OD2 . ASP A 613 ? 0.8048 0.9501 0.7813 -0.0288 0.0247 -0.0238 631 ASP B OD2 4806 N N . LEU A 614 ? 0.5060 0.6107 0.4780 -0.0559 0.0081 0.0018 632 LEU B N 4807 C CA . LEU A 614 ? 0.5101 0.5962 0.4765 -0.0550 0.0009 0.0044 632 LEU B CA 4808 C C . LEU A 614 ? 0.6048 0.6863 0.5612 -0.0533 -0.0004 -0.0008 632 LEU B C 4809 O O . LEU A 614 ? 0.6212 0.6885 0.5735 -0.0534 -0.0075 0.0015 632 LEU B O 4810 C CB . LEU A 614 ? 0.5467 0.6213 0.5008 -0.0629 -0.0025 0.0115 632 LEU B CB 4811 C CG . LEU A 614 ? 0.5558 0.6280 0.5135 -0.0642 -0.0031 0.0165 632 LEU B CG 4812 C CD1 . LEU A 614 ? 0.5652 0.6202 0.5061 -0.0704 -0.0081 0.0230 632 LEU B CD1 4813 C CD2 . LEU A 614 ? 0.4341 0.5047 0.4074 -0.0543 -0.0053 0.0174 632 LEU B CD2 4814 N N . GLY A 615 ? 0.6146 0.7082 0.5663 -0.0511 0.0060 -0.0076 633 GLY B N 4815 C CA . GLY A 615 ? 0.6105 0.6968 0.5492 -0.0473 0.0046 -0.0139 633 GLY B CA 4816 C C . GLY A 615 ? 0.6356 0.7144 0.5815 -0.0369 0.0003 -0.0197 633 GLY B C 4817 O O . GLY A 615 ? 0.6428 0.7270 0.6051 -0.0320 0.0007 -0.0195 633 GLY B O 4818 N N . CYS A 616 ? 0.6582 0.7220 0.5893 -0.0343 -0.0048 -0.0246 634 CYS B N 4819 C CA . CYS A 616 ? 0.6648 0.7147 0.5971 -0.0262 -0.0118 -0.0298 634 CYS B CA 4820 C C . CYS A 616 ? 0.6904 0.7312 0.5998 -0.0196 -0.0114 -0.0397 634 CYS B C 4821 O O . CYS A 616 ? 0.6984 0.7398 0.5902 -0.0233 -0.0084 -0.0408 634 CYS B O 4822 C CB . CYS A 616 ? 0.7169 0.7493 0.6544 -0.0313 -0.0243 -0.0229 634 CYS B CB 4823 S SG . CYS A 616 ? 0.7988 0.8406 0.7575 -0.0372 -0.0246 -0.0105 634 CYS B SG 4824 N N . GLY A 617 ? 0.6610 0.6915 0.5684 -0.0092 -0.0149 -0.0470 635 GLY B N 4825 C CA . GLY A 617 ? 0.6708 0.6859 0.5527 -0.0003 -0.0168 -0.0574 635 GLY B CA 4826 C C . GLY A 617 ? 0.6988 0.7360 0.5709 0.0080 -0.0024 -0.0640 635 GLY B C 4827 O O . GLY A 617 ? 0.6346 0.7004 0.5219 0.0057 0.0084 -0.0600 635 GLY B O 4828 N N . ALA A 618 ? 0.7595 0.7831 0.6045 0.0177 -0.0028 -0.0737 636 ALA B N 4829 C CA . ALA A 618 ? 0.7783 0.8246 0.6116 0.0283 0.0115 -0.0801 636 ALA B CA 4830 C C . ALA A 618 ? 0.8385 0.8961 0.6581 0.0186 0.0180 -0.0762 636 ALA B C 4831 O O . ALA A 618 ? 0.9381 1.0179 0.7471 0.0259 0.0306 -0.0798 636 ALA B O 4832 C CB . ALA A 618 ? 0.6699 0.6961 0.4775 0.0473 0.0089 -0.0936 636 ALA B CB 4833 N N . GLY A 619 ? 0.7587 0.8032 0.5780 0.0031 0.0100 -0.0682 637 GLY B N 4834 C CA . GLY A 619 ? 0.7333 0.7847 0.5386 -0.0072 0.0144 -0.0635 637 GLY B CA 4835 C C . GLY A 619 ? 0.7445 0.7638 0.5240 -0.0107 0.0025 -0.0656 637 GLY B C 4836 O O . GLY A 619 ? 0.7950 0.7862 0.5668 -0.0059 -0.0098 -0.0705 637 GLY B O 4837 N N . GLY A 620 ? 0.7279 0.7508 0.4932 -0.0204 0.0052 -0.0608 638 GLY B N 4838 C CA . GLY A 620 ? 0.7933 0.7876 0.5329 -0.0250 -0.0060 -0.0618 638 GLY B CA 4839 C C . GLY A 620 ? 0.8076 0.7884 0.5602 -0.0391 -0.0189 -0.0514 638 GLY B C 4840 O O . GLY A 620 ? 0.7966 0.7915 0.5743 -0.0461 -0.0170 -0.0427 638 GLY B O 4841 N N . GLY A 621 ? 0.8343 0.7870 0.5678 -0.0423 -0.0326 -0.0522 639 GLY B N 4842 C CA . GLY A 621 ? 0.6954 0.6368 0.4403 -0.0542 -0.0457 -0.0420 639 GLY B CA 4843 C C . GLY A 621 ? 0.7648 0.6791 0.4837 -0.0590 -0.0596 -0.0425 639 GLY B C 4844 O O . GLY A 621 ? 0.8273 0.7320 0.5153 -0.0547 -0.0572 -0.0502 639 GLY B O 4845 N N . LEU A 622 ? 0.7309 0.6338 0.4616 -0.0674 -0.0745 -0.0340 640 LEU B N 4846 C CA . LEU A 622 ? 0.7467 0.6249 0.4551 -0.0737 -0.0898 -0.0327 640 LEU B CA 4847 C C . LEU A 622 ? 0.8379 0.7183 0.5268 -0.0799 -0.0857 -0.0293 640 LEU B C 4848 O O . LEU A 622 ? 0.7912 0.6514 0.4502 -0.0817 -0.0936 -0.0327 640 LEU B O 4849 C CB . LEU A 622 ? 0.7333 0.6062 0.4639 -0.0819 -0.1059 -0.0218 640 LEU B CB 4850 C CG . LEU A 622 ? 0.8212 0.6886 0.5694 -0.0790 -0.1137 -0.0226 640 LEU B CG 4851 C CD1 . LEU A 622 ? 0.7882 0.6568 0.5592 -0.0886 -0.1286 -0.0090 640 LEU B CD1 4852 C CD2 . LEU A 622 ? 0.8954 0.7343 0.6146 -0.0735 -0.1218 -0.0346 640 LEU B CD2 4853 N N . ASN A 623 ? 0.8016 0.7037 0.5051 -0.0836 -0.0749 -0.0223 641 ASN B N 4854 C CA . ASN A 623 ? 0.8160 0.7206 0.5008 -0.0903 -0.0702 -0.0182 641 ASN B CA 4855 C C . ASN A 623 ? 0.8025 0.7328 0.5019 -0.0915 -0.0544 -0.0146 641 ASN B C 4856 O O . ASN A 623 ? 0.8047 0.7503 0.5251 -0.0857 -0.0466 -0.0171 641 ASN B O 4857 C CB . ASN A 623 ? 0.8194 0.7111 0.5037 -0.0996 -0.0851 -0.0079 641 ASN B CB 4858 C CG . ASN A 623 ? 0.7857 0.6874 0.5041 -0.1014 -0.0896 0.0021 641 ASN B CG 4859 O OD1 . ASN A 623 ? 0.7946 0.7136 0.5340 -0.0984 -0.0794 0.0032 641 ASN B OD1 4860 N ND2 . ASN A 623 ? 0.7212 0.6128 0.4444 -0.1059 -0.1050 0.0099 641 ASN B ND2 4861 N N . ASN A 624 ? 0.8152 0.7487 0.5024 -0.0999 -0.0510 -0.0080 642 ASN B N 4862 C CA . ASN A 624 ? 0.8069 0.7619 0.5043 -0.1038 -0.0381 -0.0033 642 ASN B CA 4863 C C . ASN A 624 ? 0.7443 0.7063 0.4734 -0.1035 -0.0399 0.0026 642 ASN B C 4864 O O . ASN A 624 ? 0.7482 0.7283 0.4941 -0.1006 -0.0300 0.0011 642 ASN B O 4865 C CB . ASN A 624 ? 0.7316 0.6830 0.4081 -0.1148 -0.0377 0.0045 642 ASN B CB 4866 C CG . ASN A 624 ? 0.7250 0.6934 0.4117 -0.1220 -0.0285 0.0118 642 ASN B CG 4867 O OD1 . ASN A 624 ? 0.7169 0.7064 0.4032 -0.1222 -0.0153 0.0095 642 ASN B OD1 4868 N ND2 . ASN A 624 ? 0.7084 0.6675 0.4035 -0.1277 -0.0362 0.0209 642 ASN B ND2 4869 N N . ALA A 625 ? 0.7533 0.7024 0.4905 -0.1058 -0.0524 0.0096 643 ALA B N 4870 C CA . ALA A 625 ? 0.6499 0.6052 0.4144 -0.1038 -0.0539 0.0156 643 ALA B CA 4871 C C . ALA A 625 ? 0.6928 0.6576 0.4792 -0.0953 -0.0511 0.0097 643 ALA B C 4872 O O . ALA A 625 ? 0.6094 0.5868 0.4151 -0.0929 -0.0449 0.0112 643 ALA B O 4873 C CB . ALA A 625 ? 0.6504 0.5929 0.4193 -0.1051 -0.0678 0.0242 643 ALA B CB 4874 N N . ASN A 626 ? 0.6706 0.6269 0.4519 -0.0910 -0.0565 0.0030 644 ASN B N 4875 C CA . ASN A 626 ? 0.6747 0.6365 0.4734 -0.0832 -0.0549 -0.0027 644 ASN B CA 4876 C C . ASN A 626 ? 0.6946 0.6725 0.4928 -0.0780 -0.0401 -0.0103 644 ASN B C 4877 O O . ASN A 626 ? 0.7037 0.6925 0.5221 -0.0724 -0.0357 -0.0121 644 ASN B O 4878 C CB . ASN A 626 ? 0.7252 0.6687 0.5139 -0.0809 -0.0666 -0.0078 644 ASN B CB 4879 C CG . ASN A 626 ? 0.7700 0.7147 0.5775 -0.0744 -0.0688 -0.0111 644 ASN B CG 4880 O OD1 . ASN A 626 ? 0.8276 0.7605 0.6227 -0.0690 -0.0713 -0.0202 644 ASN B OD1 4881 N ND2 . ASN A 626 ? 0.7686 0.7256 0.6039 -0.0742 -0.0681 -0.0039 644 ASN B ND2 4882 N N . VAL A 627 ? 0.6992 0.6812 0.4752 -0.0797 -0.0322 -0.0139 645 VAL B N 4883 C CA . VAL A 627 ? 0.6686 0.6723 0.4461 -0.0752 -0.0173 -0.0190 645 VAL B CA 4884 C C . VAL A 627 ? 0.6767 0.6980 0.4749 -0.0804 -0.0110 -0.0115 645 VAL B C 4885 O O . VAL A 627 ? 0.5988 0.6367 0.4143 -0.0751 -0.0038 -0.0141 645 VAL B O 4886 C CB . VAL A 627 ? 0.6668 0.6747 0.4160 -0.0769 -0.0097 -0.0221 645 VAL B CB 4887 C CG1 . VAL A 627 ? 0.6604 0.6983 0.4151 -0.0754 0.0063 -0.0228 645 VAL B CG1 4888 C CG2 . VAL A 627 ? 0.7636 0.7543 0.4903 -0.0677 -0.0142 -0.0324 645 VAL B CG2 4889 N N . PHE A 628 ? 0.6902 0.7059 0.4853 -0.0905 -0.0149 -0.0022 646 PHE B N 4890 C CA . PHE A 628 ? 0.6730 0.6989 0.4831 -0.0956 -0.0114 0.0048 646 PHE B CA 4891 C C . PHE A 628 ? 0.6218 0.6471 0.4573 -0.0889 -0.0154 0.0054 646 PHE B C 4892 O O . PHE A 628 ? 0.5563 0.5952 0.4071 -0.0877 -0.0095 0.0060 646 PHE B O 4893 C CB . PHE A 628 ? 0.6066 0.6199 0.4037 -0.1061 -0.0169 0.0142 646 PHE B CB 4894 C CG . PHE A 628 ? 0.6787 0.6996 0.4559 -0.1161 -0.0100 0.0169 646 PHE B CG 4895 C CD1 . PHE A 628 ? 0.7283 0.7469 0.4831 -0.1170 -0.0084 0.0134 646 PHE B CD1 4896 C CD2 . PHE A 628 ? 0.6999 0.7299 0.4793 -0.1254 -0.0057 0.0237 646 PHE B CD2 4897 C CE1 . PHE A 628 ? 0.7764 0.8049 0.5128 -0.1267 -0.0013 0.0172 646 PHE B CE1 4898 C CE2 . PHE A 628 ? 0.7476 0.7867 0.5094 -0.1368 0.0001 0.0283 646 PHE B CE2 4899 C CZ . PHE A 628 ? 0.7967 0.8368 0.5377 -0.1373 0.0030 0.0253 646 PHE B CZ 4900 N N . HIS A 629 ? 0.6106 0.6215 0.4506 -0.0850 -0.0257 0.0061 647 HIS B N 4901 C CA . HIS A 629 ? 0.5728 0.5847 0.4364 -0.0792 -0.0296 0.0084 647 HIS B CA 4902 C C . HIS A 629 ? 0.6108 0.6339 0.4875 -0.0715 -0.0238 0.0010 647 HIS B C 4903 O O . HIS A 629 ? 0.5694 0.6023 0.4640 -0.0685 -0.0202 0.0025 647 HIS B O 4904 C CB . HIS A 629 ? 0.5540 0.5521 0.4197 -0.0782 -0.0422 0.0122 647 HIS B CB 4905 C CG . HIS A 629 ? 0.6499 0.6519 0.5396 -0.0723 -0.0461 0.0150 647 HIS B CG 4906 N ND1 . HIS A 629 ? 0.5794 0.5880 0.4848 -0.0698 -0.0445 0.0216 647 HIS B ND1 4907 C CD2 . HIS A 629 ? 0.5335 0.5329 0.4325 -0.0686 -0.0519 0.0126 647 HIS B CD2 4908 C CE1 . HIS A 629 ? 0.5673 0.5803 0.4919 -0.0647 -0.0480 0.0236 647 HIS B CE1 4909 N NE2 . HIS A 629 ? 0.5636 0.5709 0.4853 -0.0649 -0.0529 0.0187 647 HIS B NE2 4910 N N . LEU A 630 ? 0.5850 0.6048 0.4510 -0.0672 -0.0236 -0.0073 648 LEU B N 4911 C CA . LEU A 630 ? 0.5486 0.5759 0.4242 -0.0581 -0.0192 -0.0149 648 LEU B CA 4912 C C . LEU A 630 ? 0.6347 0.6845 0.5154 -0.0566 -0.0062 -0.0171 648 LEU B C 4913 O O . LEU A 630 ? 0.6773 0.7367 0.5706 -0.0487 -0.0022 -0.0218 648 LEU B O 4914 C CB . LEU A 630 ? 0.5728 0.5867 0.4302 -0.0524 -0.0230 -0.0240 648 LEU B CB 4915 C CG . LEU A 630 ? 0.6294 0.6207 0.4836 -0.0545 -0.0381 -0.0217 648 LEU B CG 4916 C CD1 . LEU A 630 ? 0.6125 0.5858 0.4436 -0.0488 -0.0430 -0.0317 648 LEU B CD1 4917 C CD2 . LEU A 630 ? 0.5617 0.5541 0.4414 -0.0530 -0.0438 -0.0166 648 LEU B CD2 4918 N N . ALA A 631 ? 0.6124 0.6712 0.4839 -0.0649 -0.0004 -0.0130 649 ALA B N 4919 C CA . ALA A 631 ? 0.5888 0.6715 0.4673 -0.0668 0.0104 -0.0122 649 ALA B CA 4920 C C . ALA A 631 ? 0.6114 0.6969 0.5054 -0.0725 0.0091 -0.0043 649 ALA B C 4921 O O . ALA A 631 ? 0.6321 0.7360 0.5328 -0.0762 0.0159 -0.0023 649 ALA B O 4922 C CB . ALA A 631 ? 0.5631 0.6556 0.4220 -0.0744 0.0171 -0.0106 649 ALA B CB 4923 N N . GLY A 632 ? 0.5881 0.6563 0.4870 -0.0730 0.0001 0.0004 650 GLY B N 4924 C CA . GLY A 632 ? 0.5363 0.6034 0.4459 -0.0759 -0.0016 0.0072 650 GLY B CA 4925 C C . GLY A 632 ? 0.5864 0.6470 0.4815 -0.0871 -0.0029 0.0144 650 GLY B C 4926 O O . GLY A 632 ? 0.6154 0.6803 0.5136 -0.0920 -0.0011 0.0184 650 GLY B O 4927 N N . LEU A 633 ? 0.6375 0.6854 0.5150 -0.0917 -0.0072 0.0166 651 LEU B N 4928 C CA . LEU A 633 ? 0.5924 0.6316 0.4520 -0.1031 -0.0091 0.0235 651 LEU B CA 4929 C C . LEU A 633 ? 0.6181 0.6348 0.4679 -0.1024 -0.0191 0.0282 651 LEU B C 4930 O O . LEU A 633 ? 0.6739 0.6853 0.5237 -0.0972 -0.0234 0.0256 651 LEU B O 4931 C CB . LEU A 633 ? 0.5588 0.6094 0.4024 -0.1111 -0.0025 0.0222 651 LEU B CB 4932 C CG . LEU A 633 ? 0.5888 0.6662 0.4388 -0.1150 0.0080 0.0210 651 LEU B CG 4933 C CD1 . LEU A 633 ? 0.5725 0.6640 0.4073 -0.1184 0.0154 0.0189 651 LEU B CD1 4934 C CD2 . LEU A 633 ? 0.5896 0.6661 0.4380 -0.1270 0.0064 0.0296 651 LEU B CD2 4935 N N . THR A 634 ? 0.6022 0.6047 0.4426 -0.1073 -0.0239 0.0353 652 THR B N 4936 C CA . THR A 634 ? 0.6348 0.6165 0.4594 -0.1087 -0.0329 0.0409 652 THR B CA 4937 C C . THR A 634 ? 0.6566 0.6319 0.4571 -0.1226 -0.0325 0.0450 652 THR B C 4938 O O . THR A 634 ? 0.6413 0.6257 0.4391 -0.1316 -0.0271 0.0464 652 THR B O 4939 C CB . THR A 634 ? 0.6997 0.6663 0.5277 -0.1016 -0.0397 0.0463 652 THR B CB 4940 O OG1 . THR A 634 ? 0.8059 0.7728 0.6352 -0.1044 -0.0368 0.0474 652 THR B OG1 4941 C CG2 . THR A 634 ? 0.6762 0.6489 0.5255 -0.0884 -0.0418 0.0449 652 THR B CG2 4942 N N . PHE A 635 ? 0.6176 0.5784 0.4007 -0.1252 -0.0389 0.0480 653 PHE B N 4943 C CA . PHE A 635 ? 0.6425 0.5967 0.4008 -0.1389 -0.0389 0.0526 653 PHE B CA 4944 C C . PHE A 635 ? 0.7163 0.6435 0.4563 -0.1396 -0.0505 0.0593 653 PHE B C 4945 O O . PHE A 635 ? 0.6893 0.6089 0.4361 -0.1290 -0.0573 0.0592 653 PHE B O 4946 C CB . PHE A 635 ? 0.6483 0.6183 0.4001 -0.1423 -0.0317 0.0474 653 PHE B CB 4947 C CG . PHE A 635 ? 0.8112 0.7753 0.5628 -0.1339 -0.0367 0.0429 653 PHE B CG 4948 C CD1 . PHE A 635 ? 0.8247 0.7969 0.5973 -0.1223 -0.0362 0.0363 653 PHE B CD1 4949 C CD2 . PHE A 635 ? 0.7395 0.6888 0.4686 -0.1387 -0.0430 0.0459 653 PHE B CD2 4950 C CE1 . PHE A 635 ? 0.7812 0.7461 0.5523 -0.1168 -0.0429 0.0333 653 PHE B CE1 4951 C CE2 . PHE A 635 ? 0.6964 0.6392 0.4243 -0.1323 -0.0493 0.0423 653 PHE B CE2 4952 C CZ . PHE A 635 ? 0.7493 0.6997 0.4982 -0.1220 -0.0497 0.0362 653 PHE B CZ 4953 N N . LEU A 636 ? 0.7429 0.6564 0.4597 -0.1523 -0.0533 0.0661 654 LEU B N 4954 C CA . LEU A 636 ? 0.8133 0.6987 0.5071 -0.1546 -0.0646 0.0731 654 LEU B CA 4955 C C . LEU A 636 ? 0.9254 0.8109 0.5963 -0.1681 -0.0631 0.0758 654 LEU B C 4956 O O . LEU A 636 ? 0.9318 0.8283 0.5949 -0.1816 -0.0563 0.0781 654 LEU B O 4957 C CB . LEU A 636 ? 0.8704 0.7326 0.5519 -0.1580 -0.0714 0.0798 654 LEU B CB 4958 C CG . LEU A 636 ? 0.9052 0.7656 0.6051 -0.1441 -0.0724 0.0775 654 LEU B CG 4959 C CD1 . LEU A 636 ? 0.8862 0.7159 0.5661 -0.1459 -0.0814 0.0837 654 LEU B CD1 4960 C CD2 . LEU A 636 ? 0.9891 0.8513 0.7036 -0.1270 -0.0760 0.0753 654 LEU B CD2 4961 N N . THR A 637 ? 1.0073 0.8823 0.6673 -0.1649 -0.0696 0.0762 655 THR B N 4962 C CA . THR A 637 ? 0.9844 0.8598 0.6216 -0.1761 -0.0679 0.0779 655 THR B CA 4963 C C . THR A 637 ? 1.0074 0.8569 0.6248 -0.1749 -0.0809 0.0831 655 THR B C 4964 O O . THR A 637 ? 1.0523 0.8939 0.6806 -0.1622 -0.0890 0.0824 655 THR B O 4965 C CB . THR A 637 ? 0.9592 0.8584 0.6050 -0.1722 -0.0585 0.0687 655 THR B CB 4966 O OG1 . THR A 637 ? 1.0792 1.0006 0.7508 -0.1661 -0.0492 0.0624 655 THR B OG1 4967 C CG2 . THR A 637 ? 0.8972 0.8053 0.5205 -0.1848 -0.0513 0.0704 655 THR B CG2 4968 N N . ASN A 638 ? 0.9837 0.8221 0.5723 -0.1885 -0.0828 0.0893 656 ASN B N 4969 C CA . ASN A 638 ? 0.9544 0.7719 0.5222 -0.1883 -0.0940 0.0932 656 ASN B CA 4970 C C . ASN A 638 ? 0.8751 0.7048 0.4415 -0.1854 -0.0911 0.0864 656 ASN B C 4971 O O . ASN A 638 ? 0.8906 0.7049 0.4436 -0.1833 -0.1015 0.0886 656 ASN B O 4972 C CB . ASN A 638 ? 0.9717 0.7693 0.5063 -0.2046 -0.0985 0.1034 656 ASN B CB 4973 C CG . ASN A 638 ? 0.9642 0.7822 0.4899 -0.2206 -0.0856 0.1047 656 ASN B CG 4974 O OD1 . ASN A 638 ? 1.0041 0.8515 0.5471 -0.2178 -0.0729 0.0971 656 ASN B OD1 4975 N ND2 . ASN A 638 ? 0.9594 0.7624 0.4577 -0.2372 -0.0892 0.1151 656 ASN B ND2 4976 N N . ALA A 639 ? 0.8378 0.6931 0.4162 -0.1845 -0.0783 0.0783 657 ALA B N 4977 C CA . ALA A 639 ? 0.8709 0.7348 0.4475 -0.1790 -0.0761 0.0700 657 ALA B CA 4978 C C . ALA A 639 ? 0.9057 0.7678 0.5057 -0.1651 -0.0841 0.0653 657 ALA B C 4979 O O . ALA A 639 ? 0.8578 0.7162 0.4768 -0.1587 -0.0893 0.0685 657 ALA B O 4980 C CB . ALA A 639 ? 0.8226 0.7133 0.4030 -0.1802 -0.0600 0.0629 657 ALA B CB 4981 N N . ASN A 640 ? 0.9401 0.8044 0.5371 -0.1605 -0.0855 0.0581 658 ASN B N 4982 C CA . ASN A 640 ? 0.9058 0.7691 0.5237 -0.1501 -0.0944 0.0549 658 ASN B CA 4983 C C . ASN A 640 ? 0.8440 0.7245 0.4938 -0.1425 -0.0872 0.0510 658 ASN B C 4984 O O . ASN A 640 ? 0.7912 0.6874 0.4455 -0.1422 -0.0747 0.0444 658 ASN B O 4985 C CB . ASN A 640 ? 0.9085 0.7684 0.5131 -0.1485 -0.0974 0.0472 658 ASN B CB 4986 C CG . ASN A 640 ? 0.9289 0.7889 0.5556 -0.1403 -0.1069 0.0443 658 ASN B CG 4987 O OD1 . ASN A 640 ? 0.9429 0.7927 0.5726 -0.1396 -0.1213 0.0505 658 ASN B OD1 4988 N ND2 . ASN A 640 ? 0.8526 0.7251 0.4949 -0.1343 -0.0995 0.0359 658 ASN B ND2 4989 N N . ALA A 641 ? 0.8417 0.7207 0.5134 -0.1355 -0.0949 0.0555 659 ALA B N 4990 C CA . ALA A 641 ? 0.8584 0.7523 0.5595 -0.1279 -0.0890 0.0531 659 ALA B CA 4991 C C . ALA A 641 ? 0.8728 0.7708 0.5963 -0.1195 -0.0974 0.0528 659 ALA B C 4992 O O . ALA A 641 ? 0.8771 0.7844 0.6253 -0.1123 -0.0967 0.0549 659 ALA B O 4993 C CB . ALA A 641 ? 0.8601 0.7506 0.5666 -0.1271 -0.0881 0.0600 659 ALA B CB 4994 N N . ASP A 642 ? 0.8527 0.7437 0.5666 -0.1211 -0.1060 0.0507 660 ASP B N 4995 C CA . ASP A 642 ? 0.8303 0.7248 0.5639 -0.1163 -0.1162 0.0519 660 ASP B CA 4996 C C . ASP A 642 ? 0.8185 0.7263 0.5729 -0.1114 -0.1089 0.0450 660 ASP B C 4997 O O . ASP A 642 ? 0.8327 0.7394 0.5766 -0.1122 -0.1035 0.0354 660 ASP B O 4998 C CB . ASP A 642 ? 0.9051 0.7858 0.6194 -0.1212 -0.1281 0.0506 660 ASP B CB 4999 C CG . ASP A 642 ? 0.9008 0.7694 0.6002 -0.1248 -0.1391 0.0596 660 ASP B CG 5000 O OD1 . ASP A 642 ? 0.9410 0.8057 0.6305 -0.1260 -0.1346 0.0638 660 ASP B OD1 5001 O OD2 . ASP A 642 ? 0.8209 0.6826 0.5175 -0.1268 -0.1536 0.0630 660 ASP B OD2 5002 N N . ASP A 643 ? 0.8554 0.7754 0.6376 -0.1051 -0.1085 0.0497 661 ASP B N 5003 C CA . ASP A 643 ? 0.8355 0.7681 0.6394 -0.1002 -0.1025 0.0449 661 ASP B CA 5004 C C . ASP A 643 ? 0.8543 0.7920 0.6793 -0.0980 -0.1143 0.0508 661 ASP B C 5005 O O . ASP A 643 ? 0.8643 0.7987 0.6892 -0.0999 -0.1265 0.0590 661 ASP B O 5006 C CB . ASP A 643 ? 0.7741 0.7177 0.5919 -0.0954 -0.0915 0.0462 661 ASP B CB 5007 C CG . ASP A 643 ? 0.7494 0.7042 0.5812 -0.0918 -0.0821 0.0386 661 ASP B CG 5008 O OD1 . ASP A 643 ? 0.7591 0.7132 0.5939 -0.0913 -0.0854 0.0335 661 ASP B OD1 5009 O OD2 . ASP A 643 ? 0.7304 0.6931 0.5689 -0.0896 -0.0724 0.0379 661 ASP B OD2 5010 N N . SER A 644 ? 0.8620 0.8089 0.7058 -0.0946 -0.1112 0.0475 662 SER B N 5011 C CA . SER A 644 ? 0.9216 0.8760 0.7875 -0.0941 -0.1219 0.0545 662 SER B CA 5012 C C . SER A 644 ? 0.9484 0.9193 0.8371 -0.0880 -0.1221 0.0665 662 SER B C 5013 O O . SER A 644 ? 0.8836 0.8548 0.7673 -0.0837 -0.1157 0.0685 662 SER B O 5014 C CB . SER A 644 ? 0.8834 0.8405 0.7599 -0.0925 -0.1186 0.0477 662 SER B CB 5015 O OG . SER A 644 ? 0.8390 0.8086 0.7289 -0.0859 -0.1050 0.0456 662 SER B OG 5016 N N . GLN A 645 ? 1.0574 1.0417 0.9700 -0.0872 -0.1299 0.0751 663 GLN B N 5017 C CA . GLN A 645 ? 1.1281 1.1314 1.0627 -0.0797 -0.1310 0.0878 663 GLN B CA 5018 C C . GLN A 645 ? 1.1238 1.1407 1.0762 -0.0711 -0.1189 0.0871 663 GLN B C 5019 O O . GLN A 645 ? 1.1878 1.2057 1.1468 -0.0729 -0.1150 0.0812 663 GLN B O 5020 C CB . GLN A 645 ? 1.1885 1.2047 1.1416 -0.0840 -0.1458 0.0997 663 GLN B CB 5021 C CG . GLN A 645 ? 1.2429 1.2721 1.2045 -0.0789 -0.1525 0.1131 663 GLN B CG 5022 C CD . GLN A 645 ? 1.2903 1.3391 1.2752 -0.0840 -0.1667 0.1269 663 GLN B CD 5023 O OE1 . GLN A 645 ? 1.2992 1.3376 1.2765 -0.0962 -0.1800 0.1269 663 GLN B OE1 5024 N NE2 . GLN A 645 ? 1.2959 1.3735 1.3085 -0.0749 -0.1643 0.1393 663 GLN B NE2 5025 N N . GLU A 646 ? 1.1065 1.1314 1.0642 -0.0610 -0.1137 0.0930 664 GLU B N 5026 C CA . GLU A 646 ? 1.0762 1.1134 1.0491 -0.0513 -0.1032 0.0938 664 GLU B CA 5027 C C . GLU A 646 ? 1.0455 1.0731 1.0093 -0.0537 -0.0926 0.0811 664 GLU B C 5028 O O . GLU A 646 ? 1.0523 1.0895 1.0306 -0.0497 -0.0861 0.0798 664 GLU B O 5029 C CB . GLU A 646 ? 1.1199 1.1805 1.1220 -0.0492 -0.1068 0.1034 664 GLU B CB 5030 C CG . GLU A 646 ? 1.2172 1.2941 1.2329 -0.0484 -0.1182 0.1179 664 GLU B CG 5031 C CD . GLU A 646 ? 1.3027 1.3900 1.3215 -0.0333 -0.1149 0.1262 664 GLU B CD 5032 O OE1 . GLU A 646 ? 1.3706 1.4573 1.3879 -0.0227 -0.1040 0.1231 664 GLU B OE1 5033 O OE2 . GLU A 646 ? 1.2921 1.3868 1.3132 -0.0314 -0.1240 0.1358 664 GLU B OE2 5034 N N . ASN A 647 ? 1.0222 1.0325 0.9622 -0.0602 -0.0906 0.0723 665 ASN B N 5035 C CA . ASN A 647 ? 0.9814 0.9864 0.9132 -0.0631 -0.0809 0.0610 665 ASN B CA 5036 C C . ASN A 647 ? 0.9612 0.9638 0.8868 -0.0585 -0.0719 0.0600 665 ASN B C 5037 O O . ASN A 647 ? 1.0460 1.0369 0.9511 -0.0631 -0.0692 0.0567 665 ASN B O 5038 C CB . ASN A 647 ? 0.9701 0.9616 0.8797 -0.0719 -0.0826 0.0530 665 ASN B CB 5039 C CG . ASN A 647 ? 0.9485 0.9403 0.8542 -0.0731 -0.0736 0.0419 665 ASN B CG 5040 O OD1 . ASN A 647 ? 0.9301 0.9239 0.8440 -0.0727 -0.0754 0.0381 665 ASN B OD1 5041 N ND2 . ASN A 647 ? 0.9856 0.9755 0.8782 -0.0748 -0.0645 0.0375 665 ASN B ND2 5042 N N . ASP A 648 ? 0.9261 0.9392 0.8684 -0.0500 -0.0680 0.0637 666 ASP B N 5043 C CA . ASP A 648 ? 0.8739 0.8823 0.8099 -0.0447 -0.0612 0.0632 666 ASP B CA 5044 C C . ASP A 648 ? 0.7088 0.7251 0.6558 -0.0428 -0.0529 0.0579 666 ASP B C 5045 O O . ASP A 648 ? 0.6447 0.6547 0.5812 -0.0449 -0.0471 0.0534 666 ASP B O 5046 C CB . ASP A 648 ? 0.9555 0.9658 0.8960 -0.0331 -0.0645 0.0728 666 ASP B CB 5047 C CG . ASP A 648 ? 1.0936 1.0849 1.0115 -0.0305 -0.0641 0.0731 666 ASP B CG 5048 O OD1 . ASP A 648 ? 1.1862 1.1666 1.0894 -0.0384 -0.0598 0.0667 666 ASP B OD1 5049 O OD2 . ASP A 648 ? 1.1401 1.1275 1.0543 -0.0205 -0.0686 0.0804 666 ASP B OD2 5050 N N . GLU A 649 ? 0.6521 0.6819 0.6196 -0.0397 -0.0530 0.0591 667 GLU B N 5051 C CA . GLU A 649 ? 0.6786 0.7153 0.6560 -0.0380 -0.0460 0.0538 667 GLU B CA 5052 C C . GLU A 649 ? 0.6559 0.6897 0.6259 -0.0459 -0.0431 0.0439 667 GLU B C 5053 O O . GLU A 649 ? 0.7139 0.7420 0.6746 -0.0517 -0.0476 0.0416 667 GLU B O 5054 C CB . GLU A 649 ? 0.7294 0.7804 0.7297 -0.0329 -0.0478 0.0594 667 GLU B CB 5055 C CG . GLU A 649 ? 0.8347 0.8942 0.8440 -0.0223 -0.0481 0.0695 667 GLU B CG 5056 C CD . GLU A 649 ? 0.9649 1.0209 0.9692 -0.0148 -0.0406 0.0675 667 GLU B CD 5057 O OE1 . GLU A 649 ? 0.9818 1.0398 0.9905 -0.0162 -0.0355 0.0616 667 GLU B OE1 5058 O OE2 . GLU A 649 ? 1.0399 1.0894 1.0343 -0.0071 -0.0408 0.0716 667 GLU B OE2 5059 N N . PRO A 650 ? 0.5580 0.5961 0.5306 -0.0453 -0.0357 0.0379 668 PRO B N 5060 C CA . PRO A 650 ? 0.5511 0.5905 0.5183 -0.0498 -0.0320 0.0287 668 PRO B CA 5061 C C . PRO A 650 ? 0.5693 0.6091 0.5444 -0.0489 -0.0370 0.0264 668 PRO B C 5062 O O . PRO A 650 ? 0.5995 0.6426 0.5893 -0.0458 -0.0419 0.0321 668 PRO B O 5063 C CB . PRO A 650 ? 0.5221 0.5697 0.4957 -0.0474 -0.0242 0.0251 668 PRO B CB 5064 C CG . PRO A 650 ? 0.5158 0.5602 0.4894 -0.0443 -0.0241 0.0315 668 PRO B CG 5065 C CD . PRO A 650 ? 0.5184 0.5603 0.4973 -0.0396 -0.0306 0.0394 668 PRO B CD 5066 N N . CYS A 651 ? 0.5667 0.6024 0.5300 -0.0517 -0.0360 0.0182 669 CYS B N 5067 C CA . CYS A 651 ? 0.6550 0.6852 0.6201 -0.0505 -0.0419 0.0143 669 CYS B CA 5068 C C . CYS A 651 ? 0.6444 0.6814 0.6269 -0.0447 -0.0399 0.0134 669 CYS B C 5069 O O . CYS A 651 ? 0.5443 0.5913 0.5345 -0.0414 -0.0322 0.0127 669 CYS B O 5070 C CB . CYS A 651 ? 0.6673 0.6910 0.6128 -0.0514 -0.0396 0.0042 669 CYS B CB 5071 S SG . CYS A 651 ? 0.7679 0.8063 0.7112 -0.0478 -0.0254 -0.0038 669 CYS B SG 5072 N N . LYS A 652 ? 0.7128 0.7426 0.7001 -0.0445 -0.0483 0.0139 670 LYS B N 5073 C CA . LYS A 652 ? 0.7758 0.8083 0.7766 -0.0398 -0.0483 0.0131 670 LYS B CA 5074 C C . LYS A 652 ? 0.8419 0.8611 0.8302 -0.0371 -0.0512 0.0027 670 LYS B C 5075 O O . LYS A 652 ? 0.9203 0.9237 0.8953 -0.0408 -0.0605 0.0011 670 LYS B O 5076 C CB . LYS A 652 ? 0.7916 0.8268 0.8094 -0.0421 -0.0566 0.0247 670 LYS B CB 5077 C CG . LYS A 652 ? 0.8710 0.9189 0.8985 -0.0419 -0.0540 0.0351 670 LYS B CG 5078 C CD . LYS A 652 ? 0.8996 0.9595 0.9478 -0.0390 -0.0548 0.0450 670 LYS B CD 5079 C CE . LYS A 652 ? 0.9120 0.9840 0.9666 -0.0352 -0.0512 0.0542 670 LYS B CE 5080 N NZ . LYS A 652 ? 0.9020 0.9881 0.9748 -0.0300 -0.0493 0.0634 670 LYS B NZ 5081 N N . GLU A 653 ? 0.8298 0.8543 0.8205 -0.0298 -0.0440 -0.0045 671 GLU B N 5082 C CA . GLU A 653 ? 0.8434 0.8551 0.8211 -0.0236 -0.0461 -0.0150 671 GLU B CA 5083 C C . GLU A 653 ? 0.9145 0.9067 0.8923 -0.0261 -0.0603 -0.0121 671 GLU B C 5084 O O . GLU A 653 ? 0.9090 0.9051 0.9044 -0.0281 -0.0641 -0.0037 671 GLU B O 5085 C CB . GLU A 653 ? 0.7787 0.8029 0.7639 -0.0144 -0.0367 -0.0210 671 GLU B CB 5086 C CG . GLU A 653 ? 0.8320 0.8473 0.8011 -0.0044 -0.0356 -0.0333 671 GLU B CG 5087 C CD . GLU A 653 ? 0.9367 0.9610 0.8899 -0.0024 -0.0264 -0.0400 671 GLU B CD 5088 O OE1 . GLU A 653 ? 0.9521 0.9961 0.9121 -0.0073 -0.0177 -0.0360 671 GLU B OE1 5089 O OE2 . GLU A 653 ? 0.9936 1.0044 0.9258 0.0040 -0.0284 -0.0490 671 GLU B OE2 5090 N N . ILE A 654 ? 1.0000 0.9702 0.9563 -0.0265 -0.0689 -0.0183 672 ILE B N 5091 C CA . ILE A 654 ? 1.1027 1.0507 1.0558 -0.0320 -0.0854 -0.0142 672 ILE B CA 5092 C C . ILE A 654 ? 1.1981 1.1320 1.1480 -0.0236 -0.0887 -0.0208 672 ILE B C 5093 O O . ILE A 654 ? 1.1868 1.1202 1.1257 -0.0115 -0.0805 -0.0326 672 ILE B O 5094 C CB . ILE A 654 ? 1.1047 1.0305 1.0331 -0.0371 -0.0958 -0.0176 672 ILE B CB 5095 C CG1 . ILE A 654 ? 1.1178 1.0192 1.0179 -0.0269 -0.0980 -0.0326 672 ILE B CG1 5096 C CG2 . ILE A 654 ? 1.0779 1.0175 1.0025 -0.0405 -0.0881 -0.0163 672 ILE B CG2 5097 C CD1 . ILE A 654 ? 1.1502 1.0197 1.0243 -0.0326 -0.1143 -0.0348 672 ILE B CD1 5098 N N . LEU A 655 ? 1.3050 1.2291 1.2648 -0.0299 -0.1007 -0.0121 673 LEU B N 5099 C CA . LEU A 655 ? 1.3856 1.2913 1.3409 -0.0238 -0.1070 -0.0164 673 LEU B CA 5100 C C . LEU A 655 ? 1.3960 1.2660 1.3318 -0.0312 -0.1273 -0.0158 673 LEU B C 5101 O O . LEU A 655 ? 1.4014 1.2672 1.3360 -0.0439 -0.1372 -0.0077 673 LEU B O 5102 C CB . LEU A 655 ? 1.4342 1.3570 1.4166 -0.0258 -0.1047 -0.0057 673 LEU B CB 5103 C CG . LEU A 655 ? 1.4785 1.4276 1.4760 -0.0160 -0.0878 -0.0086 673 LEU B CG 5104 C CD1 . LEU A 655 ? 1.4615 1.4359 1.4667 -0.0177 -0.0753 -0.0066 673 LEU B CD1 5105 C CD2 . LEU A 655 ? 1.5035 1.4616 1.5222 -0.0179 -0.0889 0.0016 673 LEU B CD2 5106 N N . ARG A 656 ? 1.3760 1.2185 1.2948 -0.0230 -0.1347 -0.0243 674 ARG B N 5107 C CA . ARG A 656 ? 1.3732 1.1738 1.2657 -0.0286 -0.1555 -0.0263 674 ARG B CA 5108 C C . ARG A 656 ? 1.3625 1.1414 1.2569 -0.0320 -0.1695 -0.0208 674 ARG B C 5109 O O . ARG A 656 ? 1.3396 1.0985 1.2312 -0.0476 -0.1885 -0.0104 674 ARG B O 5110 C CB . ARG A 656 ? 1.3595 1.1356 1.2158 -0.0134 -0.1540 -0.0450 674 ARG B CB 5111 C CG . ARG A 656 ? 1.2963 1.0958 1.1500 -0.0095 -0.1386 -0.0503 674 ARG B CG 5112 C CD . ARG A 656 ? 1.2976 1.0837 1.1202 0.0092 -0.1316 -0.0684 674 ARG B CD 5113 N NE . ARG A 656 ? 1.3405 1.0837 1.1255 0.0088 -0.1481 -0.0756 674 ARG B NE 5114 C CZ . ARG A 656 ? 1.3586 1.0620 1.1147 0.0196 -0.1599 -0.0857 674 ARG B CZ 5115 N NH1 . ARG A 656 ? 1.3658 1.0688 1.1280 0.0322 -0.1564 -0.0896 674 ARG B NH1 5116 N NH2 . ARG A 656 ? 1.3757 1.0374 1.0945 0.0185 -0.1760 -0.0921 674 ARG B NH2 5117 N N . LEU B 1 ? 1.7874 1.6265 1.8428 -0.3197 -0.0774 -0.3240 679 LEU A N 5118 C CA . LEU B 1 ? 1.7608 1.6206 1.8516 -0.2850 -0.0801 -0.3043 679 LEU A CA 5119 C C . LEU B 1 ? 1.8532 1.7501 1.9397 -0.2739 -0.0886 -0.2984 679 LEU A C 5120 O O . LEU B 1 ? 1.8153 1.7526 1.9254 -0.2571 -0.1014 -0.2788 679 LEU A O 5121 C CB . LEU B 1 ? 1.6602 1.4725 1.7652 -0.2622 -0.0587 -0.3075 679 LEU A CB 5122 C CG . LEU B 1 ? 1.5500 1.3376 1.6779 -0.2587 -0.0530 -0.3013 679 LEU A CG 5123 C CD1 . LEU B 1 ? 1.4355 1.2669 1.5936 -0.2500 -0.0715 -0.2782 679 LEU A CD1 5124 C CD2 . LEU B 1 ? 1.5696 1.3222 1.6738 -0.2890 -0.0460 -0.3186 679 LEU A CD2 5125 N N . GLN B 2 ? 1.9883 1.8697 2.0435 -0.2837 -0.0804 -0.3155 680 GLN A N 5126 C CA . GLN B 2 ? 2.0435 1.9601 2.0913 -0.2764 -0.0887 -0.3106 680 GLN A CA 5127 C C . GLN B 2 ? 2.0101 1.9807 2.0532 -0.2949 -0.1116 -0.3002 680 GLN A C 5128 O O . GLN B 2 ? 1.9861 2.0002 2.0460 -0.2798 -0.1242 -0.2823 680 GLN A O 5129 C CB . GLN B 2 ? 2.1559 2.0415 2.1692 -0.2844 -0.0736 -0.3321 680 GLN A CB 5130 C CG . GLN B 2 ? 2.2005 2.1210 2.2037 -0.2785 -0.0817 -0.3278 680 GLN A CG 5131 C CD . GLN B 2 ? 2.2811 2.1705 2.2487 -0.2874 -0.0660 -0.3495 680 GLN A CD 5132 O OE1 . GLN B 2 ? 2.2783 2.1680 2.2476 -0.2678 -0.0592 -0.3483 680 GLN A OE1 5133 N NE2 . GLN B 2 ? 2.3458 2.2073 2.2791 -0.3183 -0.0596 -0.3697 680 GLN A NE2 5134 N N . LYS B 3 ? 2.0203 1.9888 2.0406 -0.3281 -0.1166 -0.3104 681 LYS A N 5135 C CA . LYS B 3 ? 1.9505 1.9729 1.9678 -0.3477 -0.1386 -0.2987 681 LYS A CA 5136 C C . LYS B 3 ? 1.8627 1.9207 1.9187 -0.3335 -0.1513 -0.2744 681 LYS A C 5137 O O . LYS B 3 ? 1.8461 1.9565 1.9142 -0.3302 -0.1674 -0.2563 681 LYS A O 5138 C CB . LYS B 3 ? 1.9671 1.9769 1.9516 -0.3884 -0.1407 -0.3147 681 LYS A CB 5139 C CG . LYS B 3 ? 1.9753 1.9510 1.9159 -0.4070 -0.1282 -0.3396 681 LYS A CG 5140 C CD . LYS B 3 ? 1.9996 1.9613 1.9053 -0.4500 -0.1306 -0.3555 681 LYS A CD 5141 C CE . LYS B 3 ? 2.0257 1.9507 1.8835 -0.4701 -0.1168 -0.3816 681 LYS A CE 5142 N NZ . LYS B 3 ? 2.0529 1.9612 1.8763 -0.5056 -0.1172 -0.3920 681 LYS A NZ 5143 N N . LYS B 4 ? 1.7575 1.7872 1.8335 -0.3244 -0.1434 -0.2732 682 LYS A N 5144 C CA . LYS B 4 ? 1.6459 1.7054 1.7577 -0.3092 -0.1533 -0.2508 682 LYS A CA 5145 C C . LYS B 4 ? 1.5799 1.6645 1.7143 -0.2769 -0.1558 -0.2341 682 LYS A C 5146 O O . LYS B 4 ? 1.5208 1.6388 1.6811 -0.2653 -0.1656 -0.2141 682 LYS A O 5147 C CB . LYS B 4 ? 1.6282 1.6489 1.7556 -0.3049 -0.1428 -0.2531 682 LYS A CB 5148 C CG . LYS B 4 ? 1.6592 1.6599 1.7685 -0.3378 -0.1425 -0.2658 682 LYS A CG 5149 C CD . LYS B 4 ? 1.6310 1.6053 1.7620 -0.3326 -0.1361 -0.2618 682 LYS A CD 5150 C CE . LYS B 4 ? 1.6498 1.6105 1.7645 -0.3667 -0.1383 -0.2716 682 LYS A CE 5151 N NZ . LYS B 4 ? 1.6273 1.5680 1.7656 -0.3616 -0.1339 -0.2648 682 LYS A NZ 5152 N N . ILE B 5 ? 1.5935 1.6616 1.7179 -0.2623 -0.1462 -0.2416 683 ILE A N 5153 C CA . ILE B 5 ? 1.5318 1.6220 1.6745 -0.2335 -0.1483 -0.2266 683 ILE A CA 5154 C C . ILE B 5 ? 1.5978 1.7211 1.7229 -0.2393 -0.1569 -0.2256 683 ILE A C 5155 O O . ILE B 5 ? 1.5503 1.7095 1.6896 -0.2233 -0.1652 -0.2085 683 ILE A O 5156 C CB . ILE B 5 ? 1.4359 1.4864 1.5858 -0.2098 -0.1317 -0.2321 683 ILE A CB 5157 C CG1 . ILE B 5 ? 1.3841 1.4063 1.5548 -0.2029 -0.1244 -0.2294 683 ILE A CG1 5158 C CG2 . ILE B 5 ? 1.3558 1.4285 1.5200 -0.1833 -0.1342 -0.2178 683 ILE A CG2 5159 C CD1 . ILE B 5 ? 1.3426 1.3348 1.5274 -0.1774 -0.1103 -0.2283 683 ILE A CD1 5160 N N . GLU B 6 ? 1.7334 1.8440 1.8262 -0.2631 -0.1544 -0.2435 684 GLU A N 5161 C CA . GLU B 6 ? 1.8397 1.9842 1.9132 -0.2732 -0.1640 -0.2421 684 GLU A CA 5162 C C . GLU B 6 ? 1.9079 2.1092 1.9948 -0.2813 -0.1836 -0.2215 684 GLU A C 5163 O O . GLU B 6 ? 1.8833 2.1237 1.9742 -0.2730 -0.1926 -0.2078 684 GLU A O 5164 C CB . GLU B 6 ? 1.9072 2.0270 1.9406 -0.3024 -0.1583 -0.2656 684 GLU A CB 5165 C CG . GLU B 6 ? 1.9353 2.0108 1.9509 -0.2922 -0.1393 -0.2838 684 GLU A CG 5166 C CD . GLU B 6 ? 2.0212 2.0695 1.9940 -0.3230 -0.1321 -0.3080 684 GLU A CD 5167 O OE1 . GLU B 6 ? 2.0475 2.1019 2.0055 -0.3529 -0.1401 -0.3126 684 GLU A OE1 5168 O OE2 . GLU B 6 ? 2.0617 2.0823 2.0145 -0.3183 -0.1180 -0.3224 684 GLU A OE2 5169 N N . GLU B 7 ? 1.9976 2.2046 2.0932 -0.2969 -0.1897 -0.2179 685 GLU A N 5170 C CA . GLU B 7 ? 1.9574 2.2194 2.0709 -0.3024 -0.2069 -0.1959 685 GLU A CA 5171 C C . GLU B 7 ? 1.8594 2.1440 2.0067 -0.2695 -0.2084 -0.1739 685 GLU A C 5172 O O . GLU B 7 ? 1.9163 2.2482 2.0749 -0.2640 -0.2193 -0.1549 685 GLU A O 5173 C CB . GLU B 7 ? 1.9719 2.2314 2.0888 -0.3250 -0.2114 -0.1970 685 GLU A CB 5174 C CG . GLU B 7 ? 2.0385 2.2790 2.1193 -0.3622 -0.2114 -0.2176 685 GLU A CG 5175 C CD . GLU B 7 ? 2.0590 2.2846 2.1428 -0.3824 -0.2122 -0.2214 685 GLU A CD 5176 O OE1 . GLU B 7 ? 2.0486 2.2702 2.1618 -0.3650 -0.2099 -0.2107 685 GLU A OE1 5177 O OE2 . GLU B 7 ? 2.0836 2.3008 2.1389 -0.4167 -0.2150 -0.2351 685 GLU A OE2 5178 N N . ILE B 8 ? 1.5910 1.8416 1.7541 -0.2478 -0.1968 -0.1757 686 ILE A N 5179 C CA . ILE B 8 ? 1.3071 1.5735 1.4988 -0.2184 -0.1968 -0.1566 686 ILE A CA 5180 C C . ILE B 8 ? 1.2004 1.4832 1.3884 -0.2013 -0.1970 -0.1507 686 ILE A C 5181 O O . ILE B 8 ? 1.1026 1.4243 1.3053 -0.1902 -0.2045 -0.1313 686 ILE A O 5182 C CB . ILE B 8 ? 1.1944 1.4189 1.3998 -0.2015 -0.1844 -0.1610 686 ILE A CB 5183 C CG1 . ILE B 8 ? 1.1630 1.3717 1.3732 -0.2181 -0.1842 -0.1653 686 ILE A CG1 5184 C CG2 . ILE B 8 ? 1.1187 1.3574 1.3489 -0.1735 -0.1841 -0.1423 686 ILE A CG2 5185 C CD1 . ILE B 8 ? 1.1267 1.2938 1.3496 -0.2037 -0.1720 -0.1692 686 ILE A CD1 5186 N N . ALA B 9 ? 1.2315 1.4837 1.4003 -0.1984 -0.1874 -0.1669 687 ALA A N 5187 C CA . ALA B 9 ? 1.2475 1.5120 1.4113 -0.1828 -0.1867 -0.1625 687 ALA A CA 5188 C C . ALA B 9 ? 1.3586 1.6690 1.5124 -0.1966 -0.1999 -0.1538 687 ALA A C 5189 O O . ALA B 9 ? 1.3379 1.6795 1.5027 -0.1812 -0.2048 -0.1368 687 ALA A O 5190 C CB . ALA B 9 ? 1.2251 1.4485 1.3688 -0.1806 -0.1736 -0.1825 687 ALA A CB 5191 N N . ALA B 10 ? 1.4742 1.7894 1.6068 -0.2265 -0.2055 -0.1643 688 ALA A N 5192 C CA . ALA B 10 ? 1.5244 1.8864 1.6468 -0.2429 -0.2194 -0.1547 688 ALA A CA 5193 C C . ALA B 10 ? 1.5034 1.9146 1.6543 -0.2365 -0.2313 -0.1277 688 ALA A C 5194 O O . ALA B 10 ? 1.5639 2.0183 1.7178 -0.2351 -0.2406 -0.1115 688 ALA A O 5195 C CB . ALA B 10 ? 1.5652 1.9208 1.6580 -0.2795 -0.2234 -0.1713 688 ALA A CB 5196 N N . LYS B 11 ? 1.3449 1.7507 1.5177 -0.2319 -0.2302 -0.1216 689 LYS A N 5197 C CA . LYS B 11 ? 1.2167 1.6673 1.4179 -0.2243 -0.2391 -0.0958 689 LYS A CA 5198 C C . LYS B 11 ? 1.1173 1.5809 1.3364 -0.1925 -0.2353 -0.0791 689 LYS A C 5199 O O . LYS B 11 ? 1.0654 1.5740 1.3002 -0.1864 -0.2428 -0.0568 689 LYS A O 5200 C CB . LYS B 11 ? 1.1771 1.6142 1.3959 -0.2260 -0.2369 -0.0946 689 LYS A CB 5201 C CG . LYS B 11 ? 1.1029 1.5864 1.3499 -0.2226 -0.2455 -0.0690 689 LYS A CG 5202 C CD . LYS B 11 ? 1.0657 1.5302 1.3289 -0.2223 -0.2415 -0.0694 689 LYS A CD 5203 C CE . LYS B 11 ? 1.0236 1.5331 1.3152 -0.2189 -0.2484 -0.0441 689 LYS A CE 5204 N NZ . LYS B 11 ? 1.0680 1.6134 1.3557 -0.2496 -0.2618 -0.0393 689 LYS A NZ 5205 N N . TYR B 12 ? 1.0731 1.4978 1.2901 -0.1722 -0.2232 -0.0887 690 TYR A N 5206 C CA . TYR B 12 ? 1.0075 1.4372 1.2397 -0.1428 -0.2181 -0.0746 690 TYR A CA 5207 C C . TYR B 12 ? 1.1093 1.5275 1.3241 -0.1339 -0.2136 -0.0822 690 TYR A C 5208 O O . TYR B 12 ? 1.1253 1.5311 1.3475 -0.1103 -0.2062 -0.0772 690 TYR A O 5209 C CB . TYR B 12 ? 0.8799 1.2779 1.1281 -0.1252 -0.2083 -0.0751 690 TYR A CB 5210 C CG . TYR B 12 ? 0.7934 1.2037 1.0609 -0.1305 -0.2116 -0.0652 690 TYR A CG 5211 C CD1 . TYR B 12 ? 0.8033 1.1922 1.0668 -0.1486 -0.2116 -0.0783 690 TYR A CD1 5212 C CD2 . TYR B 12 ? 0.7251 1.1671 1.0149 -0.1171 -0.2136 -0.0426 690 TYR A CD2 5213 C CE1 . TYR B 12 ? 0.7846 1.1852 1.0659 -0.1539 -0.2146 -0.0689 690 TYR A CE1 5214 C CE2 . TYR B 12 ? 0.6895 1.1436 0.9974 -0.1216 -0.2158 -0.0331 690 TYR A CE2 5215 C CZ . TYR B 12 ? 0.7342 1.1684 1.0378 -0.1404 -0.2170 -0.0463 690 TYR A CZ 5216 O OH . TYR B 12 ? 0.7287 1.1753 1.0502 -0.1455 -0.2192 -0.0366 690 TYR A OH 5217 N N . LYS B 13 ? 1.1995 1.6212 1.3898 -0.1534 -0.2178 -0.0941 691 LYS A N 5218 C CA . LYS B 13 ? 1.2557 1.6680 1.4287 -0.1459 -0.2134 -0.1011 691 LYS A CA 5219 C C . LYS B 13 ? 1.2297 1.6771 1.4146 -0.1280 -0.2172 -0.0792 691 LYS A C 5220 O O . LYS B 13 ? 1.1992 1.6316 1.3861 -0.1066 -0.2095 -0.0776 691 LYS A O 5221 C CB . LYS B 13 ? 1.3397 1.7523 1.4823 -0.1729 -0.2174 -0.1171 691 LYS A CB 5222 C CG . LYS B 13 ? 1.4118 1.7732 1.5347 -0.1821 -0.2061 -0.1438 691 LYS A CG 5223 C CD . LYS B 13 ? 1.4730 1.8344 1.5632 -0.2125 -0.2097 -0.1599 691 LYS A CD 5224 C CE . LYS B 13 ? 1.4936 1.8009 1.5646 -0.2222 -0.1961 -0.1864 691 LYS A CE 5225 N NZ . LYS B 13 ? 1.5193 1.8226 1.5549 -0.2544 -0.1982 -0.2036 691 LYS A NZ 5226 N N . HIS B 14 ? 1.2766 1.7711 1.4702 -0.1366 -0.2287 -0.0611 692 HIS A N 5227 C CA . HIS B 14 ? 1.3520 1.8824 1.5594 -0.1197 -0.2318 -0.0376 692 HIS A CA 5228 C C . HIS B 14 ? 1.2862 1.8406 1.5240 -0.1075 -0.2329 -0.0154 692 HIS A C 5229 O O . HIS B 14 ? 1.2656 1.8602 1.5175 -0.0996 -0.2375 0.0076 692 HIS A O 5230 C CB . HIS B 14 ? 1.4669 2.0373 1.6605 -0.1374 -0.2435 -0.0310 692 HIS A CB 5231 C CG . HIS B 14 ? 1.5824 2.1314 1.7449 -0.1474 -0.2412 -0.0510 692 HIS A CG 5232 N ND1 . HIS B 14 ? 1.6471 2.2081 1.7848 -0.1770 -0.2496 -0.0613 692 HIS A ND1 5233 C CD2 . HIS B 14 ? 1.6158 2.1326 1.7672 -0.1324 -0.2308 -0.0623 692 HIS A CD2 5234 C CE1 . HIS B 14 ? 1.6793 2.2147 1.7914 -0.1790 -0.2434 -0.0788 692 HIS A CE1 5235 N NE2 . HIS B 14 ? 1.6608 2.1703 1.7821 -0.1517 -0.2322 -0.0792 692 HIS A NE2 5236 N N . SER B 15 ? 1.2150 1.7455 1.4635 -0.1054 -0.2279 -0.0209 693 SER A N 5237 C CA . SER B 15 ? 1.1301 1.6810 1.4061 -0.0948 -0.2276 -0.0011 693 SER A CA 5238 C C . SER B 15 ? 1.0470 1.5929 1.3360 -0.0648 -0.2178 0.0127 693 SER A C 5239 O O . SER B 15 ? 1.0049 1.5176 1.2834 -0.0519 -0.2095 0.0024 693 SER A O 5240 C CB . SER B 15 ? 1.1056 1.6294 1.3874 -0.1013 -0.2243 -0.0117 693 SER A CB 5241 O OG . SER B 15 ? 1.0901 1.5655 1.3647 -0.0891 -0.2133 -0.0274 693 SER A OG 5242 N N . VAL B 16 ? 1.0317 1.6110 1.3437 -0.0543 -0.2182 0.0368 694 VAL A N 5243 C CA . VAL B 16 ? 0.9967 1.5687 1.3205 -0.0265 -0.2070 0.0504 694 VAL A CA 5244 C C . VAL B 16 ? 0.9603 1.4861 1.2837 -0.0163 -0.1963 0.0383 694 VAL A C 5245 O O . VAL B 16 ? 0.9022 1.4004 1.2190 0.0004 -0.1871 0.0349 694 VAL A O 5246 C CB . VAL B 16 ? 0.9796 1.5947 1.3295 -0.0178 -0.2075 0.0787 694 VAL A CB 5247 C CG1 . VAL B 16 ? 0.9648 1.5709 1.3236 0.0106 -0.1942 0.0927 694 VAL A CG1 5248 C CG2 . VAL B 16 ? 0.9743 1.6404 1.3266 -0.0320 -0.2205 0.0922 694 VAL A CG2 5249 N N . VAL B 17 ? 0.9807 1.4984 1.3105 -0.0273 -0.1978 0.0322 695 VAL A N 5250 C CA . VAL B 17 ? 0.9367 1.4131 1.2665 -0.0207 -0.1891 0.0214 695 VAL A CA 5251 C C . VAL B 17 ? 0.9356 1.3825 1.2477 -0.0370 -0.1919 -0.0028 695 VAL A C 5252 O O . VAL B 17 ? 0.9871 1.4355 1.2991 -0.0558 -0.1976 -0.0105 695 VAL A O 5253 C CB . VAL B 17 ? 0.9192 1.4051 1.2689 -0.0203 -0.1874 0.0323 695 VAL A CB 5254 C CG1 . VAL B 17 ? 0.9370 1.4599 1.2949 -0.0411 -0.1990 0.0377 695 VAL A CG1 5255 C CG2 . VAL B 17 ? 0.9286 1.3737 1.2758 -0.0206 -0.1816 0.0186 695 VAL A CG2 5256 N N . LYS B 18 ? 0.8849 1.3044 1.1818 -0.0298 -0.1870 -0.0144 696 LYS A N 5257 C CA . LYS B 18 ? 0.8313 1.2215 1.1114 -0.0422 -0.1870 -0.0365 696 LYS A CA 5258 C C . LYS B 18 ? 0.7634 1.1114 1.0432 -0.0324 -0.1777 -0.0461 696 LYS A C 5259 O O . LYS B 18 ? 0.7199 1.0436 0.9955 -0.0431 -0.1765 -0.0605 696 LYS A O 5260 C CB . LYS B 18 ? 0.8484 1.2433 1.1104 -0.0442 -0.1889 -0.0428 696 LYS A CB 5261 C CG . LYS B 18 ? 0.8651 1.2620 1.1275 -0.0229 -0.1836 -0.0320 696 LYS A CG 5262 C CD . LYS B 18 ? 0.8943 1.3052 1.1407 -0.0264 -0.1873 -0.0344 696 LYS A CD 5263 C CE . LYS B 18 ? 0.9063 1.2888 1.1328 -0.0376 -0.1853 -0.0570 696 LYS A CE 5264 N NZ . LYS B 18 ? 0.9307 1.3245 1.1400 -0.0401 -0.1876 -0.0598 696 LYS A NZ 5265 N N . LYS B 19 ? 0.7134 1.0519 0.9973 -0.0129 -0.1708 -0.0375 697 LYS A N 5266 C CA . LYS B 19 ? 0.6829 0.9848 0.9668 -0.0046 -0.1631 -0.0441 697 LYS A CA 5267 C C . LYS B 19 ? 0.6915 0.9849 0.9884 -0.0089 -0.1622 -0.0423 697 LYS A C 5268 O O . LYS B 19 ? 0.6975 0.9625 0.9940 -0.0120 -0.1591 -0.0523 697 LYS A O 5269 C CB . LYS B 19 ? 0.6510 0.9465 0.9339 0.0145 -0.1565 -0.0344 697 LYS A CB 5270 C CG . LYS B 19 ? 0.6612 0.9231 0.9445 0.0220 -0.1495 -0.0380 697 LYS A CG 5271 C CD . LYS B 19 ? 0.6161 0.8708 0.8950 0.0382 -0.1432 -0.0288 697 LYS A CD 5272 C CE . LYS B 19 ? 0.6161 0.8411 0.8957 0.0426 -0.1376 -0.0300 697 LYS A CE 5273 N NZ . LYS B 19 ? 0.6408 0.8453 0.9184 0.0354 -0.1382 -0.0436 697 LYS A NZ 5274 N N . CYS B 20 ? 0.6842 1.0030 0.9938 -0.0088 -0.1646 -0.0285 698 CYS A N 5275 C CA . CYS B 20 ? 0.7502 1.0630 1.0724 -0.0126 -0.1636 -0.0255 698 CYS A CA 5276 C C . CYS B 20 ? 0.7888 1.0905 1.1092 -0.0313 -0.1679 -0.0395 698 CYS A C 5277 O O . CYS B 20 ? 0.8104 1.0892 1.1359 -0.0335 -0.1649 -0.0437 698 CYS A O 5278 C CB . CYS B 20 ? 0.8010 1.1473 1.1376 -0.0102 -0.1652 -0.0079 698 CYS A CB 5279 S SG . CYS B 20 ? 0.8296 1.1882 1.1683 0.0123 -0.1576 0.0097 698 CYS A SG 5280 N N . CYS B 21 ? 0.8026 1.1189 1.1144 -0.0456 -0.1746 -0.0467 699 CYS A N 5281 C CA . CYS B 21 ? 0.7903 1.0900 1.0957 -0.0643 -0.1768 -0.0624 699 CYS A CA 5282 C C . CYS B 21 ? 0.7755 1.0348 1.0717 -0.0601 -0.1692 -0.0770 699 CYS A C 5283 O O . CYS B 21 ? 0.8010 1.0354 1.0998 -0.0668 -0.1662 -0.0853 699 CYS A O 5284 C CB . CYS B 21 ? 0.7780 1.1009 1.0718 -0.0821 -0.1850 -0.0675 699 CYS A CB 5285 S SG . CYS B 21 ? 0.7836 1.0787 1.0622 -0.1064 -0.1851 -0.0902 699 CYS A SG 5286 N N . TYR B 22 ? 0.7535 1.0067 1.0403 -0.0486 -0.1657 -0.0790 700 TYR A N 5287 C CA . TYR B 22 ? 0.8100 1.0286 1.0898 -0.0440 -0.1582 -0.0911 700 TYR A CA 5288 C C . TYR B 22 ? 0.8456 1.0413 1.1380 -0.0347 -0.1526 -0.0867 700 TYR A C 5289 O O . TYR B 22 ? 0.8773 1.0495 1.1729 -0.0412 -0.1493 -0.0947 700 TYR A O 5290 C CB . TYR B 22 ? 0.8350 1.0549 1.1043 -0.0322 -0.1557 -0.0911 700 TYR A CB 5291 C CG . TYR B 22 ? 0.8792 1.0667 1.1439 -0.0258 -0.1474 -0.1009 700 TYR A CG 5292 C CD1 . TYR B 22 ? 0.8554 1.0285 1.1277 -0.0109 -0.1425 -0.0935 700 TYR A CD1 5293 C CD2 . TYR B 22 ? 0.9158 1.0871 1.1680 -0.0352 -0.1438 -0.1170 700 TYR A CD2 5294 C CE1 . TYR B 22 ? 0.8736 1.0211 1.1444 -0.0051 -0.1353 -0.0999 700 TYR A CE1 5295 C CE2 . TYR B 22 ? 0.9078 1.0509 1.1584 -0.0279 -0.1348 -0.1242 700 TYR A CE2 5296 C CZ . TYR B 22 ? 0.9150 1.0482 1.1764 -0.0126 -0.1312 -0.1147 700 TYR A CZ 5297 O OH . TYR B 22 ? 0.9676 1.0766 1.2300 -0.0054 -0.1227 -0.1194 700 TYR A OH 5298 N N . ASP B 23 ? 0.8072 1.0086 1.1058 -0.0201 -0.1511 -0.0736 701 ASP A N 5299 C CA . ASP B 23 ? 0.7574 0.9383 1.0656 -0.0131 -0.1465 -0.0687 701 ASP A CA 5300 C C . ASP B 23 ? 0.7470 0.9311 1.0673 -0.0214 -0.1488 -0.0644 701 ASP A C 5301 O O . ASP B 23 ? 0.7845 0.9515 1.1127 -0.0183 -0.1455 -0.0606 701 ASP A O 5302 C CB . ASP B 23 ? 0.7285 0.9115 1.0359 0.0025 -0.1435 -0.0570 701 ASP A CB 5303 C CG . ASP B 23 ? 0.7205 0.9321 1.0279 0.0068 -0.1460 -0.0461 701 ASP A CG 5304 O OD1 . ASP B 23 ? 0.8318 1.0626 1.1469 -0.0008 -0.1500 -0.0420 701 ASP A OD1 5305 O OD2 . ASP B 23 ? 0.6348 0.8499 0.9355 0.0180 -0.1434 -0.0407 701 ASP A OD2 5306 N N . GLY B 24 ? 0.7077 0.9144 1.0298 -0.0328 -0.1546 -0.0639 702 GLY A N 5307 C CA . GLY B 24 ? 0.7119 0.9188 1.0445 -0.0439 -0.1568 -0.0626 702 GLY A CA 5308 C C . GLY B 24 ? 0.7138 0.8930 1.0444 -0.0550 -0.1546 -0.0765 702 GLY A C 5309 O O . GLY B 24 ? 0.7009 0.8647 1.0412 -0.0578 -0.1525 -0.0751 702 GLY A O 5310 N N . ALA B 25 ? 0.7089 0.8800 1.0265 -0.0612 -0.1538 -0.0898 703 ALA A N 5311 C CA . ALA B 25 ? 0.7370 0.8787 1.0503 -0.0715 -0.1491 -0.1042 703 ALA A CA 5312 C C . ALA B 25 ? 0.7262 0.8370 1.0442 -0.0592 -0.1404 -0.1056 703 ALA A C 5313 O O . ALA B 25 ? 0.7108 0.7944 1.0276 -0.0649 -0.1341 -0.1161 703 ALA A O 5314 C CB . ALA B 25 ? 0.7428 0.8860 1.0377 -0.0832 -0.1499 -0.1183 703 ALA A CB 5315 N N . CYS B 26 ? 0.7073 0.8213 1.0305 -0.0433 -0.1392 -0.0947 704 CYS A N 5316 C CA . CYS B 26 ? 0.7025 0.7915 1.0311 -0.0327 -0.1322 -0.0935 704 CYS A CA 5317 C C . CYS B 26 ? 0.7011 0.7746 1.0443 -0.0352 -0.1304 -0.0881 704 CYS A C 5318 O O . CYS B 26 ? 0.7052 0.7904 1.0551 -0.0407 -0.1349 -0.0814 704 CYS A O 5319 C CB . CYS B 26 ? 0.6572 0.7549 0.9846 -0.0177 -0.1323 -0.0830 704 CYS A CB 5320 S SG . CYS B 26 ? 0.6630 0.7717 0.9741 -0.0124 -0.1322 -0.0891 704 CYS A SG 5321 N N . VAL B 27 ? 0.6951 0.7432 1.0446 -0.0306 -0.1233 -0.0898 705 VAL A N 5322 C CA . VAL B 27 ? 0.6992 0.7306 1.0632 -0.0335 -0.1209 -0.0847 705 VAL A CA 5323 C C . VAL B 27 ? 0.6674 0.7076 1.0400 -0.0260 -0.1243 -0.0683 705 VAL A C 5324 O O . VAL B 27 ? 0.6049 0.6488 0.9750 -0.0154 -0.1240 -0.0615 705 VAL A O 5325 C CB . VAL B 27 ? 0.6730 0.6754 1.0428 -0.0299 -0.1111 -0.0897 705 VAL A CB 5326 C CG1 . VAL B 27 ? 0.6140 0.5992 0.9998 -0.0335 -0.1083 -0.0837 705 VAL A CG1 5327 C CG2 . VAL B 27 ? 0.7580 0.7495 1.1147 -0.0374 -0.1059 -0.1074 705 VAL A CG2 5328 N N . ASN B 28 ? 0.7108 0.7535 1.0919 -0.0329 -0.1272 -0.0622 706 ASN A N 5329 C CA . ASN B 28 ? 0.7426 0.7902 1.1305 -0.0281 -0.1293 -0.0472 706 ASN A CA 5330 C C . ASN B 28 ? 0.8069 0.8445 1.2076 -0.0369 -0.1292 -0.0435 706 ASN A C 5331 O O . ASN B 28 ? 0.8324 0.8815 1.2343 -0.0456 -0.1328 -0.0434 706 ASN A O 5332 C CB . ASN B 28 ? 0.7081 0.7802 1.0884 -0.0259 -0.1337 -0.0415 706 ASN A CB 5333 C CG . ASN B 28 ? 0.6848 0.7582 1.0671 -0.0209 -0.1339 -0.0274 706 ASN A CG 5334 O OD1 . ASN B 28 ? 0.7105 0.7714 1.1021 -0.0231 -0.1330 -0.0208 706 ASN A OD1 5335 N ND2 . ASN B 28 ? 0.6640 0.7516 1.0365 -0.0145 -0.1343 -0.0223 706 ASN A ND2 5336 N N . ASN B 29 ? 0.8438 0.8612 1.2553 -0.0342 -0.1249 -0.0392 707 ASN A N 5337 C CA . ASN B 29 ? 0.9052 0.9102 1.3299 -0.0417 -0.1238 -0.0349 707 ASN A CA 5338 C C . ASN B 29 ? 0.8959 0.9102 1.3259 -0.0421 -0.1279 -0.0198 707 ASN A C 5339 O O . ASN B 29 ? 0.9351 0.9406 1.3765 -0.0482 -0.1275 -0.0141 707 ASN A O 5340 C CB . ASN B 29 ? 0.9811 0.9609 1.4172 -0.0377 -0.1164 -0.0344 707 ASN A CB 5341 C CG . ASN B 29 ? 1.0277 0.9936 1.4576 -0.0384 -0.1098 -0.0505 707 ASN A CG 5342 O OD1 . ASN B 29 ? 1.0252 0.9933 1.4453 -0.0484 -0.1108 -0.0632 707 ASN A OD1 5343 N ND2 . ASN B 29 ? 1.0339 0.9858 1.4688 -0.0286 -0.1028 -0.0496 707 ASN A ND2 5344 N N . ASP B 30 ? 0.8457 0.8757 1.2663 -0.0363 -0.1308 -0.0134 708 ASP A N 5345 C CA . ASP B 30 ? 0.7906 0.8268 1.2125 -0.0371 -0.1331 0.0003 708 ASP A CA 5346 C C . ASP B 30 ? 0.8011 0.8565 1.2167 -0.0409 -0.1355 0.0011 708 ASP A C 5347 O O . ASP B 30 ? 0.8272 0.8859 1.2445 -0.0439 -0.1361 0.0111 708 ASP A O 5348 C CB . ASP B 30 ? 0.7282 0.7641 1.1428 -0.0287 -0.1328 0.0089 708 ASP A CB 5349 C CG . ASP B 30 ? 0.7258 0.7472 1.1484 -0.0236 -0.1302 0.0101 708 ASP A CG 5350 O OD1 . ASP B 30 ? 0.7233 0.7342 1.1594 -0.0259 -0.1296 0.0192 708 ASP A OD1 5351 O OD2 . ASP B 30 ? 0.7363 0.7577 1.1525 -0.0170 -0.1285 0.0031 708 ASP A OD2 5352 N N . GLU B 31 ? 0.7898 0.8588 1.1986 -0.0408 -0.1365 -0.0079 709 GLU A N 5353 C CA . GLU B 31 ? 0.7578 0.8484 1.1633 -0.0428 -0.1381 -0.0050 709 GLU A CA 5354 C C . GLU B 31 ? 0.7686 0.8706 1.1765 -0.0513 -0.1409 -0.0146 709 GLU A C 5355 O O . GLU B 31 ? 0.7877 0.8845 1.1916 -0.0520 -0.1411 -0.0255 709 GLU A O 5356 C CB . GLU B 31 ? 0.7148 0.8169 1.1074 -0.0324 -0.1364 -0.0017 709 GLU A CB 5357 C CG . GLU B 31 ? 0.7083 0.7982 1.0938 -0.0258 -0.1338 0.0063 709 GLU A CG 5358 C CD . GLU B 31 ? 0.7484 0.8467 1.1193 -0.0167 -0.1308 0.0089 709 GLU A CD 5359 O OE1 . GLU B 31 ? 0.7766 0.8894 1.1449 -0.0155 -0.1286 0.0128 709 GLU A OE1 5360 O OE2 . GLU B 31 ? 0.7795 0.8699 1.1420 -0.0106 -0.1300 0.0076 709 GLU A OE2 5361 N N . THR B 32 ? 0.7660 0.8841 1.1796 -0.0585 -0.1430 -0.0102 710 THR A N 5362 C CA . THR B 32 ? 0.8176 0.9509 1.2329 -0.0689 -0.1469 -0.0173 710 THR A CA 5363 C C . THR B 32 ? 0.7878 0.9433 1.1946 -0.0629 -0.1484 -0.0189 710 THR A C 5364 O O . THR B 32 ? 0.7801 0.9391 1.1803 -0.0503 -0.1455 -0.0137 710 THR A O 5365 C CB . THR B 32 ? 0.8736 1.0214 1.2991 -0.0785 -0.1489 -0.0100 710 THR A CB 5366 O OG1 . THR B 32 ? 0.8877 1.0560 1.3129 -0.0703 -0.1470 0.0016 710 THR A OG1 5367 C CG2 . THR B 32 ? 0.8760 1.0024 1.3101 -0.0837 -0.1473 -0.0065 710 THR A CG2 5368 N N . CYS B 33 ? 0.8006 0.9712 1.2068 -0.0732 -0.1530 -0.0256 711 CYS A N 5369 C CA . CYS B 33 ? 0.8200 1.0147 1.2194 -0.0689 -0.1553 -0.0256 711 CYS A CA 5370 C C . CYS B 33 ? 0.8445 1.0647 1.2490 -0.0603 -0.1538 -0.0109 711 CYS A C 5371 O O . CYS B 33 ? 0.8299 1.0593 1.2281 -0.0480 -0.1514 -0.0068 711 CYS A O 5372 C CB . CYS B 33 ? 0.8812 1.0894 1.2784 -0.0848 -0.1616 -0.0342 711 CYS A CB 5373 S SG . CYS B 33 ? 0.9315 1.1082 1.3171 -0.0940 -0.1605 -0.0540 711 CYS A SG 5374 N N . GLU B 34 ? 0.9480 1.1784 1.3637 -0.0660 -0.1539 -0.0024 712 GLU A N 5375 C CA . GLU B 34 ? 1.0799 1.3340 1.5012 -0.0573 -0.1503 0.0121 712 GLU A CA 5376 C C . GLU B 34 ? 1.0083 1.2453 1.4225 -0.0424 -0.1420 0.0178 712 GLU A C 5377 O O . GLU B 34 ? 1.0437 1.2938 1.4556 -0.0308 -0.1366 0.0266 712 GLU A O 5378 C CB . GLU B 34 ? 1.2453 1.5149 1.6807 -0.0678 -0.1518 0.0200 712 GLU A CB 5379 C CG . GLU B 34 ? 1.3835 1.6296 1.8223 -0.0708 -0.1487 0.0215 712 GLU A CG 5380 C CD . GLU B 34 ? 1.4586 1.7058 1.8976 -0.0593 -0.1402 0.0340 712 GLU A CD 5381 O OE1 . GLU B 34 ? 1.4940 1.7608 1.9324 -0.0488 -0.1357 0.0420 712 GLU A OE1 5382 O OE2 . GLU B 34 ? 1.4933 1.7210 1.9323 -0.0609 -0.1373 0.0362 712 GLU A OE2 5383 N N . GLN B 35 ? 0.8782 1.0857 1.2884 -0.0431 -0.1405 0.0135 713 GLN A N 5384 C CA . GLN B 35 ? 0.7579 0.9488 1.1587 -0.0320 -0.1337 0.0187 713 GLN A CA 5385 C C . GLN B 35 ? 0.6849 0.8725 1.0733 -0.0212 -0.1321 0.0149 713 GLN A C 5386 O O . GLN B 35 ? 0.6971 0.8827 1.0763 -0.0107 -0.1257 0.0212 713 GLN A O 5387 C CB . GLN B 35 ? 0.7229 0.8870 1.1242 -0.0369 -0.1340 0.0170 713 GLN A CB 5388 C CG . GLN B 35 ? 0.7112 0.8764 1.1228 -0.0457 -0.1339 0.0235 713 GLN A CG 5389 C CD . GLN B 35 ? 0.7382 0.8785 1.1525 -0.0513 -0.1352 0.0224 713 GLN A CD 5390 O OE1 . GLN B 35 ? 0.7625 0.8879 1.1768 -0.0522 -0.1376 0.0145 713 GLN A OE1 5391 N NE2 . GLN B 35 ? 0.7383 0.8745 1.1556 -0.0548 -0.1329 0.0314 713 GLN A NE2 5392 N N . ARG B 36 ? 0.6087 0.7938 0.9951 -0.0242 -0.1371 0.0043 714 ARG A N 5393 C CA . ARG B 36 ? 0.5813 0.7651 0.9563 -0.0146 -0.1359 0.0007 714 ARG A CA 5394 C C . ARG B 36 ? 0.6167 0.8278 0.9912 -0.0083 -0.1349 0.0068 714 ARG A C 5395 O O . ARG B 36 ? 0.6153 0.8259 0.9808 0.0035 -0.1296 0.0114 714 ARG A O 5396 C CB . ARG B 36 ? 0.5240 0.6978 0.8968 -0.0200 -0.1403 -0.0124 714 ARG A CB 5397 C CG . ARG B 36 ? 0.5414 0.6874 0.9161 -0.0231 -0.1395 -0.0164 714 ARG A CG 5398 C CD . ARG B 36 ? 0.5923 0.7280 0.9673 -0.0300 -0.1418 -0.0294 714 ARG A CD 5399 N NE . ARG B 36 ? 0.6343 0.7721 0.9987 -0.0237 -0.1415 -0.0359 714 ARG A NE 5400 C CZ . ARG B 36 ? 0.6358 0.7663 0.9964 -0.0287 -0.1421 -0.0480 714 ARG A CZ 5401 N NH1 . ARG B 36 ? 0.6375 0.7562 1.0034 -0.0402 -0.1425 -0.0555 714 ARG A NH1 5402 N NH2 . ARG B 36 ? 0.6465 0.7799 0.9966 -0.0227 -0.1415 -0.0529 714 ARG A NH2 5403 N N . ALA B 37 ? 0.6054 0.8411 0.9900 -0.0165 -0.1397 0.0081 715 ALA A N 5404 C CA . ALA B 37 ? 0.5764 0.8426 0.9643 -0.0107 -0.1390 0.0170 715 ALA A CA 5405 C C . ALA B 37 ? 0.5863 0.8583 0.9774 0.0001 -0.1297 0.0311 715 ALA A C 5406 O O . ALA B 37 ? 0.6329 0.9242 1.0250 0.0101 -0.1256 0.0403 715 ALA A O 5407 C CB . ALA B 37 ? 0.6009 0.8945 0.9999 -0.0244 -0.1472 0.0170 715 ALA A CB 5408 N N . ALA B 38 ? 0.5705 0.8256 0.9627 -0.0017 -0.1255 0.0336 716 ALA A N 5409 C CA . ALA B 38 ? 0.5490 0.8048 0.9405 0.0079 -0.1147 0.0456 716 ALA A CA 5410 C C . ALA B 38 ? 0.5423 0.7826 0.9174 0.0217 -0.1061 0.0471 716 ALA A C 5411 O O . ALA B 38 ? 0.5949 0.8382 0.9675 0.0317 -0.0952 0.0572 716 ALA A O 5412 C CB . ALA B 38 ? 0.5466 0.7849 0.9394 0.0012 -0.1124 0.0468 716 ALA A CB 5413 N N . ARG B 39 ? 0.5511 0.7742 0.9147 0.0223 -0.1099 0.0375 717 ARG A N 5414 C CA . ARG B 39 ? 0.5605 0.7682 0.9075 0.0336 -0.1028 0.0383 717 ARG A CA 5415 C C . ARG B 39 ? 0.6003 0.8261 0.9465 0.0421 -0.1031 0.0397 717 ARG A C 5416 O O . ARG B 39 ? 0.6639 0.8785 0.9967 0.0522 -0.0963 0.0416 717 ARG A O 5417 C CB . ARG B 39 ? 0.5378 0.7179 0.8734 0.0298 -0.1063 0.0291 717 ARG A CB 5418 C CG . ARG B 39 ? 0.5570 0.7156 0.8877 0.0247 -0.1031 0.0313 717 ARG A CG 5419 C CD . ARG B 39 ? 0.5791 0.7176 0.9057 0.0190 -0.1091 0.0241 717 ARG A CD 5420 N NE . ARG B 39 ? 0.6610 0.8040 1.0027 0.0095 -0.1174 0.0180 717 ARG A NE 5421 C CZ . ARG B 39 ? 0.7540 0.8853 1.0972 0.0059 -0.1226 0.0105 717 ARG A CZ 5422 N NH1 . ARG B 39 ? 0.7947 0.9129 1.1271 0.0109 -0.1215 0.0089 717 ARG A NH1 5423 N NH2 . ARG B 39 ? 0.8054 0.9379 1.1612 -0.0027 -0.1279 0.0049 717 ARG A NH2 5424 N N . ILE B 40 ? 0.5990 0.8522 0.9581 0.0371 -0.1110 0.0393 718 ILE A N 5425 C CA . ILE B 40 ? 0.6472 0.9199 1.0056 0.0433 -0.1129 0.0413 718 ILE A CA 5426 C C . ILE B 40 ? 0.6894 0.9788 1.0523 0.0567 -0.1026 0.0569 718 ILE A C 5427 O O . ILE B 40 ? 0.7358 1.0420 1.1122 0.0566 -0.0990 0.0669 718 ILE A O 5428 C CB . ILE B 40 ? 0.6518 0.9493 1.0206 0.0311 -0.1249 0.0366 718 ILE A CB 5429 C CG1 . ILE B 40 ? 0.6436 0.9196 1.0059 0.0198 -0.1322 0.0204 718 ILE A CG1 5430 C CG2 . ILE B 40 ? 0.6550 0.9778 1.0238 0.0366 -0.1273 0.0414 718 ILE A CG2 5431 C CD1 . ILE B 40 ? 0.6093 0.9032 0.9773 0.0054 -0.1425 0.0135 718 ILE A CD1 5432 N N . SER B 41 ? 0.6823 0.9673 1.0347 0.0686 -0.0968 0.0597 719 SER A N 5433 C CA . SER B 41 ? 0.7201 1.0165 1.0756 0.0835 -0.0845 0.0749 719 SER A CA 5434 C C . SER B 41 ? 0.7502 1.0744 1.1113 0.0896 -0.0881 0.0813 719 SER A C 5435 O O . SER B 41 ? 0.7794 1.1046 1.1376 0.1042 -0.0774 0.0917 719 SER A O 5436 C CB . SER B 41 ? 0.7332 0.9946 1.0690 0.0933 -0.0709 0.0748 719 SER A CB 5437 O OG . SER B 41 ? 0.7280 0.9733 1.0480 0.0951 -0.0737 0.0666 719 SER A OG 5438 N N . LEU B 42 ? 0.7341 1.0802 1.1021 0.0780 -0.1024 0.0757 720 LEU A N 5439 C CA . LEU B 42 ? 0.7024 1.0763 1.0739 0.0809 -0.1078 0.0812 720 LEU A CA 5440 C C . LEU B 42 ? 0.7626 1.1814 1.1555 0.0752 -0.1145 0.0938 720 LEU A C 5441 O O . LEU B 42 ? 0.8074 1.2543 1.2040 0.0734 -0.1219 0.0986 720 LEU A O 5442 C CB . LEU B 42 ? 0.6317 0.9953 0.9898 0.0714 -0.1185 0.0647 720 LEU A CB 5443 C CG . LEU B 42 ? 0.5865 0.9126 0.9246 0.0778 -0.1130 0.0549 720 LEU A CG 5444 C CD1 . LEU B 42 ? 0.5813 0.9041 0.9090 0.0703 -0.1224 0.0415 720 LEU A CD1 5445 C CD2 . LEU B 42 ? 0.5846 0.9055 0.9172 0.0954 -0.1002 0.0670 720 LEU A CD2 5446 N N . GLY B 43 ? 0.7764 1.2044 1.1833 0.0711 -0.1126 0.1000 721 GLY A N 5447 C CA . GLY B 43 ? 0.7903 1.2636 1.2195 0.0669 -0.1175 0.1154 721 GLY A CA 5448 C C . GLY B 43 ? 0.7666 1.2523 1.2022 0.0450 -0.1313 0.1071 721 GLY A C 5449 O O . GLY B 43 ? 0.8149 1.2730 1.2377 0.0333 -0.1370 0.0884 721 GLY A O 5450 N N . PRO B 44 ? 0.7519 1.2801 1.2082 0.0388 -0.1364 0.1219 722 PRO A N 5451 C CA . PRO B 44 ? 0.7414 1.2812 1.2038 0.0165 -0.1487 0.1152 722 PRO A CA 5452 C C . PRO B 44 ? 0.7553 1.2966 1.2046 -0.0022 -0.1636 0.0996 722 PRO A C 5453 O O . PRO B 44 ? 0.7515 1.2778 1.1951 -0.0197 -0.1705 0.0848 722 PRO A O 5454 C CB . PRO B 44 ? 0.7130 1.3022 1.2018 0.0164 -0.1494 0.1386 722 PRO A CB 5455 C CG . PRO B 44 ? 0.7128 1.3059 1.2100 0.0419 -0.1329 0.1568 722 PRO A CG 5456 C CD . PRO B 44 ? 0.7332 1.2988 1.2098 0.0527 -0.1293 0.1472 722 PRO A CD 5457 N N . ARG B 45 ? 0.7673 1.3256 1.2110 0.0005 -0.1678 0.1025 723 ARG A N 5458 C CA . ARG B 45 ? 0.8018 1.3610 1.2304 -0.0183 -0.1809 0.0872 723 ARG A CA 5459 C C . ARG B 45 ? 0.7706 1.2798 1.1777 -0.0198 -0.1786 0.0633 723 ARG A C 5460 O O . ARG B 45 ? 0.7955 1.2916 1.1922 -0.0384 -0.1861 0.0466 723 ARG A O 5461 C CB . ARG B 45 ? 0.8701 1.4589 1.2970 -0.0141 -0.1852 0.0971 723 ARG A CB 5462 C CG . ARG B 45 ? 0.9506 1.5960 1.3999 -0.0170 -0.1908 0.1217 723 ARG A CG 5463 C CD . ARG B 45 ? 1.0149 1.6902 1.4597 -0.0183 -0.1983 0.1294 723 ARG A CD 5464 N NE . ARG B 45 ? 1.0592 1.7255 1.4815 -0.0408 -0.2105 0.1088 723 ARG A NE 5465 C CZ . ARG B 45 ? 1.0606 1.7432 1.4711 -0.0458 -0.2177 0.1087 723 ARG A CZ 5466 N NH1 . ARG B 45 ? 1.0504 1.7604 1.4711 -0.0294 -0.2147 0.1293 723 ARG A NH1 5467 N NH2 . ARG B 45 ? 1.0640 1.7342 1.4518 -0.0673 -0.2269 0.0882 723 ARG A NH2 5468 N N . CYS B 46 ? 0.7292 1.2097 1.1292 -0.0009 -0.1675 0.0621 724 CYS A N 5469 C CA . CYS B 46 ? 0.7365 1.1722 1.1192 -0.0012 -0.1647 0.0426 724 CYS A CA 5470 C C . CYS B 46 ? 0.7258 1.1395 1.1119 -0.0104 -0.1641 0.0344 724 CYS A C 5471 O O . CYS B 46 ? 0.7421 1.1293 1.1177 -0.0205 -0.1670 0.0174 724 CYS A O 5472 C CB . CYS B 46 ? 0.7671 1.1804 1.1423 0.0197 -0.1533 0.0458 724 CYS A CB 5473 S SG . CYS B 46 ? 0.8256 1.1877 1.1826 0.0212 -0.1491 0.0266 724 CYS A SG 5474 N N . ILE B 47 ? 0.7057 1.1307 1.1073 -0.0069 -0.1597 0.0472 725 ILE A N 5475 C CA . ILE B 47 ? 0.7066 1.1130 1.1124 -0.0158 -0.1593 0.0413 725 ILE A CA 5476 C C . ILE B 47 ? 0.7075 1.1251 1.1153 -0.0388 -0.1707 0.0329 725 ILE A C 5477 O O . ILE B 47 ? 0.7140 1.1044 1.1166 -0.0493 -0.1721 0.0194 725 ILE A O 5478 C CB . ILE B 47 ? 0.7017 1.1189 1.1229 -0.0065 -0.1508 0.0578 725 ILE A CB 5479 C CG1 . ILE B 47 ? 0.7348 1.1272 1.1479 0.0133 -0.1376 0.0613 725 ILE A CG1 5480 C CG2 . ILE B 47 ? 0.6621 1.0701 1.0905 -0.0191 -0.1527 0.0541 725 ILE A CG2 5481 C CD1 . ILE B 47 ? 0.7508 1.1478 1.1750 0.0227 -0.1267 0.0759 725 ILE A CD1 5482 N N . LYS B 48 ? 0.7190 1.1760 1.1335 -0.0479 -0.1789 0.0411 726 LYS A N 5483 C CA . LYS B 48 ? 0.7453 1.2136 1.1590 -0.0727 -0.1900 0.0334 726 LYS A CA 5484 C C . LYS B 48 ? 0.7465 1.1913 1.1388 -0.0841 -0.1945 0.0126 726 LYS A C 5485 O O . LYS B 48 ? 0.7722 1.1986 1.1579 -0.1016 -0.1980 -0.0015 726 LYS A O 5486 C CB . LYS B 48 ? 0.7581 1.2790 1.1852 -0.0811 -0.1983 0.0502 726 LYS A CB 5487 C CG . LYS B 48 ? 0.7715 1.3054 1.1993 -0.1088 -0.2093 0.0447 726 LYS A CG 5488 C CD . LYS B 48 ? 0.7980 1.3804 1.2292 -0.1228 -0.2209 0.0556 726 LYS A CD 5489 C CE . LYS B 48 ? 0.8434 1.4349 1.2715 -0.1533 -0.2319 0.0484 726 LYS A CE 5490 N NZ . LYS B 48 ? 0.8487 1.4830 1.2732 -0.1722 -0.2450 0.0551 726 LYS A NZ 5491 N N . ALA B 49 ? 0.7060 1.1505 1.0870 -0.0746 -0.1935 0.0105 727 ALA A N 5492 C CA . ALA B 49 ? 0.6931 1.1120 1.0532 -0.0830 -0.1953 -0.0094 727 ALA A CA 5493 C C . ALA B 49 ? 0.7104 1.0818 1.0647 -0.0780 -0.1875 -0.0234 727 ALA A C 5494 O O . ALA B 49 ? 0.7436 1.0909 1.0878 -0.0920 -0.1886 -0.0397 727 ALA A O 5495 C CB . ALA B 49 ? 0.6799 1.1081 1.0303 -0.0716 -0.1948 -0.0070 727 ALA A CB 5496 N N . PHE B 50 ? 0.6777 1.0350 1.0379 -0.0586 -0.1791 -0.0162 728 PHE A N 5497 C CA . PHE B 50 ? 0.6476 0.9644 1.0047 -0.0536 -0.1723 -0.0256 728 PHE A CA 5498 C C . PHE B 50 ? 0.6294 0.9349 0.9935 -0.0682 -0.1741 -0.0305 728 PHE A C 5499 O O . PHE B 50 ? 0.6503 0.9248 1.0079 -0.0745 -0.1722 -0.0442 728 PHE A O 5500 C CB . PHE B 50 ? 0.6260 0.9356 0.9883 -0.0338 -0.1641 -0.0141 728 PHE A CB 5501 C CG . PHE B 50 ? 0.5760 0.8481 0.9357 -0.0291 -0.1581 -0.0207 728 PHE A CG 5502 C CD1 . PHE B 50 ? 0.5694 0.8303 0.9383 -0.0352 -0.1572 -0.0197 728 PHE A CD1 5503 C CD2 . PHE B 50 ? 0.5820 0.8323 0.9309 -0.0187 -0.1537 -0.0260 728 PHE A CD2 5504 C CE1 . PHE B 50 ? 0.6240 0.8535 0.9915 -0.0314 -0.1524 -0.0234 728 PHE A CE1 5505 C CE2 . PHE B 50 ? 0.5937 0.8136 0.9417 -0.0152 -0.1491 -0.0295 728 PHE A CE2 5506 C CZ . PHE B 50 ? 0.6332 0.8430 0.9907 -0.0215 -0.1486 -0.0278 728 PHE A CZ 5507 N N . THR B 51 ? 0.6142 0.9441 0.9924 -0.0730 -0.1768 -0.0185 729 THR A N 5508 C CA . THR B 51 ? 0.6547 0.9747 1.0402 -0.0869 -0.1783 -0.0217 729 THR A CA 5509 C C . THR B 51 ? 0.7344 1.0500 1.1102 -0.1091 -0.1848 -0.0362 729 THR A C 5510 O O . THR B 51 ? 0.7802 1.0659 1.1531 -0.1181 -0.1827 -0.0475 729 THR A O 5511 C CB . THR B 51 ? 0.6408 0.9917 1.0440 -0.0874 -0.1797 -0.0045 729 THR A CB 5512 O OG1 . THR B 51 ? 0.6657 1.0176 1.0745 -0.0667 -0.1715 0.0080 729 THR A OG1 5513 C CG2 . THR B 51 ? 0.6186 0.9572 1.0297 -0.1004 -0.1804 -0.0069 729 THR A CG2 5514 N N . GLU B 52 ? 0.7614 1.1054 1.1309 -0.1186 -0.1921 -0.0358 730 GLU A N 5515 C CA . GLU B 52 ? 0.7842 1.1231 1.1399 -0.1421 -0.1979 -0.0505 730 GLU A CA 5516 C C . GLU B 52 ? 0.7581 1.0535 1.0969 -0.1412 -0.1913 -0.0699 730 GLU A C 5517 O O . GLU B 52 ? 0.7477 1.0135 1.0820 -0.1531 -0.1885 -0.0824 730 GLU A O 5518 C CB . GLU B 52 ? 0.8537 1.2323 1.2035 -0.1518 -0.2070 -0.0454 730 GLU A CB 5519 C CG . GLU B 52 ? 0.9463 1.3694 1.3119 -0.1627 -0.2155 -0.0285 730 GLU A CG 5520 C CD . GLU B 52 ? 1.0409 1.5016 1.3982 -0.1790 -0.2264 -0.0253 730 GLU A CD 5521 O OE1 . GLU B 52 ? 1.0621 1.5125 1.3996 -0.1817 -0.2269 -0.0372 730 GLU A OE1 5522 O OE2 . GLU B 52 ? 1.0758 1.5778 1.4465 -0.1898 -0.2345 -0.0100 730 GLU A OE2 5523 N N . CYS B 53 ? 0.7375 1.0283 1.0679 -0.1264 -0.1878 -0.0719 731 CYS A N 5524 C CA . CYS B 53 ? 0.7837 1.0367 1.0990 -0.1250 -0.1810 -0.0891 731 CYS A CA 5525 C C . CYS B 53 ? 0.8291 1.0457 1.1528 -0.1160 -0.1725 -0.0918 731 CYS A C 5526 O O . CYS B 53 ? 0.8723 1.0551 1.1877 -0.1207 -0.1664 -0.1061 731 CYS A O 5527 C CB . CYS B 53 ? 0.7970 1.0560 1.1035 -0.1103 -0.1793 -0.0883 731 CYS A CB 5528 S SG . CYS B 53 ? 0.8687 1.1715 1.1648 -0.1221 -0.1897 -0.0842 731 CYS A SG 5529 N N . CYS B 54 ? 0.8098 1.0327 1.1497 -0.1037 -0.1713 -0.0776 732 CYS A N 5530 C CA . CYS B 54 ? 0.7918 0.9840 1.1401 -0.0972 -0.1646 -0.0778 732 CYS A CA 5531 C C . CYS B 54 ? 0.8311 1.0088 1.1828 -0.1150 -0.1652 -0.0844 732 CYS A C 5532 O O . CYS B 54 ? 0.8763 1.0198 1.2269 -0.1163 -0.1588 -0.0935 732 CYS A O 5533 C CB . CYS B 54 ? 0.7519 0.9555 1.1134 -0.0824 -0.1633 -0.0611 732 CYS A CB 5534 S SG . CYS B 54 ? 0.7495 0.9200 1.1210 -0.0758 -0.1566 -0.0585 732 CYS A SG 5535 N N . VAL B 55 ? 0.8170 1.0207 1.1739 -0.1287 -0.1723 -0.0787 733 VAL A N 5536 C CA . VAL B 55 ? 0.8718 1.0630 1.2319 -0.1470 -0.1732 -0.0839 733 VAL A CA 5537 C C . VAL B 55 ? 0.9387 1.1057 1.2808 -0.1634 -0.1712 -0.1033 733 VAL A C 5538 O O . VAL B 55 ? 0.9670 1.0994 1.3082 -0.1697 -0.1649 -0.1125 733 VAL A O 5539 C CB . VAL B 55 ? 0.8681 1.0970 1.2381 -0.1587 -0.1818 -0.0721 733 VAL A CB 5540 C CG1 . VAL B 55 ? 0.9311 1.1489 1.2994 -0.1825 -0.1842 -0.0801 733 VAL A CG1 5541 C CG2 . VAL B 55 ? 0.8029 1.0455 1.1911 -0.1434 -0.1802 -0.0544 733 VAL A CG2 5542 N N . VAL B 56 ? 0.9374 1.1210 1.2641 -0.1706 -0.1756 -0.1094 734 VAL A N 5543 C CA . VAL B 56 ? 0.9303 1.0901 1.2358 -0.1879 -0.1727 -0.1289 734 VAL A CA 5544 C C . VAL B 56 ? 0.9078 1.0252 1.2080 -0.1748 -0.1602 -0.1400 734 VAL A C 5545 O O . VAL B 56 ? 0.9322 1.0137 1.2233 -0.1852 -0.1524 -0.1543 734 VAL A O 5546 C CB . VAL B 56 ? 0.9332 1.1228 1.2223 -0.1985 -0.1807 -0.1316 734 VAL A CB 5547 C CG1 . VAL B 56 ? 0.9647 1.1275 1.2281 -0.2189 -0.1768 -0.1530 734 VAL A CG1 5548 C CG2 . VAL B 56 ? 0.9263 1.1620 1.2248 -0.2107 -0.1931 -0.1173 734 VAL A CG2 5549 N N . ALA B 57 ? 0.8746 0.9950 1.1804 -0.1521 -0.1573 -0.1329 735 ALA A N 5550 C CA . ALA B 57 ? 0.8462 0.9307 1.1501 -0.1388 -0.1458 -0.1404 735 ALA A CA 5551 C C . ALA B 57 ? 0.8750 0.9300 1.1937 -0.1357 -0.1389 -0.1382 735 ALA A C 5552 O O . ALA B 57 ? 0.8743 0.8934 1.1898 -0.1349 -0.1283 -0.1484 735 ALA A O 5553 C CB . ALA B 57 ? 0.7724 0.8694 1.0802 -0.1167 -0.1455 -0.1311 735 ALA A CB 5554 N N . SER B 58 ? 0.9105 0.9804 1.2460 -0.1335 -0.1440 -0.1240 736 SER A N 5555 C CA . SER B 58 ? 0.9625 1.0072 1.3123 -0.1318 -0.1384 -0.1203 736 SER A CA 5556 C C . SER B 58 ? 0.9997 1.0219 1.3437 -0.1525 -0.1355 -0.1321 736 SER A C 5557 O O . SER B 58 ? 1.0122 1.0003 1.3622 -0.1512 -0.1263 -0.1353 736 SER A O 5558 C CB . SER B 58 ? 0.9995 1.0665 1.3661 -0.1258 -0.1444 -0.1025 736 SER A CB 5559 O OG . SER B 58 ? 1.0573 1.1369 1.4277 -0.1066 -0.1447 -0.0921 736 SER A OG 5560 N N . GLN B 59 ? 1.0292 1.0698 1.3615 -0.1723 -0.1428 -0.1380 737 GLN A N 5561 C CA . GLN B 59 ? 1.1053 1.1227 1.4281 -0.1949 -0.1399 -0.1506 737 GLN A CA 5562 C C . GLN B 59 ? 1.1415 1.1215 1.4453 -0.1987 -0.1282 -0.1698 737 GLN A C 5563 O O . GLN B 59 ? 1.2935 1.2351 1.5948 -0.2065 -0.1181 -0.1791 737 GLN A O 5564 C CB . GLN B 59 ? 1.1470 1.1978 1.4619 -0.2171 -0.1520 -0.1503 737 GLN A CB 5565 C CG . GLN B 59 ? 1.1269 1.2116 1.4619 -0.2156 -0.1614 -0.1316 737 GLN A CG 5566 C CD . GLN B 59 ? 1.1487 1.2638 1.4783 -0.2402 -0.1724 -0.1305 737 GLN A CD 5567 O OE1 . GLN B 59 ? 1.2118 1.3116 1.5375 -0.2607 -0.1722 -0.1369 737 GLN A OE1 5568 N NE2 . GLN B 59 ? 1.1115 1.2704 1.4412 -0.2388 -0.1820 -0.1214 737 GLN A NE2 5569 N N . LEU B 60 ? 1.0559 1.0449 1.3459 -0.1927 -0.1281 -0.1755 738 LEU A N 5570 C CA . LEU B 60 ? 1.0383 0.9920 1.3089 -0.1958 -0.1156 -0.1939 738 LEU A CA 5571 C C . LEU B 60 ? 1.1119 1.0304 1.3958 -0.1753 -0.1012 -0.1925 738 LEU A C 5572 O O . LEU B 60 ? 1.1988 1.0770 1.4732 -0.1793 -0.0870 -0.2063 738 LEU A O 5573 C CB . LEU B 60 ? 0.9562 0.9313 1.2090 -0.1947 -0.1196 -0.1991 738 LEU A CB 5574 C CG . LEU B 60 ? 0.9557 0.9624 1.1910 -0.2182 -0.1323 -0.2027 738 LEU A CG 5575 C CD1 . LEU B 60 ? 0.9358 0.9594 1.1528 -0.2163 -0.1345 -0.2080 738 LEU A CD1 5576 C CD2 . LEU B 60 ? 1.0299 1.0111 1.2471 -0.2466 -0.1288 -0.2184 738 LEU A CD2 5577 N N . ARG B 61 ? 1.0804 1.0130 1.3858 -0.1539 -0.1039 -0.1755 739 ARG A N 5578 C CA . ARG B 61 ? 1.0666 0.9718 1.3869 -0.1348 -0.0921 -0.1707 739 ARG A CA 5579 C C . ARG B 61 ? 1.1070 0.9832 1.4417 -0.1382 -0.0849 -0.1679 739 ARG A C 5580 O O . ARG B 61 ? 1.0862 0.9456 1.4384 -0.1219 -0.0770 -0.1588 739 ARG A O 5581 C CB . ARG B 61 ? 1.0226 0.9532 1.3588 -0.1139 -0.0983 -0.1530 739 ARG A CB 5582 C CG . ARG B 61 ? 1.0263 0.9713 1.3517 -0.1033 -0.0990 -0.1554 739 ARG A CG 5583 C CD . ARG B 61 ? 1.0268 0.9876 1.3674 -0.0830 -0.1022 -0.1384 739 ARG A CD 5584 N NE . ARG B 61 ? 1.0313 1.0214 1.3803 -0.0837 -0.1139 -0.1250 739 ARG A NE 5585 C CZ . ARG B 61 ? 1.0394 1.0618 1.3815 -0.0833 -0.1230 -0.1211 739 ARG A CZ 5586 N NH1 . ARG B 61 ? 1.0782 1.1088 1.4047 -0.0830 -0.1232 -0.1293 739 ARG A NH1 5587 N NH2 . ARG B 61 ? 1.0045 1.0506 1.3554 -0.0829 -0.1310 -0.1083 739 ARG A NH2 5588 N N . ALA B 62 ? 1.1718 1.0423 1.5006 -0.1589 -0.0874 -0.1738 740 ALA A N 5589 C CA . ALA B 62 ? 1.2259 1.0666 1.5676 -0.1628 -0.0798 -0.1713 740 ALA A CA 5590 C C . ALA B 62 ? 1.3121 1.1047 1.6419 -0.1670 -0.0615 -0.1879 740 ALA A C 5591 O O . ALA B 62 ? 1.3583 1.1400 1.6626 -0.1847 -0.0586 -0.2061 740 ALA A O 5592 C CB . ALA B 62 ? 1.2182 1.0731 1.5586 -0.1838 -0.0900 -0.1700 740 ALA A CB 5593 N N . ASN B 63 ? 1.3322 1.0964 1.6803 -0.1511 -0.0486 -0.1810 741 ASN A N 5594 C CA . ASN B 63 ? 1.4436 1.1587 1.7851 -0.1513 -0.0279 -0.1940 741 ASN A CA 5595 C C . ASN B 63 ? 1.4647 1.1728 1.7827 -0.1506 -0.0204 -0.2105 741 ASN A C 5596 O O . ASN B 63 ? 1.5432 1.2206 1.8374 -0.1660 -0.0092 -0.2303 741 ASN A O 5597 C CB . ASN B 63 ? 1.5293 1.2144 1.8602 -0.1743 -0.0223 -0.2052 741 ASN A CB 5598 C CG . ASN B 63 ? 1.5341 1.2218 1.8890 -0.1745 -0.0274 -0.1887 741 ASN A CG 5599 O OD1 . ASN B 63 ? 1.5588 1.2170 1.9322 -0.1640 -0.0149 -0.1810 741 ASN A OD1 5600 N ND2 . ASN B 63 ? 1.5193 1.2428 1.8746 -0.1864 -0.0454 -0.1824 741 ASN A ND2 5601 N N . ILE B 64 ? 1.3986 1.1346 1.7219 -0.1336 -0.0264 -0.2025 742 ILE A N 5602 C CA . ILE B 64 ? 1.3769 1.1109 1.6795 -0.1314 -0.0205 -0.2159 742 ILE A CA 5603 C C . ILE B 64 ? 1.4020 1.0997 1.7129 -0.1142 0.0008 -0.2175 742 ILE A C 5604 O O . ILE B 64 ? 1.3969 1.0764 1.7325 -0.1021 0.0092 -0.2052 742 ILE A O 5605 C CB . ILE B 64 ? 1.2667 1.0468 1.5700 -0.1217 -0.0362 -0.2066 742 ILE A CB 5606 C CG1 . ILE B 64 ? 1.2192 1.0232 1.5513 -0.1050 -0.0456 -0.1831 742 ILE A CG1 5607 C CG2 . ILE B 64 ? 1.1944 1.0038 1.4761 -0.1420 -0.0512 -0.2144 742 ILE A CG2 5608 C CD1 . ILE B 64 ? 1.2079 0.9965 1.5615 -0.0824 -0.0343 -0.1716 742 ILE A CD1 5609 N N . SER B 65 ? 1.4231 1.1113 1.7143 -0.1128 0.0100 -0.2314 743 SER A N 5610 C CA . SER B 65 ? 1.4480 1.1110 1.7483 -0.0933 0.0292 -0.2307 743 SER A CA 5611 C C . SER B 65 ? 1.4554 1.1528 1.7604 -0.0768 0.0209 -0.2215 743 SER A C 5612 O O . SER B 65 ? 1.4466 1.1791 1.7386 -0.0838 0.0041 -0.2225 743 SER A O 5613 C CB . SER B 65 ? 1.4766 1.0965 1.7490 -0.1043 0.0499 -0.2548 743 SER A CB 5614 O OG . SER B 65 ? 1.4599 1.0970 1.7013 -0.1169 0.0429 -0.2698 743 SER A OG 5615 N N . HIS B 66 ? 1.5011 1.1889 1.8260 -0.0548 0.0331 -0.2112 744 HIS A N 5616 C CA . HIS B 66 ? 1.5560 1.2744 1.8862 -0.0392 0.0261 -0.2015 744 HIS A CA 5617 C C . HIS B 66 ? 1.5290 1.2533 1.8278 -0.0475 0.0263 -0.2196 744 HIS A C 5618 O O . HIS B 66 ? 1.5248 1.2847 1.8184 -0.0449 0.0118 -0.2149 744 HIS A O 5619 C CB . HIS B 66 ? 1.6453 1.3504 2.0020 -0.0161 0.0410 -0.1875 744 HIS A CB 5620 C CG . HIS B 66 ? 1.7415 1.4521 2.1310 -0.0064 0.0366 -0.1647 744 HIS A CG 5621 N ND1 . HIS B 66 ? 1.7405 1.4823 2.1506 0.0077 0.0252 -0.1431 744 HIS A ND1 5622 C CD2 . HIS B 66 ? 1.7925 1.4814 2.1963 -0.0101 0.0418 -0.1598 744 HIS A CD2 5623 C CE1 . HIS B 66 ? 1.7433 1.4835 2.1785 0.0118 0.0232 -0.1258 744 HIS A CE1 5624 N NE2 . HIS B 66 ? 1.7759 1.4848 2.2089 0.0019 0.0331 -0.1350 744 HIS A NE2 5625 N N . LYS B 67 ? 1.5069 1.1958 1.7830 -0.0586 0.0430 -0.2404 745 LYS A N 5626 C CA . LYS B 67 ? 1.4247 1.1187 1.6678 -0.0695 0.0430 -0.2584 745 LYS A CA 5627 C C . LYS B 67 ? 1.4058 1.1311 1.6296 -0.0904 0.0213 -0.2630 745 LYS A C 5628 O O . LYS B 67 ? 1.3836 1.1374 1.5919 -0.0931 0.0109 -0.2656 745 LYS A O 5629 C CB . LYS B 67 ? 1.3785 1.0238 1.5988 -0.0786 0.0671 -0.2804 745 LYS A CB 5630 C CG . LYS B 67 ? 1.3335 0.9810 1.5178 -0.0899 0.0694 -0.2993 745 LYS A CG 5631 C CD . LYS B 67 ? 1.3485 0.9433 1.5078 -0.0998 0.0957 -0.3220 745 LYS A CD 5632 C CE . LYS B 67 ? 1.3333 0.9305 1.4543 -0.1126 0.0980 -0.3409 745 LYS A CE 5633 N NZ . LYS B 67 ? 1.3868 0.9290 1.4800 -0.1225 0.1260 -0.3642 745 LYS A NZ 5634 N N . ASP B 68 ? 1.4197 1.1418 1.6456 -0.1052 0.0144 -0.2628 746 ASP A N 5635 C CA . ASP B 68 ? 1.4224 1.1778 1.6340 -0.1246 -0.0063 -0.2643 746 ASP A CA 5636 C C . ASP B 68 ? 1.3826 1.1854 1.6128 -0.1115 -0.0254 -0.2441 746 ASP A C 5637 O O . ASP B 68 ? 1.3484 1.1846 1.5650 -0.1187 -0.0394 -0.2444 746 ASP A O 5638 C CB . ASP B 68 ? 1.4542 1.1949 1.6658 -0.1431 -0.0083 -0.2674 746 ASP A CB 5639 C CG . ASP B 68 ? 1.5362 1.2333 1.7189 -0.1638 0.0077 -0.2909 746 ASP A CG 5640 O OD1 . ASP B 68 ? 1.5569 1.2107 1.7474 -0.1588 0.0267 -0.2945 746 ASP A OD1 5641 O OD2 . ASP B 68 ? 1.5723 1.2779 1.7239 -0.1857 0.0018 -0.3054 746 ASP A OD2 5642 N N . MET B 69 ? 1.4150 1.2207 1.6755 -0.0929 -0.0257 -0.2259 747 MET A N 5643 C CA . MET B 69 ? 1.4288 1.2742 1.7047 -0.0802 -0.0414 -0.2073 747 MET A CA 5644 C C . MET B 69 ? 1.4156 1.2781 1.6820 -0.0698 -0.0422 -0.2079 747 MET A C 5645 O O . MET B 69 ? 1.3702 1.2674 1.6306 -0.0710 -0.0565 -0.2029 747 MET A O 5646 C CB . MET B 69 ? 1.4563 1.2969 1.7632 -0.0634 -0.0393 -0.1888 747 MET A CB 5647 C CG . MET B 69 ? 1.4612 1.3154 1.7815 -0.0699 -0.0512 -0.1775 747 MET A CG 5648 S SD . MET B 69 ? 1.4121 1.3129 1.7418 -0.0608 -0.0700 -0.1587 747 MET A SD 5649 C CE . MET B 69 ? 1.3937 1.2894 1.7444 -0.0368 -0.0633 -0.1431 747 MET A CE 5650 N N . GLN B 70 ? 1.4627 1.3011 1.7284 -0.0591 -0.0261 -0.2134 748 GLN A N 5651 C CA . GLN B 70 ? 1.5104 1.3639 1.7684 -0.0485 -0.0259 -0.2132 748 GLN A CA 5652 C C . GLN B 70 ? 1.4747 1.3403 1.7014 -0.0648 -0.0310 -0.2287 748 GLN A C 5653 O O . GLN B 70 ? 1.4628 1.3579 1.6831 -0.0606 -0.0408 -0.2240 748 GLN A O 5654 C CB . GLN B 70 ? 1.6264 1.4511 1.8923 -0.0337 -0.0060 -0.2150 748 GLN A CB 5655 C CG . GLN B 70 ? 1.6994 1.5229 1.9988 -0.0148 -0.0036 -0.1946 748 GLN A CG 5656 C CD . GLN B 70 ? 1.7834 1.5737 2.0945 -0.0024 0.0185 -0.1955 748 GLN A CD 5657 O OE1 . GLN B 70 ? 1.8691 1.6294 2.1635 -0.0092 0.0344 -0.2132 748 GLN A OE1 5658 N NE2 . GLN B 70 ? 1.7687 1.5644 2.1086 0.0153 0.0202 -0.1757 748 GLN A NE2 5659 N N . LEU B 71 ? 1.4535 1.2966 1.6593 -0.0846 -0.0247 -0.2465 749 LEU A N 5660 C CA . LEU B 71 ? 1.3771 1.2338 1.5515 -0.1036 -0.0311 -0.2603 749 LEU A CA 5661 C C . LEU B 71 ? 1.4029 1.3028 1.5787 -0.1123 -0.0533 -0.2499 749 LEU A C 5662 O O . LEU B 71 ? 1.3784 1.3069 1.5391 -0.1172 -0.0631 -0.2504 749 LEU A O 5663 C CB . LEU B 71 ? 1.2977 1.1184 1.4477 -0.1255 -0.0190 -0.2818 749 LEU A CB 5664 C CG . LEU B 71 ? 1.1860 0.9645 1.3230 -0.1211 0.0051 -0.2971 749 LEU A CG 5665 C CD1 . LEU B 71 ? 1.1505 0.8887 1.2627 -0.1444 0.0178 -0.3181 749 LEU A CD1 5666 C CD2 . LEU B 71 ? 1.1330 0.9266 1.2511 -0.1177 0.0056 -0.3025 749 LEU A CD2 5667 N N . GLY B 72 ? 1.4568 1.3625 1.6514 -0.1137 -0.0608 -0.2394 750 GLY A N 5668 C CA . GLY B 72 ? 1.4817 1.4287 1.6817 -0.1186 -0.0800 -0.2269 750 GLY A CA 5669 C C . GLY B 72 ? 1.4873 1.4647 1.6993 -0.0991 -0.0878 -0.2110 750 GLY A C 5670 O O . GLY B 72 ? 1.4956 1.5072 1.7004 -0.1028 -0.1001 -0.2060 750 GLY A O 5671 N N . ARG B 73 ? 1.5138 1.4790 1.7443 -0.0785 -0.0806 -0.2022 751 ARG A N 5672 C CA . ARG B 73 ? 1.4961 1.4850 1.7345 -0.0611 -0.0861 -0.1888 751 ARG A CA 5673 C C . ARG B 73 ? 1.4672 1.4637 1.6855 -0.0606 -0.0842 -0.1969 751 ARG A C 5674 O O . ARG B 73 ? 1.4332 1.4561 1.6519 -0.0517 -0.0920 -0.1872 751 ARG A O 5675 C CB . ARG B 73 ? 1.5195 1.4928 1.7800 -0.0421 -0.0785 -0.1779 751 ARG A CB 5676 C CG . ARG B 73 ? 1.5435 1.5096 1.8243 -0.0418 -0.0803 -0.1680 751 ARG A CG 5677 C CD . ARG B 73 ? 1.5585 1.5182 1.8608 -0.0236 -0.0762 -0.1534 751 ARG A CD 5678 N NE . ARG B 73 ? 1.5691 1.5551 1.8801 -0.0166 -0.0879 -0.1372 751 ARG A NE 5679 C CZ . ARG B 73 ? 1.5784 1.5682 1.9034 -0.0175 -0.0933 -0.1262 751 ARG A CZ 5680 N NH1 . ARG B 73 ? 1.6088 1.5792 1.9425 -0.0247 -0.0889 -0.1289 751 ARG A NH1 5681 N NH2 . ARG B 73 ? 1.5303 1.5417 1.8599 -0.0114 -0.1020 -0.1127 751 ARG A NH2 5682 N N . LEU B 74 ? 1.4890 1.4615 1.6886 -0.0703 -0.0731 -0.2147 752 LEU A N 5683 C CA . LEU B 74 ? 1.5246 1.5056 1.7017 -0.0731 -0.0719 -0.2235 752 LEU A CA 5684 C C . LEU B 74 ? 1.5366 1.5497 1.6969 -0.0903 -0.0866 -0.2245 752 LEU A C 5685 O O . LEU B 74 ? 1.5386 1.5784 1.6917 -0.0863 -0.0938 -0.2191 752 LEU A O 5686 C CB . LEU B 74 ? 1.5823 1.5260 1.7422 -0.0795 -0.0540 -0.2428 752 LEU A CB 5687 C CG . LEU B 74 ? 1.5698 1.4857 1.7446 -0.0603 -0.0371 -0.2411 752 LEU A CG 5688 C CD1 . LEU B 74 ? 1.6271 1.5038 1.7831 -0.0687 -0.0177 -0.2614 752 LEU A CD1 5689 C CD2 . LEU B 74 ? 1.5054 1.4413 1.6855 -0.0426 -0.0394 -0.2307 752 LEU A CD2 5690 N N . HIS B 75 ? 1.5632 1.5751 1.7178 -0.1098 -0.0913 -0.2301 753 HIS A N 5691 C CA . HIS B 75 ? 1.5162 1.5625 1.6575 -0.1274 -0.1063 -0.2285 753 HIS A CA 5692 C C . HIS B 75 ? 1.3983 1.4842 1.5583 -0.1150 -0.1202 -0.2071 753 HIS A C 5693 O O . HIS B 75 ? 1.3720 1.4898 1.5239 -0.1164 -0.1293 -0.2012 753 HIS A O 5694 C CB . HIS B 75 ? 1.5862 1.6236 1.7206 -0.1509 -0.1087 -0.2368 753 HIS A CB 5695 C CG . HIS B 75 ? 1.7012 1.7082 1.8059 -0.1712 -0.0982 -0.2595 753 HIS A CG 5696 N ND1 . HIS B 75 ? 1.7512 1.7506 1.8329 -0.1722 -0.0907 -0.2710 753 HIS A ND1 5697 C CD2 . HIS B 75 ? 1.7732 1.7535 1.8653 -0.1921 -0.0928 -0.2733 753 HIS A CD2 5698 C CE1 . HIS B 75 ? 1.8212 1.7895 1.8764 -0.1930 -0.0806 -0.2915 753 HIS A CE1 5699 N NE2 . HIS B 75 ? 1.8333 1.7887 1.8939 -0.2056 -0.0816 -0.2934 753 HIS A NE2 5700 N N . MET B 76 ? 1.3144 1.3979 1.4993 -0.1028 -0.1210 -0.1949 754 MET A N 5701 C CA . MET B 76 ? 1.1927 1.3095 1.3940 -0.0914 -0.1318 -0.1753 754 MET A CA 5702 C C . MET B 76 ? 1.1658 1.2901 1.3691 -0.0716 -0.1300 -0.1675 754 MET A C 5703 O O . MET B 76 ? 1.0951 1.2506 1.2980 -0.0674 -0.1384 -0.1566 754 MET A O 5704 C CB . MET B 76 ? 1.1070 1.2162 1.3312 -0.0852 -0.1319 -0.1656 754 MET A CB 5705 C CG . MET B 76 ? 1.1178 1.2215 1.3421 -0.1044 -0.1345 -0.1711 754 MET A CG 5706 S SD . MET B 76 ? 1.1255 1.2755 1.3476 -0.1202 -0.1507 -0.1619 754 MET A SD 5707 C CE . MET B 76 ? 1.0803 1.2556 1.3267 -0.0983 -0.1558 -0.1384 754 MET A CE 5708 N N . LYS B 77 ? 1.2714 1.3680 1.4775 -0.0596 -0.1187 -0.1720 755 LYS A N 5709 C CA . LYS B 77 ? 1.4140 1.5152 1.6259 -0.0402 -0.1167 -0.1625 755 LYS A CA 5710 C C . LYS B 77 ? 1.6105 1.7271 1.8044 -0.0402 -0.1181 -0.1659 755 LYS A C 5711 O O . LYS B 77 ? 1.6082 1.7327 1.8053 -0.0255 -0.1180 -0.1569 755 LYS A O 5712 C CB . LYS B 77 ? 1.3998 1.4692 1.6218 -0.0289 -0.1044 -0.1649 755 LYS A CB 5713 C CG . LYS B 77 ? 1.3406 1.4142 1.5754 -0.0099 -0.1041 -0.1506 755 LYS A CG 5714 C CD . LYS B 77 ? 1.3209 1.3685 1.5724 -0.0010 -0.0950 -0.1477 755 LYS A CD 5715 C CE . LYS B 77 ? 1.3311 1.3724 1.5969 -0.0063 -0.0976 -0.1433 755 LYS A CE 5716 N NZ . LYS B 77 ? 1.3469 1.3660 1.6308 0.0025 -0.0897 -0.1375 755 LYS A NZ 5717 N N . THR B 78 ? 1.8088 1.9300 1.9827 -0.0574 -0.1197 -0.1781 756 THR A N 5718 C CA . THR B 78 ? 1.8473 1.9833 2.0023 -0.0592 -0.1210 -0.1815 756 THR A CA 5719 C C . THR B 78 ? 1.8394 2.0145 1.9883 -0.0690 -0.1350 -0.1730 756 THR A C 5720 O O . THR B 78 ? 1.8857 2.0836 2.0325 -0.0605 -0.1396 -0.1633 756 THR A O 5721 C CB . THR B 78 ? 1.8882 1.9989 2.0211 -0.0718 -0.1106 -0.2022 756 THR A CB 5722 O OG1 . THR B 78 ? 1.9099 1.9854 2.0516 -0.0604 -0.0961 -0.2078 756 THR A OG1 5723 C CG2 . THR B 78 ? 1.9057 2.0311 2.0177 -0.0739 -0.1114 -0.2058 756 THR A CG2 5724 N N . LEU B 79 ? 1.6916 1.8761 1.8388 -0.0867 -0.1418 -0.1751 757 LEU A N 5725 C CA . LEU B 79 ? 1.5635 1.7876 1.7041 -0.0988 -0.1549 -0.1670 757 LEU A CA 5726 C C . LEU B 79 ? 1.4288 1.6830 1.5909 -0.0844 -0.1630 -0.1446 757 LEU A C 5727 O O . LEU B 79 ? 1.4086 1.6963 1.5685 -0.0837 -0.1709 -0.1331 757 LEU A O 5728 C CB . LEU B 79 ? 1.5797 1.8055 1.7111 -0.1244 -0.1598 -0.1758 757 LEU A CB 5729 C CG . LEU B 79 ? 1.6248 1.8168 1.7316 -0.1415 -0.1503 -0.1995 757 LEU A CG 5730 C CD1 . LEU B 79 ? 1.6484 1.8466 1.7431 -0.1698 -0.1572 -0.2065 757 LEU A CD1 5731 C CD2 . LEU B 79 ? 1.6465 1.8390 1.7299 -0.1429 -0.1466 -0.2078 757 LEU A CD2 5732 N N . LEU B 80 ? 1.3174 1.5595 1.4999 -0.0727 -0.1601 -0.1376 758 LEU A N 5733 C CA . LEU B 80 ? 1.1900 1.4579 1.3912 -0.0611 -0.1660 -0.1174 758 LEU A CA 5734 C C . LEU B 80 ? 1.1655 1.4323 1.3717 -0.0389 -0.1618 -0.1073 758 LEU A C 5735 O O . LEU B 80 ? 1.1895 1.4844 1.3989 -0.0320 -0.1667 -0.0930 758 LEU A O 5736 C CB . LEU B 80 ? 1.0976 1.3553 1.3162 -0.0616 -0.1655 -0.1140 758 LEU A CB 5737 C CG . LEU B 80 ? 1.0262 1.2858 1.2416 -0.0841 -0.1701 -0.1220 758 LEU A CG 5738 C CD1 . LEU B 80 ? 0.9911 1.2478 1.2263 -0.0825 -0.1707 -0.1141 758 LEU A CD1 5739 C CD2 . LEU B 80 ? 1.0006 1.2988 1.2077 -0.0991 -0.1811 -0.1167 758 LEU A CD2 5740 N N . PRO B 81 ? 1.1217 1.3576 1.3291 -0.0275 -0.1526 -0.1130 759 PRO A N 5741 C CA . PRO B 81 ? 1.0916 1.3274 1.3022 -0.0087 -0.1493 -0.1028 759 PRO A CA 5742 C C . PRO B 81 ? 1.1390 1.3880 1.3344 -0.0071 -0.1502 -0.1037 759 PRO A C 5743 O O . PRO B 81 ? 1.1629 1.4201 1.3439 -0.0211 -0.1531 -0.1131 759 PRO A O 5744 C CB . PRO B 81 ? 1.0590 1.2605 1.2744 -0.0010 -0.1403 -0.1092 759 PRO A CB 5745 C CG . PRO B 81 ? 1.0826 1.2687 1.3036 -0.0125 -0.1392 -0.1179 759 PRO A CG 5746 C CD . PRO B 81 ? 1.1293 1.3304 1.3377 -0.0306 -0.1446 -0.1263 759 PRO A CD 5747 N N . VAL B 82 ? 1.1599 1.4101 1.3567 0.0086 -0.1476 -0.0940 760 VAL A N 5748 C CA . VAL B 82 ? 1.2163 1.4786 1.3996 0.0116 -0.1481 -0.0932 760 VAL A CA 5749 C C . VAL B 82 ? 1.2725 1.5087 1.4496 0.0188 -0.1394 -0.1018 760 VAL A C 5750 O O . VAL B 82 ? 1.3164 1.5375 1.4839 0.0106 -0.1351 -0.1169 760 VAL A O 5751 C CB . VAL B 82 ? 1.2018 1.4868 1.3904 0.0235 -0.1511 -0.0745 760 VAL A CB 5752 C CG1 . VAL B 82 ? 1.2152 1.5180 1.3899 0.0238 -0.1533 -0.0726 760 VAL A CG1 5753 C CG2 . VAL B 82 ? 1.1861 1.4949 1.3869 0.0194 -0.1575 -0.0634 760 VAL A CG2 5754 N N . SER B 83 ? 1.2900 1.5201 1.4720 0.0337 -0.1360 -0.0921 761 SER A N 5755 C CA . SER B 83 ? 1.3358 1.5450 1.5141 0.0412 -0.1285 -0.0969 761 SER A CA 5756 C C . SER B 83 ? 1.3474 1.5502 1.5336 0.0548 -0.1265 -0.0837 761 SER A C 5757 O O . SER B 83 ? 1.3869 1.6016 1.5778 0.0591 -0.1298 -0.0717 761 SER A O 5758 C CB . SER B 83 ? 1.3572 1.5745 1.5190 0.0397 -0.1274 -0.1021 761 SER A CB 5759 O OG . SER B 83 ? 1.3696 1.6130 1.5270 0.0425 -0.1334 -0.0905 761 SER A OG 5760 N N . LYS B 84 ? 1.3129 1.4967 1.5001 0.0608 -0.1204 -0.0856 762 LYS A N 5761 C CA . LYS B 84 ? 1.2882 1.4636 1.4801 0.0708 -0.1186 -0.0740 762 LYS A CA 5762 C C . LYS B 84 ? 1.2079 1.3738 1.3946 0.0764 -0.1135 -0.0747 762 LYS A C 5763 O O . LYS B 84 ? 1.2399 1.3937 1.4296 0.0746 -0.1088 -0.0831 762 LYS A O 5764 C CB . LYS B 84 ? 1.3570 1.5178 1.5624 0.0699 -0.1178 -0.0717 762 LYS A CB 5765 C CG . LYS B 84 ? 1.4068 1.5589 1.6143 0.0772 -0.1165 -0.0596 762 LYS A CG 5766 C CD . LYS B 84 ? 1.4342 1.5761 1.6536 0.0745 -0.1171 -0.0564 762 LYS A CD 5767 C CE . LYS B 84 ? 1.4540 1.5858 1.6718 0.0791 -0.1155 -0.0450 762 LYS A CE 5768 N NZ . LYS B 84 ? 1.4682 1.5892 1.6843 0.0816 -0.1127 -0.0436 762 LYS A NZ 5769 N N . PRO B 85 ? 1.0852 1.2559 1.2644 0.0834 -0.1134 -0.0655 763 PRO A N 5770 C CA . PRO B 85 ? 1.0221 1.1859 1.1960 0.0879 -0.1090 -0.0653 763 PRO A CA 5771 C C . PRO B 85 ? 0.9346 1.0810 1.1182 0.0901 -0.1059 -0.0611 763 PRO A C 5772 O O . PRO B 85 ? 0.9037 1.0444 1.0893 0.0920 -0.1072 -0.0515 763 PRO A O 5773 C CB . PRO B 85 ? 1.0406 1.2141 1.2037 0.0937 -0.1104 -0.0551 763 PRO A CB 5774 C CG . PRO B 85 ? 1.0405 1.2174 1.2073 0.0949 -0.1132 -0.0468 763 PRO A CG 5775 C CD . PRO B 85 ? 1.0503 1.2324 1.2257 0.0877 -0.1163 -0.0542 763 PRO A CD 5776 N N . GLU B 86 ? 0.8569 0.9952 1.0464 0.0895 -0.1012 -0.0676 764 GLU A N 5777 C CA . GLU B 86 ? 0.7984 0.9238 0.9999 0.0914 -0.0984 -0.0616 764 GLU A CA 5778 C C . GLU B 86 ? 0.6872 0.8090 0.8921 0.0938 -0.0915 -0.0661 764 GLU A C 5779 O O . GLU B 86 ? 0.6884 0.8136 0.8867 0.0927 -0.0879 -0.0768 764 GLU A O 5780 C CB . GLU B 86 ? 0.8473 0.9642 1.0626 0.0876 -0.0995 -0.0623 764 GLU A CB 5781 C CG . GLU B 86 ? 0.9481 1.0624 1.1676 0.0829 -0.0968 -0.0754 764 GLU A CG 5782 C CD . GLU B 86 ? 1.0248 1.1317 1.2565 0.0785 -0.0988 -0.0751 764 GLU A CD 5783 O OE1 . GLU B 86 ? 1.0002 1.1084 1.2337 0.0785 -0.1036 -0.0658 764 GLU A OE1 5784 O OE2 . GLU B 86 ? 1.1108 1.2091 1.3493 0.0749 -0.0948 -0.0843 764 GLU A OE2 5785 N N . ILE B 87 ? 0.6210 0.7367 0.8361 0.0965 -0.0894 -0.0570 765 ILE A N 5786 C CA . ILE B 87 ? 0.6644 0.7786 0.8857 0.1004 -0.0821 -0.0572 765 ILE A CA 5787 C C . ILE B 87 ? 0.7406 0.8465 0.9830 0.1014 -0.0792 -0.0498 765 ILE A C 5788 O O . ILE B 87 ? 0.7165 0.8203 0.9644 0.0989 -0.0847 -0.0396 765 ILE A O 5789 C CB . ILE B 87 ? 0.7099 0.8316 0.9209 0.1033 -0.0829 -0.0491 765 ILE A CB 5790 C CG1 . ILE B 87 ? 0.7847 0.9074 1.0026 0.1076 -0.0745 -0.0493 765 ILE A CG1 5791 C CG2 . ILE B 87 ? 0.6757 0.7955 0.8873 0.1016 -0.0885 -0.0346 765 ILE A CG2 5792 C CD1 . ILE B 87 ? 0.8379 0.9604 1.0498 0.1084 -0.0672 -0.0646 765 ILE A CD1 5793 N N . ARG B 88 ? 0.8060 0.9068 1.0599 0.1048 -0.0698 -0.0546 766 ARG A N 5794 C CA . ARG B 88 ? 0.8436 0.9377 1.1207 0.1072 -0.0656 -0.0462 766 ARG A CA 5795 C C . ARG B 88 ? 0.9326 1.0340 1.2201 0.1116 -0.0631 -0.0319 766 ARG A C 5796 O O . ARG B 88 ? 0.9398 1.0404 1.2478 0.1130 -0.0619 -0.0196 766 ARG A O 5797 C CB . ARG B 88 ? 0.8680 0.9499 1.1541 0.1092 -0.0544 -0.0583 766 ARG A CB 5798 C CG . ARG B 88 ? 0.8705 0.9452 1.1469 0.1027 -0.0568 -0.0725 766 ARG A CG 5799 C CD . ARG B 88 ? 0.8524 0.9223 1.1409 0.0991 -0.0628 -0.0658 766 ARG A CD 5800 N NE . ARG B 88 ? 0.8837 0.9539 1.1597 0.0918 -0.0693 -0.0752 766 ARG A NE 5801 C CZ . ARG B 88 ? 0.9390 1.0042 1.2229 0.0874 -0.0736 -0.0733 766 ARG A CZ 5802 N NH1 . ARG B 88 ? 1.0120 1.0707 1.3154 0.0894 -0.0722 -0.0626 766 ARG A NH1 5803 N NH2 . ARG B 88 ? 0.9131 0.9816 1.1861 0.0808 -0.0794 -0.0809 766 ARG A NH2 5804 N N . SER B 89 ? 1.0150 1.1249 1.2898 0.1134 -0.0625 -0.0318 767 SER A N 5805 C CA . SER B 89 ? 1.0582 1.1770 1.3421 0.1167 -0.0602 -0.0181 767 SER A CA 5806 C C . SER B 89 ? 1.0336 1.1601 1.3019 0.1117 -0.0701 -0.0087 767 SER A C 5807 O O . SER B 89 ? 1.0954 1.2214 1.3430 0.1091 -0.0749 -0.0157 767 SER A O 5808 C CB . SER B 89 ? 1.1008 1.2220 1.3839 0.1231 -0.0488 -0.0254 767 SER A CB 5809 O OG . SER B 89 ? 1.1802 1.2903 1.4763 0.1276 -0.0371 -0.0343 767 SER A OG 5810 N N . TYR B 90 ? 0.9211 1.0546 1.1994 0.1100 -0.0726 0.0081 768 TYR A N 5811 C CA . TYR B 90 ? 0.8106 0.9492 1.0733 0.1039 -0.0803 0.0178 768 TYR A CA 5812 C C . TYR B 90 ? 0.7878 0.9367 1.0482 0.1073 -0.0756 0.0212 768 TYR A C 5813 O O . TYR B 90 ? 0.8480 1.0030 1.1267 0.1134 -0.0674 0.0240 768 TYR A O 5814 C CB . TYR B 90 ? 0.8086 0.9488 1.0802 0.0963 -0.0873 0.0349 768 TYR A CB 5815 C CG . TYR B 90 ? 0.8833 1.0255 1.1364 0.0876 -0.0944 0.0449 768 TYR A CG 5816 C CD1 . TYR B 90 ? 0.9726 1.1041 1.2021 0.0820 -0.0997 0.0406 768 TYR A CD1 5817 C CD2 . TYR B 90 ? 0.8990 1.0531 1.1580 0.0845 -0.0950 0.0592 768 TYR A CD2 5818 C CE1 . TYR B 90 ? 1.0268 1.1555 1.2366 0.0734 -0.1043 0.0489 768 TYR A CE1 5819 C CE2 . TYR B 90 ? 0.9389 1.0925 1.1782 0.0744 -0.1012 0.0679 768 TYR A CE2 5820 C CZ . TYR B 90 ? 0.9977 1.1367 1.2113 0.0688 -0.1054 0.0620 768 TYR A CZ 5821 O OH . TYR B 90 ? 0.9860 1.1200 1.1776 0.0583 -0.1097 0.0696 768 TYR A OH 5822 N N . PHE B 91 ? 0.7081 0.8581 0.9462 0.1039 -0.0798 0.0212 769 PHE A N 5823 C CA . PHE B 91 ? 0.5926 0.7524 0.8260 0.1060 -0.0763 0.0249 769 PHE A CA 5824 C C . PHE B 91 ? 0.6018 0.7649 0.8269 0.0970 -0.0835 0.0405 769 PHE A C 5825 O O . PHE B 91 ? 0.6031 0.7568 0.8085 0.0906 -0.0898 0.0405 769 PHE A O 5826 C CB . PHE B 91 ? 0.4801 0.6387 0.6930 0.1094 -0.0739 0.0112 769 PHE A CB 5827 C CG . PHE B 91 ? 0.4784 0.6334 0.6945 0.1151 -0.0676 -0.0050 769 PHE A CG 5828 C CD1 . PHE B 91 ? 0.5065 0.6638 0.7385 0.1211 -0.0572 -0.0088 769 PHE A CD1 5829 C CD2 . PHE B 91 ? 0.4512 0.6001 0.6537 0.1137 -0.0713 -0.0161 769 PHE A CD2 5830 C CE1 . PHE B 91 ? 0.5360 0.6865 0.7670 0.1242 -0.0504 -0.0250 769 PHE A CE1 5831 C CE2 . PHE B 91 ? 0.4966 0.6426 0.6999 0.1161 -0.0662 -0.0309 769 PHE A CE2 5832 C CZ . PHE B 91 ? 0.5210 0.6662 0.7369 0.1206 -0.0557 -0.0362 769 PHE A CZ 5833 N N . PRO B 92 ? 0.6106 0.7862 0.8492 0.0956 -0.0821 0.0543 770 PRO A N 5834 C CA . PRO B 92 ? 0.6002 0.7790 0.8296 0.0840 -0.0898 0.0698 770 PRO A CA 5835 C C . PRO B 92 ? 0.6521 0.8258 0.8534 0.0811 -0.0911 0.0660 770 PRO A C 5836 O O . PRO B 92 ? 0.6784 0.8514 0.8709 0.0887 -0.0861 0.0541 770 PRO A O 5837 C CB . PRO B 92 ? 0.5954 0.7932 0.8494 0.0849 -0.0867 0.0852 770 PRO A CB 5838 C CG . PRO B 92 ? 0.6281 0.8305 0.8945 0.0988 -0.0749 0.0746 770 PRO A CG 5839 C CD . PRO B 92 ? 0.6277 0.8153 0.8898 0.1043 -0.0726 0.0567 770 PRO A CD 5840 N N . GLU B 93 ? 0.7252 0.8946 0.9114 0.0687 -0.0978 0.0769 771 GLU A N 5841 C CA . GLU B 93 ? 0.7808 0.9424 0.9396 0.0649 -0.0985 0.0752 771 GLU A CA 5842 C C . GLU B 93 ? 0.7136 0.8899 0.8761 0.0691 -0.0938 0.0782 771 GLU A C 5843 O O . GLU B 93 ? 0.7329 0.9259 0.9162 0.0690 -0.0924 0.0886 771 GLU A O 5844 C CB . GLU B 93 ? 0.9567 1.1077 1.0970 0.0488 -0.1053 0.0865 771 GLU A CB 5845 C CG . GLU B 93 ? 1.1534 1.2828 1.2757 0.0449 -0.1075 0.0802 771 GLU A CG 5846 C CD . GLU B 93 ? 1.3849 1.4979 1.4791 0.0297 -0.1108 0.0877 771 GLU A CD 5847 O OE1 . GLU B 93 ? 1.4620 1.5785 1.5465 0.0235 -0.1110 0.0949 771 GLU A OE1 5848 O OE2 . GLU B 93 ? 1.5217 1.6170 1.6024 0.0231 -0.1125 0.0862 771 GLU A OE2 5849 N N . SER B 94 ? 0.6471 0.8183 0.7904 0.0732 -0.0910 0.0700 772 SER A N 5850 C CA . SER B 94 ? 0.5676 0.7514 0.7102 0.0760 -0.0868 0.0728 772 SER A CA 5851 C C . SER B 94 ? 0.5369 0.7218 0.6689 0.0627 -0.0914 0.0882 772 SER A C 5852 O O . SER B 94 ? 0.5485 0.7202 0.6666 0.0509 -0.0973 0.0940 772 SER A O 5853 C CB . SER B 94 ? 0.5668 0.7455 0.6914 0.0835 -0.0831 0.0605 772 SER A CB 5854 O OG . SER B 94 ? 0.5836 0.7612 0.7153 0.0927 -0.0802 0.0466 772 SER A OG 5855 N N . TRP B 95 ? 0.5264 0.7269 0.6639 0.0637 -0.0881 0.0946 773 TRP A N 5856 C CA . TRP B 95 ? 0.5211 0.7257 0.6496 0.0502 -0.0923 0.1098 773 TRP A CA 5857 C C . TRP B 95 ? 0.5477 0.7607 0.6685 0.0543 -0.0873 0.1094 773 TRP A C 5858 O O . TRP B 95 ? 0.5480 0.7623 0.6678 0.0667 -0.0811 0.0970 773 TRP A O 5859 C CB . TRP B 95 ? 0.4485 0.6716 0.6022 0.0433 -0.0957 0.1263 773 TRP A CB 5860 C CG . TRP B 95 ? 0.4635 0.7073 0.6492 0.0568 -0.0880 0.1264 773 TRP A CG 5861 C CD1 . TRP B 95 ? 0.4840 0.7265 0.6873 0.0689 -0.0831 0.1163 773 TRP A CD1 5862 C CD2 . TRP B 95 ? 0.4445 0.7117 0.6481 0.0597 -0.0829 0.1373 773 TRP A CD2 5863 N NE1 . TRP B 95 ? 0.4964 0.7574 0.7263 0.0794 -0.0740 0.1195 773 TRP A NE1 5864 C CE2 . TRP B 95 ? 0.4496 0.7270 0.6810 0.0746 -0.0735 0.1327 773 TRP A CE2 5865 C CE3 . TRP B 95 ? 0.4433 0.7233 0.6418 0.0508 -0.0846 0.1506 773 TRP A CE3 5866 C CZ2 . TRP B 95 ? 0.3877 0.6871 0.6424 0.0822 -0.0646 0.1411 773 TRP A CZ2 5867 C CZ3 . TRP B 95 ? 0.4397 0.7443 0.6625 0.0579 -0.0771 0.1597 773 TRP A CZ3 5868 C CH2 . TRP B 95 ? 0.3918 0.7058 0.6427 0.0741 -0.0667 0.1550 773 TRP A CH2 5869 N N . LEU B 96 ? 0.5309 0.7502 0.6451 0.0423 -0.0903 0.1234 774 LEU A N 5870 C CA . LEU B 96 ? 0.5427 0.7692 0.6471 0.0434 -0.0864 0.1254 774 LEU A CA 5871 C C . LEU B 96 ? 0.5703 0.7773 0.6471 0.0479 -0.0842 0.1132 774 LEU A C 5872 O O . LEU B 96 ? 0.5683 0.7816 0.6386 0.0536 -0.0795 0.1107 774 LEU A O 5873 C CB . LEU B 96 ? 0.5793 0.8301 0.7093 0.0562 -0.0782 0.1247 774 LEU A CB 5874 C CG . LEU B 96 ? 0.5567 0.8248 0.6874 0.0541 -0.0747 0.1343 774 LEU A CG 5875 C CD1 . LEU B 96 ? 0.5778 0.8564 0.7132 0.0374 -0.0818 0.1548 774 LEU A CD1 5876 C CD2 . LEU B 96 ? 0.5172 0.8054 0.6725 0.0687 -0.0641 0.1309 774 LEU A CD2 5877 N N . TRP B 97 ? 0.5250 0.7094 0.5861 0.0458 -0.0871 0.1069 775 TRP A N 5878 C CA . TRP B 97 ? 0.5157 0.6820 0.5533 0.0510 -0.0847 0.0976 775 TRP A CA 5879 C C . TRP B 97 ? 0.5562 0.7082 0.5678 0.0391 -0.0855 0.1065 775 TRP A C 5880 O O . TRP B 97 ? 0.5521 0.6804 0.5438 0.0295 -0.0874 0.1085 775 TRP A O 5881 C CB . TRP B 97 ? 0.4433 0.5920 0.4766 0.0537 -0.0862 0.0892 775 TRP A CB 5882 C CG . TRP B 97 ? 0.5275 0.6625 0.5429 0.0619 -0.0829 0.0808 775 TRP A CG 5883 C CD1 . TRP B 97 ? 0.5211 0.6328 0.5112 0.0573 -0.0817 0.0834 775 TRP A CD1 5884 C CD2 . TRP B 97 ? 0.5154 0.6599 0.5374 0.0759 -0.0798 0.0697 775 TRP A CD2 5885 N NE1 . TRP B 97 ? 0.5514 0.6597 0.5349 0.0691 -0.0781 0.0762 775 TRP A NE1 5886 C CE2 . TRP B 97 ? 0.4512 0.5807 0.4534 0.0795 -0.0779 0.0678 775 TRP A CE2 5887 C CE3 . TRP B 97 ? 0.4302 0.5934 0.4718 0.0849 -0.0779 0.0614 775 TRP A CE3 5888 C CZ2 . TRP B 97 ? 0.4946 0.6316 0.4977 0.0910 -0.0759 0.0596 775 TRP A CZ2 5889 C CZ3 . TRP B 97 ? 0.4793 0.6467 0.5181 0.0948 -0.0757 0.0512 775 TRP A CZ3 5890 C CH2 . TRP B 97 ? 0.4991 0.6555 0.5195 0.0974 -0.0756 0.0511 775 TRP A CH2 5891 N N . GLU B 98 ? 0.5743 0.7396 0.5851 0.0394 -0.0830 0.1115 776 GLU A N 5892 C CA . GLU B 98 ? 0.6441 0.7974 0.6315 0.0272 -0.0834 0.1207 776 GLU A CA 5893 C C . GLU B 98 ? 0.6533 0.8148 0.6344 0.0356 -0.0783 0.1192 776 GLU A C 5894 O O . GLU B 98 ? 0.6506 0.8310 0.6469 0.0485 -0.0748 0.1123 776 GLU A O 5895 C CB . GLU B 98 ? 0.7008 0.8653 0.6948 0.0107 -0.0884 0.1355 776 GLU A CB 5896 C CG . GLU B 98 ? 0.7242 0.9224 0.7509 0.0167 -0.0878 0.1401 776 GLU A CG 5897 C CD . GLU B 98 ? 0.7563 0.9678 0.7965 0.0015 -0.0942 0.1557 776 GLU A CD 5898 O OE1 . GLU B 98 ? 0.7499 0.9460 0.7805 -0.0108 -0.1000 0.1585 776 GLU A OE1 5899 O OE2 . GLU B 98 ? 0.7572 0.9959 0.8180 0.0015 -0.0932 0.1659 776 GLU A OE2 5900 N N . VAL B 99 ? 0.6616 0.8071 0.6181 0.0270 -0.0773 0.1255 777 VAL A N 5901 C CA . VAL B 99 ? 0.6385 0.7900 0.5860 0.0325 -0.0728 0.1267 777 VAL A CA 5902 C C . VAL B 99 ? 0.6334 0.7916 0.5760 0.0179 -0.0743 0.1401 777 VAL A C 5903 O O . VAL B 99 ? 0.6961 0.8383 0.6252 0.0012 -0.0779 0.1480 777 VAL A O 5904 C CB . VAL B 99 ? 0.5980 0.7236 0.5206 0.0371 -0.0690 0.1233 777 VAL A CB 5905 C CG1 . VAL B 99 ? 0.5738 0.7074 0.4878 0.0420 -0.0649 0.1264 777 VAL A CG1 5906 C CG2 . VAL B 99 ? 0.5745 0.6965 0.5036 0.0506 -0.0682 0.1118 777 VAL A CG2 5907 N N . HIS B 100 ? 0.5832 0.7652 0.5358 0.0231 -0.0715 0.1428 778 HIS A N 5908 C CA . HIS B 100 ? 0.6093 0.8032 0.5613 0.0102 -0.0727 0.1564 778 HIS A CA 5909 C C . HIS B 100 ? 0.6496 0.8466 0.5888 0.0144 -0.0678 0.1580 778 HIS A C 5910 O O . HIS B 100 ? 0.6873 0.8939 0.6309 0.0296 -0.0633 0.1493 778 HIS A O 5911 C CB . HIS B 100 ? 0.6138 0.8405 0.5976 0.0113 -0.0735 0.1618 778 HIS A CB 5912 C CG . HIS B 100 ? 0.6466 0.8738 0.6440 0.0036 -0.0794 0.1655 778 HIS A CG 5913 N ND1 . HIS B 100 ? 0.6598 0.8911 0.6572 -0.0156 -0.0857 0.1806 778 HIS A ND1 5914 C CD2 . HIS B 100 ? 0.6450 0.8700 0.6562 0.0114 -0.0804 0.1569 778 HIS A CD2 5915 C CE1 . HIS B 100 ? 0.6717 0.9041 0.6825 -0.0190 -0.0904 0.1817 778 HIS A CE1 5916 N NE2 . HIS B 100 ? 0.6462 0.8742 0.6659 -0.0023 -0.0870 0.1673 778 HIS A NE2 5917 N N . LEU B 101 ? 0.6707 0.8595 0.5927 -0.0005 -0.0688 0.1695 779 LEU A N 5918 C CA . LEU B 101 ? 0.7009 0.8971 0.6136 0.0013 -0.0645 0.1741 779 LEU A CA 5919 C C . LEU B 101 ? 0.7517 0.9843 0.6887 0.0012 -0.0638 0.1812 779 LEU A C 5920 O O . LEU B 101 ? 0.8762 1.1190 0.8212 -0.0132 -0.0680 0.1932 779 LEU A O 5921 C CB . LEU B 101 ? 0.7138 0.8832 0.5966 -0.0149 -0.0650 0.1833 779 LEU A CB 5922 C CG . LEU B 101 ? 0.7082 0.8839 0.5802 -0.0149 -0.0608 0.1899 779 LEU A CG 5923 C CD1 . LEU B 101 ? 0.6508 0.8304 0.5225 0.0050 -0.0554 0.1805 779 LEU A CD1 5924 C CD2 . LEU B 101 ? 0.7276 0.8715 0.5682 -0.0320 -0.0603 0.1985 779 LEU A CD2 5925 N N . VAL B 102 ? 0.6495 0.9024 0.5985 0.0167 -0.0581 0.1745 780 VAL A N 5926 C CA . VAL B 102 ? 0.6487 0.9354 0.6222 0.0199 -0.0544 0.1796 780 VAL A CA 5927 C C . VAL B 102 ? 0.7027 0.9982 0.6646 0.0180 -0.0503 0.1864 780 VAL A C 5928 O O . VAL B 102 ? 0.6777 0.9727 0.6300 0.0292 -0.0455 0.1782 780 VAL A O 5929 C CB . VAL B 102 ? 0.6255 0.9272 0.6197 0.0376 -0.0489 0.1662 780 VAL A CB 5930 C CG1 . VAL B 102 ? 0.5104 0.8440 0.5280 0.0422 -0.0419 0.1714 780 VAL A CG1 5931 C CG2 . VAL B 102 ? 0.5049 0.7983 0.5116 0.0388 -0.0530 0.1608 780 VAL A CG2 5932 N N . PRO B 103 ? 0.7391 1.0440 0.7007 0.0023 -0.0525 0.2028 781 PRO A N 5933 C CA . PRO B 103 ? 0.7294 1.0464 0.6829 0.0002 -0.0482 0.2104 781 PRO A CA 5934 C C . PRO B 103 ? 0.7403 1.0922 0.7193 0.0119 -0.0403 0.2099 781 PRO A C 5935 O O . PRO B 103 ? 0.8135 1.1899 0.8094 0.0056 -0.0389 0.2230 781 PRO A O 5936 C CB . PRO B 103 ? 0.7641 1.0774 0.7094 -0.0222 -0.0543 0.2276 781 PRO A CB 5937 C CG . PRO B 103 ? 0.7577 1.0516 0.7008 -0.0322 -0.0619 0.2272 781 PRO A CG 5938 C CD . PRO B 103 ? 0.7111 1.0143 0.6770 -0.0156 -0.0600 0.2151 781 PRO A CD 5939 N N . ARG B 104 ? 0.7396 1.0937 0.7215 0.0290 -0.0344 0.1945 782 ARG A N 5940 C CA . ARG B 104 ? 0.7397 1.1209 0.7414 0.0416 -0.0244 0.1898 782 ARG A CA 5941 C C . ARG B 104 ? 0.7163 1.1152 0.7506 0.0445 -0.0220 0.1929 782 ARG A C 5942 O O . ARG B 104 ? 0.7107 1.1249 0.7623 0.0575 -0.0122 0.1851 782 ARG A O 5943 C CB . ARG B 104 ? 0.7824 1.1820 0.7803 0.0381 -0.0189 0.2001 782 ARG A CB 5944 C CG . ARG B 104 ? 0.8724 1.2571 0.8399 0.0367 -0.0200 0.1983 782 ARG A CG 5945 C CD . ARG B 104 ? 0.9485 1.3530 0.9136 0.0333 -0.0142 0.2087 782 ARG A CD 5946 N NE . ARG B 104 ? 1.0144 1.4443 0.9956 0.0456 -0.0028 0.2023 782 ARG A NE 5947 C CZ . ARG B 104 ? 1.0569 1.5121 1.0644 0.0464 0.0038 0.2102 782 ARG A CZ 5948 N NH1 . ARG B 104 ? 1.0762 1.5383 1.0980 0.0346 -0.0019 0.2262 782 ARG A NH1 5949 N NH2 . ARG B 104 ? 1.0686 1.5425 1.0880 0.0585 0.0166 0.2029 782 ARG A NH2 5950 N N . ARG B 105 ? 0.7123 1.1085 0.7543 0.0320 -0.0304 0.2046 783 ARG A N 5951 C CA . ARG B 105 ? 0.7352 1.1511 0.8101 0.0333 -0.0291 0.2120 783 ARG A CA 5952 C C . ARG B 105 ? 0.7736 1.1776 0.8479 0.0181 -0.0413 0.2209 783 ARG A C 5953 O O . ARG B 105 ? 0.8218 1.2184 0.8794 0.0005 -0.0489 0.2326 783 ARG A O 5954 C CB . ARG B 105 ? 0.7977 1.2466 0.8932 0.0317 -0.0223 0.2280 783 ARG A CB 5955 C CG . ARG B 105 ? 0.9095 1.3837 1.0436 0.0414 -0.0146 0.2333 783 ARG A CG 5956 C CD . ARG B 105 ? 1.0276 1.5353 1.1816 0.0406 -0.0066 0.2505 783 ARG A CD 5957 N NE . ARG B 105 ? 1.1154 1.6245 1.2518 0.0460 0.0019 0.2435 783 ARG A NE 5958 C CZ . ARG B 105 ? 1.1554 1.6888 1.2990 0.0430 0.0080 0.2573 783 ARG A CZ 5959 N NH1 . ARG B 105 ? 1.1883 1.7485 1.3578 0.0344 0.0061 0.2798 783 ARG A NH1 5960 N NH2 . ARG B 105 ? 1.1615 1.6942 1.2866 0.0478 0.0155 0.2497 783 ARG A NH2 5961 N N . LYS B 106 ? 0.7054 1.1064 0.7960 0.0237 -0.0428 0.2155 784 LYS A N 5962 C CA . LYS B 106 ? 0.6831 1.0745 0.7737 0.0089 -0.0541 0.2241 784 LYS A CA 5963 C C . LYS B 106 ? 0.6897 1.0928 0.8115 0.0181 -0.0524 0.2231 784 LYS A C 5964 O O . LYS B 106 ? 0.7176 1.1114 0.8428 0.0336 -0.0468 0.2063 784 LYS A O 5965 C CB . LYS B 106 ? 0.6753 1.0293 0.7323 0.0025 -0.0610 0.2135 784 LYS A CB 5966 C CG . LYS B 106 ? 0.6771 1.0184 0.7310 -0.0133 -0.0715 0.2206 784 LYS A CG 5967 C CD . LYS B 106 ? 0.6859 0.9880 0.7043 -0.0205 -0.0761 0.2115 784 LYS A CD 5968 C CE . LYS B 106 ? 0.7257 1.0149 0.7392 -0.0377 -0.0855 0.2181 784 LYS A CE 5969 N NZ . LYS B 106 ? 0.8059 1.0543 0.7844 -0.0443 -0.0877 0.2091 784 LYS A NZ 5970 N N . GLN B 107 ? 0.6722 1.0962 0.8167 0.0079 -0.0571 0.2420 785 GLN A N 5971 C CA . GLN B 107 ? 0.6863 1.1226 0.8622 0.0149 -0.0563 0.2452 785 GLN A CA 5972 C C . GLN B 107 ? 0.7108 1.1314 0.8768 -0.0016 -0.0699 0.2501 785 GLN A C 5973 O O . GLN B 107 ? 0.7671 1.1822 0.9139 -0.0226 -0.0795 0.2612 785 GLN A O 5974 C CB . GLN B 107 ? 0.6981 1.1743 0.9121 0.0172 -0.0506 0.2658 785 GLN A CB 5975 C CG . GLN B 107 ? 0.7072 1.1979 0.9565 0.0231 -0.0501 0.2738 785 GLN A CG 5976 C CD . GLN B 107 ? 0.6954 1.2277 0.9833 0.0219 -0.0466 0.3001 785 GLN A CD 5977 O OE1 . GLN B 107 ? 0.6931 1.2413 0.9986 0.0098 -0.0561 0.3193 785 GLN A OE1 5978 N NE2 . GLN B 107 ? 0.6899 1.2413 0.9918 0.0344 -0.0327 0.3021 785 GLN A NE2 5979 N N . LEU B 108 ? 0.6561 1.0677 0.8331 0.0069 -0.0701 0.2412 786 LEU A N 5980 C CA . LEU B 108 ? 0.7251 1.1231 0.8946 -0.0080 -0.0821 0.2456 786 LEU A CA 5981 C C . LEU B 108 ? 0.7468 1.1612 0.9522 0.0010 -0.0805 0.2507 786 LEU A C 5982 O O . LEU B 108 ? 0.7609 1.1742 0.9813 0.0212 -0.0705 0.2373 786 LEU A O 5983 C CB . LEU B 108 ? 0.7391 1.0972 0.8732 -0.0088 -0.0852 0.2260 786 LEU A CB 5984 C CG . LEU B 108 ? 0.7640 1.1060 0.8999 0.0103 -0.0794 0.2047 786 LEU A CG 5985 C CD1 . LEU B 108 ? 0.8229 1.1289 0.9243 0.0049 -0.0843 0.1918 786 LEU A CD1 5986 C CD2 . LEU B 108 ? 0.7954 1.1456 0.9374 0.0292 -0.0672 0.1933 786 LEU A CD2 5987 N N . GLN B 109 ? 0.7503 1.1803 0.9692 -0.0148 -0.0902 0.2707 787 GLN A N 5988 C CA . GLN B 109 ? 0.7667 1.2158 1.0226 -0.0076 -0.0894 0.2803 787 GLN A CA 5989 C C . GLN B 109 ? 0.7254 1.1533 0.9688 -0.0180 -0.1000 0.2764 787 GLN A C 5990 O O . GLN B 109 ? 0.7328 1.1411 0.9439 -0.0380 -0.1104 0.2765 787 GLN A O 5991 C CB . GLN B 109 ? 0.8226 1.3131 1.1104 -0.0165 -0.0919 0.3101 787 GLN A CB 5992 C CG . GLN B 109 ? 0.9292 1.4238 1.1981 -0.0467 -0.1077 0.3280 787 GLN A CG 5993 C CD . GLN B 109 ? 1.0253 1.5655 1.3296 -0.0560 -0.1114 0.3598 787 GLN A CD 5994 O OE1 . GLN B 109 ? 1.0442 1.6133 1.3852 -0.0385 -0.0999 0.3688 787 GLN A OE1 5995 N NE2 . GLN B 109 ? 1.0600 1.6072 1.3534 -0.0841 -0.1269 0.3777 787 GLN A NE2 5996 N N . PHE B 110 ? 0.6897 1.1202 0.9583 -0.0043 -0.0961 0.2728 788 PHE A N 5997 C CA . PHE B 110 ? 0.6472 1.0589 0.9075 -0.0114 -0.1047 0.2684 788 PHE A CA 5998 C C . PHE B 110 ? 0.6471 1.0792 0.9493 0.0002 -0.1012 0.2781 788 PHE A C 5999 O O . PHE B 110 ? 0.6745 1.1368 1.0118 0.0103 -0.0933 0.2923 788 PHE A O 6000 C CB . PHE B 110 ? 0.6532 1.0266 0.8828 -0.0033 -0.1020 0.2406 788 PHE A CB 6001 C CG . PHE B 110 ? 0.6647 1.0353 0.9035 0.0210 -0.0880 0.2228 788 PHE A CG 6002 C CD1 . PHE B 110 ? 0.6413 1.0160 0.9073 0.0378 -0.0804 0.2170 788 PHE A CD1 6003 C CD2 . PHE B 110 ? 0.6692 1.0325 0.8878 0.0257 -0.0822 0.2121 788 PHE A CD2 6004 C CE1 . PHE B 110 ? 0.6525 1.0226 0.9233 0.0576 -0.0671 0.1998 788 PHE A CE1 6005 C CE2 . PHE B 110 ? 0.6771 1.0383 0.9012 0.0457 -0.0698 0.1958 788 PHE A CE2 6006 C CZ . PHE B 110 ? 0.6749 1.0389 0.9240 0.0609 -0.0622 0.1891 788 PHE A CZ 6007 N N . ALA B 111 ? 0.6151 1.0301 0.9143 -0.0006 -0.1060 0.2710 789 ALA A N 6008 C CA . ALA B 111 ? 0.6146 1.0444 0.9513 0.0102 -0.1028 0.2792 789 ALA A CA 6009 C C . ALA B 111 ? 0.6506 1.0523 0.9813 0.0267 -0.0958 0.2537 789 ALA A C 6010 O O . ALA B 111 ? 0.6940 1.0665 0.9921 0.0202 -0.1014 0.2376 789 ALA A O 6011 C CB . ALA B 111 ? 0.6139 1.0558 0.9568 -0.0103 -0.1173 0.3005 789 ALA A CB 6012 N N . LEU B 112 ? 0.6310 1.0409 0.9926 0.0476 -0.0827 0.2504 790 LEU A N 6013 C CA . LEU B 112 ? 0.5953 0.9799 0.9523 0.0621 -0.0758 0.2268 790 LEU A CA 6014 C C . LEU B 112 ? 0.6999 1.0741 1.0569 0.0538 -0.0859 0.2291 790 LEU A C 6015 O O . LEU B 112 ? 0.7406 1.1348 1.1186 0.0445 -0.0930 0.2517 790 LEU A O 6016 C CB . LEU B 112 ? 0.4841 0.8781 0.8735 0.0845 -0.0582 0.2239 790 LEU A CB 6017 C CG . LEU B 112 ? 0.4353 0.8372 0.8231 0.0942 -0.0459 0.2188 790 LEU A CG 6018 C CD1 . LEU B 112 ? 0.4434 0.8609 0.8691 0.1133 -0.0279 0.2245 790 LEU A CD1 6019 C CD2 . LEU B 112 ? 0.3847 0.7590 0.7374 0.0985 -0.0430 0.1905 790 LEU A CD2 6020 N N . PRO B 113 ? 0.7088 1.0536 1.0428 0.0561 -0.0870 0.2073 791 PRO A N 6021 C CA . PRO B 113 ? 0.7274 1.0613 1.0594 0.0477 -0.0962 0.2088 791 PRO A CA 6022 C C . PRO B 113 ? 0.7937 1.1403 1.1650 0.0588 -0.0907 0.2179 791 PRO A C 6023 O O . PRO B 113 ? 0.8002 1.1557 1.1967 0.0763 -0.0770 0.2164 791 PRO A O 6024 C CB . PRO B 113 ? 0.6662 0.9679 0.9677 0.0517 -0.0954 0.1823 791 PRO A CB 6025 C CG . PRO B 113 ? 0.6466 0.9459 0.9467 0.0677 -0.0830 0.1668 791 PRO A CG 6026 C CD . PRO B 113 ? 0.6727 0.9951 0.9815 0.0656 -0.0804 0.1817 791 PRO A CD 6027 N N . ASP B 114 ? 0.8504 1.1966 1.2258 0.0481 -0.1007 0.2279 792 ASP A N 6028 C CA . ASP B 114 ? 0.8855 1.2428 1.2978 0.0570 -0.0969 0.2387 792 ASP A CA 6029 C C . ASP B 114 ? 0.9304 1.2610 1.3381 0.0706 -0.0894 0.2144 792 ASP A C 6030 O O . ASP B 114 ? 1.0838 1.3956 1.4729 0.0629 -0.0973 0.2055 792 ASP A O 6031 C CB . ASP B 114 ? 0.9051 1.2745 1.3223 0.0383 -0.1116 0.2605 792 ASP A CB 6032 C CG . ASP B 114 ? 0.9503 1.3470 1.3697 0.0216 -0.1204 0.2851 792 ASP A CG 6033 O OD1 . ASP B 114 ? 0.9674 1.3830 1.4028 0.0297 -0.1125 0.2924 792 ASP A OD1 6034 O OD2 . ASP B 114 ? 0.9998 1.3990 1.4038 -0.0007 -0.1349 0.2973 792 ASP A OD2 6035 N N . SER B 115 ? 0.8462 1.1748 1.2700 0.0899 -0.0737 0.2037 793 SER A N 6036 C CA . SER B 115 ? 0.8052 1.1091 1.2241 0.1019 -0.0657 0.1802 793 SER A CA 6037 C C . SER B 115 ? 0.8141 1.1212 1.2565 0.1213 -0.0467 0.1750 793 SER A C 6038 O O . SER B 115 ? 0.9044 1.2286 1.3572 0.1258 -0.0396 0.1839 793 SER A O 6039 C CB . SER B 115 ? 0.7891 1.0695 1.1672 0.0977 -0.0697 0.1563 793 SER A CB 6040 O OG . SER B 115 ? 0.8316 1.0925 1.2065 0.1093 -0.0609 0.1342 793 SER A OG 6041 N N . LEU B 116 ? 0.7265 1.0158 1.1764 0.1320 -0.0377 0.1607 794 LEU A N 6042 C CA . LEU B 116 ? 0.6825 0.9656 1.1462 0.1495 -0.0177 0.1496 794 LEU A CA 6043 C C . LEU B 116 ? 0.6505 0.9111 1.0791 0.1503 -0.0154 0.1203 794 LEU A C 6044 O O . LEU B 116 ? 0.6650 0.9050 1.0819 0.1506 -0.0161 0.1031 794 LEU A O 6045 C CB . LEU B 116 ? 0.6798 0.9563 1.1735 0.1599 -0.0079 0.1530 794 LEU A CB 6046 C CG . LEU B 116 ? 0.6627 0.9645 1.1998 0.1663 -0.0019 0.1827 794 LEU A CG 6047 C CD1 . LEU B 116 ? 0.5906 0.9112 1.1358 0.1512 -0.0209 0.2069 794 LEU A CD1 6048 C CD2 . LEU B 116 ? 0.6901 0.9800 1.2560 0.1829 0.0169 0.1808 794 LEU A CD2 6049 N N . THR B 117 ? 0.6002 0.8669 1.0124 0.1501 -0.0131 0.1159 795 THR A N 6050 C CA . THR B 117 ? 0.5863 0.8366 0.9631 0.1479 -0.0146 0.0922 795 THR A CA 6051 C C . THR B 117 ? 0.5838 0.8402 0.9549 0.1550 -0.0024 0.0864 795 THR A C 6052 O O . THR B 117 ? 0.5943 0.8709 0.9791 0.1557 0.0000 0.1034 795 THR A O 6053 C CB . THR B 117 ? 0.5976 0.8466 0.9477 0.1332 -0.0327 0.0941 795 THR A CB 6054 O OG1 . THR B 117 ? 0.5735 0.8151 0.9268 0.1265 -0.0427 0.0980 795 THR A OG1 6055 C CG2 . THR B 117 ? 0.6206 0.8557 0.9369 0.1321 -0.0340 0.0729 795 THR A CG2 6056 N N . THR B 118 ? 0.5660 0.8062 0.9168 0.1593 0.0053 0.0631 796 THR A N 6057 C CA . THR B 118 ? 0.5757 0.8200 0.9133 0.1635 0.0150 0.0551 796 THR A CA 6058 C C . THR B 118 ? 0.5356 0.7813 0.8416 0.1531 0.0012 0.0513 796 THR A C 6059 O O . THR B 118 ? 0.5118 0.7437 0.7930 0.1499 -0.0035 0.0343 796 THR A O 6060 C CB . THR B 118 ? 0.6396 0.8662 0.9699 0.1716 0.0309 0.0326 796 THR A CB 6061 O OG1 . THR B 118 ? 0.6857 0.9084 1.0463 0.1819 0.0457 0.0375 796 THR A OG1 6062 C CG2 . THR B 118 ? 0.6411 0.8723 0.9553 0.1746 0.0409 0.0244 796 THR A CG2 6063 N N . TRP B 119 ? 0.5152 0.7779 0.8228 0.1476 -0.0054 0.0687 797 TRP A N 6064 C CA . TRP B 119 ? 0.5288 0.7915 0.8076 0.1378 -0.0172 0.0677 797 TRP A CA 6065 C C . TRP B 119 ? 0.5722 0.8359 0.8321 0.1417 -0.0092 0.0556 797 TRP A C 6066 O O . TRP B 119 ? 0.6542 0.9265 0.9260 0.1497 0.0045 0.0563 797 TRP A O 6067 C CB . TRP B 119 ? 0.4936 0.7725 0.7789 0.1284 -0.0267 0.0905 797 TRP A CB 6068 C CG . TRP B 119 ? 0.5045 0.7822 0.8006 0.1206 -0.0374 0.1025 797 TRP A CG 6069 C CD1 . TRP B 119 ? 0.5465 0.8393 0.8729 0.1202 -0.0373 0.1219 797 TRP A CD1 6070 C CD2 . TRP B 119 ? 0.5256 0.7869 0.8026 0.1119 -0.0495 0.0967 797 TRP A CD2 6071 N NE1 . TRP B 119 ? 0.5888 0.8756 0.9144 0.1105 -0.0494 0.1281 797 TRP A NE1 6072 C CE2 . TRP B 119 ? 0.5392 0.8056 0.8342 0.1055 -0.0564 0.1122 797 TRP A CE2 6073 C CE3 . TRP B 119 ? 0.5526 0.7965 0.8000 0.1092 -0.0545 0.0811 797 TRP A CE3 6074 C CZ2 . TRP B 119 ? 0.5367 0.7894 0.8187 0.0960 -0.0676 0.1110 797 TRP A CZ2 6075 C CZ3 . TRP B 119 ? 0.5698 0.8006 0.8066 0.1011 -0.0648 0.0807 797 TRP A CZ3 6076 C CH2 . TRP B 119 ? 0.5495 0.7838 0.8024 0.0944 -0.0710 0.0947 797 TRP A CH2 6077 N N . GLU B 120 ? 0.5210 0.7761 0.7514 0.1362 -0.0174 0.0457 798 GLU A N 6078 C CA . GLU B 120 ? 0.5541 0.8101 0.7629 0.1382 -0.0122 0.0343 798 GLU A CA 6079 C C . GLU B 120 ? 0.5574 0.8183 0.7474 0.1298 -0.0226 0.0436 798 GLU A C 6080 O O . GLU B 120 ? 0.5850 0.8360 0.7597 0.1233 -0.0339 0.0434 798 GLU A O 6081 C CB . GLU B 120 ? 0.5771 0.8187 0.7685 0.1396 -0.0116 0.0134 798 GLU A CB 6082 C CG . GLU B 120 ? 0.6547 0.8981 0.8205 0.1392 -0.0091 0.0024 798 GLU A CG 6083 C CD . GLU B 120 ? 0.7603 0.9929 0.9129 0.1401 -0.0060 -0.0177 798 GLU A CD 6084 O OE1 . GLU B 120 ? 0.8147 1.0391 0.9803 0.1441 0.0026 -0.0259 798 GLU A OE1 6085 O OE2 . GLU B 120 ? 0.7727 1.0053 0.9019 0.1362 -0.0122 -0.0246 798 GLU A OE2 6086 N N . ILE B 121 ? 0.5218 0.7968 0.7130 0.1301 -0.0178 0.0525 799 ILE A N 6087 C CA . ILE B 121 ? 0.5188 0.7982 0.6929 0.1217 -0.0260 0.0626 799 ILE A CA 6088 C C . ILE B 121 ? 0.5557 0.8338 0.7050 0.1237 -0.0231 0.0510 799 ILE A C 6089 O O . ILE B 121 ? 0.6031 0.8886 0.7542 0.1302 -0.0116 0.0442 799 ILE A O 6090 C CB . ILE B 121 ? 0.4218 0.7198 0.6134 0.1189 -0.0239 0.0820 799 ILE A CB 6091 C CG1 . ILE B 121 ? 0.4127 0.7145 0.6285 0.1152 -0.0288 0.0959 799 ILE A CG1 6092 C CG2 . ILE B 121 ? 0.4241 0.7248 0.5951 0.1094 -0.0312 0.0910 799 ILE A CG2 6093 C CD1 . ILE B 121 ? 0.4120 0.7347 0.6444 0.1092 -0.0301 0.1183 799 ILE A CD1 6094 N N . GLN B 122 ? 0.5108 0.7792 0.6367 0.1180 -0.0327 0.0496 800 GLN A N 6095 C CA . GLN B 122 ? 0.5206 0.7878 0.6226 0.1193 -0.0322 0.0404 800 GLN A CA 6096 C C . GLN B 122 ? 0.5098 0.7771 0.5949 0.1124 -0.0384 0.0522 800 GLN A C 6097 O O . GLN B 122 ? 0.5575 0.8145 0.6381 0.1056 -0.0468 0.0605 800 GLN A O 6098 C CB . GLN B 122 ? 0.5596 0.8143 0.6502 0.1205 -0.0370 0.0274 800 GLN A CB 6099 C CG . GLN B 122 ? 0.6295 0.8795 0.7366 0.1248 -0.0330 0.0171 800 GLN A CG 6100 C CD . GLN B 122 ? 0.6202 0.8570 0.7233 0.1228 -0.0415 0.0122 800 GLN A CD 6101 O OE1 . GLN B 122 ? 0.6621 0.8923 0.7529 0.1186 -0.0499 0.0184 800 GLN A OE1 6102 N NE2 . GLN B 122 ? 0.5786 0.8104 0.6921 0.1259 -0.0383 0.0014 800 GLN A NE2 6103 N N . GLY B 123 ? 0.4992 0.7764 0.5737 0.1135 -0.0337 0.0526 801 GLY A N 6104 C CA . GLY B 123 ? 0.5077 0.7843 0.5651 0.1073 -0.0382 0.0635 801 GLY A CA 6105 C C . GLY B 123 ? 0.5471 0.8221 0.5817 0.1097 -0.0387 0.0563 801 GLY A C 6106 O O . GLY B 123 ? 0.6245 0.9073 0.6567 0.1151 -0.0329 0.0449 801 GLY A O 6107 N N . VAL B 124 ? 0.5521 0.8161 0.5694 0.1053 -0.0452 0.0634 802 VAL A N 6108 C CA . VAL B 124 ? 0.5759 0.8392 0.5727 0.1077 -0.0464 0.0607 802 VAL A CA 6109 C C . VAL B 124 ? 0.6347 0.8948 0.6173 0.1022 -0.0476 0.0743 802 VAL A C 6110 O O . VAL B 124 ? 0.6636 0.9073 0.6402 0.0963 -0.0520 0.0828 802 VAL A O 6111 C CB . VAL B 124 ? 0.5890 0.8391 0.5794 0.1100 -0.0520 0.0557 802 VAL A CB 6112 C CG1 . VAL B 124 ? 0.5443 0.7962 0.5156 0.1125 -0.0534 0.0574 802 VAL A CG1 6113 C CG2 . VAL B 124 ? 0.5953 0.8488 0.5983 0.1142 -0.0509 0.0419 802 VAL A CG2 6114 N N . GLY B 125 ? 0.6230 0.8970 0.5984 0.1031 -0.0432 0.0760 803 GLY A N 6115 C CA . GLY B 125 ? 0.5750 0.8469 0.5369 0.0977 -0.0436 0.0889 803 GLY A CA 6116 C C . GLY B 125 ? 0.5846 0.8496 0.5261 0.1002 -0.0459 0.0909 803 GLY A C 6117 O O . GLY B 125 ? 0.5142 0.7887 0.4514 0.1061 -0.0454 0.0831 803 GLY A O 6118 N N . ILE B 126 ? 0.5880 0.8363 0.5168 0.0950 -0.0481 0.1025 804 ILE A N 6119 C CA . ILE B 126 ? 0.5954 0.8347 0.5061 0.0979 -0.0488 0.1082 804 ILE A CA 6120 C C . ILE B 126 ? 0.7074 0.9445 0.6055 0.0916 -0.0465 0.1208 804 ILE A C 6121 O O . ILE B 126 ? 0.7530 0.9786 0.6502 0.0823 -0.0468 0.1280 804 ILE A O 6122 C CB . ILE B 126 ? 0.5864 0.8005 0.4919 0.0986 -0.0514 0.1099 804 ILE A CB 6123 C CG1 . ILE B 126 ? 0.5969 0.8153 0.5145 0.1050 -0.0539 0.0980 804 ILE A CG1 6124 C CG2 . ILE B 126 ? 0.5745 0.7771 0.4622 0.1020 -0.0500 0.1194 804 ILE A CG2 6125 C CD1 . ILE B 126 ? 0.6228 0.8582 0.5379 0.1129 -0.0544 0.0931 804 ILE A CD1 6126 N N . SER B 127 ? 0.7467 0.9956 0.6345 0.0955 -0.0446 0.1239 805 SER A N 6127 C CA . SER B 127 ? 0.7718 1.0190 0.6465 0.0901 -0.0422 0.1363 805 SER A CA 6128 C C . SER B 127 ? 0.8249 1.0760 0.6859 0.0965 -0.0415 0.1413 805 SER A C 6129 O O . SER B 127 ? 0.8385 1.0958 0.7010 0.1043 -0.0435 0.1357 805 SER A O 6130 C CB . SER B 127 ? 0.7776 1.0466 0.6604 0.0859 -0.0390 0.1362 805 SER A CB 6131 O OG . SER B 127 ? 0.7846 1.0769 0.6728 0.0927 -0.0367 0.1259 805 SER A OG 6132 N N . ASN B 128 ? 0.8863 1.1353 0.7343 0.0927 -0.0390 0.1532 806 ASN A N 6133 C CA . ASN B 128 ? 0.9571 1.2117 0.7929 0.0987 -0.0383 0.1606 806 ASN A CA 6134 C C . ASN B 128 ? 0.8729 1.1591 0.7119 0.1033 -0.0390 0.1529 806 ASN A C 6135 O O . ASN B 128 ? 0.8715 1.1671 0.7022 0.1083 -0.0401 0.1583 806 ASN A O 6136 C CB . ASN B 128 ? 1.1148 1.3603 0.9360 0.0928 -0.0350 0.1752 806 ASN A CB 6137 C CG . ASN B 128 ? 1.2308 1.4403 1.0406 0.0904 -0.0330 0.1848 806 ASN A CG 6138 O OD1 . ASN B 128 ? 1.2698 1.4597 1.0792 0.0815 -0.0328 0.1845 806 ASN A OD1 6139 N ND2 . ASN B 128 ? 1.2606 1.4609 1.0608 0.0980 -0.0309 0.1941 806 ASN A ND2 6140 N N . THR B 129 ? 0.8378 1.1398 0.6880 0.1013 -0.0379 0.1411 807 THR A N 6141 C CA . THR B 129 ? 0.8116 1.1395 0.6625 0.1042 -0.0370 0.1310 807 THR A CA 6142 C C . THR B 129 ? 0.7529 1.0830 0.6123 0.1087 -0.0402 0.1177 807 THR A C 6143 O O . THR B 129 ? 0.7553 1.1042 0.6137 0.1094 -0.0393 0.1073 807 THR A O 6144 C CB . THR B 129 ? 0.8740 1.2167 0.7312 0.1001 -0.0310 0.1256 807 THR A CB 6145 O OG1 . THR B 129 ? 0.9255 1.2570 0.7862 0.0941 -0.0295 0.1354 807 THR A OG1 6146 C CG2 . THR B 129 ? 0.8854 1.2498 0.7300 0.0994 -0.0277 0.1272 807 THR A CG2 6147 N N . GLY B 130 ? 0.7385 1.0490 0.6049 0.1106 -0.0434 0.1174 808 GLY A N 6148 C CA . GLY B 130 ? 0.6985 1.0102 0.5725 0.1148 -0.0470 0.1067 808 GLY A CA 6149 C C . GLY B 130 ? 0.6958 0.9966 0.5856 0.1134 -0.0466 0.0972 808 GLY A C 6150 O O . GLY B 130 ? 0.7122 0.9977 0.6060 0.1095 -0.0457 0.1027 808 GLY A O 6151 N N . ILE B 131 ? 0.6790 0.9880 0.5768 0.1155 -0.0476 0.0835 809 ILE A N 6152 C CA . ILE B 131 ? 0.6961 0.9962 0.6100 0.1152 -0.0474 0.0741 809 ILE A CA 6153 C C . ILE B 131 ? 0.6779 0.9924 0.5992 0.1143 -0.0415 0.0617 809 ILE A C 6154 O O . ILE B 131 ? 0.5378 0.8679 0.4503 0.1143 -0.0392 0.0551 809 ILE A O 6155 C CB . ILE B 131 ? 0.6753 0.9687 0.5930 0.1188 -0.0526 0.0689 809 ILE A CB 6156 C CG1 . ILE B 131 ? 0.7200 1.0039 0.6543 0.1183 -0.0525 0.0596 809 ILE A CG1 6157 C CG2 . ILE B 131 ? 0.5282 0.8401 0.4395 0.1202 -0.0545 0.0614 809 ILE A CG2 6158 C CD1 . ILE B 131 ? 0.7308 1.0080 0.6695 0.1213 -0.0574 0.0548 809 ILE A CD1 6159 N N . CYS B 132 ? 0.6707 0.9796 0.6077 0.1132 -0.0382 0.0595 810 CYS A N 6160 C CA . CYS B 132 ? 0.6994 1.0191 0.6468 0.1140 -0.0301 0.0491 810 CYS A CA 6161 C C . CYS B 132 ? 0.6640 0.9741 0.6308 0.1155 -0.0300 0.0428 810 CYS A C 6162 O O . CYS B 132 ? 0.6912 0.9934 0.6696 0.1134 -0.0316 0.0513 810 CYS A O 6163 C CB . CYS B 132 ? 0.8166 1.1451 0.7666 0.1119 -0.0236 0.0573 810 CYS A CB 6164 S SG . CYS B 132 ? 0.9076 1.2507 0.8663 0.1147 -0.0101 0.0451 810 CYS A SG 6165 N N . VAL B 133 ? 0.6164 0.9272 0.5859 0.1178 -0.0283 0.0284 811 VAL A N 6166 C CA . VAL B 133 ? 0.5828 0.8852 0.5714 0.1196 -0.0269 0.0217 811 VAL A CA 6167 C C . VAL B 133 ? 0.5983 0.9079 0.6008 0.1218 -0.0152 0.0184 811 VAL A C 6168 O O . VAL B 133 ? 0.6275 0.9436 0.6246 0.1232 -0.0065 0.0069 811 VAL A O 6169 C CB . VAL B 133 ? 0.5574 0.8560 0.5428 0.1205 -0.0296 0.0081 811 VAL A CB 6170 C CG1 . VAL B 133 ? 0.4917 0.7809 0.4973 0.1224 -0.0273 0.0016 811 VAL A CG1 6171 C CG2 . VAL B 133 ? 0.4969 0.7910 0.4714 0.1197 -0.0401 0.0139 811 VAL A CG2 6172 N N . ALA B 134 ? 0.5833 0.8919 0.6035 0.1215 -0.0142 0.0293 812 ALA A N 6173 C CA . ALA B 134 ? 0.5983 0.9158 0.6361 0.1249 -0.0025 0.0298 812 ALA A CA 6174 C C . ALA B 134 ? 0.5907 0.9024 0.6415 0.1299 0.0050 0.0158 812 ALA A C 6175 O O . ALA B 134 ? 0.5603 0.8610 0.6099 0.1295 -0.0010 0.0079 812 ALA A O 6176 C CB . ALA B 134 ? 0.5480 0.8684 0.6034 0.1221 -0.0051 0.0471 812 ALA A CB 6177 N N . ASP B 135 ? 0.6370 0.9556 0.7005 0.1347 0.0193 0.0132 813 ASP A N 6178 C CA . ASP B 135 ? 0.6657 0.9762 0.7437 0.1401 0.0290 0.0015 813 ASP A CA 6179 C C . ASP B 135 ? 0.6679 0.9726 0.7700 0.1411 0.0230 0.0105 813 ASP A C 6180 O O . ASP B 135 ? 0.6824 0.9955 0.8005 0.1401 0.0203 0.0275 813 ASP A O 6181 C CB . ASP B 135 ? 0.6948 1.0126 0.7826 0.1464 0.0480 -0.0009 813 ASP A CB 6182 C CG . ASP B 135 ? 0.7969 1.1165 0.8586 0.1448 0.0564 -0.0148 813 ASP A CG 6183 O OD1 . ASP B 135 ? 0.8424 1.1552 0.8820 0.1398 0.0495 -0.0271 813 ASP A OD1 6184 O OD2 . ASP B 135 ? 0.8776 1.2067 0.9409 0.1481 0.0698 -0.0127 813 ASP A OD2 6185 N N . THR B 136 ? 0.7204 1.0117 0.8242 0.1417 0.0203 -0.0004 814 THR A N 6186 C CA . THR B 136 ? 0.7416 1.0269 0.8673 0.1422 0.0148 0.0071 814 THR A CA 6187 C C . THR B 136 ? 0.6980 0.9890 0.8529 0.1493 0.0280 0.0137 814 THR A C 6188 O O . THR B 136 ? 0.7492 1.0369 0.9077 0.1557 0.0434 0.0025 814 THR A O 6189 C CB . THR B 136 ? 0.8504 1.1205 0.9708 0.1414 0.0100 -0.0068 814 THR A CB 6190 O OG1 . THR B 136 ? 0.9296 1.1938 1.0752 0.1443 0.0110 -0.0025 814 THR A OG1 6191 C CG2 . THR B 136 ? 0.9123 1.1772 1.0183 0.1430 0.0205 -0.0265 814 THR A CG2 6192 N N . VAL B 137 ? 0.6446 0.9443 0.8200 0.1478 0.0227 0.0327 815 VAL A N 6193 C CA . VAL B 137 ? 0.6476 0.9574 0.8548 0.1547 0.0340 0.0439 815 VAL A CA 6194 C C . VAL B 137 ? 0.6492 0.9512 0.8771 0.1555 0.0295 0.0476 815 VAL A C 6195 O O . VAL B 137 ? 0.6542 0.9508 0.8764 0.1477 0.0141 0.0520 815 VAL A O 6196 C CB . VAL B 137 ? 0.6439 0.9746 0.8616 0.1512 0.0318 0.0656 815 VAL A CB 6197 C CG1 . VAL B 137 ? 0.6227 0.9533 0.8346 0.1395 0.0129 0.0786 815 VAL A CG1 6198 C CG2 . VAL B 137 ? 0.6819 1.0269 0.9354 0.1594 0.0446 0.0793 815 VAL A CG2 6199 N N . LYS B 138 ? 0.6373 0.9371 0.8884 0.1652 0.0441 0.0455 816 LYS A N 6200 C CA . LYS B 138 ? 0.6000 0.8919 0.8723 0.1673 0.0422 0.0483 816 LYS A CA 6201 C C . LYS B 138 ? 0.5821 0.8927 0.8879 0.1684 0.0413 0.0739 816 LYS A C 6202 O O . LYS B 138 ? 0.5957 0.9246 0.9164 0.1725 0.0501 0.0869 816 LYS A O 6203 C CB . LYS B 138 ? 0.6682 0.9441 0.9464 0.1770 0.0595 0.0314 816 LYS A CB 6204 C CG . LYS B 138 ? 0.7709 1.0254 1.0248 0.1727 0.0539 0.0097 816 LYS A CG 6205 C CD . LYS B 138 ? 0.8808 1.1349 1.0994 0.1658 0.0474 -0.0021 816 LYS A CD 6206 C CE . LYS B 138 ? 0.9507 1.1874 1.1473 0.1613 0.0426 -0.0223 816 LYS A CE 6207 N NZ . LYS B 138 ? 0.9911 1.2124 1.1892 0.1665 0.0598 -0.0391 816 LYS A NZ 6208 N N . ALA B 139 ? 0.5438 0.8512 0.8620 0.1642 0.0304 0.0819 817 ALA A N 6209 C CA . ALA B 139 ? 0.5175 0.8441 0.8675 0.1630 0.0271 0.1076 817 ALA A CA 6210 C C . ALA B 139 ? 0.5253 0.8411 0.8925 0.1650 0.0249 0.1078 817 ALA A C 6211 O O . ALA B 139 ? 0.5563 0.8628 0.9107 0.1554 0.0096 0.1060 817 ALA A O 6212 C CB . ALA B 139 ? 0.4913 0.8302 0.8302 0.1482 0.0092 0.1231 817 ALA A CB 6213 N N . LYS B 140 ? 0.4944 0.8109 0.8905 0.1778 0.0413 0.1106 818 LYS A N 6214 C CA . LYS B 140 ? 0.5266 0.8312 0.9404 0.1817 0.0424 0.1099 818 LYS A CA 6215 C C . LYS B 140 ? 0.5544 0.8813 1.0025 0.1796 0.0362 0.1394 818 LYS A C 6216 O O . LYS B 140 ? 0.5641 0.9098 1.0434 0.1888 0.0485 0.1568 818 LYS A O 6217 C CB . LYS B 140 ? 0.5636 0.8522 0.9874 0.1966 0.0655 0.0953 818 LYS A CB 6218 C CG . LYS B 140 ? 0.6119 0.8846 1.0526 0.2012 0.0686 0.0927 818 LYS A CG 6219 C CD . LYS B 140 ? 0.6435 0.8972 1.0917 0.2153 0.0939 0.0778 818 LYS A CD 6220 C CE . LYS B 140 ? 0.6295 0.8637 1.0919 0.2192 0.0976 0.0736 818 LYS A CE 6221 N NZ . LYS B 140 ? 0.6195 0.8303 1.0852 0.2316 0.1237 0.0573 818 LYS A NZ 6222 N N . VAL B 141 ? 0.5771 0.9032 1.0197 0.1671 0.0174 0.1461 819 VAL A N 6223 C CA . VAL B 141 ? 0.5941 0.9398 1.0671 0.1629 0.0098 0.1733 819 VAL A CA 6224 C C . VAL B 141 ? 0.6546 0.9874 1.1495 0.1721 0.0173 0.1708 819 VAL A C 6225 O O . VAL B 141 ? 0.6665 0.9764 1.1434 0.1687 0.0114 0.1538 819 VAL A O 6226 C CB . VAL B 141 ? 0.5528 0.9031 1.0067 0.1430 -0.0133 0.1824 819 VAL A CB 6227 C CG1 . VAL B 141 ? 0.5629 0.9332 1.0079 0.1337 -0.0193 0.1952 819 VAL A CG1 6228 C CG2 . VAL B 141 ? 0.5763 0.8989 0.9932 0.1366 -0.0220 0.1582 819 VAL A CG2 6229 N N . PHE B 142 ? 0.8350 1.0378 0.7372 0.2333 0.1719 0.0462 820 PHE A N 6230 C CA . PHE B 142 ? 0.8804 1.0708 0.7736 0.2424 0.1651 0.0370 820 PHE A CA 6231 C C . PHE B 142 ? 0.8205 1.0246 0.7320 0.2463 0.1661 0.0362 820 PHE A C 6232 O O . PHE B 142 ? 0.7832 1.0085 0.7081 0.2478 0.1752 0.0413 820 PHE A O 6233 C CB . PHE B 142 ? 0.9745 1.1575 0.8442 0.2549 0.1690 0.0320 820 PHE A CB 6234 C CG . PHE B 142 ? 1.0474 1.2235 0.9107 0.2669 0.1660 0.0233 820 PHE A CG 6235 C CD1 . PHE B 142 ? 1.0667 1.2214 0.9208 0.2673 0.1546 0.0156 820 PHE A CD1 6236 C CD2 . PHE B 142 ? 1.0740 1.2646 0.9400 0.2782 0.1750 0.0229 820 PHE A CD2 6237 C CE1 . PHE B 142 ? 1.0869 1.2335 0.9344 0.2783 0.1519 0.0077 820 PHE A CE1 6238 C CE2 . PHE B 142 ? 1.0859 1.2690 0.9453 0.2900 0.1723 0.0148 820 PHE A CE2 6239 C CZ . PHE B 142 ? 1.0873 1.2476 0.9370 0.2900 0.1607 0.0072 820 PHE A CZ 6240 N N . LYS B 143 ? 0.7477 0.9398 0.6599 0.2478 0.1566 0.0301 821 LYS A N 6241 C CA . LYS B 143 ? 0.6824 0.8844 0.6093 0.2529 0.1560 0.0285 821 LYS A CA 6242 C C . LYS B 143 ? 0.6393 0.8248 0.5511 0.2646 0.1511 0.0194 821 LYS A C 6243 O O . LYS B 143 ? 0.7526 0.9165 0.6521 0.2623 0.1423 0.0145 821 LYS A O 6244 C CB . LYS B 143 ? 0.6779 0.8816 0.6229 0.2418 0.1486 0.0311 821 LYS A CB 6245 C CG . LYS B 143 ? 0.7122 0.9379 0.6798 0.2427 0.1518 0.0345 821 LYS A CG 6246 C CD . LYS B 143 ? 0.7639 0.9925 0.7483 0.2299 0.1454 0.0381 821 LYS A CD 6247 C CE . LYS B 143 ? 0.8317 1.0837 0.8393 0.2303 0.1481 0.0415 821 LYS A CE 6248 N NZ . LYS B 143 ? 0.8674 1.1219 0.8902 0.2180 0.1415 0.0445 821 LYS A NZ 6249 N N . ASP B 144 ? 0.6037 0.7989 0.5166 0.2771 0.1568 0.0172 822 ASP A N 6250 C CA . ASP B 144 ? 0.7018 0.8803 0.5987 0.2894 0.1531 0.0083 822 ASP A CA 6251 C C . ASP B 144 ? 0.7048 0.8752 0.6099 0.2904 0.1443 0.0048 822 ASP A C 6252 O O . ASP B 144 ? 0.6835 0.8329 0.5742 0.2962 0.1379 -0.0025 822 ASP A O 6253 C CB . ASP B 144 ? 0.7924 0.9830 0.6844 0.3040 0.1634 0.0067 822 ASP A CB 6254 C CG . ASP B 144 ? 0.8697 1.0898 0.7849 0.3045 0.1721 0.0135 822 ASP A CG 6255 O OD1 . ASP B 144 ? 0.9265 1.1562 0.8616 0.2943 0.1687 0.0184 822 ASP A OD1 6256 O OD2 . ASP B 144 ? 0.8754 1.1094 0.7890 0.3150 0.1823 0.0139 822 ASP A OD2 6257 N N . VAL B 145 ? 0.6718 0.8579 0.5990 0.2849 0.1437 0.0099 823 VAL A N 6258 C CA . VAL B 145 ? 0.6416 0.8212 0.5768 0.2858 0.1354 0.0077 823 VAL A CA 6259 C C . VAL B 145 ? 0.6094 0.7960 0.5618 0.2714 0.1310 0.0136 823 VAL A C 6260 O O . VAL B 145 ? 0.6528 0.8619 0.6224 0.2668 0.1364 0.0198 823 VAL A O 6261 C CB . VAL B 145 ? 0.6409 0.8351 0.5858 0.2986 0.1395 0.0067 823 VAL A CB 6262 C CG1 . VAL B 145 ? 0.5402 0.7274 0.4932 0.2990 0.1306 0.0053 823 VAL A CG1 6263 C CG2 . VAL B 145 ? 0.7751 0.9610 0.7020 0.3137 0.1439 0.0003 823 VAL A CG2 6264 N N . PHE B 146 ? 0.5442 0.7120 0.4923 0.2644 0.1214 0.0117 824 PHE A N 6265 C CA . PHE B 146 ? 0.5869 0.7604 0.5496 0.2510 0.1174 0.0170 824 PHE A CA 6266 C C . PHE B 146 ? 0.6185 0.7731 0.5784 0.2475 0.1070 0.0141 824 PHE A C 6267 O O . PHE B 146 ? 0.6489 0.7821 0.5929 0.2513 0.1026 0.0086 824 PHE A O 6268 C CB . PHE B 146 ? 0.5481 0.7220 0.5081 0.2400 0.1198 0.0208 824 PHE A CB 6269 C CG . PHE B 146 ? 0.5787 0.7295 0.5187 0.2384 0.1155 0.0164 824 PHE A CG 6270 C CD1 . PHE B 146 ? 0.6080 0.7534 0.5314 0.2463 0.1199 0.0130 824 PHE A CD1 6271 C CD2 . PHE B 146 ? 0.5592 0.6946 0.4973 0.2292 0.1071 0.0157 824 PHE A CD2 6272 C CE1 . PHE B 146 ? 0.5935 0.7187 0.4992 0.2448 0.1152 0.0086 824 PHE A CE1 6273 C CE2 . PHE B 146 ? 0.5996 0.7156 0.5212 0.2276 0.1030 0.0117 824 PHE A CE2 6274 C CZ . PHE B 146 ? 0.6021 0.7130 0.5076 0.2352 0.1066 0.0080 824 PHE A CZ 6275 N N . LEU B 147 ? 0.6004 0.7627 0.5755 0.2402 0.1032 0.0180 825 LEU A N 6276 C CA . LEU B 147 ? 0.5301 0.6764 0.5038 0.2362 0.0940 0.0165 825 LEU A CA 6277 C C . LEU B 147 ? 0.4952 0.6346 0.4690 0.2222 0.0904 0.0191 825 LEU A C 6278 O O . LEU B 147 ? 0.5516 0.7049 0.5351 0.2143 0.0939 0.0238 825 LEU A O 6279 C CB . LEU B 147 ? 0.5445 0.7030 0.5336 0.2387 0.0914 0.0187 825 LEU A CB 6280 C CG . LEU B 147 ? 0.5132 0.6615 0.5053 0.2314 0.0828 0.0197 825 LEU A CG 6281 C CD1 . LEU B 147 ? 0.4692 0.5922 0.4465 0.2363 0.0769 0.0150 825 LEU A CD1 6282 C CD2 . LEU B 147 ? 0.4882 0.6547 0.4977 0.2326 0.0814 0.0230 825 LEU A CD2 6283 N N . GLU B 148 ? 0.5204 0.6382 0.4838 0.2190 0.0837 0.0160 826 GLU A N 6284 C CA . GLU B 148 ? 0.5717 0.6833 0.5375 0.2064 0.0793 0.0185 826 GLU A CA 6285 C C . GLU B 148 ? 0.6100 0.7072 0.5745 0.2052 0.0716 0.0171 826 GLU A C 6286 O O . GLU B 148 ? 0.5846 0.6687 0.5405 0.2130 0.0690 0.0131 826 GLU A O 6287 C CB . GLU B 148 ? 0.5792 0.6795 0.5330 0.2014 0.0795 0.0171 826 GLU A CB 6288 C CG . GLU B 148 ? 0.6778 0.7579 0.6149 0.2069 0.0765 0.0109 826 GLU A CG 6289 C CD . GLU B 148 ? 0.7687 0.8388 0.6960 0.2005 0.0753 0.0098 826 GLU A CD 6290 O OE1 . GLU B 148 ? 0.8775 0.9318 0.8000 0.1954 0.0692 0.0077 826 GLU A OE1 6291 O OE2 . GLU B 148 ? 0.6895 0.7682 0.6144 0.2005 0.0805 0.0114 826 GLU A OE2 6292 N N . MET B 149 ? 0.5993 0.6987 0.5721 0.1955 0.0683 0.0207 827 MET A N 6293 C CA . MET B 149 ? 0.5293 0.6167 0.5015 0.1933 0.0617 0.0205 827 MET A CA 6294 C C . MET B 149 ? 0.5472 0.6224 0.5152 0.1824 0.0584 0.0210 827 MET A C 6295 O O . MET B 149 ? 0.5880 0.6704 0.5600 0.1748 0.0606 0.0235 827 MET A O 6296 C CB . MET B 149 ? 0.4271 0.5292 0.4134 0.1926 0.0602 0.0241 827 MET A CB 6297 C CG . MET B 149 ? 0.4939 0.6087 0.4861 0.2038 0.0624 0.0237 827 MET A CG 6298 S SD . MET B 149 ? 0.5740 0.6697 0.5547 0.2154 0.0582 0.0196 827 MET A SD 6299 C CE . MET B 149 ? 0.5869 0.6701 0.5674 0.2078 0.0506 0.0218 827 MET A CE 6300 N N . ASN B 150 ? 0.5235 0.5801 0.4835 0.1819 0.0534 0.0189 828 ASN A N 6301 C CA . ASN B 150 ? 0.5843 0.6290 0.5406 0.1722 0.0503 0.0192 828 ASN A CA 6302 C C . ASN B 150 ? 0.6443 0.6889 0.6069 0.1674 0.0466 0.0224 828 ASN A C 6303 O O . ASN B 150 ? 0.7311 0.7648 0.6900 0.1707 0.0430 0.0217 828 ASN A O 6304 C CB . ASN B 150 ? 0.7057 0.7300 0.6493 0.1740 0.0475 0.0147 828 ASN A CB 6305 C CG . ASN B 150 ? 0.8124 0.8361 0.7483 0.1792 0.0506 0.0109 828 ASN A CG 6306 O OD1 . ASN B 150 ? 0.9039 0.9383 0.8417 0.1768 0.0543 0.0123 828 ASN A OD1 6307 N ND2 . ASN B 150 ? 0.8257 0.8359 0.7518 0.1866 0.0490 0.0062 828 ASN A ND2 6308 N N . ILE B 151 ? 0.5858 0.6415 0.5569 0.1599 0.0474 0.0258 829 ILE A N 6309 C CA . ILE B 151 ? 0.5992 0.6561 0.5759 0.1550 0.0440 0.0286 829 ILE A CA 6310 C C . ILE B 151 ? 0.5932 0.6381 0.5656 0.1461 0.0420 0.0290 829 ILE A C 6311 O O . ILE B 151 ? 0.5991 0.6459 0.5717 0.1407 0.0441 0.0291 829 ILE A O 6312 C CB . ILE B 151 ? 0.5536 0.6304 0.5429 0.1522 0.0457 0.0318 829 ILE A CB 6313 C CG1 . ILE B 151 ? 0.5012 0.5919 0.4964 0.1612 0.0482 0.0315 829 ILE A CG1 6314 C CG2 . ILE B 151 ? 0.5407 0.6179 0.5342 0.1474 0.0415 0.0340 829 ILE A CG2 6315 C CD1 . ILE B 151 ? 0.5141 0.5989 0.5060 0.1701 0.0450 0.0303 829 ILE A CD1 6316 N N . PRO B 152 ? 0.5391 0.5719 0.5075 0.1446 0.0382 0.0293 830 PRO A N 6317 C CA . PRO B 152 ? 0.5325 0.5550 0.4976 0.1364 0.0369 0.0298 830 PRO A CA 6318 C C . PRO B 152 ? 0.4972 0.5296 0.4695 0.1287 0.0376 0.0325 830 PRO A C 6319 O O . PRO B 152 ? 0.4749 0.5208 0.4548 0.1290 0.0380 0.0343 830 PRO A O 6320 C CB . PRO B 152 ? 0.5534 0.5624 0.5132 0.1376 0.0334 0.0303 830 PRO A CB 6321 C CG . PRO B 152 ? 0.5865 0.6032 0.5497 0.1447 0.0323 0.0315 830 PRO A CG 6322 C CD . PRO B 152 ? 0.5591 0.5868 0.5255 0.1509 0.0352 0.0297 830 PRO A CD 6323 N N . TYR B 153 ? 0.4819 0.5073 0.4518 0.1217 0.0375 0.0326 831 TYR A N 6324 C CA . TYR B 153 ? 0.5507 0.5831 0.5262 0.1145 0.0382 0.0348 831 TYR A CA 6325 C C . TYR B 153 ? 0.5520 0.5870 0.5304 0.1133 0.0357 0.0368 831 TYR A C 6326 O O . TYR B 153 ? 0.5566 0.6036 0.5421 0.1114 0.0360 0.0382 831 TYR A O 6327 C CB . TYR B 153 ? 0.5907 0.6141 0.5628 0.1084 0.0384 0.0344 831 TYR A CB 6328 C CG . TYR B 153 ? 0.6724 0.7007 0.6491 0.1015 0.0390 0.0364 831 TYR A CG 6329 C CD1 . TYR B 153 ? 0.6876 0.7255 0.6691 0.0991 0.0415 0.0373 831 TYR A CD1 6330 C CD2 . TYR B 153 ? 0.7277 0.7501 0.7031 0.0976 0.0373 0.0375 831 TYR A CD2 6331 C CE1 . TYR B 153 ? 0.6896 0.7303 0.6747 0.0930 0.0420 0.0389 831 TYR A CE1 6332 C CE2 . TYR B 153 ? 0.7200 0.7459 0.6987 0.0918 0.0379 0.0388 831 TYR A CE2 6333 C CZ . TYR B 153 ? 0.7363 0.7710 0.7199 0.0896 0.0400 0.0394 831 TYR A CZ 6334 O OH . TYR B 153 ? 0.7993 0.8358 0.7856 0.0840 0.0405 0.0405 831 TYR A OH 6335 N N . SER B 154 ? 0.5462 0.5698 0.5189 0.1141 0.0332 0.0371 832 SER A N 6336 C CA . SER B 154 ? 0.5502 0.5749 0.5234 0.1137 0.0305 0.0391 832 SER A CA 6337 C C . SER B 154 ? 0.5291 0.5439 0.4959 0.1198 0.0282 0.0393 832 SER A C 6338 O O . SER B 154 ? 0.5076 0.5114 0.4688 0.1224 0.0286 0.0379 832 SER A O 6339 C CB . SER B 154 ? 0.5845 0.6042 0.5560 0.1063 0.0304 0.0402 832 SER A CB 6340 O OG . SER B 154 ? 0.6664 0.6721 0.6313 0.1046 0.0308 0.0399 832 SER A OG 6341 N N . VAL B 155 ? 0.5526 0.5711 0.5201 0.1221 0.0253 0.0410 833 VAL A N 6342 C CA . VAL B 155 ? 0.5558 0.5653 0.5168 0.1284 0.0226 0.0421 833 VAL A CA 6343 C C . VAL B 155 ? 0.6065 0.6147 0.5648 0.1261 0.0198 0.0446 833 VAL A C 6344 O O . VAL B 155 ? 0.6344 0.6549 0.5986 0.1237 0.0185 0.0449 833 VAL A O 6345 C CB . VAL B 155 ? 0.5361 0.5547 0.5011 0.1373 0.0216 0.0414 833 VAL A CB 6346 C CG1 . VAL B 155 ? 0.5769 0.5904 0.5372 0.1437 0.0178 0.0433 833 VAL A CG1 6347 C CG2 . VAL B 155 ? 0.5614 0.5750 0.5244 0.1413 0.0242 0.0388 833 VAL A CG2 6348 N N . VAL B 156 ? 0.6227 0.6157 0.5717 0.1265 0.0190 0.0464 834 VAL A N 6349 C CA . VAL B 156 ? 0.5690 0.5592 0.5130 0.1249 0.0166 0.0490 834 VAL A CA 6350 C C . VAL B 156 ? 0.5836 0.5790 0.5271 0.1327 0.0123 0.0502 834 VAL A C 6351 O O . VAL B 156 ? 0.6238 0.6152 0.5654 0.1402 0.0115 0.0503 834 VAL A O 6352 C CB . VAL B 156 ? 0.5069 0.4789 0.4409 0.1224 0.0181 0.0510 834 VAL A CB 6353 C CG1 . VAL B 156 ? 0.5117 0.4816 0.4400 0.1199 0.0166 0.0537 834 VAL A CG1 6354 C CG2 . VAL B 156 ? 0.4219 0.3894 0.3578 0.1158 0.0220 0.0494 834 VAL A CG2 6355 N N . ARG B 157 ? 0.5853 0.5895 0.5303 0.1314 0.0092 0.0511 835 ARG A N 6356 C CA . ARG B 157 ? 0.5350 0.5459 0.4803 0.1387 0.0042 0.0522 835 ARG A CA 6357 C C . ARG B 157 ? 0.5382 0.5332 0.4718 0.1453 0.0028 0.0551 835 ARG A C 6358 O O . ARG B 157 ? 0.4547 0.4344 0.3783 0.1422 0.0043 0.0572 835 ARG A O 6359 C CB . ARG B 157 ? 0.5146 0.5344 0.4608 0.1352 0.0006 0.0524 835 ARG A CB 6360 C CG . ARG B 157 ? 0.5726 0.5995 0.5185 0.1428 -0.0056 0.0536 835 ARG A CG 6361 C CD . ARG B 157 ? 0.6049 0.6384 0.5497 0.1391 -0.0099 0.0534 835 ARG A CD 6362 N NE . ARG B 157 ? 0.6283 0.6471 0.5605 0.1344 -0.0084 0.0551 835 ARG A NE 6363 C CZ . ARG B 157 ? 0.5894 0.6104 0.5178 0.1306 -0.0112 0.0546 835 ARG A CZ 6364 N NH1 . ARG B 157 ? 0.5106 0.5474 0.4471 0.1302 -0.0163 0.0524 835 ARG A NH1 6365 N NH2 . ARG B 157 ? 0.6097 0.6171 0.5262 0.1270 -0.0089 0.0562 835 ARG A NH2 6366 N N . GLY B 158 ? 0.5919 0.5904 0.5271 0.1545 0.0000 0.0553 836 GLY A N 6367 C CA . GLY B 158 ? 0.5586 0.5418 0.4830 0.1620 -0.0016 0.0582 836 GLY A CA 6368 C C . GLY B 158 ? 0.5132 0.4839 0.4351 0.1653 0.0017 0.0572 836 GLY A C 6369 O O . GLY B 158 ? 0.5133 0.4729 0.4281 0.1733 0.0000 0.0590 836 GLY A O 6370 N N . GLU B 159 ? 0.4957 0.4673 0.4226 0.1596 0.0059 0.0543 837 GLU A N 6371 C CA . GLU B 159 ? 0.5488 0.5080 0.4727 0.1622 0.0086 0.0526 837 GLU A CA 6372 C C . GLU B 159 ? 0.5391 0.5077 0.4688 0.1716 0.0077 0.0503 837 GLU A C 6373 O O . GLU B 159 ? 0.5784 0.5666 0.5186 0.1725 0.0074 0.0488 837 GLU A O 6374 C CB . GLU B 159 ? 0.5444 0.5024 0.4714 0.1534 0.0128 0.0500 837 GLU A CB 6375 C CG . GLU B 159 ? 0.5930 0.5403 0.5145 0.1446 0.0144 0.0521 837 GLU A CG 6376 C CD . GLU B 159 ? 0.7005 0.6483 0.6262 0.1367 0.0180 0.0494 837 GLU A CD 6377 O OE1 . GLU B 159 ? 0.7269 0.6885 0.6609 0.1359 0.0190 0.0467 837 GLU A OE1 6378 O OE2 . GLU B 159 ? 0.7145 0.6493 0.6354 0.1313 0.0200 0.0503 837 GLU A OE2 6379 N N . GLN B 160 ? 0.5000 0.4541 0.4227 0.1789 0.0076 0.0501 838 GLN A N 6380 C CA . GLN B 160 ? 0.5686 0.5293 0.4955 0.1886 0.0076 0.0475 838 GLN A CA 6381 C C . GLN B 160 ? 0.5813 0.5399 0.5100 0.1858 0.0117 0.0432 838 GLN A C 6382 O O . GLN B 160 ? 0.5819 0.5218 0.5027 0.1841 0.0129 0.0422 838 GLN A O 6383 C CB . GLN B 160 ? 0.6172 0.5627 0.5350 0.1990 0.0050 0.0493 838 GLN A CB 6384 C CG . GLN B 160 ? 0.7007 0.6588 0.6244 0.2108 0.0036 0.0478 838 GLN A CG 6385 C CD . GLN B 160 ? 0.7652 0.7074 0.6795 0.2218 0.0010 0.0495 838 GLN A CD 6386 O OE1 . GLN B 160 ? 0.8403 0.7909 0.7566 0.2305 -0.0027 0.0516 838 GLN A OE1 6387 N NE2 . GLN B 160 ? 0.7674 0.6861 0.6714 0.2216 0.0026 0.0487 838 GLN A NE2 6388 N N . ILE B 161 ? 0.5671 0.5448 0.5062 0.1852 0.0137 0.0408 839 ILE A N 6389 C CA . ILE B 161 ? 0.4697 0.4485 0.4106 0.1817 0.0176 0.0371 839 ILE A CA 6390 C C . ILE B 161 ? 0.5344 0.5170 0.4765 0.1921 0.0190 0.0340 839 ILE A C 6391 O O . ILE B 161 ? 0.4763 0.4737 0.4251 0.1995 0.0183 0.0345 839 ILE A O 6392 C CB . ILE B 161 ? 0.5341 0.5306 0.4848 0.1734 0.0196 0.0371 839 ILE A CB 6393 C CG1 . ILE B 161 ? 0.5954 0.5885 0.5447 0.1644 0.0181 0.0400 839 ILE A CG1 6394 C CG2 . ILE B 161 ? 0.5661 0.5620 0.5170 0.1696 0.0235 0.0338 839 ILE A CG2 6395 C CD1 . ILE B 161 ? 0.6961 0.6688 0.6360 0.1592 0.0187 0.0401 839 ILE A CD1 6396 N N . GLN B 162 ? 0.4834 0.4532 0.4190 0.1927 0.0210 0.0304 840 GLN A N 6397 C CA . GLN B 162 ? 0.5910 0.5644 0.5266 0.2016 0.0233 0.0265 840 GLN A CA 6398 C C . GLN B 162 ? 0.5976 0.5848 0.5392 0.1964 0.0273 0.0244 840 GLN A C 6399 O O . GLN B 162 ? 0.6565 0.6352 0.5940 0.1891 0.0283 0.0227 840 GLN A O 6400 C CB . GLN B 162 ? 0.6015 0.5513 0.5251 0.2059 0.0227 0.0234 840 GLN A CB 6401 C CG . GLN B 162 ? 0.6864 0.6378 0.6079 0.2147 0.0252 0.0185 840 GLN A CG 6402 C CD . GLN B 162 ? 0.7995 0.7270 0.7090 0.2152 0.0246 0.0142 840 GLN A CD 6403 O OE1 . GLN B 162 ? 0.7988 0.7141 0.7045 0.2057 0.0236 0.0141 840 GLN A OE1 6404 N NE2 . GLN B 162 ? 0.8563 0.7773 0.7601 0.2264 0.0252 0.0104 840 GLN A NE2 6405 N N . LEU B 163 ? 0.5514 0.5600 0.5028 0.2002 0.0295 0.0248 841 LEU A N 6406 C CA . LEU B 163 ? 0.5755 0.5980 0.5325 0.1963 0.0339 0.0235 841 LEU A CA 6407 C C . LEU B 163 ? 0.6373 0.6569 0.5889 0.2048 0.0370 0.0192 841 LEU A C 6408 O O . LEU B 163 ? 0.6517 0.6779 0.6053 0.2154 0.0379 0.0184 841 LEU A O 6409 C CB . LEU B 163 ? 0.5132 0.5604 0.4842 0.1952 0.0352 0.0264 841 LEU A CB 6410 C CG . LEU B 163 ? 0.5137 0.5645 0.4897 0.1866 0.0319 0.0300 841 LEU A CG 6411 C CD1 . LEU B 163 ? 0.4967 0.5716 0.4869 0.1855 0.0328 0.0322 841 LEU A CD1 6412 C CD2 . LEU B 163 ? 0.5253 0.5671 0.4973 0.1755 0.0326 0.0300 841 LEU A CD2 6413 N N . LYS B 164 ? 0.6569 0.6666 0.6012 0.2006 0.0384 0.0162 842 LYS A N 6414 C CA . LYS B 164 ? 0.6279 0.6323 0.5645 0.2080 0.0410 0.0114 842 LYS A CA 6415 C C . LYS B 164 ? 0.5778 0.6005 0.5197 0.2076 0.0463 0.0112 842 LYS A C 6416 O O . LYS B 164 ? 0.5648 0.5976 0.5131 0.1987 0.0476 0.0139 842 LYS A O 6417 C CB . LYS B 164 ? 0.6352 0.6173 0.5600 0.2039 0.0387 0.0077 842 LYS A CB 6418 C CG . LYS B 164 ? 0.7194 0.6803 0.6370 0.2052 0.0342 0.0073 842 LYS A CG 6419 C CD . LYS B 164 ? 0.8240 0.7645 0.7313 0.2007 0.0322 0.0031 842 LYS A CD 6420 C CE . LYS B 164 ? 0.9611 0.8791 0.8610 0.2019 0.0283 0.0027 842 LYS A CE 6421 N NZ . LYS B 164 ? 1.0220 0.9203 0.9130 0.1972 0.0261 -0.0018 842 LYS A NZ 6422 N N . GLY B 165 ? 0.5613 0.5875 0.4998 0.2178 0.0497 0.0081 843 GLY A N 6423 C CA . GLY B 165 ? 0.5878 0.6306 0.5298 0.2189 0.0556 0.0080 843 GLY A CA 6424 C C . GLY B 165 ? 0.6651 0.7011 0.5962 0.2296 0.0583 0.0027 843 GLY A C 6425 O O . GLY B 165 ? 0.7039 0.7223 0.6256 0.2360 0.0552 -0.0011 843 GLY A O 6426 N N . THR B 166 ? 0.6407 0.6901 0.5725 0.2315 0.0642 0.0025 844 THR A N 6427 C CA . THR B 166 ? 0.5860 0.6305 0.5063 0.2417 0.0676 -0.0027 844 THR A CA 6428 C C . THR B 166 ? 0.5509 0.6192 0.4790 0.2470 0.0755 -0.0005 844 THR A C 6429 O O . THR B 166 ? 0.5252 0.6090 0.4623 0.2393 0.0787 0.0041 844 THR A O 6430 C CB . THR B 166 ? 0.6429 0.6723 0.5498 0.2369 0.0661 -0.0066 844 THR A CB 6431 O OG1 . THR B 166 ? 0.6767 0.6847 0.5776 0.2317 0.0591 -0.0087 844 THR A OG1 6432 C CG2 . THR B 166 ? 0.6980 0.7221 0.5915 0.2477 0.0694 -0.0125 844 THR A CG2 6433 N N . VAL B 167 ? 0.5856 0.6564 0.5102 0.2602 0.0789 -0.0036 845 VAL A N 6434 C CA . VAL B 167 ? 0.6274 0.7188 0.5563 0.2667 0.0874 -0.0024 845 VAL A CA 6435 C C . VAL B 167 ? 0.6159 0.6963 0.5269 0.2725 0.0904 -0.0080 845 VAL A C 6436 O O . VAL B 167 ? 0.5568 0.6175 0.4541 0.2797 0.0870 -0.0142 845 VAL A O 6437 C CB . VAL B 167 ? 0.6071 0.7128 0.5461 0.2782 0.0901 -0.0017 845 VAL A CB 6438 C CG1 . VAL B 167 ? 0.6251 0.7457 0.5828 0.2717 0.0875 0.0042 845 VAL A CG1 6439 C CG2 . VAL B 167 ? 0.6608 0.7471 0.5885 0.2893 0.0862 -0.0073 845 VAL A CG2 6440 N N . TYR B 168 ? 0.5647 0.6571 0.4753 0.2693 0.0964 -0.0057 846 TYR A N 6441 C CA . TYR B 168 ? 0.5509 0.6350 0.4442 0.2739 0.0994 -0.0103 846 TYR A CA 6442 C C . TYR B 168 ? 0.5813 0.6818 0.4746 0.2859 0.1088 -0.0105 846 TYR A C 6443 O O . TYR B 168 ? 0.5897 0.7139 0.4982 0.2846 0.1152 -0.0045 846 TYR A O 6444 C CB . TYR B 168 ? 0.5417 0.6267 0.4324 0.2625 0.0999 -0.0073 846 TYR A CB 6445 C CG . TYR B 168 ? 0.6821 0.7508 0.5712 0.2511 0.0912 -0.0077 846 TYR A CG 6446 C CD1 . TYR B 168 ? 0.6623 0.7375 0.5664 0.2408 0.0884 -0.0022 846 TYR A CD1 6447 C CD2 . TYR B 168 ? 0.6953 0.7423 0.5679 0.2508 0.0858 -0.0138 846 TYR A CD2 6448 C CE1 . TYR B 168 ? 0.6469 0.7079 0.5494 0.2309 0.0813 -0.0025 846 TYR A CE1 6449 C CE2 . TYR B 168 ? 0.6873 0.7209 0.5598 0.2403 0.0784 -0.0140 846 TYR A CE2 6450 C CZ . TYR B 168 ? 0.7124 0.7532 0.5997 0.2306 0.0765 -0.0081 846 TYR A CZ 6451 O OH . TYR B 168 ? 0.8150 0.8430 0.7022 0.2207 0.0698 -0.0082 846 TYR A OH 6452 N N . ASN B 169 ? 0.6212 0.7089 0.4973 0.2973 0.1098 -0.0175 847 ASN A N 6453 C CA . ASN B 169 ? 0.7065 0.8072 0.5789 0.3101 0.1191 -0.0187 847 ASN A CA 6454 C C . ASN B 169 ? 0.7935 0.8823 0.6441 0.3132 0.1210 -0.0237 847 ASN A C 6455 O O . ASN B 169 ? 0.8538 0.9205 0.6872 0.3193 0.1161 -0.0317 847 ASN A O 6456 C CB . ASN B 169 ? 0.6996 0.7972 0.5722 0.3239 0.1189 -0.0230 847 ASN A CB 6457 C CG . ASN B 169 ? 0.7753 0.8866 0.6440 0.3380 0.1289 -0.0246 847 ASN A CG 6458 O OD1 . ASN B 169 ? 0.7928 0.9225 0.6649 0.3365 0.1373 -0.0202 847 ASN A OD1 6459 N ND2 . ASN B 169 ? 0.8169 0.9189 0.6781 0.3521 0.1285 -0.0306 847 ASN A ND2 6460 N N . TYR B 170 ? 0.7583 0.8611 0.6090 0.3091 0.1278 -0.0191 848 TYR A N 6461 C CA . TYR B 170 ? 0.7707 0.8643 0.6003 0.3123 0.1299 -0.0230 848 TYR A CA 6462 C C . TYR B 170 ? 0.8133 0.9162 0.6340 0.3272 0.1397 -0.0254 848 TYR A C 6463 O O . TYR B 170 ? 0.8344 0.9284 0.6349 0.3322 0.1416 -0.0298 848 TYR A O 6464 C CB . TYR B 170 ? 0.7442 0.8456 0.5762 0.3001 0.1317 -0.0165 848 TYR A CB 6465 C CG . TYR B 170 ? 0.8216 0.9082 0.6547 0.2870 0.1215 -0.0164 848 TYR A CG 6466 C CD1 . TYR B 170 ? 0.8798 0.9441 0.6947 0.2861 0.1141 -0.0231 848 TYR A CD1 6467 C CD2 . TYR B 170 ? 0.8538 0.9490 0.7064 0.2757 0.1190 -0.0100 848 TYR A CD2 6468 C CE1 . TYR B 170 ? 0.8933 0.9455 0.7104 0.2742 0.1051 -0.0229 848 TYR A CE1 6469 C CE2 . TYR B 170 ? 0.8578 0.9401 0.7113 0.2643 0.1103 -0.0099 848 TYR A CE2 6470 C CZ . TYR B 170 ? 0.9013 0.9626 0.7375 0.2636 0.1036 -0.0162 848 TYR A CZ 6471 O OH . TYR B 170 ? 0.9657 1.0156 0.8041 0.2524 0.0954 -0.0160 848 TYR A OH 6472 N N . ARG B 171 ? 0.7867 0.9074 0.6217 0.3347 0.1459 -0.0229 849 ARG A N 6473 C CA . ARG B 171 ? 0.8048 0.9333 0.6315 0.3504 0.1551 -0.0260 849 ARG A CA 6474 C C . ARG B 171 ? 0.8359 0.9392 0.6426 0.3618 0.1495 -0.0368 849 ARG A C 6475 O O . ARG B 171 ? 0.8315 0.9164 0.6380 0.3591 0.1395 -0.0407 849 ARG A O 6476 C CB . ARG B 171 ? 0.7990 0.9529 0.6482 0.3550 0.1618 -0.0208 849 ARG A CB 6477 C CG . ARG B 171 ? 0.8014 0.9808 0.6714 0.3441 0.1677 -0.0105 849 ARG A CG 6478 C CD . ARG B 171 ? 0.8382 1.0377 0.7339 0.3446 0.1686 -0.0061 849 ARG A CD 6479 N NE . ARG B 171 ? 0.8765 1.0929 0.7792 0.3518 0.1757 -0.0047 849 ARG A NE 6480 C CZ . ARG B 171 ? 0.9228 1.1664 0.8441 0.3473 0.1839 0.0031 849 ARG A CZ 6481 N NH1 . ARG B 171 ? 0.8961 1.1523 0.8305 0.3356 0.1859 0.0101 849 ARG A NH1 6482 N NH2 . ARG B 171 ? 0.9664 1.2244 0.8936 0.3544 0.1901 0.0037 849 ARG A NH2 6483 N N . THR B 172 ? 0.8847 0.9851 0.6756 0.3701 0.1537 -0.0407 850 THR A N 6484 C CA . THR B 172 ? 0.8772 0.9523 0.6480 0.3789 0.1476 -0.0509 850 THR A CA 6485 C C . THR B 172 ? 0.8570 0.9304 0.6366 0.3869 0.1455 -0.0532 850 THR A C 6486 O O . THR B 172 ? 0.8773 0.9270 0.6424 0.3932 0.1391 -0.0616 850 THR A O 6487 C CB . THR B 172 ? 0.8998 0.9727 0.6511 0.3850 0.1524 -0.0540 850 THR A CB 6488 O OG1 . THR B 172 ? 0.8844 0.9812 0.6470 0.3894 0.1625 -0.0483 850 THR A OG1 6489 C CG2 . THR B 172 ? 0.8950 0.9671 0.6354 0.3776 0.1534 -0.0520 850 THR A CG2 6490 N N . SER B 173 ? 0.8451 0.9422 0.6476 0.3865 0.1504 -0.0460 851 SER A N 6491 C CA . SER B 173 ? 0.8943 0.9922 0.7063 0.3943 0.1486 -0.0474 851 SER A CA 6492 C C . SER B 173 ? 0.8808 0.9833 0.7122 0.3885 0.1436 -0.0431 851 SER A C 6493 O O . SER B 173 ? 0.8344 0.9554 0.6819 0.3795 0.1463 -0.0358 851 SER A O 6494 C CB . SER B 173 ? 0.9110 1.0338 0.7337 0.4004 0.1582 -0.0431 851 SER A CB 6495 O OG . SER B 173 ? 0.9070 1.0572 0.7485 0.3920 0.1651 -0.0338 851 SER A OG 6496 N N . GLY B 174 ? 0.8836 0.9685 0.7129 0.3936 0.1362 -0.0477 852 GLY A N 6497 C CA . GLY B 174 ? 0.8642 0.9519 0.7105 0.3896 0.1309 -0.0438 852 GLY A CA 6498 C C . GLY B 174 ? 0.8542 0.9725 0.7250 0.3902 0.1362 -0.0363 852 GLY A C 6499 O O . GLY B 174 ? 0.8164 0.9519 0.6913 0.3955 0.1436 -0.0348 852 GLY A O 6500 N N . MET B 175 ? 0.8496 0.9750 0.7374 0.3846 0.1320 -0.0316 853 MET A N 6501 C CA . MET B 175 ? 0.8261 0.9819 0.7389 0.3835 0.1359 -0.0243 853 MET A CA 6502 C C . MET B 175 ? 0.7573 0.9117 0.6832 0.3813 0.1281 -0.0217 853 MET A C 6503 O O . MET B 175 ? 0.7315 0.8643 0.6492 0.3776 0.1208 -0.0239 853 MET A O 6504 C CB . MET B 175 ? 0.8297 1.0098 0.7542 0.3738 0.1433 -0.0176 853 MET A CB 6505 C CG . MET B 175 ? 0.8450 1.0157 0.7662 0.3618 0.1395 -0.0160 853 MET A CG 6506 S SD . MET B 175 ? 0.9143 1.1132 0.8518 0.3481 0.1471 -0.0069 853 MET A SD 6507 C CE . MET B 175 ? 0.9895 1.2020 0.9201 0.3578 0.1593 -0.0076 853 MET A CE 6508 N N . GLN B 176 ? 0.7148 0.8930 0.6615 0.3832 0.1296 -0.0169 854 GLN A N 6509 C CA . GLN B 176 ? 0.7118 0.8932 0.6729 0.3814 0.1225 -0.0136 854 GLN A CA 6510 C C . GLN B 176 ? 0.6767 0.8762 0.6544 0.3683 0.1229 -0.0069 854 GLN A C 6511 O O . GLN B 176 ? 0.7148 0.9317 0.6984 0.3616 0.1300 -0.0035 854 GLN A O 6512 C CB . GLN B 176 ? 0.6915 0.8899 0.6668 0.3898 0.1231 -0.0121 854 GLN A CB 6513 C CG . GLN B 176 ? 0.7287 0.9097 0.7013 0.3962 0.1139 -0.0140 854 GLN A CG 6514 C CD . GLN B 176 ? 0.7866 0.9849 0.7729 0.4052 0.1145 -0.0126 854 GLN A CD 6515 O OE1 . GLN B 176 ? 0.8074 1.0341 0.8093 0.4051 0.1212 -0.0093 854 GLN A OE1 6516 N NE2 . GLN B 176 ? 0.8855 1.0665 0.8661 0.4129 0.1074 -0.0148 854 GLN A NE2 6517 N N . PHE B 177 ? 0.6431 0.8355 0.6270 0.3608 0.1136 -0.0045 855 PHE A N 6518 C CA . PHE B 177 ? 0.6342 0.8377 0.6317 0.3439 0.1109 0.0015 855 PHE A CA 6519 C C . PHE B 177 ? 0.6077 0.8050 0.6120 0.3413 0.1010 0.0034 855 PHE A C 6520 O O . PHE B 177 ? 0.5634 0.7456 0.5603 0.3518 0.0964 0.0003 855 PHE A O 6521 C CB . PHE B 177 ? 0.6261 0.8126 0.6102 0.3309 0.1099 0.0009 855 PHE A CB 6522 C CG . PHE B 177 ? 0.6595 0.8144 0.6284 0.3270 0.1006 -0.0024 855 PHE A CG 6523 C CD1 . PHE B 177 ? 0.6808 0.8115 0.6307 0.3372 0.0988 -0.0091 855 PHE A CD1 6524 C CD2 . PHE B 177 ? 0.6486 0.7981 0.6223 0.3132 0.0937 0.0011 855 PHE A CD2 6525 C CE1 . PHE B 177 ? 0.7140 0.8159 0.6512 0.3328 0.0905 -0.0119 855 PHE A CE1 6526 C CE2 . PHE B 177 ? 0.6453 0.7669 0.6060 0.3094 0.0859 -0.0015 855 PHE A CE2 6527 C CZ . PHE B 177 ? 0.6705 0.7685 0.6134 0.3189 0.0843 -0.0078 855 PHE A CZ 6528 N N . CYS B 178 ? 0.5896 0.7976 0.6070 0.3273 0.0978 0.0086 856 CYS A N 6529 C CA . CYS B 178 ? 0.6392 0.8387 0.6602 0.3225 0.0881 0.0106 856 CYS A CA 6530 C C . CYS B 178 ? 0.6863 0.8925 0.7161 0.3049 0.0859 0.0152 856 CYS A C 6531 O O . CYS B 178 ? 0.6889 0.9189 0.7332 0.2991 0.0912 0.0187 856 CYS A O 6532 C CB . CYS B 178 ? 0.6809 0.8980 0.7170 0.3329 0.0859 0.0123 856 CYS A CB 6533 S SG . CYS B 178 ? 0.7243 0.9846 0.7896 0.3300 0.0912 0.0178 856 CYS A SG 6534 N N . VAL B 179 ? 0.6603 0.8449 0.6810 0.2965 0.0784 0.0151 857 VAL A N 6535 C CA . VAL B 179 ? 0.7032 0.8910 0.7306 0.2805 0.0753 0.0190 857 VAL A CA 6536 C C . VAL B 179 ? 0.6788 0.8707 0.7158 0.2796 0.0676 0.0217 857 VAL A C 6537 O O . VAL B 179 ? 0.6883 0.8645 0.7171 0.2871 0.0622 0.0201 857 VAL A O 6538 C CB . VAL B 179 ? 0.7737 0.9356 0.7843 0.2712 0.0729 0.0171 857 VAL A CB 6539 C CG1 . VAL B 179 ? 0.8421 1.0054 0.8465 0.2691 0.0801 0.0157 857 VAL A CG1 6540 C CG2 . VAL B 179 ? 0.8047 0.9391 0.7988 0.2784 0.0679 0.0131 857 VAL A CG2 6541 N N . LYS B 180 ? 0.6492 0.8618 0.7029 0.2705 0.0670 0.0258 858 LYS A N 6542 C CA . LYS B 180 ? 0.6481 0.8659 0.7108 0.2682 0.0593 0.0284 858 LYS A CA 6543 C C . LYS B 180 ? 0.6471 0.8629 0.7121 0.2518 0.0563 0.0309 858 LYS A C 6544 O O . LYS B 180 ? 0.6521 0.8722 0.7186 0.2429 0.0613 0.0317 858 LYS A O 6545 C CB . LYS B 180 ? 0.6114 0.8594 0.6947 0.2748 0.0602 0.0304 858 LYS A CB 6546 C CG . LYS B 180 ? 0.6290 0.9032 0.7286 0.2682 0.0674 0.0326 858 LYS A CG 6547 C CD . LYS B 180 ? 0.5992 0.9034 0.7196 0.2761 0.0687 0.0341 858 LYS A CD 6548 C CE . LYS B 180 ? 0.5372 0.8396 0.6524 0.2941 0.0712 0.0313 858 LYS A CE 6549 N NZ . LYS B 180 ? 0.5148 0.8497 0.6519 0.3020 0.0743 0.0328 858 LYS A NZ 6550 N N . MET B 181 ? 0.6363 0.8445 0.7002 0.2485 0.0483 0.0322 859 MET A N 6551 C CA . MET B 181 ? 0.6215 0.8240 0.6849 0.2341 0.0448 0.0341 859 MET A CA 6552 C C . MET B 181 ? 0.7095 0.9345 0.7908 0.2292 0.0411 0.0370 859 MET A C 6553 O O . MET B 181 ? 0.7250 0.9623 0.8149 0.2376 0.0375 0.0375 859 MET A O 6554 C CB . MET B 181 ? 0.5963 0.7714 0.6432 0.2332 0.0388 0.0334 859 MET A CB 6555 C CG . MET B 181 ? 0.6282 0.7929 0.6706 0.2191 0.0368 0.0346 859 MET A CG 6556 S SD . MET B 181 ? 0.7568 0.8910 0.7810 0.2192 0.0306 0.0342 859 MET A SD 6557 C CE . MET B 181 ? 0.7394 0.8628 0.7580 0.2037 0.0320 0.0345 859 MET A CE 6558 N N . SER B 182 ? 0.7832 1.0133 0.8701 0.2158 0.0415 0.0386 860 SER A N 6559 C CA . SER B 182 ? 0.8835 1.1340 0.9872 0.2093 0.0378 0.0407 860 SER A CA 6560 C C . SER B 182 ? 0.9748 1.2126 1.0718 0.2053 0.0289 0.0412 860 SER A C 6561 O O . SER B 182 ? 0.9608 1.1806 1.0465 0.1969 0.0278 0.0411 860 SER A O 6562 C CB . SER B 182 ? 0.9719 1.2330 1.0845 0.1968 0.0428 0.0422 860 SER A CB 6563 O OG . SER B 182 ? 1.0487 1.3296 1.1784 0.1902 0.0391 0.0439 860 SER A OG 6564 N N . ALA B 183 ? 1.0951 1.3429 1.1992 0.2116 0.0226 0.0417 861 ALA A N 6565 C CA . ALA B 183 ? 1.1007 1.3370 1.1973 0.2096 0.0139 0.0424 861 ALA A CA 6566 C C . ALA B 183 ? 1.0636 1.3091 1.1688 0.1963 0.0108 0.0432 861 ALA A C 6567 O O . ALA B 183 ? 1.0775 1.3471 1.2007 0.1941 0.0096 0.0437 861 ALA A O 6568 C CB . ALA B 183 ? 1.0914 1.3353 1.1917 0.2220 0.0079 0.0428 861 ALA A CB 6569 N N . VAL B 184 ? 1.0369 1.2634 1.1296 0.1875 0.0094 0.0432 862 VAL A N 6570 C CA . VAL B 184 ? 0.9880 1.2189 1.0855 0.1758 0.0055 0.0436 862 VAL A CA 6571 C C . VAL B 184 ? 0.9661 1.1878 1.0550 0.1782 -0.0034 0.0439 862 VAL A C 6572 O O . VAL B 184 ? 0.9535 1.1593 1.0292 0.1866 -0.0052 0.0444 862 VAL A O 6573 C CB . VAL B 184 ? 0.9730 1.1903 1.0631 0.1645 0.0101 0.0434 862 VAL A CB 6574 C CG1 . VAL B 184 ? 0.9776 1.1735 1.0522 0.1602 0.0057 0.0434 862 VAL A CG1 6575 C CG2 . VAL B 184 ? 0.9494 1.1840 1.0547 0.1540 0.0122 0.0438 862 VAL A CG2 6576 N N . GLU B 185 ? 0.9922 1.2234 1.0881 0.1708 -0.0090 0.0438 863 GLU A N 6577 C CA . GLU B 185 ? 1.0291 1.2558 1.1183 0.1740 -0.0181 0.0441 863 GLU A CA 6578 C C . GLU B 185 ? 0.9125 1.1109 0.9798 0.1738 -0.0187 0.0449 863 GLU A C 6579 O O . GLU B 185 ? 0.9063 1.0942 0.9630 0.1826 -0.0226 0.0461 863 GLU A O 6580 C CB . GLU B 185 ? 1.1810 1.4216 1.2805 0.1647 -0.0238 0.0431 863 GLU A CB 6581 C CG . GLU B 185 ? 1.3437 1.5805 1.4356 0.1678 -0.0337 0.0432 863 GLU A CG 6582 C CD . GLU B 185 ? 1.4842 1.7303 1.5828 0.1574 -0.0394 0.0414 863 GLU A CD 6583 O OE1 . GLU B 185 ? 1.5547 1.8073 1.6627 0.1470 -0.0353 0.0403 863 GLU A OE1 6584 O OE2 . GLU B 185 ? 1.5360 1.7819 1.6294 0.1597 -0.0482 0.0410 863 GLU A OE2 6585 N N . GLY B 186 ? 0.8333 1.0191 0.8939 0.1639 -0.0146 0.0445 864 GLY A N 6586 C CA . GLY B 186 ? 0.8130 0.9738 0.8545 0.1626 -0.0150 0.0453 864 GLY A CA 6587 C C . GLY B 186 ? 0.7941 0.9379 0.8243 0.1701 -0.0110 0.0461 864 GLY A C 6588 O O . GLY B 186 ? 0.7830 0.9071 0.7980 0.1715 -0.0124 0.0474 864 GLY A O 6589 N N . ILE B 187 ? 0.7395 0.8900 0.7764 0.1748 -0.0059 0.0453 865 ILE A N 6590 C CA . ILE B 187 ? 0.6393 0.7731 0.6655 0.1813 -0.0019 0.0452 865 ILE A CA 6591 C C . ILE B 187 ? 0.5874 0.7218 0.6120 0.1945 -0.0055 0.0460 865 ILE A C 6592 O O . ILE B 187 ? 0.6321 0.7854 0.6692 0.2010 -0.0057 0.0455 865 ILE A O 6593 C CB . ILE B 187 ? 0.5573 0.6964 0.5893 0.1799 0.0056 0.0436 865 ILE A CB 6594 C CG1 . ILE B 187 ? 0.3996 0.5374 0.4327 0.1673 0.0090 0.0432 865 ILE A CG1 6595 C CG2 . ILE B 187 ? 0.5205 0.6420 0.5410 0.1870 0.0088 0.0428 865 ILE A CG2 6596 C CD1 . ILE B 187 ? 0.4903 0.6058 0.5088 0.1617 0.0088 0.0435 865 ILE A CD1 6597 N N . CYS B 188 ? 0.5835 0.6970 0.5928 0.1988 -0.0081 0.0475 866 CYS A N 6598 C CA . CYS B 188 ? 0.6809 0.7914 0.6862 0.2116 -0.0121 0.0488 866 CYS A CA 6599 C C . CYS B 188 ? 0.6672 0.7661 0.6670 0.2196 -0.0074 0.0476 866 CYS A C 6600 O O . CYS B 188 ? 0.6567 0.7350 0.6448 0.2163 -0.0041 0.0472 866 CYS A O 6601 C CB . CYS B 188 ? 0.7634 0.8565 0.7541 0.2122 -0.0175 0.0517 866 CYS A CB 6602 S SG . CYS B 188 ? 0.8622 0.9517 0.8473 0.2283 -0.0236 0.0541 866 CYS A SG 6603 N N . THR B 189 ? 0.6792 0.7915 0.6875 0.2303 -0.0072 0.0467 867 THR A N 6604 C CA . THR B 189 ? 0.7217 0.8239 0.7247 0.2395 -0.0031 0.0450 867 THR A CA 6605 C C . THR B 189 ? 0.8221 0.9170 0.8191 0.2532 -0.0078 0.0466 867 THR A C 6606 O O . THR B 189 ? 0.8712 0.9785 0.8739 0.2575 -0.0137 0.0486 867 THR A O 6607 C CB . THR B 189 ? 0.5987 0.7217 0.6158 0.2419 0.0024 0.0425 867 THR A CB 6608 O OG1 . THR B 189 ? 0.5714 0.7186 0.6031 0.2492 -0.0007 0.0432 867 THR A OG1 6609 C CG2 . THR B 189 ? 0.5799 0.7116 0.6037 0.2285 0.0065 0.0416 867 THR A CG2 6610 N N . SER B 190 ? 0.9227 0.9966 0.9075 0.2602 -0.0055 0.0456 868 SER A N 6611 C CA . SER B 190 ? 1.0792 1.1415 1.0558 0.2733 -0.0097 0.0474 868 SER A CA 6612 C C . SER B 190 ? 1.2236 1.3087 1.2135 0.2858 -0.0110 0.0468 868 SER A C 6613 O O . SER B 190 ? 1.2530 1.3419 1.2433 0.2942 -0.0171 0.0493 868 SER A O 6614 C CB . SER B 190 ? 1.1206 1.1546 1.0818 0.2772 -0.0066 0.0459 868 SER A CB 6615 O OG . SER B 190 ? 1.1646 1.1854 1.1170 0.2901 -0.0105 0.0479 868 SER A OG 6616 N N . GLU B 191 ? 1.3709 1.4718 1.3717 0.2876 -0.0053 0.0435 869 GLU A N 6617 C CA . GLU B 191 ? 1.4681 1.5942 1.4840 0.2986 -0.0057 0.0430 869 GLU A CA 6618 C C . GLU B 191 ? 1.4137 1.5682 1.4472 0.2916 -0.0089 0.0444 869 GLU A C 6619 O O . GLU B 191 ? 1.4189 1.5716 1.4511 0.2792 -0.0112 0.0457 869 GLU A O 6620 C CB . GLU B 191 ? 1.5791 1.7113 1.5994 0.3031 0.0023 0.0391 869 GLU A CB 6621 C CG . GLU B 191 ? 1.7123 1.8230 1.7191 0.3163 0.0040 0.0371 869 GLU A CG 6622 C CD . GLU B 191 ? 1.7966 1.8723 1.7827 0.3130 0.0017 0.0379 869 GLU A CD 6623 O OE1 . GLU B 191 ? 1.8204 1.8863 1.8012 0.2993 0.0027 0.0381 869 GLU A OE1 6624 O OE2 . GLU B 191 ? 1.8309 1.8890 1.8064 0.3244 -0.0009 0.0383 869 GLU A OE2 6625 N N . SER B 192 ? 1.4168 1.5982 1.4674 0.2995 -0.0089 0.0440 870 SER A N 6626 C CA . SER B 192 ? 1.4117 1.6213 1.4806 0.2933 -0.0126 0.0451 870 SER A CA 6627 C C . SER B 192 ? 1.4394 1.6766 1.5278 0.2927 -0.0060 0.0433 870 SER A C 6628 O O . SER B 192 ? 1.4425 1.6829 1.5327 0.3032 -0.0007 0.0416 870 SER A O 6629 C CB . SER B 192 ? 1.3649 1.5836 1.4377 0.3036 -0.0216 0.0473 870 SER A CB 6630 O OG . SER B 192 ? 1.3390 1.5311 1.3924 0.3049 -0.0272 0.0496 870 SER A OG 6631 N N . PRO B 193 ? 1.4536 1.7108 1.5565 0.2805 -0.0059 0.0436 871 PRO A N 6632 C CA . PRO B 193 ? 1.4901 1.7736 1.6119 0.2786 0.0011 0.0426 871 PRO A CA 6633 C C . PRO B 193 ? 1.5070 1.8152 1.6449 0.2924 0.0001 0.0427 871 PRO A C 6634 O O . PRO B 193 ? 1.5248 1.8405 1.6671 0.2987 -0.0083 0.0439 871 PRO A O 6635 C CB . PRO B 193 ? 1.4981 1.7956 1.6314 0.2627 -0.0010 0.0435 871 PRO A CB 6636 C CG . PRO B 193 ? 1.4989 1.7871 1.6249 0.2609 -0.0113 0.0448 871 PRO A CG 6637 C CD . PRO B 193 ? 1.4896 1.7461 1.5922 0.2681 -0.0122 0.0450 871 PRO A CD 6638 N N . VAL B 194 ? 1.5482 1.8694 1.6947 0.2976 0.0088 0.0414 872 VAL A N 6639 C CA . VAL B 194 ? 1.5532 1.8995 1.7161 0.3113 0.0095 0.0413 872 VAL A CA 6640 C C . VAL B 194 ? 1.5336 1.9163 1.7236 0.3040 0.0115 0.0423 872 VAL A C 6641 O O . VAL B 194 ? 1.4765 1.8818 1.6829 0.3080 0.0051 0.0432 872 VAL A O 6642 C CB . VAL B 194 ? 1.5136 1.8511 1.6681 0.3243 0.0178 0.0391 872 VAL A CB 6643 C CG1 . VAL B 194 ? 1.4876 1.7873 1.6155 0.3297 0.0154 0.0380 872 VAL A CG1 6644 C CG2 . VAL B 194 ? 1.4723 1.8160 1.6302 0.3173 0.0290 0.0379 872 VAL A CG2 6645 N N . ILE B 195 ? 1.5448 1.9330 1.7396 0.2927 0.0198 0.0422 873 ILE A N 6646 C CA . ILE B 195 ? 1.4946 1.9154 1.7145 0.2841 0.0232 0.0434 873 ILE A CA 6647 C C . ILE B 195 ? 1.4910 1.9072 1.7078 0.2729 0.0334 0.0436 873 ILE A C 6648 O O . ILE B 195 ? 1.4952 1.9195 1.7152 0.2781 0.0433 0.0433 873 ILE A O 6649 C CB . ILE B 195 ? 1.4340 1.8864 1.6753 0.2972 0.0258 0.0437 873 ILE A CB 6650 C CG1 . ILE B 195 ? 1.3618 1.8481 1.6301 0.2872 0.0305 0.0453 873 ILE A CG1 6651 C CG2 . ILE B 195 ? 1.4366 1.8804 1.6677 0.3126 0.0339 0.0420 873 ILE A CG2 6652 C CD1 . ILE B 195 ? 1.3097 1.8292 1.6010 0.2991 0.0337 0.0458 873 ILE A CD1 6653 N N . LYS B 201 ? 1.3776 1.7673 1.5829 0.2355 0.0213 0.0450 879 LYS A N 6654 C CA . LYS B 201 ? 1.4168 1.7789 1.6004 0.2422 0.0152 0.0440 879 LYS A CA 6655 C C . LYS B 201 ? 1.5345 1.8674 1.6964 0.2390 0.0205 0.0431 879 LYS A C 6656 O O . LYS B 201 ? 1.5273 1.8451 1.6801 0.2273 0.0189 0.0433 879 LYS A O 6657 C CB . LYS B 201 ? 1.3472 1.7052 1.5291 0.2356 0.0042 0.0444 879 LYS A CB 6658 C CG . LYS B 201 ? 1.2911 1.6739 1.4905 0.2415 -0.0037 0.0448 879 LYS A CG 6659 C CD . LYS B 201 ? 1.2328 1.6055 1.4240 0.2382 -0.0152 0.0449 879 LYS A CD 6660 C CE . LYS B 201 ? 1.1910 1.5880 1.3984 0.2454 -0.0240 0.0451 879 LYS A CE 6661 N NZ . LYS B 201 ? 1.1655 1.5512 1.3621 0.2443 -0.0356 0.0452 879 LYS A NZ 6662 N N . SER B 202 ? 1.6441 1.9689 1.7976 0.2498 0.0267 0.0419 880 SER A N 6663 C CA . SER B 202 ? 1.6772 1.9762 1.8114 0.2469 0.0319 0.0406 880 SER A CA 6664 C C . SER B 202 ? 1.6222 1.9076 1.7438 0.2622 0.0343 0.0385 880 SER A C 6665 O O . SER B 202 ? 1.7434 2.0382 1.8688 0.2691 0.0419 0.0374 880 SER A O 6666 C CB . SER B 202 ? 1.7550 2.0632 1.8954 0.2376 0.0408 0.0411 880 SER A CB 6667 O OG . SER B 202 ? 1.8268 2.1589 1.9818 0.2449 0.0476 0.0414 880 SER A OG 6668 N N . SER B 203 ? 1.4450 1.7079 1.5514 0.2674 0.0279 0.0380 881 SER A N 6669 C CA . SER B 203 ? 1.2439 1.4844 1.3332 0.2788 0.0295 0.0357 881 SER A CA 6670 C C . SER B 203 ? 1.2260 1.4805 1.3223 0.2944 0.0338 0.0342 881 SER A C 6671 O O . SER B 203 ? 1.2608 1.5432 1.3762 0.2983 0.0336 0.0355 881 SER A O 6672 C CB . SER B 203 ? 1.0671 1.2876 1.1420 0.2716 0.0351 0.0338 881 SER A CB 6673 O OG . SER B 203 ? 0.9820 1.1776 1.0390 0.2808 0.0356 0.0312 881 SER A OG 6674 N N . LYS B 204 ? 1.1809 1.4163 1.2621 0.3034 0.0375 0.0313 882 LYS A N 6675 C CA . LYS B 204 ? 1.1685 1.4122 1.2525 0.3199 0.0415 0.0293 882 LYS A CA 6676 C C . LYS B 204 ? 1.2173 1.4508 1.2905 0.3220 0.0502 0.0258 882 LYS A C 6677 O O . LYS B 204 ? 1.2298 1.4404 1.2876 0.3141 0.0508 0.0244 882 LYS A O 6678 C CB . LYS B 204 ? 1.1272 1.3537 1.2008 0.3331 0.0350 0.0288 882 LYS A CB 6679 C CG . LYS B 204 ? 1.1351 1.3717 1.2132 0.3515 0.0381 0.0270 882 LYS A CG 6680 C CD . LYS B 204 ? 1.1427 1.4182 1.2465 0.3541 0.0398 0.0290 882 LYS A CD 6681 C CE . LYS B 204 ? 1.1667 1.4527 1.2755 0.3738 0.0421 0.0274 882 LYS A CE 6682 N NZ . LYS B 204 ? 1.1812 1.4509 1.2809 0.3855 0.0336 0.0278 882 LYS A NZ 6683 N N . CYS B 205 ? 1.2710 1.5221 1.3522 0.3331 0.0570 0.0244 883 CYS A N 6684 C CA . CYS B 205 ? 1.2614 1.5063 1.3330 0.3366 0.0659 0.0210 883 CYS A CA 6685 C C . CYS B 205 ? 1.1508 1.3754 1.2069 0.3530 0.0656 0.0168 883 CYS A C 6686 O O . CYS B 205 ? 1.1363 1.3743 1.2000 0.3675 0.0670 0.0162 883 CYS A O 6687 C CB . CYS B 205 ? 1.3930 1.6707 1.4829 0.3376 0.0747 0.0223 883 CYS A CB 6688 S SG . CYS B 205 ? 1.4897 1.7658 1.5693 0.3481 0.0865 0.0181 883 CYS A SG 6689 N N . VAL B 206 ? 1.0399 1.2322 1.0746 0.3506 0.0637 0.0138 884 VAL A N 6690 C CA . VAL B 206 ? 0.8755 1.0440 0.8929 0.3644 0.0636 0.0091 884 VAL A CA 6691 C C . VAL B 206 ? 0.7358 0.8990 0.7428 0.3657 0.0718 0.0046 884 VAL A C 6692 O O . VAL B 206 ? 0.6723 0.8215 0.6691 0.3542 0.0723 0.0035 884 VAL A O 6693 C CB . VAL B 206 ? 0.8217 0.9567 0.8223 0.3610 0.0555 0.0086 884 VAL A CB 6694 C CG1 . VAL B 206 ? 0.8188 0.9558 0.8253 0.3674 0.0481 0.0120 884 VAL A CG1 6695 C CG2 . VAL B 206 ? 0.7981 0.9245 0.7952 0.3422 0.0535 0.0104 884 VAL A CG2 6696 N N . ARG B 207 ? 0.7213 0.8956 0.7302 0.3803 0.0781 0.0019 885 ARG A N 6697 C CA . ARG B 207 ? 0.7120 0.8867 0.7127 0.3825 0.0869 -0.0019 885 ARG A CA 6698 C C . ARG B 207 ? 0.6992 0.8377 0.6745 0.3850 0.0849 -0.0080 885 ARG A C 6699 O O . ARG B 207 ? 0.7702 0.8894 0.7350 0.3954 0.0811 -0.0112 885 ARG A O 6700 C CB . ARG B 207 ? 0.6008 0.7962 0.6103 0.3922 0.0930 -0.0027 885 ARG A CB 6701 C CG . ARG B 207 ? 0.5836 0.8159 0.6197 0.3883 0.0951 0.0032 885 ARG A CG 6702 C CD . ARG B 207 ? 0.5936 0.8468 0.6392 0.3960 0.1016 0.0027 885 ARG A CD 6703 N NE . ARG B 207 ? 0.5797 0.8662 0.6516 0.3930 0.1015 0.0079 885 ARG A NE 6704 C CZ . ARG B 207 ? 0.7092 1.0178 0.7946 0.3994 0.1056 0.0085 885 ARG A CZ 6705 N NH1 . ARG B 207 ? 0.7040 1.0048 0.7784 0.4097 0.1104 0.0043 885 ARG A NH1 6706 N NH2 . ARG B 207 ? 0.6970 1.0358 0.8073 0.3956 0.1047 0.0131 885 ARG A NH2 6707 N N . GLN B 208 ? 0.6603 0.7890 0.6259 0.3735 0.0866 -0.0094 886 GLN A N 6708 C CA . GLN B 208 ? 0.7086 0.8057 0.6511 0.3741 0.0851 -0.0156 886 GLN A CA 6709 C C . GLN B 208 ? 0.7488 0.8523 0.6843 0.3767 0.0938 -0.0191 886 GLN A C 6710 O O . GLN B 208 ? 0.7259 0.8573 0.6744 0.3765 0.1011 -0.0160 886 GLN A O 6711 C CB . GLN B 208 ? 0.7364 0.8141 0.6725 0.3577 0.0783 -0.0142 886 GLN A CB 6712 C CG . GLN B 208 ? 0.8203 0.8932 0.7632 0.3537 0.0703 -0.0099 886 GLN A CG 6713 C CD . GLN B 208 ? 0.8443 0.9124 0.7890 0.3355 0.0661 -0.0063 886 GLN A CD 6714 O OE1 . GLN B 208 ? 0.8645 0.9067 0.7958 0.3293 0.0615 -0.0084 886 GLN A OE1 6715 N NE2 . GLN B 208 ? 0.8415 0.9347 0.8031 0.3269 0.0675 -0.0010 886 GLN A NE2 6716 N N . LYS B 209 ? 0.7809 0.8578 0.6952 0.3791 0.0929 -0.0257 887 LYS A N 6717 C CA . LYS B 209 ? 0.7791 0.8581 0.6827 0.3828 0.1003 -0.0299 887 LYS A CA 6718 C C . LYS B 209 ? 0.7775 0.8350 0.6657 0.3707 0.0968 -0.0328 887 LYS A C 6719 O O . LYS B 209 ? 0.7747 0.8041 0.6506 0.3684 0.0894 -0.0364 887 LYS A O 6720 C CB . LYS B 209 ? 0.8256 0.8940 0.7169 0.3973 0.1022 -0.0361 887 LYS A CB 6721 C CG . LYS B 209 ? 0.9265 0.9964 0.8054 0.3995 0.1091 -0.0402 887 LYS A CG 6722 C CD . LYS B 209 ? 1.0107 1.0711 0.8786 0.4118 0.1103 -0.0458 887 LYS A CD 6723 C CE . LYS B 209 ? 1.0584 1.1198 0.9126 0.4143 0.1170 -0.0498 887 LYS A CE 6724 N NZ . LYS B 209 ? 1.1061 1.1583 0.9493 0.4267 0.1184 -0.0554 887 LYS A NZ 6725 N N . VAL B 210 ? 0.7616 0.8325 0.6509 0.3630 0.1021 -0.0309 888 VAL A N 6726 C CA . VAL B 210 ? 0.7814 0.8344 0.6550 0.3541 0.0999 -0.0343 888 VAL A CA 6727 C C . VAL B 210 ? 0.8567 0.9019 0.7121 0.3659 0.1050 -0.0416 888 VAL A C 6728 O O . VAL B 210 ? 0.8557 0.9206 0.7146 0.3756 0.1139 -0.0410 888 VAL A O 6729 C CB . VAL B 210 ? 0.7231 0.7930 0.6064 0.3393 0.1024 -0.0281 888 VAL A CB 6730 C CG1 . VAL B 210 ? 0.7180 0.7676 0.5863 0.3294 0.0979 -0.0313 888 VAL A CG1 6731 C CG2 . VAL B 210 ? 0.8169 0.8991 0.7196 0.3298 0.0988 -0.0210 888 VAL A CG2 6732 N N . GLU B 211 ? 0.8804 0.8971 0.7163 0.3650 0.0994 -0.0486 889 GLU A N 6733 C CA . GLU B 211 ? 0.9018 0.9091 0.7182 0.3751 0.1033 -0.0562 889 GLU A CA 6734 C C . GLU B 211 ? 0.8168 0.8379 0.6305 0.3683 0.1089 -0.0539 889 GLU A C 6735 O O . GLU B 211 ? 0.7281 0.7572 0.5511 0.3540 0.1073 -0.0481 889 GLU A O 6736 C CB . GLU B 211 ? 0.9907 0.9629 0.7874 0.3755 0.0948 -0.0647 889 GLU A CB 6737 C CG . GLU B 211 ? 1.0985 1.0566 0.8784 0.3930 0.0970 -0.0735 889 GLU A CG 6738 C CD . GLU B 211 ? 1.1478 1.1128 0.9389 0.4011 0.0976 -0.0708 889 GLU A CD 6739 O OE1 . GLU B 211 ? 1.1041 1.0716 0.9089 0.3984 0.0941 -0.0660 889 GLU A OE1 6740 O OE2 . GLU B 211 ? 1.2228 1.1909 1.0086 0.4106 0.1014 -0.0736 889 GLU A OE2 6741 N N . GLY B 212 ? 0.8290 0.8523 0.6291 0.3794 0.1157 -0.0586 890 GLY A N 6742 C CA . GLY B 212 ? 0.7092 0.7455 0.5050 0.3747 0.1219 -0.0561 890 GLY A CA 6743 C C . GLY B 212 ? 0.8317 0.8502 0.6166 0.3617 0.1144 -0.0581 890 GLY A C 6744 O O . GLY B 212 ? 0.8533 0.8452 0.6237 0.3618 0.1063 -0.0655 890 GLY A O 6745 N N . SER B 213 ? 0.8325 0.8662 0.6250 0.3504 0.1170 -0.0513 891 SER A N 6746 C CA . SER B 213 ? 0.8996 0.9208 0.6833 0.3382 0.1109 -0.0521 891 SER A CA 6747 C C . SER B 213 ? 0.9366 0.9369 0.7223 0.3293 0.0994 -0.0543 891 SER A C 6748 O O . SER B 213 ? 0.9602 0.9373 0.7305 0.3281 0.0922 -0.0614 891 SER A O 6749 C CB . SER B 213 ? 0.9153 0.9239 0.6743 0.3452 0.1118 -0.0597 891 SER A CB 6750 O OG . SER B 213 ? 0.9307 0.9589 0.6870 0.3528 0.1231 -0.0568 891 SER A OG 6751 N N . SER B 214 ? 0.9719 0.9811 0.7771 0.3231 0.0979 -0.0480 892 SER A N 6752 C CA . SER B 214 ? 0.9556 0.9473 0.7642 0.3139 0.0881 -0.0485 892 SER A CA 6753 C C . SER B 214 ? 0.9260 0.9349 0.7570 0.3049 0.0883 -0.0395 892 SER A C 6754 O O . SER B 214 ? 0.8901 0.9212 0.7319 0.3008 0.0943 -0.0330 892 SER A O 6755 C CB . SER B 214 ? 0.9772 0.9470 0.7763 0.3237 0.0834 -0.0558 892 SER A CB 6756 O OG . SER B 214 ? 1.0447 1.0264 0.8530 0.3346 0.0882 -0.0538 892 SER A OG 6757 N N . SER B 215 ? 0.8713 0.8692 0.7083 0.3019 0.0819 -0.0390 893 SER A N 6758 C CA . SER B 215 ? 0.8072 0.8179 0.6632 0.2930 0.0806 -0.0313 893 SER A CA 6759 C C . SER B 215 ? 0.7777 0.7791 0.6378 0.2981 0.0763 -0.0318 893 SER A C 6760 O O . SER B 215 ? 0.7974 0.7802 0.6455 0.3073 0.0739 -0.0380 893 SER A O 6761 C CB . SER B 215 ? 0.7975 0.8021 0.6553 0.2774 0.0754 -0.0288 893 SER A CB 6762 O OG . SER B 215 ? 0.8237 0.8022 0.6702 0.2748 0.0678 -0.0342 893 SER A OG 6763 N N . HIS B 216 ? 0.7612 0.7747 0.6378 0.2922 0.0751 -0.0252 894 HIS A N 6764 C CA . HIS B 216 ? 0.6986 0.7045 0.5797 0.2963 0.0707 -0.0244 894 HIS A CA 6765 C C . HIS B 216 ? 0.6932 0.7014 0.5857 0.2832 0.0661 -0.0184 894 HIS A C 6766 O O . HIS B 216 ? 0.7270 0.7534 0.6305 0.2745 0.0685 -0.0133 894 HIS A O 6767 C CB . HIS B 216 ? 0.6778 0.7024 0.5683 0.3091 0.0758 -0.0228 894 HIS A CB 6768 C CG . HIS B 216 ? 0.7049 0.7191 0.5964 0.3168 0.0713 -0.0231 894 HIS A CG 6769 N ND1 . HIS B 216 ? 0.7050 0.7178 0.6056 0.3098 0.0658 -0.0183 894 HIS A ND1 6770 C CD2 . HIS B 216 ? 0.7308 0.7354 0.6148 0.3316 0.0716 -0.0275 894 HIS A CD2 6771 C CE1 . HIS B 216 ? 0.7733 0.7758 0.6716 0.3199 0.0628 -0.0193 894 HIS A CE1 6772 N NE2 . HIS B 216 ? 0.7533 0.7505 0.6420 0.3332 0.0662 -0.0250 894 HIS A NE2 6773 N N . LEU B 217 ? 0.6892 0.6783 0.5783 0.2817 0.0596 -0.0189 895 LEU A N 6774 C CA . LEU B 217 ? 0.6761 0.6642 0.5734 0.2696 0.0550 -0.0138 895 LEU A CA 6775 C C . LEU B 217 ? 0.6170 0.6247 0.5299 0.2715 0.0557 -0.0078 895 LEU A C 6776 O O . LEU B 217 ? 0.5601 0.5757 0.4764 0.2834 0.0576 -0.0081 895 LEU A O 6777 C CB . LEU B 217 ? 0.7970 0.7571 0.6844 0.2672 0.0483 -0.0160 895 LEU A CB 6778 C CG . LEU B 217 ? 0.9414 0.8836 0.8184 0.2581 0.0454 -0.0198 895 LEU A CG 6779 C CD1 . LEU B 217 ? 1.0407 0.9758 0.9047 0.2652 0.0476 -0.0271 895 LEU A CD1 6780 C CD2 . LEU B 217 ? 0.9844 0.9023 0.8560 0.2537 0.0391 -0.0202 895 LEU A CD2 6781 N N . VAL B 218 ? 0.6032 0.6190 0.5258 0.2598 0.0538 -0.0027 896 VAL A N 6782 C CA . VAL B 218 ? 0.6322 0.6663 0.5698 0.2591 0.0532 0.0029 896 VAL A CA 6783 C C . VAL B 218 ? 0.6329 0.6552 0.5707 0.2496 0.0471 0.0060 896 VAL A C 6784 O O . VAL B 218 ? 0.5571 0.5693 0.4904 0.2391 0.0456 0.0058 896 VAL A O 6785 C CB . VAL B 218 ? 0.6342 0.6950 0.5850 0.2538 0.0584 0.0064 896 VAL A CB 6786 C CG1 . VAL B 218 ? 0.6767 0.7556 0.6434 0.2515 0.0567 0.0116 896 VAL A CG1 6787 C CG2 . VAL B 218 ? 0.6204 0.6938 0.5712 0.2636 0.0653 0.0040 896 VAL A CG2 6788 N N . THR B 219 ? 0.6643 0.6879 0.6069 0.2539 0.0437 0.0088 897 THR A N 6789 C CA . THR B 219 ? 0.6103 0.6237 0.5526 0.2460 0.0383 0.0123 897 THR A CA 6790 C C . THR B 219 ? 0.5393 0.5710 0.4944 0.2475 0.0364 0.0170 897 THR A C 6791 O O . THR B 219 ? 0.5292 0.5711 0.4891 0.2587 0.0369 0.0170 897 THR A O 6792 C CB . THR B 219 ? 0.6288 0.6144 0.5577 0.2501 0.0342 0.0103 897 THR A CB 6793 O OG1 . THR B 219 ? 0.6857 0.6696 0.6118 0.2648 0.0346 0.0082 897 THR A OG1 6794 C CG2 . THR B 219 ? 0.6062 0.5725 0.5234 0.2447 0.0345 0.0060 897 THR A CG2 6795 N N . PHE B 220 ? 0.5382 0.5737 0.4983 0.2366 0.0339 0.0207 898 PHE A N 6796 C CA . PHE B 220 ? 0.5134 0.5639 0.4842 0.2369 0.0308 0.0248 898 PHE A CA 6797 C C . PHE B 220 ? 0.5694 0.6061 0.5351 0.2287 0.0259 0.0277 898 PHE A C 6798 O O . PHE B 220 ? 0.6394 0.6736 0.6046 0.2172 0.0265 0.0283 898 PHE A O 6799 C CB . PHE B 220 ? 0.4693 0.5468 0.4554 0.2316 0.0339 0.0265 898 PHE A CB 6800 C CG . PHE B 220 ? 0.5265 0.6224 0.5206 0.2409 0.0387 0.0251 898 PHE A CG 6801 C CD1 . PHE B 220 ? 0.4776 0.5848 0.4787 0.2520 0.0371 0.0259 898 PHE A CD1 6802 C CD2 . PHE B 220 ? 0.5411 0.6438 0.5360 0.2389 0.0449 0.0232 898 PHE A CD2 6803 C CE1 . PHE B 220 ? 0.6237 0.7493 0.6333 0.2608 0.0421 0.0247 898 PHE A CE1 6804 C CE2 . PHE B 220 ? 0.4698 0.5901 0.4720 0.2475 0.0502 0.0222 898 PHE A CE2 6805 C CZ . PHE B 220 ? 0.6186 0.7508 0.6287 0.2585 0.0489 0.0229 898 PHE A CZ 6806 N N . THR B 221 ? 0.5356 0.5637 0.4973 0.2349 0.0214 0.0297 899 THR A N 6807 C CA . THR B 221 ? 0.5287 0.5445 0.4849 0.2281 0.0171 0.0330 899 THR A CA 6808 C C . THR B 221 ? 0.5688 0.6043 0.5361 0.2243 0.0143 0.0364 899 THR A C 6809 O O . THR B 221 ? 0.5942 0.6450 0.5695 0.2324 0.0124 0.0374 899 THR A O 6810 C CB . THR B 221 ? 0.5148 0.5095 0.4595 0.2364 0.0136 0.0340 899 THR A CB 6811 O OG1 . THR B 221 ? 0.5260 0.4990 0.4594 0.2370 0.0155 0.0307 899 THR A OG1 6812 C CG2 . THR B 221 ? 0.5157 0.5012 0.4555 0.2306 0.0094 0.0384 899 THR A CG2 6813 N N . VAL B 222 ? 0.4724 0.5077 0.4403 0.2123 0.0139 0.0380 900 VAL A N 6814 C CA . VAL B 222 ? 0.5537 0.6049 0.5303 0.2075 0.0108 0.0407 900 VAL A CA 6815 C C . VAL B 222 ? 0.5485 0.5846 0.5161 0.2000 0.0078 0.0432 900 VAL A C 6816 O O . VAL B 222 ? 0.4693 0.4853 0.4262 0.1965 0.0091 0.0430 900 VAL A O 6817 C CB . VAL B 222 ? 0.5506 0.6221 0.5399 0.1997 0.0141 0.0397 900 VAL A CB 6818 C CG1 . VAL B 222 ? 0.4450 0.5331 0.4438 0.2073 0.0177 0.0379 900 VAL A CG1 6819 C CG2 . VAL B 222 ? 0.4386 0.4999 0.4230 0.1894 0.0176 0.0386 900 VAL A CG2 6820 N N . LEU B 223 ? 0.5232 0.5696 0.4952 0.1975 0.0037 0.0456 901 LEU A N 6821 C CA . LEU B 223 ? 0.4988 0.5329 0.4620 0.1912 0.0010 0.0482 901 LEU A CA 6822 C C . LEU B 223 ? 0.4829 0.5342 0.4551 0.1837 -0.0011 0.0486 901 LEU A C 6823 O O . LEU B 223 ? 0.5133 0.5784 0.4917 0.1878 -0.0057 0.0496 901 LEU A O 6824 C CB . LEU B 223 ? 0.5395 0.5611 0.4927 0.1996 -0.0036 0.0511 901 LEU A CB 6825 C CG . LEU B 223 ? 0.5817 0.5825 0.5210 0.1949 -0.0047 0.0541 901 LEU A CG 6826 C CD1 . LEU B 223 ? 0.5978 0.5832 0.5261 0.2050 -0.0078 0.0570 901 LEU A CD1 6827 C CD2 . LEU B 223 ? 0.5511 0.5598 0.4915 0.1877 -0.0075 0.0558 901 LEU A CD2 6828 N N . PRO B 224 ? 0.4389 0.4896 0.4122 0.1729 0.0018 0.0478 902 PRO A N 6829 C CA . PRO B 224 ? 0.4880 0.5537 0.4696 0.1655 0.0000 0.0478 902 PRO A CA 6830 C C . PRO B 224 ? 0.5449 0.6048 0.5188 0.1645 -0.0052 0.0501 902 PRO A C 6831 O O . PRO B 224 ? 0.5826 0.6242 0.5440 0.1623 -0.0047 0.0517 902 PRO A O 6832 C CB . PRO B 224 ? 0.4593 0.5213 0.4413 0.1554 0.0050 0.0465 902 PRO A CB 6833 C CG . PRO B 224 ? 0.4840 0.5343 0.4610 0.1584 0.0093 0.0453 902 PRO A CG 6834 C CD . PRO B 224 ? 0.4757 0.5128 0.4434 0.1673 0.0067 0.0466 902 PRO A CD 6835 N N . LEU B 225 ? 0.5586 0.6345 0.5400 0.1659 -0.0102 0.0501 903 LEU A N 6836 C CA . LEU B 225 ? 0.5649 0.6372 0.5389 0.1649 -0.0158 0.0518 903 LEU A CA 6837 C C . LEU B 225 ? 0.6156 0.6942 0.5931 0.1542 -0.0163 0.0504 903 LEU A C 6838 O O . LEU B 225 ? 0.6754 0.7470 0.6437 0.1519 -0.0196 0.0515 903 LEU A O 6839 C CB . LEU B 225 ? 0.4482 0.5331 0.4266 0.1738 -0.0225 0.0526 903 LEU A CB 6840 C CG . LEU B 225 ? 0.5387 0.6162 0.5121 0.1860 -0.0232 0.0543 903 LEU A CG 6841 C CD1 . LEU B 225 ? 0.4654 0.5606 0.4474 0.1947 -0.0297 0.0545 903 LEU A CD1 6842 C CD2 . LEU B 225 ? 0.5433 0.5960 0.4979 0.1881 -0.0236 0.0575 903 LEU A CD2 6843 N N . GLU B 226 ? 0.5782 0.6690 0.5679 0.1480 -0.0129 0.0482 904 GLU A N 6844 C CA . GLU B 226 ? 0.5860 0.6830 0.5800 0.1381 -0.0134 0.0466 904 GLU A CA 6845 C C . GLU B 226 ? 0.5810 0.6711 0.5750 0.1305 -0.0066 0.0458 904 GLU A C 6846 O O . GLU B 226 ? 0.6191 0.7087 0.6161 0.1323 -0.0018 0.0455 904 GLU A O 6847 C CB . GLU B 226 ? 0.6203 0.7406 0.6310 0.1370 -0.0166 0.0449 904 GLU A CB 6848 C CG . GLU B 226 ? 0.7436 0.8737 0.7566 0.1449 -0.0240 0.0455 904 GLU A CG 6849 C CD . GLU B 226 ? 0.8656 1.0205 0.8973 0.1433 -0.0270 0.0437 904 GLU A CD 6850 O OE1 . GLU B 226 ? 0.8960 1.0584 0.9369 0.1343 -0.0241 0.0421 904 GLU A OE1 6851 O OE2 . GLU B 226 ? 0.9033 1.0703 0.9409 0.1510 -0.0322 0.0441 904 GLU A OE2 6852 N N . ILE B 227 ? 0.5431 0.6280 0.5330 0.1226 -0.0065 0.0451 905 ILE A N 6853 C CA . ILE B 227 ? 0.5284 0.6059 0.5171 0.1153 -0.0008 0.0445 905 ILE A CA 6854 C C . ILE B 227 ? 0.5683 0.6607 0.5708 0.1098 0.0011 0.0429 905 ILE A C 6855 O O . ILE B 227 ? 0.6147 0.7208 0.6260 0.1082 -0.0028 0.0419 905 ILE A O 6856 C CB . ILE B 227 ? 0.4777 0.5427 0.4553 0.1102 -0.0014 0.0447 905 ILE A CB 6857 C CG1 . ILE B 227 ? 0.5178 0.5677 0.4816 0.1157 -0.0023 0.0471 905 ILE A CG1 6858 C CG2 . ILE B 227 ? 0.4468 0.5053 0.4241 0.1032 0.0042 0.0440 905 ILE A CG2 6859 C CD1 . ILE B 227 ? 0.5653 0.6043 0.5176 0.1120 -0.0031 0.0477 905 ILE A CD1 6860 N N . GLY B 228 ? 0.5635 0.6534 0.5682 0.1069 0.0070 0.0427 906 GLY A N 6861 C CA . GLY B 228 ? 0.5864 0.6879 0.6026 0.1014 0.0098 0.0419 906 GLY A CA 6862 C C . GLY B 228 ? 0.5558 0.6634 0.5779 0.1053 0.0144 0.0423 906 GLY A C 6863 O O . GLY B 228 ? 0.5908 0.6922 0.6075 0.1121 0.0154 0.0426 906 GLY A O 6864 N N . LEU B 229 ? 0.5199 0.6391 0.5526 0.1009 0.0174 0.0422 907 LEU A N 6865 C CA . LEU B 229 ? 0.5304 0.6569 0.5688 0.1043 0.0223 0.0427 907 LEU A CA 6866 C C . LEU B 229 ? 0.5437 0.6878 0.5933 0.1097 0.0206 0.0429 907 LEU A C 6867 O O . LEU B 229 ? 0.5679 0.7255 0.6282 0.1057 0.0181 0.0428 907 LEU A O 6868 C CB . LEU B 229 ? 0.4939 0.6234 0.5372 0.0971 0.0272 0.0432 907 LEU A CB 6869 C CG . LEU B 229 ? 0.5889 0.7032 0.6222 0.0951 0.0309 0.0432 907 LEU A CG 6870 C CD1 . LEU B 229 ? 0.6085 0.7090 0.6328 0.0911 0.0281 0.0426 907 LEU A CD1 6871 C CD2 . LEU B 229 ? 0.6289 0.7483 0.6677 0.0901 0.0359 0.0443 907 LEU A CD2 6872 N N . HIS B 230 ? 0.5500 0.6943 0.5976 0.1187 0.0218 0.0429 908 HIS A N 6873 C CA . HIS B 230 ? 0.5940 0.7549 0.6519 0.1256 0.0203 0.0431 908 HIS A CA 6874 C C . HIS B 230 ? 0.6347 0.8032 0.6973 0.1299 0.0268 0.0433 908 HIS A C 6875 O O . HIS B 230 ? 0.6716 0.8278 0.7243 0.1337 0.0301 0.0427 908 HIS A O 6876 C CB . HIS B 230 ? 0.5995 0.7536 0.6499 0.1344 0.0153 0.0429 908 HIS A CB 6877 C CG . HIS B 230 ? 0.6250 0.7707 0.6686 0.1312 0.0092 0.0430 908 HIS A CG 6878 N ND1 . HIS B 230 ? 0.6379 0.7654 0.6692 0.1263 0.0096 0.0430 908 HIS A ND1 6879 C CD2 . HIS B 230 ? 0.6846 0.8379 0.7316 0.1326 0.0026 0.0430 908 HIS A CD2 6880 C CE1 . HIS B 230 ? 0.6889 0.8128 0.7156 0.1249 0.0040 0.0431 908 HIS A CE1 6881 N NE2 . HIS B 230 ? 0.7265 0.8654 0.7620 0.1287 -0.0006 0.0431 908 HIS A NE2 6882 N N . ASN B 231 ? 0.6159 0.8049 0.6935 0.1293 0.0287 0.0441 909 ASN A N 6883 C CA . ASN B 231 ? 0.5680 0.7663 0.6506 0.1338 0.0355 0.0446 909 ASN A CA 6884 C C . ASN B 231 ? 0.5504 0.7504 0.6311 0.1464 0.0347 0.0437 909 ASN A C 6885 O O . ASN B 231 ? 0.5202 0.7286 0.6066 0.1511 0.0296 0.0436 909 ASN A O 6886 C CB . ASN B 231 ? 0.5790 0.7995 0.6794 0.1288 0.0383 0.0462 909 ASN A CB 6887 C CG . ASN B 231 ? 0.6825 0.9169 0.7899 0.1358 0.0450 0.0470 909 ASN A CG 6888 O OD1 . ASN B 231 ? 0.6788 0.9322 0.7995 0.1403 0.0444 0.0474 909 ASN A OD1 6889 N ND2 . ASN B 231 ? 0.7081 0.9335 0.8065 0.1371 0.0512 0.0471 909 ASN A ND2 6890 N N . ILE B 232 ? 0.5823 0.7739 0.6544 0.1524 0.0395 0.0428 910 ILE A N 6891 C CA . ILE B 232 ? 0.6004 0.7934 0.6705 0.1649 0.0401 0.0416 910 ILE A CA 6892 C C . ILE B 232 ? 0.6035 0.8055 0.6768 0.1686 0.0481 0.0415 910 ILE A C 6893 O O . ILE B 232 ? 0.5548 0.7478 0.6206 0.1645 0.0525 0.0413 910 ILE A O 6894 C CB . ILE B 232 ? 0.5474 0.7167 0.6004 0.1701 0.0372 0.0399 910 ILE A CB 6895 C CG1 . ILE B 232 ? 0.5937 0.7524 0.6417 0.1654 0.0303 0.0405 910 ILE A CG1 6896 C CG2 . ILE B 232 ? 0.4828 0.6534 0.5344 0.1834 0.0370 0.0386 910 ILE A CG2 6897 C CD1 . ILE B 232 ? 0.6615 0.7976 0.6939 0.1700 0.0277 0.0395 910 ILE A CD1 6898 N N . ASN B 233 ? 0.6398 0.8595 0.7235 0.1767 0.0501 0.0417 911 ASN A N 6899 C CA . ASN B 233 ? 0.6201 0.8500 0.7069 0.1817 0.0582 0.0417 911 ASN A CA 6900 C C . ASN B 233 ? 0.5679 0.7887 0.6444 0.1952 0.0591 0.0390 911 ASN A C 6901 O O . ASN B 233 ? 0.5761 0.7915 0.6499 0.2022 0.0536 0.0379 911 ASN A O 6902 C CB . ASN B 233 ? 0.6351 0.8935 0.7425 0.1813 0.0612 0.0440 911 ASN A CB 6903 C CG . ASN B 233 ? 0.6874 0.9547 0.8051 0.1675 0.0619 0.0466 911 ASN A CG 6904 O OD1 . ASN B 233 ? 0.6390 0.8924 0.7479 0.1593 0.0628 0.0470 911 ASN A OD1 6905 N ND2 . ASN B 233 ? 0.8153 1.1057 0.9521 0.1651 0.0615 0.0484 911 ASN A ND2 6906 N N . PHE B 234 ? 0.5422 0.7608 0.6122 0.1990 0.0660 0.0378 912 PHE A N 6907 C CA . PHE B 234 ? 0.4925 0.7024 0.5522 0.2120 0.0677 0.0346 912 PHE A CA 6908 C C . PHE B 234 ? 0.5136 0.7421 0.5806 0.2185 0.0763 0.0350 912 PHE A C 6909 O O . PHE B 234 ? 0.5795 0.8121 0.6461 0.2133 0.0825 0.0362 912 PHE A O 6910 C CB . PHE B 234 ? 0.4811 0.6646 0.5211 0.2111 0.0671 0.0317 912 PHE A CB 6911 C CG . PHE B 234 ? 0.5171 0.6820 0.5496 0.2053 0.0596 0.0315 912 PHE A CG 6912 C CD1 . PHE B 234 ? 0.4939 0.6462 0.5198 0.2127 0.0543 0.0299 912 PHE A CD1 6913 C CD2 . PHE B 234 ? 0.5117 0.6715 0.5435 0.1928 0.0583 0.0332 912 PHE A CD2 6914 C CE1 . PHE B 234 ? 0.4337 0.5691 0.4524 0.2073 0.0481 0.0303 912 PHE A CE1 6915 C CE2 . PHE B 234 ? 0.5213 0.6648 0.5463 0.1878 0.0521 0.0331 912 PHE A CE2 6916 C CZ . PHE B 234 ? 0.4529 0.5845 0.4714 0.1948 0.0472 0.0318 912 PHE A CZ 6917 N N . SER B 235 ? 0.5093 0.7491 0.5826 0.2303 0.0768 0.0341 913 SER A N 6918 C CA . SER B 235 ? 0.4994 0.7590 0.5809 0.2379 0.0853 0.0345 913 SER A CA 6919 C C . SER B 235 ? 0.5860 0.8317 0.6516 0.2508 0.0884 0.0301 913 SER A C 6920 O O . SER B 235 ? 0.6604 0.8929 0.7182 0.2596 0.0834 0.0273 913 SER A O 6921 C CB . SER B 235 ? 0.5448 0.8299 0.6467 0.2426 0.0842 0.0364 913 SER A CB 6922 O OG . SER B 235 ? 0.6660 0.9689 0.7748 0.2527 0.0924 0.0363 913 SER A OG 6923 N N . LEU B 236 ? 0.5643 0.8121 0.6241 0.2521 0.0966 0.0296 914 LEU A N 6924 C CA . LEU B 236 ? 0.5422 0.7803 0.5877 0.2650 0.1008 0.0252 914 LEU A CA 6925 C C . LEU B 236 ? 0.4690 0.7329 0.5267 0.2742 0.1095 0.0265 914 LEU A C 6926 O O . LEU B 236 ? 0.6713 0.9523 0.7377 0.2685 0.1168 0.0300 914 LEU A O 6927 C CB . LEU B 236 ? 0.5029 0.7231 0.5304 0.2607 0.1035 0.0232 914 LEU A CB 6928 C CG . LEU B 236 ? 0.4859 0.7006 0.4994 0.2730 0.1098 0.0189 914 LEU A CG 6929 C CD1 . LEU B 236 ? 0.5265 0.7247 0.5298 0.2853 0.1050 0.0137 914 LEU A CD1 6930 C CD2 . LEU B 236 ? 0.4889 0.6878 0.4858 0.2674 0.1115 0.0174 914 LEU A CD2 6931 N N . GLU B 237 ? 0.4800 0.7467 0.5386 0.2884 0.1091 0.0238 915 GLU A N 6932 C CA . GLU B 237 ? 0.5921 0.8846 0.6637 0.2985 0.1172 0.0248 915 GLU A CA 6933 C C . GLU B 237 ? 0.6422 0.9237 0.6970 0.3133 0.1224 0.0196 915 GLU A C 6934 O O . GLU B 237 ? 0.6703 0.9274 0.7089 0.3203 0.1170 0.0148 915 GLU A O 6935 C CB . GLU B 237 ? 0.6317 0.9420 0.7219 0.3041 0.1127 0.0263 915 GLU A CB 6936 C CG . GLU B 237 ? 0.7015 1.0240 0.8088 0.2902 0.1070 0.0309 915 GLU A CG 6937 C CD . GLU B 237 ? 0.7623 1.1049 0.8888 0.2962 0.1024 0.0323 915 GLU A CD 6938 O OE1 . GLU B 237 ? 0.8035 1.1603 0.9363 0.3101 0.1066 0.0312 915 GLU A OE1 6939 O OE2 . GLU B 237 ? 0.7463 1.0908 0.8812 0.2874 0.0944 0.0344 915 GLU A OE2 6940 N N . THR B 238 ? 0.6418 0.9409 0.7002 0.3179 0.1331 0.0207 916 THR A N 6941 C CA . THR B 238 ? 0.6436 0.9356 0.6867 0.3325 0.1394 0.0158 916 THR A CA 6942 C C . THR B 238 ? 0.5313 0.8539 0.5901 0.3399 0.1497 0.0184 916 THR A C 6943 O O . THR B 238 ? 0.7135 1.0620 0.7935 0.3319 0.1533 0.0243 916 THR A O 6944 C CB . THR B 238 ? 0.6361 0.9082 0.6572 0.3283 0.1422 0.0133 916 THR A CB 6945 O OG1 . THR B 238 ? 0.7509 1.0239 0.7605 0.3422 0.1507 0.0095 916 THR A OG1 6946 C CG2 . THR B 238 ? 0.5919 0.8759 0.6207 0.3131 0.1464 0.0192 916 THR A CG2 6947 N N . TRP B 239 ? 0.5522 0.8676 0.5992 0.3510 0.1527 0.0139 917 TRP A N 6948 C CA . TRP B 239 ? 0.5599 0.8989 0.6192 0.3550 0.1607 0.0160 917 TRP A CA 6949 C C . TRP B 239 ? 0.5557 0.9096 0.6181 0.3467 0.1709 0.0206 917 TRP A C 6950 O O . TRP B 239 ? 0.5620 0.9363 0.6348 0.3486 0.1789 0.0230 917 TRP A O 6951 C CB . TRP B 239 ? 0.5851 0.9102 0.6282 0.3691 0.1617 0.0098 917 TRP A CB 6952 C CG . TRP B 239 ? 0.5920 0.9069 0.6353 0.3782 0.1530 0.0063 917 TRP A CG 6953 C CD1 . TRP B 239 ? 0.6017 0.8860 0.6258 0.3835 0.1453 0.0008 917 TRP A CD1 6954 C CD2 . TRP B 239 ? 0.5910 0.9258 0.6548 0.3829 0.1510 0.0083 917 TRP A CD2 6955 N NE1 . TRP B 239 ? 0.6074 0.8903 0.6377 0.3912 0.1389 -0.0004 917 TRP A NE1 6956 C CE2 . TRP B 239 ? 0.6009 0.9148 0.6553 0.3913 0.1420 0.0041 917 TRP A CE2 6957 C CE3 . TRP B 239 ? 0.5934 0.9613 0.6825 0.3805 0.1557 0.0133 917 TRP A CE3 6958 C CZ2 . TRP B 239 ? 0.6877 1.0127 0.7564 0.3981 0.1375 0.0049 917 TRP A CZ2 6959 C CZ3 . TRP B 239 ? 0.5860 0.9659 0.6903 0.3871 0.1509 0.0136 917 TRP A CZ3 6960 C CH2 . TRP B 239 ? 0.5961 0.9545 0.6897 0.3960 0.1419 0.0095 917 TRP A CH2 6961 N N . PHE B 240 ? 0.6593 1.0029 0.7128 0.3376 0.1710 0.0220 918 PHE A N 6962 C CA . PHE B 240 ? 0.6566 1.0115 0.7115 0.3288 0.1802 0.0270 918 PHE A CA 6963 C C . PHE B 240 ? 0.6378 1.0054 0.7093 0.3146 0.1793 0.0334 918 PHE A C 6964 O O . PHE B 240 ? 0.6332 1.0084 0.7056 0.3062 0.1866 0.0381 918 PHE A O 6965 C CB . PHE B 240 ? 0.5554 0.8861 0.5818 0.3311 0.1823 0.0231 918 PHE A CB 6966 C CG . PHE B 240 ? 0.6366 0.9534 0.6449 0.3446 0.1831 0.0164 918 PHE A CG 6967 C CD1 . PHE B 240 ? 0.6497 0.9787 0.6571 0.3494 0.1924 0.0174 918 PHE A CD1 6968 C CD2 . PHE B 240 ? 0.6543 0.9457 0.6469 0.3524 0.1746 0.0092 918 PHE A CD2 6969 C CE1 . PHE B 240 ? 0.6179 0.9342 0.6085 0.3621 0.1932 0.0110 918 PHE A CE1 6970 C CE2 . PHE B 240 ? 0.6938 0.9718 0.6699 0.3646 0.1752 0.0029 918 PHE A CE2 6971 C CZ . PHE B 240 ? 0.6268 0.9174 0.6018 0.3696 0.1844 0.0037 918 PHE A CZ 6972 N N . GLY B 241 ? 0.5055 0.8735 0.5890 0.3106 0.1701 0.0338 919 GLY A N 6973 C CA . GLY B 241 ? 0.4872 0.8628 0.5853 0.2932 0.1668 0.0394 919 GLY A CA 6974 C C . GLY B 241 ? 0.5958 0.9565 0.6949 0.2873 0.1533 0.0376 919 GLY A C 6975 O O . GLY B 241 ? 0.6207 0.9685 0.7126 0.2968 0.1468 0.0329 919 GLY A O 6976 N N . LYS B 242 ? 0.5994 0.9617 0.7073 0.2713 0.1496 0.0418 920 LYS A N 6977 C CA . LYS B 242 ? 0.5427 0.8937 0.6533 0.2639 0.1375 0.0411 920 LYS A CA 6978 C C . LYS B 242 ? 0.5338 0.8738 0.6402 0.2476 0.1353 0.0439 920 LYS A C 6979 O O . LYS B 242 ? 0.5571 0.9119 0.6738 0.2387 0.1417 0.0488 920 LYS A O 6980 C CB . LYS B 242 ? 0.5479 0.9234 0.6838 0.2634 0.1342 0.0436 920 LYS A CB 6981 C CG . LYS B 242 ? 0.6260 0.9908 0.7642 0.2569 0.1216 0.0428 920 LYS A CG 6982 C CD . LYS B 242 ? 0.6838 1.0746 0.8469 0.2576 0.1181 0.0450 920 LYS A CD 6983 C CE . LYS B 242 ? 0.7311 1.1127 0.8963 0.2498 0.1060 0.0448 920 LYS A CE 6984 N NZ . LYS B 242 ? 0.7920 1.1488 0.9396 0.2588 0.0983 0.0405 920 LYS A NZ 6985 N N . GLU B 243 ? 0.5453 0.8593 0.6369 0.2439 0.1267 0.0409 921 GLU A N 6986 C CA . GLU B 243 ? 0.5261 0.8268 0.6115 0.2298 0.1239 0.0428 921 GLU A CA 6987 C C . GLU B 243 ? 0.5794 0.8715 0.6690 0.2227 0.1130 0.0424 921 GLU A C 6988 O O . GLU B 243 ? 0.5725 0.8557 0.6581 0.2301 0.1065 0.0391 921 GLU A O 6989 C CB . GLU B 243 ? 0.5927 0.8687 0.6537 0.2318 0.1246 0.0394 921 GLU A CB 6990 C CG . GLU B 243 ? 0.7228 0.9821 0.7761 0.2187 0.1200 0.0405 921 GLU A CG 6991 C CD . GLU B 243 ? 0.8166 1.0497 0.8465 0.2215 0.1175 0.0360 921 GLU A CD 6992 O OE1 . GLU B 243 ? 0.8861 1.1139 0.9046 0.2332 0.1204 0.0320 921 GLU A OE1 6993 O OE2 . GLU B 243 ? 0.8093 1.0273 0.8326 0.2122 0.1125 0.0361 921 GLU A OE2 6994 N N . ILE B 244 ? 0.5606 0.8547 0.6574 0.2088 0.1110 0.0459 922 ILE A N 6995 C CA . ILE B 244 ? 0.4604 0.7462 0.5600 0.2010 0.1013 0.0457 922 ILE A CA 6996 C C . ILE B 244 ? 0.5008 0.7653 0.5865 0.1913 0.0990 0.0456 922 ILE A C 6997 O O . ILE B 244 ? 0.5181 0.7849 0.6036 0.1841 0.1044 0.0485 922 ILE A O 6998 C CB . ILE B 244 ? 0.4391 0.7476 0.5616 0.1933 0.0999 0.0494 922 ILE A CB 6999 C CG1 . ILE B 244 ? 0.5217 0.8511 0.6586 0.2037 0.1003 0.0490 922 ILE A CG1 7000 C CG2 . ILE B 244 ? 0.4304 0.7282 0.5530 0.1838 0.0904 0.0492 922 ILE A CG2 7001 C CD1 . ILE B 244 ? 0.6032 0.9557 0.7636 0.1967 0.0974 0.0518 922 ILE A CD1 7002 N N . LEU B 245 ? 0.5136 0.7577 0.5880 0.1914 0.0912 0.0426 923 LEU A N 7003 C CA . LEU B 245 ? 0.5733 0.7969 0.6349 0.1830 0.0881 0.0421 923 LEU A CA 7004 C C . LEU B 245 ? 0.6868 0.9081 0.7550 0.1742 0.0806 0.0432 923 LEU A C 7005 O O . LEU B 245 ? 0.7358 0.9520 0.8034 0.1782 0.0742 0.0414 923 LEU A O 7006 C CB . LEU B 245 ? 0.5702 0.7713 0.6126 0.1901 0.0858 0.0376 923 LEU A CB 7007 C CG . LEU B 245 ? 0.6436 0.8234 0.6731 0.1824 0.0820 0.0365 923 LEU A CG 7008 C CD1 . LEU B 245 ? 0.7190 0.9016 0.7478 0.1744 0.0871 0.0393 923 LEU A CD1 7009 C CD2 . LEU B 245 ? 0.6569 0.8163 0.6691 0.1898 0.0799 0.0317 923 LEU A CD2 7010 N N . VAL B 246 ? 0.6870 0.9116 0.7609 0.1626 0.0813 0.0462 924 VAL A N 7011 C CA . VAL B 246 ? 0.6600 0.8832 0.7402 0.1538 0.0747 0.0471 924 VAL A CA 7012 C C . VAL B 246 ? 0.6187 0.8181 0.6836 0.1498 0.0703 0.0453 924 VAL A C 7013 O O . VAL B 246 ? 0.6497 0.8391 0.7053 0.1467 0.0734 0.0454 924 VAL A O 7014 C CB . VAL B 246 ? 0.6882 0.9262 0.7824 0.1433 0.0776 0.0509 924 VAL A CB 7015 C CG1 . VAL B 246 ? 0.6567 0.8909 0.7552 0.1343 0.0703 0.0510 924 VAL A CG1 7016 C CG2 . VAL B 246 ? 0.6953 0.9585 0.8066 0.1468 0.0821 0.0528 924 VAL A CG2 7017 N N . LYS B 247 ? 0.5398 0.7306 0.6023 0.1499 0.0630 0.0438 925 LYS A N 7018 C CA . LYS B 247 ? 0.5021 0.6709 0.5508 0.1471 0.0590 0.0421 925 LYS A CA 7019 C C . LYS B 247 ? 0.5384 0.7050 0.5907 0.1403 0.0527 0.0428 925 LYS A C 7020 O O . LYS B 247 ? 0.5528 0.7337 0.6170 0.1393 0.0503 0.0439 925 LYS A O 7021 C CB . LYS B 247 ? 0.5121 0.6674 0.5489 0.1569 0.0572 0.0390 925 LYS A CB 7022 C CG . LYS B 247 ? 0.5945 0.7325 0.6170 0.1567 0.0589 0.0370 925 LYS A CG 7023 C CD . LYS B 247 ? 0.6229 0.7679 0.6442 0.1599 0.0659 0.0370 925 LYS A CD 7024 C CE . LYS B 247 ? 0.6479 0.7754 0.6542 0.1602 0.0664 0.0344 925 LYS A CE 7025 N NZ . LYS B 247 ? 0.7354 0.8688 0.7384 0.1644 0.0729 0.0342 925 LYS A NZ 7026 N N . THR B 248 ? 0.4902 0.6390 0.5319 0.1356 0.0498 0.0420 926 THR A N 7027 C CA . THR B 248 ? 0.5179 0.6624 0.5605 0.1294 0.0444 0.0425 926 THR A CA 7028 C C . THR B 248 ? 0.5142 0.6385 0.5433 0.1308 0.0407 0.0410 926 THR A C 7029 O O . THR B 248 ? 0.5048 0.6164 0.5248 0.1298 0.0427 0.0400 926 THR A O 7030 C CB . THR B 248 ? 0.5718 0.7183 0.6185 0.1187 0.0458 0.0441 926 THR A CB 7031 O OG1 . THR B 248 ? 0.6540 0.8197 0.7147 0.1165 0.0487 0.0459 926 THR A OG1 7032 C CG2 . THR B 248 ? 0.5527 0.6917 0.5973 0.1128 0.0403 0.0439 926 THR A CG2 7033 N N . LEU B 249 ? 0.5051 0.6269 0.5334 0.1331 0.0354 0.0409 927 LEU A N 7034 C CA . LEU B 249 ? 0.5269 0.6301 0.5431 0.1341 0.0320 0.0402 927 LEU A CA 7035 C C . LEU B 249 ? 0.5204 0.6190 0.5354 0.1258 0.0290 0.0412 927 LEU A C 7036 O O . LEU B 249 ? 0.5089 0.6175 0.5309 0.1238 0.0259 0.0419 927 LEU A O 7037 C CB . LEU B 249 ? 0.4814 0.5832 0.4955 0.1434 0.0285 0.0400 927 LEU A CB 7038 C CG . LEU B 249 ? 0.4548 0.5367 0.4562 0.1453 0.0254 0.0399 927 LEU A CG 7039 C CD1 . LEU B 249 ? 0.3931 0.4602 0.3852 0.1463 0.0284 0.0381 927 LEU A CD1 7040 C CD2 . LEU B 249 ? 0.4457 0.5284 0.4463 0.1545 0.0215 0.0404 927 LEU A CD2 7041 N N . ARG B 250 ? 0.5058 0.5897 0.5122 0.1213 0.0298 0.0408 928 ARG A N 7042 C CA . ARG B 250 ? 0.4427 0.5207 0.4466 0.1140 0.0278 0.0415 928 ARG A CA 7043 C C . ARG B 250 ? 0.4986 0.5637 0.4932 0.1167 0.0241 0.0419 928 ARG A C 7044 O O . ARG B 250 ? 0.5441 0.5955 0.5303 0.1186 0.0250 0.0415 928 ARG A O 7045 C CB . ARG B 250 ? 0.4002 0.4709 0.4010 0.1078 0.0311 0.0412 928 ARG A CB 7046 C CG . ARG B 250 ? 0.5461 0.6094 0.5432 0.1010 0.0296 0.0416 928 ARG A CG 7047 C CD . ARG B 250 ? 0.6923 0.7474 0.6858 0.0964 0.0327 0.0413 928 ARG A CD 7048 N NE . ARG B 250 ? 0.8353 0.8984 0.8345 0.0947 0.0363 0.0414 928 ARG A NE 7049 C CZ . ARG B 250 ? 0.8588 0.9295 0.8642 0.0894 0.0373 0.0422 928 ARG A CZ 7050 N NH1 . ARG B 250 ? 0.8712 0.9427 0.8783 0.0852 0.0347 0.0424 928 ARG A NH1 7051 N NH2 . ARG B 250 ? 0.8255 0.9023 0.8350 0.0883 0.0410 0.0429 928 ARG A NH2 7052 N N . VAL B 251 ? 0.5093 0.5784 0.5049 0.1165 0.0199 0.0427 929 VAL A N 7053 C CA . VAL B 251 ? 0.5011 0.5588 0.4873 0.1194 0.0164 0.0438 929 VAL A CA 7054 C C . VAL B 251 ? 0.5469 0.5970 0.5278 0.1122 0.0158 0.0443 929 VAL A C 7055 O O . VAL B 251 ? 0.5878 0.6462 0.5737 0.1074 0.0144 0.0438 929 VAL A O 7056 C CB . VAL B 251 ? 0.4927 0.5597 0.4822 0.1256 0.0116 0.0445 929 VAL A CB 7057 C CG1 . VAL B 251 ? 0.4522 0.5055 0.4301 0.1301 0.0084 0.0462 929 VAL A CG1 7058 C CG2 . VAL B 251 ? 0.4963 0.5744 0.4937 0.1324 0.0128 0.0438 929 VAL A CG2 7059 N N . VAL B 252 ? 0.5511 0.5855 0.5222 0.1116 0.0170 0.0451 930 VAL A N 7060 C CA . VAL B 252 ? 0.5498 0.5759 0.5153 0.1052 0.0179 0.0456 930 VAL A CA 7061 C C . VAL B 252 ? 0.6744 0.6913 0.6300 0.1077 0.0149 0.0476 930 VAL A C 7062 O O . VAL B 252 ? 0.7435 0.7543 0.6944 0.1139 0.0136 0.0489 930 VAL A O 7063 C CB . VAL B 252 ? 0.4568 0.4734 0.4199 0.1019 0.0222 0.0451 930 VAL A CB 7064 C CG1 . VAL B 252 ? 0.5504 0.5559 0.5063 0.0973 0.0234 0.0462 930 VAL A CG1 7065 C CG2 . VAL B 252 ? 0.3730 0.3986 0.3443 0.0981 0.0249 0.0436 930 VAL A CG2 7066 N N . PRO B 253 ? 0.6622 0.6773 0.6137 0.1036 0.0138 0.0479 931 PRO A N 7067 C CA . PRO B 253 ? 0.6430 0.6487 0.5835 0.1062 0.0115 0.0502 931 PRO A CA 7068 C C . PRO B 253 ? 0.6333 0.6230 0.5654 0.1060 0.0151 0.0523 931 PRO A C 7069 O O . PRO B 253 ? 0.5546 0.5406 0.4894 0.1027 0.0190 0.0515 931 PRO A O 7070 C CB . PRO B 253 ? 0.5722 0.5800 0.5103 0.1010 0.0104 0.0494 931 PRO A CB 7071 C CG . PRO B 253 ? 0.6065 0.6272 0.5562 0.0969 0.0105 0.0466 931 PRO A CG 7072 C CD . PRO B 253 ? 0.6362 0.6579 0.5924 0.0970 0.0144 0.0462 931 PRO A CD 7073 N N . GLU B 254 ? 0.6180 0.5981 0.5396 0.1096 0.0135 0.0552 932 GLU A N 7074 C CA . GLU B 254 ? 0.5754 0.5396 0.4884 0.1085 0.0170 0.0579 932 GLU A CA 7075 C C . GLU B 254 ? 0.5729 0.5338 0.4837 0.1014 0.0208 0.0579 932 GLU A C 7076 O O . GLU B 254 ? 0.6358 0.6051 0.5498 0.0980 0.0202 0.0558 932 GLU A O 7077 C CB . GLU B 254 ? 0.5801 0.5347 0.4817 0.1143 0.0145 0.0616 932 GLU A CB 7078 C CG . GLU B 254 ? 0.5895 0.5479 0.4925 0.1227 0.0100 0.0619 932 GLU A CG 7079 C CD . GLU B 254 ? 0.6162 0.5897 0.5234 0.1254 0.0045 0.0604 932 GLU A CD 7080 O OE1 . GLU B 254 ? 0.6687 0.6512 0.5802 0.1200 0.0043 0.0581 932 GLU A OE1 7081 O OE2 . GLU B 254 ? 0.5735 0.5501 0.4801 0.1329 0.0002 0.0613 932 GLU A OE2 7082 N N . GLY B 255 ? 0.5448 0.4931 0.4501 0.0993 0.0248 0.0602 933 GLY A N 7083 C CA . GLY B 255 ? 0.5368 0.4814 0.4395 0.0934 0.0290 0.0608 933 GLY A CA 7084 C C . GLY B 255 ? 0.6387 0.5907 0.5514 0.0880 0.0315 0.0575 933 GLY A C 7085 O O . GLY B 255 ? 0.6544 0.6124 0.5755 0.0883 0.0308 0.0551 933 GLY A O 7086 N N . VAL B 256 ? 0.7040 0.6550 0.6148 0.0835 0.0347 0.0576 934 VAL A N 7087 C CA . VAL B 256 ? 0.6731 0.6295 0.5920 0.0787 0.0375 0.0550 934 VAL A CA 7088 C C . VAL B 256 ? 0.6884 0.6543 0.6100 0.0777 0.0352 0.0524 934 VAL A C 7089 O O . VAL B 256 ? 0.6955 0.6616 0.6104 0.0790 0.0330 0.0526 934 VAL A O 7090 C CB . VAL B 256 ? 0.7304 0.6804 0.6468 0.0746 0.0427 0.0566 934 VAL A CB 7091 C CG1 . VAL B 256 ? 0.8148 0.7706 0.7403 0.0705 0.0451 0.0541 934 VAL A CG1 7092 C CG2 . VAL B 256 ? 0.7650 0.7050 0.6789 0.0747 0.0449 0.0595 934 VAL A CG2 7093 N N . LYS B 257 ? 0.6692 0.6425 0.6001 0.0754 0.0356 0.0498 935 LYS A N 7094 C CA . LYS B 257 ? 0.6271 0.6076 0.5611 0.0731 0.0345 0.0474 935 LYS A CA 7095 C C . LYS B 257 ? 0.5815 0.5581 0.5124 0.0696 0.0383 0.0471 935 LYS A C 7096 O O . LYS B 257 ? 0.5829 0.5563 0.5162 0.0676 0.0422 0.0478 935 LYS A O 7097 C CB . LYS B 257 ? 0.6258 0.6148 0.5701 0.0720 0.0341 0.0454 935 LYS A CB 7098 C CG . LYS B 257 ? 0.6369 0.6331 0.5850 0.0696 0.0325 0.0432 935 LYS A CG 7099 C CD . LYS B 257 ? 0.6493 0.6538 0.6071 0.0688 0.0324 0.0421 935 LYS A CD 7100 C CE . LYS B 257 ? 0.7270 0.7300 0.6884 0.0658 0.0362 0.0417 935 LYS A CE 7101 N NZ . LYS B 257 ? 0.8122 0.8230 0.7815 0.0647 0.0362 0.0410 935 LYS A NZ 7102 N N . ARG B 258 ? 0.5527 0.5298 0.4786 0.0690 0.0369 0.0459 936 ARG A N 7103 C CA . ARG B 258 ? 0.5566 0.5304 0.4792 0.0664 0.0404 0.0451 936 ARG A CA 7104 C C . ARG B 258 ? 0.5513 0.5299 0.4761 0.0645 0.0379 0.0417 936 ARG A C 7105 O O . ARG B 258 ? 0.5098 0.4924 0.4336 0.0655 0.0331 0.0405 936 ARG A O 7106 C CB . ARG B 258 ? 0.5632 0.5292 0.4737 0.0679 0.0421 0.0471 936 ARG A CB 7107 C CG . ARG B 258 ? 0.5716 0.5311 0.4800 0.0685 0.0459 0.0508 936 ARG A CG 7108 C CD . ARG B 258 ? 0.6048 0.5634 0.5185 0.0653 0.0515 0.0510 936 ARG A CD 7109 N NE . ARG B 258 ? 0.6621 0.6229 0.5856 0.0642 0.0518 0.0512 936 ARG A NE 7110 C CZ . ARG B 258 ? 0.6024 0.5588 0.5274 0.0632 0.0548 0.0535 936 ARG A CZ 7111 N NH1 . ARG B 258 ? 0.5635 0.5133 0.4816 0.0629 0.0585 0.0565 936 ARG A NH1 7112 N NH2 . ARG B 258 ? 0.6024 0.5608 0.5358 0.0623 0.0542 0.0528 936 ARG A NH2 7113 N N . GLU B 259 ? 0.6140 0.5924 0.5422 0.0618 0.0410 0.0403 937 GLU A N 7114 C CA . GLU B 259 ? 0.6852 0.6672 0.6174 0.0594 0.0393 0.0372 937 GLU A CA 7115 C C . GLU B 259 ? 0.7370 0.7134 0.6630 0.0584 0.0420 0.0355 937 GLU A C 7116 O O . GLU B 259 ? 0.7967 0.7702 0.7235 0.0581 0.0468 0.0363 937 GLU A O 7117 C CB . GLU B 259 ? 0.7687 0.7555 0.7116 0.0578 0.0405 0.0373 937 GLU A CB 7118 C CG . GLU B 259 ? 0.9143 0.9070 0.8634 0.0557 0.0374 0.0354 937 GLU A CG 7119 C CD . GLU B 259 ? 0.9858 0.9837 0.9443 0.0550 0.0386 0.0364 937 GLU A CD 7120 O OE1 . GLU B 259 ? 1.0222 1.0193 0.9822 0.0566 0.0409 0.0381 937 GLU A OE1 7121 O OE2 . GLU B 259 ? 1.0156 1.0182 0.9798 0.0529 0.0372 0.0355 937 GLU A OE2 7122 N N . SER B 260 ? 0.7101 0.6851 0.6300 0.0580 0.0388 0.0328 938 SER A N 7123 C CA . SER B 260 ? 0.6986 0.6677 0.6118 0.0574 0.0408 0.0303 938 SER A CA 7124 C C . SER B 260 ? 0.6767 0.6470 0.5947 0.0543 0.0384 0.0268 938 SER A C 7125 O O . SER B 260 ? 0.6479 0.6241 0.5724 0.0525 0.0341 0.0262 938 SER A O 7126 C CB . SER B 260 ? 0.7128 0.6771 0.6124 0.0596 0.0391 0.0295 938 SER A CB 7127 O OG . SER B 260 ? 0.7891 0.7574 0.6880 0.0596 0.0323 0.0281 938 SER A OG 7128 N N . TYR B 261 ? 0.6820 0.6467 0.5970 0.0537 0.0414 0.0247 939 TYR A N 7129 C CA . TYR B 261 ? 0.6430 0.6068 0.5627 0.0507 0.0400 0.0218 939 TYR A CA 7130 C C . TYR B 261 ? 0.6819 0.6376 0.5914 0.0508 0.0394 0.0175 939 TYR A C 7131 O O . TYR B 261 ? 0.7234 0.6737 0.6238 0.0537 0.0430 0.0173 939 TYR A O 7132 C CB . TYR B 261 ? 0.5826 0.5468 0.5106 0.0503 0.0444 0.0235 939 TYR A CB 7133 C CG . TYR B 261 ? 0.7058 0.6768 0.6418 0.0510 0.0455 0.0273 939 TYR A CG 7134 C CD1 . TYR B 261 ? 0.7752 0.7527 0.7193 0.0492 0.0426 0.0282 939 TYR A CD1 7135 C CD2 . TYR B 261 ? 0.7456 0.7163 0.6810 0.0533 0.0494 0.0298 939 TYR A CD2 7136 C CE1 . TYR B 261 ? 0.8016 0.7844 0.7517 0.0503 0.0435 0.0312 939 TYR A CE1 7137 C CE2 . TYR B 261 ? 0.7774 0.7532 0.7195 0.0537 0.0499 0.0327 939 TYR A CE2 7138 C CZ . TYR B 261 ? 0.8202 0.8016 0.7689 0.0525 0.0468 0.0332 939 TYR A CZ 7139 O OH . TYR B 261 ? 0.8686 0.8543 0.8228 0.0535 0.0472 0.0355 939 TYR A OH 7140 N N . SER B 262 ? 0.6924 0.6470 0.6034 0.0475 0.0350 0.0140 940 SER A N 7141 C CA . SER B 262 ? 0.7806 0.7264 0.6820 0.0471 0.0337 0.0091 940 SER A CA 7142 C C . SER B 262 ? 0.8575 0.7997 0.7654 0.0433 0.0332 0.0068 940 SER A C 7143 O O . SER B 262 ? 0.8527 0.8006 0.7705 0.0394 0.0300 0.0075 940 SER A O 7144 C CB . SER B 262 ? 0.8521 0.7982 0.7456 0.0467 0.0271 0.0060 940 SER A CB 7145 O OG . SER B 262 ? 0.9284 0.8653 0.8125 0.0460 0.0253 0.0005 940 SER A OG 7146 N N . GLY B 263 ? 0.9293 0.8620 0.8314 0.0447 0.0365 0.0042 941 GLY A N 7147 C CA . GLY B 263 ? 0.9644 0.8915 0.8717 0.0417 0.0367 0.0025 941 GLY A CA 7148 C C . GLY B 263 ? 0.9452 0.8608 0.8423 0.0411 0.0345 -0.0036 941 GLY A C 7149 O O . GLY B 263 ? 0.9756 0.8855 0.8606 0.0450 0.0361 -0.0062 941 GLY A O 7150 N N . VAL B 264 ? 0.8936 0.8054 0.7955 0.0360 0.0309 -0.0061 942 VAL A N 7151 C CA . VAL B 264 ? 0.8688 0.7687 0.7621 0.0341 0.0276 -0.0126 942 VAL A CA 7152 C C . VAL B 264 ? 0.8332 0.7258 0.7336 0.0303 0.0283 -0.0129 942 VAL A C 7153 O O . VAL B 264 ? 0.8631 0.7624 0.7758 0.0260 0.0276 -0.0093 942 VAL A O 7154 C CB . VAL B 264 ? 0.8734 0.7766 0.7641 0.0302 0.0195 -0.0164 942 VAL A CB 7155 C CG1 . VAL B 264 ? 0.8401 0.7304 0.7229 0.0274 0.0153 -0.0237 942 VAL A CG1 7156 C CG2 . VAL B 264 ? 0.9283 0.8367 0.8098 0.0348 0.0188 -0.0159 942 VAL A CG2 7157 N N . THR B 265 ? 0.8115 0.6900 0.7034 0.0321 0.0300 -0.0171 943 THR A N 7158 C CA . THR B 265 ? 0.8564 0.7250 0.7530 0.0289 0.0307 -0.0177 943 THR A CA 7159 C C . THR B 265 ? 0.8255 0.6834 0.7165 0.0237 0.0244 -0.0247 943 THR A C 7160 O O . THR B 265 ? 0.8741 0.7249 0.7519 0.0263 0.0224 -0.0305 943 THR A O 7161 C CB . THR B 265 ? 0.9754 0.8348 0.8673 0.0353 0.0374 -0.0171 943 THR A CB 7162 O OG1 . THR B 265 ? 1.0478 0.9177 0.9480 0.0386 0.0423 -0.0103 943 THR A OG1 7163 C CG2 . THR B 265 ? 1.0065 0.8522 0.8999 0.0327 0.0374 -0.0187 943 THR A CG2 7164 N N . LEU B 266 ? 0.7513 0.6084 0.6523 0.0163 0.0214 -0.0241 944 LEU A N 7165 C CA . LEU B 266 ? 0.7217 0.5693 0.6203 0.0097 0.0149 -0.0305 944 LEU A CA 7166 C C . LEU B 266 ? 0.7533 0.5830 0.6499 0.0088 0.0175 -0.0321 944 LEU A C 7167 O O . LEU B 266 ? 0.7861 0.6156 0.6931 0.0060 0.0204 -0.0270 944 LEU A O 7168 C CB . LEU B 266 ? 0.7055 0.5650 0.6177 0.0012 0.0096 -0.0287 944 LEU A CB 7169 C CG . LEU B 266 ? 0.7277 0.6024 0.6404 0.0012 0.0046 -0.0293 944 LEU A CG 7170 C CD1 . LEU B 266 ? 0.7452 0.6320 0.6731 -0.0071 -0.0002 -0.0276 944 LEU A CD1 7171 C CD2 . LEU B 266 ? 0.7200 0.5867 0.6174 0.0030 -0.0006 -0.0373 944 LEU A CD2 7172 N N . ASP B 267 ? 0.6900 0.5042 0.5725 0.0119 0.0166 -0.0391 945 ASP A N 7173 C CA . ASP B 267 ? 0.6928 0.4872 0.5707 0.0118 0.0183 -0.0421 945 ASP A CA 7174 C C . ASP B 267 ? 0.7596 0.5421 0.6293 0.0066 0.0107 -0.0513 945 ASP A C 7175 O O . ASP B 267 ? 0.8257 0.5987 0.6799 0.0116 0.0098 -0.0579 945 ASP A O 7176 C CB . ASP B 267 ? 0.7172 0.5036 0.5848 0.0223 0.0252 -0.0423 945 ASP A CB 7177 C CG . ASP B 267 ? 0.8210 0.5866 0.6842 0.0235 0.0274 -0.0448 945 ASP A CG 7178 O OD1 . ASP B 267 ? 0.9253 0.6801 0.7910 0.0158 0.0231 -0.0475 945 ASP A OD1 7179 O OD2 . ASP B 267 ? 0.7763 0.5360 0.6336 0.0322 0.0336 -0.0440 945 ASP A OD2 7180 N N . PRO B 268 ? 0.7623 0.5453 0.6420 -0.0037 0.0051 -0.0520 946 PRO A N 7181 C CA . PRO B 268 ? 0.8137 0.5880 0.6868 -0.0096 -0.0035 -0.0612 946 PRO A CA 7182 C C . PRO B 268 ? 0.8984 0.6479 0.7578 -0.0077 -0.0036 -0.0686 946 PRO A C 7183 O O . PRO B 268 ? 0.9241 0.6652 0.7714 -0.0083 -0.0098 -0.0775 946 PRO A O 7184 C CB . PRO B 268 ? 0.7998 0.5816 0.6902 -0.0214 -0.0081 -0.0588 946 PRO A CB 7185 C CG . PRO B 268 ? 0.7960 0.5823 0.6988 -0.0213 -0.0006 -0.0491 946 PRO A CG 7186 C CD . PRO B 268 ? 0.7580 0.5521 0.6558 -0.0105 0.0061 -0.0446 946 PRO A CD 7187 N N . ARG B 269 ? 0.9028 0.6396 0.7628 -0.0049 0.0027 -0.0654 947 ARG A N 7188 C CA . ARG B 269 ? 0.9006 0.6125 0.7477 -0.0024 0.0030 -0.0723 947 ARG A CA 7189 C C . ARG B 269 ? 0.9081 0.6140 0.7421 0.0106 0.0102 -0.0726 947 ARG A C 7190 O O . ARG B 269 ? 0.9455 0.6308 0.7686 0.0147 0.0118 -0.0777 947 ARG A O 7191 C CB . ARG B 269 ? 0.9186 0.6170 0.7747 -0.0087 0.0044 -0.0692 947 ARG A CB 7192 C CG . ARG B 269 ? 1.0160 0.7121 0.8808 -0.0222 -0.0035 -0.0724 947 ARG A CG 7193 C CD . ARG B 269 ? 1.1600 0.8422 1.0335 -0.0287 -0.0013 -0.0685 947 ARG A CD 7194 N NE . ARG B 269 ? 1.2713 0.9509 1.1537 -0.0424 -0.0088 -0.0719 947 ARG A NE 7195 C CZ . ARG B 269 ? 1.3018 0.9706 1.1938 -0.0510 -0.0080 -0.0686 947 ARG A CZ 7196 N NH1 . ARG B 269 ? 1.2772 0.9361 1.1699 -0.0467 -0.0003 -0.0617 947 ARG A NH1 7197 N NH2 . ARG B 269 ? 1.3388 1.0069 1.2399 -0.0640 -0.0151 -0.0721 947 ARG A NH2 7198 N N . GLY B 270 ? 0.8728 0.5962 0.7080 0.0173 0.0147 -0.0675 948 GLY A N 7199 C CA . GLY B 270 ? 0.9036 0.6242 0.7280 0.0293 0.0217 -0.0676 948 GLY A CA 7200 C C . GLY B 270 ? 0.9694 0.6775 0.7951 0.0344 0.0283 -0.0646 948 GLY A C 7201 O O . GLY B 270 ? 0.9963 0.6896 0.8092 0.0421 0.0314 -0.0694 948 GLY A O 7202 N N . ILE B 271 ? 0.9637 0.6776 0.8042 0.0308 0.0305 -0.0565 949 ILE A N 7203 C CA . ILE B 271 ? 0.9710 0.6732 0.8130 0.0357 0.0362 -0.0528 949 ILE A CA 7204 C C . ILE B 271 ? 0.9432 0.6554 0.7846 0.0469 0.0437 -0.0484 949 ILE A C 7205 O O . ILE B 271 ? 0.9597 0.6601 0.7946 0.0553 0.0483 -0.0496 949 ILE A O 7206 C CB . ILE B 271 ? 0.9917 0.6958 0.8486 0.0277 0.0357 -0.0456 949 ILE A CB 7207 C CG1 . ILE B 271 ? 0.9958 0.6897 0.8544 0.0159 0.0285 -0.0502 949 ILE A CG1 7208 C CG2 . ILE B 271 ? 1.0095 0.7020 0.8674 0.0335 0.0414 -0.0410 949 ILE A CG2 7209 C CD1 . ILE B 271 ? 1.0143 0.6820 0.8596 0.0166 0.0263 -0.0590 949 ILE A CD1 7210 N N . TYR B 272 ? 0.9459 0.6797 0.7944 0.0473 0.0449 -0.0434 950 TYR A N 7211 C CA . TYR B 272 ? 0.9945 0.7398 0.8446 0.0566 0.0516 -0.0388 950 TYR A CA 7212 C C . TYR B 272 ? 1.0413 0.7922 0.8806 0.0623 0.0530 -0.0431 950 TYR A C 7213 O O . TYR B 272 ? 1.0881 0.8505 0.9293 0.0691 0.0585 -0.0394 950 TYR A O 7214 C CB . TYR B 272 ? 1.0051 0.7697 0.8700 0.0537 0.0526 -0.0300 950 TYR A CB 7215 C CG . TYR B 272 ? 1.0346 0.7951 0.9096 0.0474 0.0512 -0.0253 950 TYR A CG 7216 C CD1 . TYR B 272 ? 1.0716 0.8250 0.9496 0.0520 0.0554 -0.0210 950 TYR A CD1 7217 C CD2 . TYR B 272 ? 1.0493 0.8132 0.9307 0.0370 0.0459 -0.0249 950 TYR A CD2 7218 C CE1 . TYR B 272 ? 1.1049 0.8537 0.9908 0.0465 0.0547 -0.0160 950 TYR A CE1 7219 C CE2 . TYR B 272 ? 1.0882 0.8486 0.9788 0.0311 0.0455 -0.0201 950 TYR A CE2 7220 C CZ . TYR B 272 ? 1.1186 0.8709 1.0108 0.0358 0.0500 -0.0155 950 TYR A CZ 7221 O OH . TYR B 272 ? 1.1504 0.8985 1.0504 0.0302 0.0501 -0.0101 950 TYR A OH 7222 N N . GLY B 273 ? 0.9826 0.7255 0.8105 0.0596 0.0481 -0.0508 951 GLY A N 7223 C CA . GLY B 273 ? 0.9648 0.7123 0.7807 0.0649 0.0494 -0.0547 951 GLY A CA 7224 C C . GLY B 273 ? 1.0230 0.7628 0.8280 0.0597 0.0418 -0.0626 951 GLY A C 7225 O O . GLY B 273 ? 1.1193 0.8442 0.9223 0.0543 0.0368 -0.0675 951 GLY A O 7226 N N . THR B 274 ? 0.9453 0.6952 0.7433 0.0613 0.0408 -0.0639 952 THR A N 7227 C CA . THR B 274 ? 0.9181 0.6630 0.7055 0.0566 0.0328 -0.0712 952 THR A CA 7228 C C . THR B 274 ? 0.8303 0.5830 0.6309 0.0455 0.0252 -0.0691 952 THR A C 7229 O O . THR B 274 ? 0.8313 0.5977 0.6475 0.0426 0.0268 -0.0612 952 THR A O 7230 C CB . THR B 274 ? 0.9484 0.7024 0.7242 0.0619 0.0340 -0.0721 952 THR A CB 7231 O OG1 . THR B 274 ? 1.0085 0.7570 0.7726 0.0580 0.0255 -0.0796 952 THR A OG1 7232 C CG2 . THR B 274 ? 0.8416 0.6170 0.6299 0.0607 0.0359 -0.0632 952 THR A CG2 7233 N N . ILE B 275 ? 0.8149 0.5589 0.6093 0.0394 0.0167 -0.0765 953 ILE A N 7234 C CA . ILE B 275 ? 0.8372 0.5891 0.6445 0.0286 0.0091 -0.0753 953 ILE A CA 7235 C C . ILE B 275 ? 0.8624 0.6359 0.6756 0.0283 0.0079 -0.0702 953 ILE A C 7236 O O . ILE B 275 ? 0.9087 0.6870 0.7104 0.0344 0.0090 -0.0712 953 ILE A O 7237 C CB . ILE B 275 ? 0.8521 0.5907 0.6511 0.0223 -0.0002 -0.0852 953 ILE A CB 7238 C CG1 . ILE B 275 ? 1.0565 0.7920 0.8354 0.0281 -0.0031 -0.0924 953 ILE A CG1 7239 C CG2 . ILE B 275 ? 0.8094 0.5260 0.6061 0.0208 0.0006 -0.0893 953 ILE A CG2 7240 C CD1 . ILE B 275 ? 1.1534 0.8750 0.9219 0.0226 -0.0130 -0.1032 953 ILE A CD1 7241 N N . SER B 276 ? 0.8103 0.5967 0.6410 0.0213 0.0058 -0.0644 954 SER A N 7242 C CA . SER B 276 ? 0.7922 0.5990 0.6303 0.0209 0.0048 -0.0589 954 SER A CA 7243 C C . SER B 276 ? 0.8097 0.6251 0.6625 0.0107 -0.0022 -0.0580 954 SER A C 7244 O O . SER B 276 ? 0.8552 0.6756 0.7232 0.0066 0.0003 -0.0522 954 SER A O 7245 C CB . SER B 276 ? 0.7757 0.5925 0.6214 0.0263 0.0134 -0.0502 954 SER A CB 7246 O OG . SER B 276 ? 0.8491 0.6837 0.7005 0.0263 0.0124 -0.0454 954 SER A OG 7247 N N . ARG B 277 ? 0.8002 0.6180 0.6487 0.0068 -0.0110 -0.0637 955 ARG A N 7248 C CA . ARG B 277 ? 0.7803 0.6075 0.6432 -0.0030 -0.0183 -0.0636 955 ARG A CA 7249 C C . ARG B 277 ? 0.8076 0.6550 0.6759 -0.0027 -0.0221 -0.0604 955 ARG A C 7250 O O . ARG B 277 ? 0.8195 0.6794 0.7039 -0.0095 -0.0256 -0.0576 955 ARG A O 7251 C CB . ARG B 277 ? 0.8148 0.6294 0.6717 -0.0093 -0.0271 -0.0733 955 ARG A CB 7252 C CG . ARG B 277 ? 0.8705 0.6630 0.7223 -0.0104 -0.0243 -0.0772 955 ARG A CG 7253 C CD . ARG B 277 ? 0.9218 0.7032 0.7725 -0.0194 -0.0337 -0.0860 955 ARG A CD 7254 N NE . ARG B 277 ? 0.9700 0.7292 0.8170 -0.0210 -0.0310 -0.0891 955 ARG A NE 7255 C CZ . ARG B 277 ? 1.0074 0.7466 0.8359 -0.0163 -0.0315 -0.0972 955 ARG A CZ 7256 N NH1 . ARG B 277 ? 1.0118 0.7506 0.8231 -0.0099 -0.0344 -0.1029 955 ARG A NH1 7257 N NH2 . ARG B 277 ? 1.0459 0.7648 0.8724 -0.0177 -0.0288 -0.0994 955 ARG A NH2 7258 N N . ARG B 278 ? 0.8344 0.6851 0.6897 0.0051 -0.0212 -0.0606 956 ARG A N 7259 C CA . ARG B 278 ? 0.8365 0.7043 0.6944 0.0063 -0.0253 -0.0579 956 ARG A CA 7260 C C . ARG B 278 ? 0.8396 0.7128 0.6919 0.0151 -0.0176 -0.0518 956 ARG A C 7261 O O . ARG B 278 ? 0.9125 0.7755 0.7537 0.0212 -0.0110 -0.0520 956 ARG A O 7262 C CB . ARG B 278 ? 0.8721 0.7380 0.7172 0.0060 -0.0350 -0.0657 956 ARG A CB 7263 C CG . ARG B 278 ? 0.9678 0.8317 0.8203 -0.0037 -0.0444 -0.0720 956 ARG A CG 7264 C CD . ARG B 278 ? 1.0352 0.8961 0.8728 -0.0031 -0.0544 -0.0804 956 ARG A CD 7265 N NE . ARG B 278 ? 1.0506 0.9269 0.8859 0.0014 -0.0577 -0.0774 956 ARG A NE 7266 C CZ . ARG B 278 ? 1.0577 0.9503 0.9061 -0.0033 -0.0655 -0.0765 956 ARG A CZ 7267 N NH1 . ARG B 278 ? 1.0562 0.9528 0.9218 -0.0133 -0.0704 -0.0784 956 ARG A NH1 7268 N NH2 . ARG B 278 ? 1.0297 0.9348 0.8744 0.0021 -0.0682 -0.0736 956 ARG A NH2 7269 N N . LYS B 279 ? 0.7812 0.6706 0.6416 0.0158 -0.0186 -0.0464 957 LYS A N 7270 C CA . LYS B 279 ? 0.8186 0.7133 0.6726 0.0235 -0.0130 -0.0412 957 LYS A CA 7271 C C . LYS B 279 ? 0.7836 0.6941 0.6433 0.0235 -0.0181 -0.0381 957 LYS A C 7272 O O . LYS B 279 ? 0.7673 0.6883 0.6422 0.0178 -0.0226 -0.0369 957 LYS A O 7273 C CB . LYS B 279 ? 0.9120 0.8078 0.7742 0.0260 -0.0032 -0.0345 957 LYS A CB 7274 C CG . LYS B 279 ? 1.0503 0.9490 0.9045 0.0337 0.0029 -0.0300 957 LYS A CG 7275 C CD . LYS B 279 ? 1.1601 1.0463 0.9950 0.0394 0.0056 -0.0343 957 LYS A CD 7276 C CE . LYS B 279 ? 1.1531 1.0432 0.9800 0.0463 0.0112 -0.0296 957 LYS A CE 7277 N NZ . LYS B 279 ? 1.1330 1.0300 0.9721 0.0475 0.0186 -0.0224 957 LYS A NZ 7278 N N . GLU B 280 ? 0.7857 0.6977 0.6330 0.0303 -0.0170 -0.0364 958 GLU A N 7279 C CA . GLU B 280 ? 0.7702 0.6947 0.6187 0.0320 -0.0221 -0.0339 958 GLU A CA 7280 C C . GLU B 280 ? 0.7806 0.7107 0.6308 0.0373 -0.0146 -0.0260 958 GLU A C 7281 O O . GLU B 280 ? 0.8649 0.7876 0.7027 0.0428 -0.0083 -0.0246 958 GLU A O 7282 C CB . GLU B 280 ? 0.8071 0.7266 0.6368 0.0352 -0.0288 -0.0393 958 GLU A CB 7283 C CG . GLU B 280 ? 0.8633 0.7949 0.6932 0.0368 -0.0363 -0.0378 958 GLU A CG 7284 C CD . GLU B 280 ? 0.9315 0.8574 0.7424 0.0395 -0.0443 -0.0442 958 GLU A CD 7285 O OE1 . GLU B 280 ? 0.8990 0.8148 0.7032 0.0364 -0.0479 -0.0517 958 GLU A OE1 7286 O OE2 . GLU B 280 ? 0.9454 0.8760 0.7473 0.0448 -0.0470 -0.0418 958 GLU A OE2 7287 N N . PHE B 281 ? 0.7599 0.7026 0.6256 0.0356 -0.0148 -0.0209 959 PHE A N 7288 C CA . PHE B 281 ? 0.7371 0.6855 0.6047 0.0403 -0.0091 -0.0139 959 PHE A CA 7289 C C . PHE B 281 ? 0.7893 0.7442 0.6503 0.0442 -0.0146 -0.0127 959 PHE A C 7290 O O . PHE B 281 ? 0.8098 0.7757 0.6808 0.0419 -0.0211 -0.0126 959 PHE A O 7291 C CB . PHE B 281 ? 0.6374 0.5951 0.5240 0.0372 -0.0062 -0.0093 959 PHE A CB 7292 C CG . PHE B 281 ? 0.6380 0.5899 0.5316 0.0333 -0.0017 -0.0101 959 PHE A CG 7293 C CD1 . PHE B 281 ? 0.6619 0.6087 0.5547 0.0361 0.0067 -0.0068 959 PHE A CD1 7294 C CD2 . PHE B 281 ? 0.6201 0.5714 0.5212 0.0268 -0.0060 -0.0139 959 PHE A CD2 7295 C CE1 . PHE B 281 ? 0.6269 0.5681 0.5256 0.0334 0.0106 -0.0072 959 PHE A CE1 7296 C CE2 . PHE B 281 ? 0.6607 0.6052 0.5674 0.0236 -0.0016 -0.0141 959 PHE A CE2 7297 C CZ . PHE B 281 ? 0.6398 0.5791 0.5448 0.0273 0.0066 -0.0107 959 PHE A CZ 7298 N N . PRO B 282 ? 0.8154 0.7640 0.6600 0.0501 -0.0122 -0.0116 960 PRO A N 7299 C CA . PRO B 282 ? 0.8012 0.7545 0.6376 0.0543 -0.0179 -0.0103 960 PRO A CA 7300 C C . PRO B 282 ? 0.7714 0.7344 0.6179 0.0564 -0.0161 -0.0034 960 PRO A C 7301 O O . PRO B 282 ? 0.7055 0.6685 0.5593 0.0566 -0.0085 0.0010 960 PRO A O 7302 C CB . PRO B 282 ? 0.7890 0.7309 0.6041 0.0599 -0.0140 -0.0105 960 PRO A CB 7303 C CG . PRO B 282 ? 0.8193 0.7548 0.6364 0.0598 -0.0037 -0.0085 960 PRO A CG 7304 C CD . PRO B 282 ? 0.8174 0.7546 0.6499 0.0536 -0.0041 -0.0112 960 PRO A CD 7305 N N . TYR B 283 ? 0.8176 0.7888 0.6645 0.0583 -0.0236 -0.0030 961 TYR A N 7306 C CA . TYR B 283 ? 0.8275 0.8070 0.6817 0.0616 -0.0229 0.0031 961 TYR A CA 7307 C C . TYR B 283 ? 0.9052 0.8774 0.7424 0.0684 -0.0201 0.0071 961 TYR A C 7308 O O . TYR B 283 ? 0.9747 0.9446 0.7979 0.0719 -0.0258 0.0054 961 TYR A O 7309 C CB . TYR B 283 ? 0.8696 0.8623 0.7339 0.0607 -0.0323 0.0017 961 TYR A CB 7310 C CG . TYR B 283 ? 0.9271 0.9279 0.7972 0.0653 -0.0324 0.0075 961 TYR A CG 7311 C CD1 . TYR B 283 ? 0.9457 0.9461 0.8038 0.0718 -0.0368 0.0095 961 TYR A CD1 7312 C CD2 . TYR B 283 ? 0.9398 0.9479 0.8265 0.0637 -0.0282 0.0108 961 TYR A CD2 7313 C CE1 . TYR B 283 ? 0.9908 0.9972 0.8538 0.0766 -0.0369 0.0147 961 TYR A CE1 7314 C CE2 . TYR B 283 ? 0.9507 0.9651 0.8420 0.0684 -0.0283 0.0156 961 TYR A CE2 7315 C CZ . TYR B 283 ? 1.0015 1.0148 0.8812 0.0748 -0.0326 0.0175 961 TYR A CZ 7316 O OH . TYR B 283 ? 1.0373 1.0557 0.9212 0.0800 -0.0327 0.0221 961 TYR A OH 7317 N N . ARG B 284 ? 0.9177 0.8862 0.7559 0.0702 -0.0114 0.0124 962 ARG A N 7318 C CA . ARG B 284 ? 0.9827 0.9436 0.8060 0.0758 -0.0074 0.0170 962 ARG A CA 7319 C C . ARG B 284 ? 0.9585 0.9234 0.7902 0.0780 -0.0045 0.0233 962 ARG A C 7320 O O . ARG B 284 ? 0.9800 0.9478 0.8251 0.0752 0.0003 0.0248 962 ARG A O 7321 C CB . ARG B 284 ? 1.0982 1.0484 0.9122 0.0757 0.0013 0.0170 962 ARG A CB 7322 C CG . ARG B 284 ? 1.2638 1.2051 1.0566 0.0790 -0.0001 0.0143 962 ARG A CG 7323 C CD . ARG B 284 ? 1.3553 1.2901 1.1443 0.0764 0.0032 0.0091 962 ARG A CD 7324 N NE . ARG B 284 ? 1.4299 1.3624 1.2264 0.0749 0.0131 0.0118 962 ARG A NE 7325 C CZ . ARG B 284 ? 1.4573 1.3836 1.2511 0.0738 0.0181 0.0085 962 ARG A CZ 7326 N NH1 . ARG B 284 ? 1.4930 1.4136 1.2758 0.0738 0.0143 0.0021 962 ARG A NH1 7327 N NH2 . ARG B 284 ? 1.4719 1.3977 1.2739 0.0728 0.0266 0.0113 962 ARG A NH2 7328 N N . ILE B 285 ? 0.9099 0.8744 0.7329 0.0834 -0.0078 0.0266 963 ILE A N 7329 C CA . ILE B 285 ? 0.8313 0.7979 0.6604 0.0862 -0.0057 0.0324 963 ILE A CA 7330 C C . ILE B 285 ? 0.7913 0.7474 0.6131 0.0873 0.0038 0.0373 963 ILE A C 7331 O O . ILE B 285 ? 0.7644 0.7117 0.5696 0.0900 0.0060 0.0387 963 ILE A O 7332 C CB . ILE B 285 ? 0.8567 0.8262 0.6792 0.0920 -0.0133 0.0342 963 ILE A CB 7333 C CG1 . ILE B 285 ? 0.8712 0.8533 0.7037 0.0904 -0.0228 0.0294 963 ILE A CG1 7334 C CG2 . ILE B 285 ? 0.9047 0.8740 0.7317 0.0956 -0.0108 0.0402 963 ILE A CG2 7335 C CD1 . ILE B 285 ? 0.9110 0.8978 0.7380 0.0965 -0.0314 0.0306 963 ILE A CD1 7336 N N . PRO B 286 ? 0.8200 0.7772 0.6537 0.0853 0.0094 0.0399 964 PRO A N 7337 C CA . PRO B 286 ? 0.8812 0.8295 0.7100 0.0857 0.0181 0.0445 964 PRO A CA 7338 C C . PRO B 286 ? 1.0024 0.9441 0.8195 0.0909 0.0181 0.0501 964 PRO A C 7339 O O . PRO B 286 ? 1.0045 0.9488 0.8185 0.0949 0.0113 0.0507 964 PRO A O 7340 C CB . PRO B 286 ? 0.8666 0.8195 0.7124 0.0824 0.0218 0.0452 964 PRO A CB 7341 C CG . PRO B 286 ? 0.8440 0.8068 0.7004 0.0830 0.0148 0.0436 964 PRO A CG 7342 C CD . PRO B 286 ? 0.8158 0.7827 0.6679 0.0828 0.0080 0.0390 964 PRO A CD 7343 N N . LEU B 287 ? 1.1222 1.0552 0.9334 0.0908 0.0261 0.0544 965 LEU A N 7344 C CA . LEU B 287 ? 1.2484 1.1725 1.0464 0.0953 0.0275 0.0603 965 LEU A CA 7345 C C . LEU B 287 ? 1.2059 1.1310 1.0113 0.0976 0.0250 0.0637 965 LEU A C 7346 O O . LEU B 287 ? 1.2819 1.2075 1.0816 0.1025 0.0184 0.0648 965 LEU A O 7347 C CB . LEU B 287 ? 1.3202 1.2355 1.1119 0.0936 0.0374 0.0642 965 LEU A CB 7348 C CG . LEU B 287 ? 1.3416 1.2459 1.1186 0.0974 0.0405 0.0712 965 LEU A CG 7349 C CD1 . LEU B 287 ? 1.3900 1.2913 1.1490 0.1031 0.0345 0.0714 965 LEU A CD1 7350 C CD2 . LEU B 287 ? 1.3415 1.2390 1.1142 0.0948 0.0511 0.0747 965 LEU A CD2 7351 N N . ASP B 288 ? 1.0398 0.9650 0.8575 0.0944 0.0297 0.0650 966 ASP A N 7352 C CA . ASP B 288 ? 0.9595 0.8833 0.7829 0.0967 0.0284 0.0682 966 ASP A CA 7353 C C . ASP B 288 ? 0.8639 0.7992 0.7017 0.0968 0.0225 0.0643 966 ASP A C 7354 O O . ASP B 288 ? 0.8484 0.7849 0.6968 0.0960 0.0240 0.0648 966 ASP A O 7355 C CB . ASP B 288 ? 1.0594 0.9766 0.8878 0.0933 0.0362 0.0714 966 ASP A CB 7356 C CG . ASP B 288 ? 1.1788 1.0851 0.9940 0.0929 0.0429 0.0761 966 ASP A CG 7357 O OD1 . ASP B 288 ? 1.2529 1.1528 1.0529 0.0974 0.0411 0.0792 966 ASP A OD1 7358 O OD2 . ASP B 288 ? 1.2035 1.1082 1.0237 0.0883 0.0500 0.0768 966 ASP A OD2 7359 N N . LEU B 289 ? 0.7536 0.6975 0.5919 0.0978 0.0159 0.0603 967 LEU A N 7360 C CA . LEU B 289 ? 0.6414 0.5976 0.4945 0.0974 0.0111 0.0568 967 LEU A CA 7361 C C . LEU B 289 ? 0.7167 0.6737 0.5721 0.1030 0.0076 0.0595 967 LEU A C 7362 O O . LEU B 289 ? 0.7846 0.7364 0.6286 0.1085 0.0044 0.0626 967 LEU A O 7363 C CB . LEU B 289 ? 0.5864 0.5515 0.4396 0.0968 0.0045 0.0521 967 LEU A CB 7364 C CG . LEU B 289 ? 0.6007 0.5797 0.4702 0.0951 0.0001 0.0484 967 LEU A CG 7365 C CD1 . LEU B 289 ? 0.6500 0.6315 0.5309 0.0890 0.0054 0.0462 967 LEU A CD1 7366 C CD2 . LEU B 289 ? 0.6330 0.6203 0.5017 0.0952 -0.0077 0.0444 967 LEU A CD2 7367 N N . VAL B 290 ? 0.6783 0.6412 0.5474 0.1020 0.0083 0.0585 968 VAL A N 7368 C CA . VAL B 290 ? 0.6308 0.5952 0.5030 0.1079 0.0050 0.0603 968 VAL A CA 7369 C C . VAL B 290 ? 0.6751 0.6493 0.5470 0.1124 -0.0032 0.0588 968 VAL A C 7370 O O . VAL B 290 ? 0.7584 0.7439 0.6376 0.1093 -0.0065 0.0547 968 VAL A O 7371 C CB . VAL B 290 ? 0.6018 0.5724 0.4889 0.1061 0.0072 0.0586 968 VAL A CB 7372 C CG1 . VAL B 290 ? 0.5482 0.5196 0.4377 0.1130 0.0042 0.0602 968 VAL A CG1 7373 C CG2 . VAL B 290 ? 0.5321 0.4941 0.4201 0.1013 0.0145 0.0595 968 VAL A CG2 7374 N N . PRO B 291 ? 0.6767 0.6470 0.5406 0.1197 -0.0071 0.0621 969 PRO A N 7375 C CA . PRO B 291 ? 0.6869 0.6676 0.5508 0.1243 -0.0157 0.0606 969 PRO A CA 7376 C C . PRO B 291 ? 0.7105 0.7075 0.5921 0.1248 -0.0190 0.0574 969 PRO A C 7377 O O . PRO B 291 ? 0.6904 0.6885 0.5814 0.1248 -0.0153 0.0576 969 PRO A O 7378 C CB . PRO B 291 ? 0.7013 0.6719 0.5521 0.1327 -0.0180 0.0657 969 PRO A CB 7379 C CG . PRO B 291 ? 0.6885 0.6460 0.5379 0.1325 -0.0110 0.0693 969 PRO A CG 7380 C CD . PRO B 291 ? 0.6967 0.6518 0.5499 0.1238 -0.0040 0.0675 969 PRO A CD 7381 N N . LYS B 292 ? 0.7460 0.7561 0.6319 0.1252 -0.0261 0.0543 970 LYS A N 7382 C CA . LYS B 292 ? 0.7805 0.8086 0.6841 0.1253 -0.0297 0.0513 970 LYS A CA 7383 C C . LYS B 292 ? 0.7462 0.7787 0.6629 0.1183 -0.0236 0.0490 970 LYS A C 7384 O O . LYS B 292 ? 0.7058 0.7471 0.6351 0.1196 -0.0224 0.0486 970 LYS A O 7385 C CB . LYS B 292 ? 0.8416 0.8731 0.7482 0.1344 -0.0324 0.0539 970 LYS A CB 7386 C CG . LYS B 292 ? 0.8930 0.9203 0.7864 0.1424 -0.0390 0.0566 970 LYS A CG 7387 C CD . LYS B 292 ? 0.9592 0.9953 0.8596 0.1515 -0.0435 0.0579 970 LYS A CD 7388 C CE . LYS B 292 ? 0.9634 1.0226 0.8826 0.1502 -0.0483 0.0537 970 LYS A CE 7389 N NZ . LYS B 292 ? 0.9737 1.0432 0.9001 0.1600 -0.0529 0.0549 970 LYS A NZ 7390 N N . THR B 293 ? 0.7274 0.7533 0.6402 0.1113 -0.0195 0.0476 971 THR A N 7391 C CA . THR B 293 ? 0.6855 0.7155 0.6096 0.1043 -0.0145 0.0453 971 THR A CA 7392 C C . THR B 293 ? 0.7131 0.7468 0.6378 0.0978 -0.0165 0.0415 971 THR A C 7393 O O . THR B 293 ? 0.7680 0.7940 0.6800 0.0975 -0.0181 0.0412 971 THR A O 7394 C CB . THR B 293 ? 0.6215 0.6384 0.5411 0.1021 -0.0066 0.0473 971 THR A CB 7395 O OG1 . THR B 293 ? 0.6445 0.6494 0.5505 0.1003 -0.0047 0.0482 971 THR A OG1 7396 C CG2 . THR B 293 ? 0.5850 0.5961 0.5029 0.1082 -0.0049 0.0506 971 THR A CG2 7397 N N . GLU B 294 ? 0.6980 0.7427 0.6368 0.0928 -0.0163 0.0387 972 GLU A N 7398 C CA . GLU B 294 ? 0.7327 0.7807 0.6736 0.0863 -0.0183 0.0348 972 GLU A CA 7399 C C . GLU B 294 ? 0.7519 0.7887 0.6878 0.0811 -0.0117 0.0344 972 GLU A C 7400 O O . GLU B 294 ? 0.7761 0.8090 0.7152 0.0805 -0.0055 0.0363 972 GLU A O 7401 C CB . GLU B 294 ? 0.8161 0.8802 0.7747 0.0826 -0.0204 0.0326 972 GLU A CB 7402 C CG . GLU B 294 ? 0.9248 1.0029 0.8908 0.0874 -0.0272 0.0326 972 GLU A CG 7403 C CD . GLU B 294 ? 1.0763 1.1602 1.0406 0.0858 -0.0356 0.0291 972 GLU A CD 7404 O OE1 . GLU B 294 ? 1.1261 1.1996 1.0783 0.0831 -0.0364 0.0273 972 GLU A OE1 7405 O OE2 . GLU B 294 ? 1.1372 1.2364 1.1124 0.0874 -0.0415 0.0281 972 GLU A OE2 7406 N N . ILE B 295 ? 0.7488 0.7805 0.6768 0.0778 -0.0134 0.0317 973 ILE A N 7407 C CA . ILE B 295 ? 0.6846 0.7072 0.6093 0.0730 -0.0076 0.0306 973 ILE A CA 7408 C C . ILE B 295 ? 0.6957 0.7262 0.6344 0.0669 -0.0069 0.0281 973 ILE A C 7409 O O . ILE B 295 ? 0.7289 0.7660 0.6722 0.0636 -0.0120 0.0247 973 ILE A O 7410 C CB . ILE B 295 ? 0.6620 0.6757 0.5720 0.0725 -0.0093 0.0285 973 ILE A CB 7411 C CG1 . ILE B 295 ? 0.6869 0.6917 0.5820 0.0785 -0.0088 0.0319 973 ILE A CG1 7412 C CG2 . ILE B 295 ? 0.6860 0.6920 0.5945 0.0678 -0.0035 0.0269 973 ILE A CG2 7413 C CD1 . ILE B 295 ? 0.6871 0.6833 0.5661 0.0789 -0.0102 0.0301 973 ILE A CD1 7414 N N . LYS B 296 ? 0.7038 0.7335 0.6494 0.0653 -0.0007 0.0298 974 LYS A N 7415 C CA . LYS B 296 ? 0.7225 0.7587 0.6805 0.0598 0.0006 0.0282 974 LYS A CA 7416 C C . LYS B 296 ? 0.6932 0.7205 0.6467 0.0551 0.0033 0.0259 974 LYS A C 7417 O O . LYS B 296 ? 0.7625 0.7792 0.7057 0.0565 0.0069 0.0266 974 LYS A O 7418 C CB . LYS B 296 ? 0.7941 0.8339 0.7608 0.0609 0.0056 0.0311 974 LYS A CB 7419 C CG . LYS B 296 ? 0.8817 0.9327 0.8628 0.0571 0.0057 0.0306 974 LYS A CG 7420 C CD . LYS B 296 ? 0.9509 1.0037 0.9380 0.0585 0.0112 0.0332 974 LYS A CD 7421 C CE . LYS B 296 ? 0.9919 1.0341 0.9744 0.0564 0.0167 0.0337 974 LYS A CE 7422 N NZ . LYS B 296 ? 1.0052 1.0492 0.9927 0.0579 0.0213 0.0359 974 LYS A NZ 7423 N N . ARG B 297 ? 0.6582 0.6897 0.6194 0.0496 0.0017 0.0233 975 ARG A N 7424 C CA . ARG B 297 ? 0.6874 0.7099 0.6455 0.0454 0.0048 0.0212 975 ARG A CA 7425 C C . ARG B 297 ? 0.6784 0.7066 0.6489 0.0394 0.0046 0.0200 975 ARG A C 7426 O O . ARG B 297 ? 0.7404 0.7777 0.7183 0.0367 -0.0006 0.0183 975 ARG A O 7427 C CB . ARG B 297 ? 0.6564 0.6703 0.6016 0.0454 0.0017 0.0177 975 ARG A CB 7428 C CG . ARG B 297 ? 0.6707 0.6908 0.6144 0.0457 -0.0065 0.0151 975 ARG A CG 7429 C CD . ARG B 297 ? 0.6477 0.6576 0.5758 0.0465 -0.0090 0.0116 975 ARG A CD 7430 N NE . ARG B 297 ? 0.6970 0.7126 0.6235 0.0462 -0.0179 0.0082 975 ARG A NE 7431 C CZ . ARG B 297 ? 0.7196 0.7284 0.6346 0.0455 -0.0222 0.0036 975 ARG A CZ 7432 N NH1 . ARG B 297 ? 0.6541 0.6499 0.5579 0.0453 -0.0178 0.0019 975 ARG A NH1 7433 N NH2 . ARG B 297 ? 0.7753 0.7906 0.6897 0.0452 -0.0310 0.0004 975 ARG A NH2 7434 N N . ILE B 298 ? 0.5820 0.6052 0.5550 0.0372 0.0102 0.0211 976 ILE A N 7435 C CA . ILE B 298 ? 0.6052 0.6317 0.5888 0.0316 0.0114 0.0210 976 ILE A CA 7436 C C . ILE B 298 ? 0.5685 0.5837 0.5467 0.0277 0.0116 0.0177 976 ILE A C 7437 O O . ILE B 298 ? 0.5579 0.5626 0.5258 0.0301 0.0144 0.0171 976 ILE A O 7438 C CB . ILE B 298 ? 0.6456 0.6743 0.6355 0.0327 0.0174 0.0250 976 ILE A CB 7439 C CG1 . ILE B 298 ? 0.7376 0.7708 0.7263 0.0387 0.0183 0.0277 976 ILE A CG1 7440 C CG2 . ILE B 298 ? 0.6317 0.6692 0.6345 0.0280 0.0177 0.0261 976 ILE A CG2 7441 C CD1 . ILE B 298 ? 0.7997 0.8337 0.7921 0.0405 0.0237 0.0311 976 ILE A CD1 7442 N N . LEU B 299 ? 0.5707 0.5882 0.5562 0.0216 0.0090 0.0156 977 LEU A N 7443 C CA . LEU B 299 ? 0.5664 0.5726 0.5476 0.0173 0.0086 0.0121 977 LEU A CA 7444 C C . LEU B 299 ? 0.5554 0.5597 0.5450 0.0131 0.0132 0.0144 977 LEU A C 7445 O O . LEU B 299 ? 0.5495 0.5636 0.5513 0.0093 0.0129 0.0164 977 LEU A O 7446 C CB . LEU B 299 ? 0.5795 0.5878 0.5614 0.0129 0.0011 0.0072 977 LEU A CB 7447 C CG . LEU B 299 ? 0.6000 0.5967 0.5795 0.0072 0.0001 0.0031 977 LEU A CG 7448 C CD1 . LEU B 299 ? 0.6117 0.5936 0.5752 0.0112 0.0019 0.0003 977 LEU A CD1 7449 C CD2 . LEU B 299 ? 0.6214 0.6230 0.6060 0.0013 -0.0078 -0.0015 977 LEU A CD2 7450 N N . SER B 300 ? 0.5483 0.5402 0.5314 0.0140 0.0174 0.0143 978 SER A N 7451 C CA . SER B 300 ? 0.6108 0.5985 0.5995 0.0109 0.0218 0.0169 978 SER A CA 7452 C C . SER B 300 ? 0.6386 0.6119 0.6213 0.0079 0.0214 0.0130 978 SER A C 7453 O O . SER B 300 ? 0.6614 0.6247 0.6332 0.0118 0.0226 0.0109 978 SER A O 7454 C CB . SER B 300 ? 0.6226 0.6094 0.6099 0.0161 0.0279 0.0212 978 SER A CB 7455 O OG . SER B 300 ? 0.6623 0.6433 0.6528 0.0139 0.0319 0.0235 978 SER A OG 7456 N N . VAL B 301 ? 0.6554 0.6270 0.6451 0.0010 0.0199 0.0123 979 VAL A N 7457 C CA . VAL B 301 ? 0.6715 0.6282 0.6560 -0.0025 0.0191 0.0084 979 VAL A CA 7458 C C . VAL B 301 ? 0.6707 0.6223 0.6615 -0.0056 0.0239 0.0125 979 VAL A C 7459 O O . VAL B 301 ? 0.6950 0.6531 0.6968 -0.0116 0.0236 0.0148 979 VAL A O 7460 C CB . VAL B 301 ? 0.6566 0.6135 0.6428 -0.0088 0.0119 0.0030 979 VAL A CB 7461 C CG1 . VAL B 301 ? 0.7011 0.6404 0.6805 -0.0120 0.0111 -0.0015 979 VAL A CG1 7462 C CG2 . VAL B 301 ? 0.6638 0.6263 0.6429 -0.0050 0.0069 -0.0005 979 VAL A CG2 7463 N N . LYS B 302 ? 0.6572 0.5974 0.6409 -0.0014 0.0285 0.0137 980 LYS A N 7464 C CA . LYS B 302 ? 0.6375 0.5716 0.6249 -0.0028 0.0333 0.0181 980 LYS A CA 7465 C C . LYS B 302 ? 0.6477 0.5635 0.6288 -0.0049 0.0332 0.0147 980 LYS A C 7466 O O . LYS B 302 ? 0.6386 0.5459 0.6105 -0.0034 0.0304 0.0089 980 LYS A O 7467 C CB . LYS B 302 ? 0.6484 0.5848 0.6338 0.0043 0.0386 0.0228 980 LYS A CB 7468 C CG . LYS B 302 ? 0.6644 0.6172 0.6560 0.0065 0.0392 0.0264 980 LYS A CG 7469 C CD . LYS B 302 ? 0.6759 0.6378 0.6788 0.0008 0.0395 0.0298 980 LYS A CD 7470 C CE . LYS B 302 ? 0.7149 0.6930 0.7233 0.0035 0.0397 0.0325 980 LYS A CE 7471 N NZ . LYS B 302 ? 0.8076 0.7930 0.8155 0.0038 0.0345 0.0285 980 LYS A NZ 7472 N N . GLY B 303 ? 0.7173 0.6262 0.7024 -0.0078 0.0365 0.0185 981 GLY A N 7473 C CA . GLY B 303 ? 0.7716 0.6628 0.7529 -0.0116 0.0361 0.0159 981 GLY A CA 7474 C C . GLY B 303 ? 0.8797 0.7554 0.8496 -0.0049 0.0386 0.0141 981 GLY A C 7475 O O . GLY B 303 ? 1.1034 0.9648 1.0664 -0.0064 0.0363 0.0086 981 GLY A O 7476 N N . LEU B 304 ? 0.7839 0.6622 0.7518 0.0024 0.0432 0.0182 982 LEU A N 7477 C CA . LEU B 304 ? 0.7655 0.6304 0.7244 0.0092 0.0462 0.0173 982 LEU A CA 7478 C C . LEU B 304 ? 0.7731 0.6460 0.7277 0.0173 0.0477 0.0168 982 LEU A C 7479 O O . LEU B 304 ? 0.8225 0.7096 0.7801 0.0175 0.0464 0.0173 982 LEU A O 7480 C CB . LEU B 304 ? 0.7868 0.6449 0.7480 0.0103 0.0505 0.0234 982 LEU A CB 7481 C CG . LEU B 304 ? 0.7492 0.5998 0.7158 0.0018 0.0501 0.0255 982 LEU A CG 7482 C CD1 . LEU B 304 ? 0.7572 0.6048 0.7259 0.0038 0.0549 0.0331 982 LEU A CD1 7483 C CD2 . LEU B 304 ? 0.7149 0.5466 0.6749 -0.0011 0.0478 0.0197 982 LEU A CD2 7484 N N . LEU B 305 ? 0.6733 0.5368 0.6208 0.0240 0.0506 0.0159 983 LEU A N 7485 C CA . LEU B 305 ? 0.6583 0.5297 0.6035 0.0316 0.0531 0.0166 983 LEU A CA 7486 C C . LEU B 305 ? 0.6601 0.5442 0.6129 0.0332 0.0552 0.0230 983 LEU A C 7487 O O . LEU B 305 ? 0.6713 0.5670 0.6254 0.0361 0.0556 0.0238 983 LEU A O 7488 C CB . LEU B 305 ? 0.6232 0.4831 0.5614 0.0385 0.0562 0.0149 983 LEU A CB 7489 C CG . LEU B 305 ? 0.6520 0.4990 0.5804 0.0392 0.0548 0.0079 983 LEU A CG 7490 C CD1 . LEU B 305 ? 0.6683 0.5045 0.5915 0.0467 0.0587 0.0074 983 LEU A CD1 7491 C CD2 . LEU B 305 ? 0.6839 0.5395 0.6082 0.0404 0.0534 0.0045 983 LEU A CD2 7492 N N . VAL B 306 ? 0.6736 0.5548 0.6308 0.0312 0.0566 0.0276 984 VAL A N 7493 C CA . VAL B 306 ? 0.6295 0.5217 0.5927 0.0325 0.0584 0.0335 984 VAL A CA 7494 C C . VAL B 306 ? 0.6112 0.5143 0.5815 0.0261 0.0565 0.0353 984 VAL A C 7495 O O . VAL B 306 ? 0.6312 0.5433 0.6061 0.0268 0.0581 0.0401 984 VAL A O 7496 C CB . VAL B 306 ? 0.6273 0.5109 0.5901 0.0350 0.0613 0.0380 984 VAL A CB 7497 C CG1 . VAL B 306 ? 0.6626 0.5386 0.6280 0.0280 0.0612 0.0404 984 VAL A CG1 7498 C CG2 . VAL B 306 ? 0.7326 0.6268 0.6985 0.0399 0.0632 0.0430 984 VAL A CG2 7499 N N . GLY B 307 ? 0.5632 0.4662 0.5344 0.0202 0.0532 0.0315 985 GLY A N 7500 C CA . GLY B 307 ? 0.5941 0.5078 0.5735 0.0141 0.0516 0.0335 985 GLY A CA 7501 C C . GLY B 307 ? 0.6279 0.5579 0.6111 0.0167 0.0515 0.0353 985 GLY A C 7502 O O . GLY B 307 ? 0.6769 0.6164 0.6670 0.0142 0.0522 0.0390 985 GLY A O 7503 N N . GLU B 308 ? 0.6271 0.5601 0.6056 0.0217 0.0508 0.0328 986 GLU A N 7504 C CA . GLU B 308 ? 0.6350 0.5816 0.6164 0.0242 0.0505 0.0343 986 GLU A CA 7505 C C . GLU B 308 ? 0.6892 0.6406 0.6734 0.0276 0.0538 0.0394 986 GLU A C 7506 O O . GLU B 308 ? 0.7026 0.6646 0.6918 0.0271 0.0539 0.0420 986 GLU A O 7507 C CB . GLU B 308 ? 0.6106 0.5576 0.5859 0.0284 0.0496 0.0309 986 GLU A CB 7508 C CG . GLU B 308 ? 0.6591 0.6178 0.6366 0.0287 0.0473 0.0306 986 GLU A CG 7509 C CD . GLU B 308 ? 0.7209 0.6824 0.7001 0.0237 0.0430 0.0278 986 GLU A CD 7510 O OE1 . GLU B 308 ? 0.7093 0.6634 0.6829 0.0224 0.0407 0.0234 986 GLU A OE1 7511 O OE2 . GLU B 308 ? 0.7740 0.7456 0.7604 0.0213 0.0417 0.0296 986 GLU A OE2 7512 N N . ILE B 309 ? 0.6912 0.6349 0.6719 0.0315 0.0564 0.0408 987 ILE A N 7513 C CA . ILE B 309 ? 0.6742 0.6219 0.6566 0.0350 0.0589 0.0455 987 ILE A CA 7514 C C . ILE B 309 ? 0.6633 0.6112 0.6497 0.0310 0.0603 0.0497 987 ILE A C 7515 O O . ILE B 309 ? 0.6622 0.6186 0.6514 0.0321 0.0616 0.0532 987 ILE A O 7516 C CB . ILE B 309 ? 0.6988 0.6387 0.6769 0.0405 0.0607 0.0459 987 ILE A CB 7517 C CG1 . ILE B 309 ? 0.8335 0.7696 0.8075 0.0427 0.0600 0.0412 987 ILE A CG1 7518 C CG2 . ILE B 309 ? 0.6455 0.5929 0.6248 0.0454 0.0618 0.0489 987 ILE A CG2 7519 C CD1 . ILE B 309 ? 0.9155 0.8409 0.8855 0.0467 0.0618 0.0407 987 ILE A CD1 7520 N N . LEU B 310 ? 0.6781 0.6162 0.6643 0.0265 0.0604 0.0494 988 LEU A N 7521 C CA . LEU B 310 ? 0.6519 0.5900 0.6427 0.0215 0.0621 0.0536 988 LEU A CA 7522 C C . LEU B 310 ? 0.6822 0.6349 0.6800 0.0182 0.0613 0.0543 988 LEU A C 7523 O O . LEU B 310 ? 0.6888 0.6481 0.6898 0.0182 0.0639 0.0589 988 LEU A O 7524 C CB . LEU B 310 ? 0.6754 0.6009 0.6659 0.0156 0.0614 0.0519 988 LEU A CB 7525 C CG . LEU B 310 ? 0.7224 0.6315 0.7063 0.0186 0.0628 0.0520 988 LEU A CG 7526 C CD1 . LEU B 310 ? 0.7367 0.6329 0.7205 0.0119 0.0617 0.0498 988 LEU A CD1 7527 C CD2 . LEU B 310 ? 0.6835 0.5905 0.6659 0.0224 0.0665 0.0585 988 LEU A CD2 7528 N N . SER B 311 ? 0.7033 0.6612 0.7030 0.0160 0.0578 0.0498 989 SER A N 7529 C CA . SER B 311 ? 0.6810 0.6532 0.6877 0.0138 0.0567 0.0502 989 SER A CA 7530 C C . SER B 311 ? 0.6675 0.6493 0.6735 0.0198 0.0580 0.0522 989 SER A C 7531 O O . SER B 311 ? 0.6722 0.6645 0.6833 0.0193 0.0593 0.0549 989 SER A O 7532 C CB . SER B 311 ? 0.6584 0.6334 0.6661 0.0111 0.0520 0.0448 989 SER A CB 7533 O OG . SER B 311 ? 0.6866 0.6754 0.7022 0.0086 0.0506 0.0454 989 SER A OG 7534 N N . ALA B 312 ? 0.6567 0.6351 0.6565 0.0255 0.0578 0.0508 990 ALA A N 7535 C CA . ALA B 312 ? 0.5995 0.5858 0.5985 0.0308 0.0584 0.0521 990 ALA A CA 7536 C C . ALA B 312 ? 0.6328 0.6209 0.6322 0.0325 0.0618 0.0571 990 ALA A C 7537 O O . ALA B 312 ? 0.6629 0.6605 0.6642 0.0344 0.0625 0.0586 990 ALA A O 7538 C CB . ALA B 312 ? 0.6186 0.6005 0.6120 0.0357 0.0577 0.0498 990 ALA A CB 7539 N N . VAL B 313 ? 0.6325 0.6113 0.6293 0.0323 0.0639 0.0596 991 VAL A N 7540 C CA . VAL B 313 ? 0.6260 0.6054 0.6212 0.0346 0.0670 0.0647 991 VAL A CA 7541 C C . VAL B 313 ? 0.6520 0.6355 0.6523 0.0296 0.0696 0.0683 991 VAL A C 7542 O O . VAL B 313 ? 0.6249 0.6164 0.6260 0.0313 0.0719 0.0715 991 VAL A O 7543 C CB . VAL B 313 ? 0.6013 0.5687 0.5910 0.0375 0.0681 0.0664 991 VAL A CB 7544 C CG1 . VAL B 313 ? 0.6186 0.5851 0.6059 0.0392 0.0714 0.0723 991 VAL A CG1 7545 C CG2 . VAL B 313 ? 0.5567 0.5237 0.5429 0.0433 0.0662 0.0635 991 VAL A CG2 7546 N N . LEU B 314 ? 0.6689 0.6471 0.6728 0.0232 0.0694 0.0678 992 LEU A N 7547 C CA . LEU B 314 ? 0.6783 0.6592 0.6879 0.0174 0.0724 0.0718 992 LEU A CA 7548 C C . LEU B 314 ? 0.8182 0.8146 0.8360 0.0151 0.0720 0.0711 992 LEU A C 7549 O O . LEU B 314 ? 0.8770 0.8801 0.8997 0.0124 0.0756 0.0754 992 LEU A O 7550 C CB . LEU B 314 ? 0.6152 0.5847 0.6266 0.0108 0.0719 0.0711 992 LEU A CB 7551 C CG . LEU B 314 ? 0.6073 0.5604 0.6107 0.0135 0.0727 0.0720 992 LEU A CG 7552 C CD1 . LEU B 314 ? 0.6366 0.5772 0.6415 0.0067 0.0723 0.0711 992 LEU A CD1 7553 C CD2 . LEU B 314 ? 0.5953 0.5463 0.5939 0.0180 0.0768 0.0783 992 LEU A CD2 7554 N N . SER B 315 ? 0.9592 0.9615 0.9784 0.0163 0.0680 0.0662 993 SER A N 7555 C CA . SER B 315 ? 1.1108 1.1280 1.1369 0.0158 0.0671 0.0654 993 SER A CA 7556 C C . SER B 315 ? 1.2760 1.2994 1.2979 0.0233 0.0679 0.0659 993 SER A C 7557 O O . SER B 315 ? 1.2701 1.2911 1.2869 0.0276 0.0651 0.0626 993 SER A O 7558 C CB . SER B 315 ? 1.1202 1.1396 1.1494 0.0133 0.0619 0.0599 993 SER A CB 7559 O OG . SER B 315 ? 1.1709 1.1833 1.2032 0.0063 0.0606 0.0587 993 SER A OG 7560 N N . GLN B 316 ? 1.4348 1.4659 1.4585 0.0247 0.0719 0.0700 994 GLN A N 7561 C CA . GLN B 316 ? 1.5782 1.6130 1.5962 0.0319 0.0731 0.0708 994 GLN A CA 7562 C C . GLN B 316 ? 1.6930 1.7393 1.7143 0.0349 0.0712 0.0681 994 GLN A C 7563 O O . GLN B 316 ? 1.6998 1.7522 1.7189 0.0397 0.0733 0.0695 994 GLN A O 7564 C CB . GLN B 316 ? 1.5906 1.6266 1.6068 0.0327 0.0785 0.0765 994 GLN A CB 7565 C CG . GLN B 316 ? 1.5811 1.6155 1.5881 0.0402 0.0794 0.0776 994 GLN A CG 7566 C CD . GLN B 316 ? 1.5685 1.5906 1.5680 0.0425 0.0774 0.0768 994 GLN A CD 7567 O OE1 . GLN B 316 ? 1.5823 1.5956 1.5825 0.0387 0.0768 0.0769 994 GLN A OE1 7568 N NE2 . GLN B 316 ? 1.5348 1.5564 1.5275 0.0488 0.0761 0.0759 994 GLN A NE2 7569 N N . GLU B 317 ? 1.8066 1.8553 1.8319 0.0329 0.0672 0.0642 995 GLU A N 7570 C CA . GLU B 317 ? 1.8683 1.9264 1.8955 0.0367 0.0651 0.0618 995 GLU A CA 7571 C C . GLU B 317 ? 1.9219 1.9752 1.9408 0.0429 0.0633 0.0596 995 GLU A C 7572 O O . GLU B 317 ? 1.9367 1.9959 1.9556 0.0470 0.0620 0.0580 995 GLU A O 7573 C CB . GLU B 317 ? 1.8846 1.9464 1.9178 0.0331 0.0609 0.0585 995 GLU A CB 7574 C CG . GLU B 317 ? 1.9054 1.9804 1.9443 0.0357 0.0597 0.0576 995 GLU A CG 7575 C CD . GLU B 317 ? 1.9282 2.0134 1.9717 0.0373 0.0646 0.0613 995 GLU A CD 7576 O OE1 . GLU B 317 ? 1.9285 2.0164 1.9678 0.0437 0.0659 0.0614 995 GLU A OE1 7577 O OE2 . GLU B 317 ? 1.9426 2.0328 1.9937 0.0320 0.0674 0.0641 995 GLU A OE2 7578 N N . GLY B 318 ? 1.8695 1.9123 1.8820 0.0437 0.0631 0.0595 996 GLY A N 7579 C CA . GLY B 318 ? 1.8050 1.8437 1.8108 0.0489 0.0617 0.0578 996 GLY A CA 7580 C C . GLY B 318 ? 1.7323 1.7623 1.7331 0.0496 0.0630 0.0594 996 GLY A C 7581 O O . GLY B 318 ? 1.7392 1.7696 1.7385 0.0503 0.0660 0.0629 996 GLY A O 7582 N N . ILE B 319 ? 1.6350 1.6575 1.6329 0.0497 0.0610 0.0573 997 ILE A N 7583 C CA . ILE B 319 ? 1.4863 1.5077 1.4844 0.0494 0.0579 0.0536 997 ILE A CA 7584 C C . ILE B 319 ? 1.3756 1.3899 1.3694 0.0516 0.0571 0.0523 997 ILE A C 7585 O O . ILE B 319 ? 1.3851 1.3939 1.3771 0.0517 0.0584 0.0538 997 ILE A O 7586 C CB . ILE B 319 ? 1.4805 1.5009 1.4821 0.0444 0.0568 0.0524 997 ILE A CB 7587 C CG1 . ILE B 319 ? 1.4775 1.4964 1.4773 0.0448 0.0537 0.0488 997 ILE A CG1 7588 C CG2 . ILE B 319 ? 1.4762 1.4883 1.4769 0.0413 0.0581 0.0535 997 ILE A CG2 7589 C CD1 . ILE B 319 ? 1.4542 1.4797 1.4543 0.0480 0.0522 0.0479 997 ILE A CD1 7590 N N . ASN B 320 ? 1.2469 1.2614 1.2393 0.0535 0.0552 0.0498 998 ASN A N 7591 C CA . ASN B 320 ? 1.1361 1.1454 1.1260 0.0551 0.0547 0.0485 998 ASN A CA 7592 C C . ASN B 320 ? 1.0670 1.0722 1.0563 0.0529 0.0539 0.0463 998 ASN A C 7593 O O . ASN B 320 ? 1.0823 1.0897 1.0718 0.0519 0.0525 0.0449 998 ASN A O 7594 C CB . ASN B 320 ? 1.0772 1.0889 1.0661 0.0583 0.0534 0.0473 998 ASN A CB 7595 C CG . ASN B 320 ? 1.0220 1.0299 1.0101 0.0595 0.0531 0.0462 998 ASN A CG 7596 O OD1 . ASN B 320 ? 1.0302 1.0342 1.0183 0.0589 0.0541 0.0464 998 ASN A OD1 7597 N ND2 . ASN B 320 ? 0.9605 0.9699 0.9485 0.0613 0.0518 0.0449 998 ASN A ND2 7598 N N . ILE B 321 ? 0.9663 0.9655 0.9543 0.0528 0.0549 0.0460 999 ILE A N 7599 C CA . ILE B 321 ? 0.8880 0.8826 0.8740 0.0515 0.0546 0.0437 999 ILE A CA 7600 C C . ILE B 321 ? 0.8957 0.8906 0.8802 0.0533 0.0543 0.0422 999 ILE A C 7601 O O . ILE B 321 ? 0.9736 0.9651 0.9552 0.0526 0.0544 0.0405 999 ILE A O 7602 C CB . ILE B 321 ? 0.7670 0.7544 0.7516 0.0514 0.0561 0.0438 999 ILE A CB 7603 C CG1 . ILE B 321 ? 0.6946 0.6817 0.6797 0.0550 0.0572 0.0447 999 ILE A CG1 7604 C CG2 . ILE B 321 ? 0.7073 0.6929 0.6932 0.0489 0.0567 0.0457 999 ILE A CG2 7605 C CD1 . ILE B 321 ? 0.6801 0.6606 0.6642 0.0560 0.0587 0.0454 999 ILE A CD1 7606 N N . LEU B 322 ? 0.8422 0.8407 0.8281 0.0555 0.0541 0.0429 1000 LEU A N 7607 C CA . LEU B 322 ? 0.8212 0.8199 0.8066 0.0566 0.0540 0.0419 1000 LEU A CA 7608 C C . LEU B 322 ? 0.8280 0.8307 0.8140 0.0576 0.0524 0.0421 1000 LEU A C 7609 O O . LEU B 322 ? 0.8451 0.8489 0.8323 0.0590 0.0520 0.0420 1000 LEU A O 7610 C CB . LEU B 322 ? 0.8007 0.7987 0.7880 0.0583 0.0552 0.0420 1000 LEU A CB 7611 C CG . LEU B 322 ? 0.7783 0.7720 0.7649 0.0585 0.0572 0.0417 1000 LEU A CG 7612 C CD1 . LEU B 322 ? 0.7072 0.7021 0.6971 0.0611 0.0580 0.0422 1000 LEU A CD1 7613 C CD2 . LEU B 322 ? 0.7870 0.7775 0.7704 0.0575 0.0584 0.0401 1000 LEU A CD2 7614 N N . THR B 323 ? 0.8747 0.8795 0.8600 0.0570 0.0512 0.0422 1001 THR A N 7615 C CA . THR B 323 ? 0.8746 0.8828 0.8601 0.0587 0.0498 0.0422 1001 THR A CA 7616 C C . THR B 323 ? 0.8194 0.8250 0.8032 0.0594 0.0493 0.0414 1001 THR A C 7617 O O . THR B 323 ? 0.8359 0.8422 0.8198 0.0611 0.0483 0.0411 1001 THR A O 7618 C CB . THR B 323 ? 0.9160 0.9280 0.9020 0.0582 0.0488 0.0424 1001 THR A CB 7619 O OG1 . THR B 323 ? 1.0407 1.0506 1.0250 0.0563 0.0481 0.0416 1001 THR A OG1 7620 C CG2 . THR B 323 ? 0.8672 0.8827 0.8559 0.0573 0.0498 0.0438 1001 THR A CG2 7621 N N . HIS B 324 ? 0.7673 0.7693 0.7490 0.0582 0.0501 0.0410 1002 HIS A N 7622 C CA . HIS B 324 ? 0.7646 0.7635 0.7444 0.0584 0.0502 0.0410 1002 HIS A CA 7623 C C . HIS B 324 ? 0.7411 0.7396 0.7240 0.0585 0.0511 0.0408 1002 HIS A C 7624 O O . HIS B 324 ? 0.8087 0.8049 0.7913 0.0582 0.0511 0.0409 1002 HIS A O 7625 C CB . HIS B 324 ? 0.7572 0.7525 0.7331 0.0573 0.0514 0.0410 1002 HIS A CB 7626 C CG . HIS B 324 ? 0.7477 0.7418 0.7242 0.0563 0.0536 0.0405 1002 HIS A CG 7627 N ND1 . HIS B 324 ? 0.7544 0.7491 0.7317 0.0558 0.0535 0.0400 1002 HIS A ND1 7628 C CD2 . HIS B 324 ? 0.7101 0.7019 0.6864 0.0561 0.0563 0.0406 1002 HIS A CD2 7629 C CE1 . HIS B 324 ? 0.7230 0.7152 0.7001 0.0556 0.0557 0.0396 1002 HIS A CE1 7630 N NE2 . HIS B 324 ? 0.7058 0.6969 0.6826 0.0560 0.0576 0.0398 1002 HIS A NE2 7631 N N . LEU B 325 ? 0.6499 0.6506 0.6360 0.0586 0.0516 0.0408 1003 LEU A N 7632 C CA . LEU B 325 ? 0.5730 0.5748 0.5629 0.0589 0.0515 0.0404 1003 LEU A CA 7633 C C . LEU B 325 ? 0.4996 0.5039 0.4902 0.0606 0.0491 0.0398 1003 LEU A C 7634 O O . LEU B 325 ? 0.4732 0.4794 0.4625 0.0617 0.0487 0.0403 1003 LEU A O 7635 C CB . LEU B 325 ? 0.5681 0.5710 0.5609 0.0589 0.0532 0.0406 1003 LEU A CB 7636 C CG . LEU B 325 ? 0.5521 0.5524 0.5437 0.0579 0.0561 0.0407 1003 LEU A CG 7637 C CD1 . LEU B 325 ? 0.6082 0.6097 0.6030 0.0589 0.0578 0.0407 1003 LEU A CD1 7638 C CD2 . LEU B 325 ? 0.5179 0.5167 0.5095 0.0566 0.0574 0.0409 1003 LEU A CD2 7639 N N . PRO B 326 ? 0.4872 0.4910 0.4793 0.0606 0.0476 0.0387 1004 PRO A N 7640 C CA . PRO B 326 ? 0.4795 0.4847 0.4706 0.0627 0.0450 0.0376 1004 PRO A CA 7641 C C . PRO B 326 ? 0.5122 0.5210 0.5054 0.0640 0.0440 0.0374 1004 PRO A C 7642 O O . PRO B 326 ? 0.4724 0.4826 0.4694 0.0633 0.0447 0.0377 1004 PRO A O 7643 C CB . PRO B 326 ? 0.4740 0.4760 0.4657 0.0618 0.0434 0.0360 1004 PRO A CB 7644 C CG . PRO B 326 ? 0.4162 0.4175 0.4121 0.0589 0.0453 0.0367 1004 PRO A CG 7645 C CD . PRO B 326 ? 0.3960 0.3976 0.3905 0.0585 0.0482 0.0384 1004 PRO A CD 7646 N N . LYS B 327 ? 0.5930 0.6032 0.5831 0.0665 0.0424 0.0369 1005 LYS A N 7647 C CA . LYS B 327 ? 0.5887 0.6017 0.5789 0.0685 0.0407 0.0367 1005 LYS A CA 7648 C C . LYS B 327 ? 0.5727 0.5857 0.5653 0.0683 0.0374 0.0340 1005 LYS A C 7649 O O . LYS B 327 ? 0.6399 0.6500 0.6336 0.0664 0.0367 0.0325 1005 LYS A O 7650 C CB . LYS B 327 ? 0.6515 0.6658 0.6364 0.0715 0.0407 0.0374 1005 LYS A CB 7651 C CG . LYS B 327 ? 0.7682 0.7830 0.7520 0.0710 0.0438 0.0400 1005 LYS A CG 7652 C CD . LYS B 327 ? 0.8158 0.8314 0.7997 0.0714 0.0452 0.0425 1005 LYS A CD 7653 C CE . LYS B 327 ? 0.8537 0.8712 0.8330 0.0745 0.0452 0.0438 1005 LYS A CE 7654 N NZ . LYS B 327 ? 0.8348 0.8516 0.8132 0.0749 0.0470 0.0471 1005 LYS A NZ 7655 N N . GLY B 328 ? 0.5451 0.5612 0.5386 0.0700 0.0351 0.0335 1006 GLY A N 7656 C CA . GLY B 328 ? 0.5231 0.5403 0.5196 0.0696 0.0312 0.0306 1006 GLY A CA 7657 C C . GLY B 328 ? 0.5425 0.5645 0.5446 0.0700 0.0297 0.0308 1006 GLY A C 7658 O O . GLY B 328 ? 0.5771 0.6018 0.5790 0.0719 0.0256 0.0290 1006 GLY A O 7659 N N . SER B 329 ? 0.5222 0.5455 0.5293 0.0686 0.0330 0.0329 1007 SER A N 7660 C CA . SER B 329 ? 0.5223 0.5506 0.5351 0.0698 0.0323 0.0336 1007 SER A CA 7661 C C . SER B 329 ? 0.5473 0.5755 0.5550 0.0738 0.0329 0.0361 1007 SER A C 7662 O O . SER B 329 ? 0.5550 0.5793 0.5566 0.0742 0.0355 0.0380 1007 SER A O 7663 C CB . SER B 329 ? 0.5210 0.5502 0.5405 0.0673 0.0361 0.0346 1007 SER A CB 7664 O OG . SER B 329 ? 0.6098 0.6433 0.6338 0.0696 0.0364 0.0358 1007 SER A OG 7665 N N . ALA B 330 ? 0.5329 0.5654 0.5433 0.0766 0.0303 0.0363 1008 ALA A N 7666 C CA . ALA B 330 ? 0.5500 0.5813 0.5554 0.0807 0.0310 0.0392 1008 ALA A CA 7667 C C . ALA B 330 ? 0.5194 0.5472 0.5254 0.0799 0.0360 0.0418 1008 ALA A C 7668 O O . ALA B 330 ? 0.6279 0.6517 0.6282 0.0817 0.0379 0.0446 1008 ALA A O 7669 C CB . ALA B 330 ? 0.5411 0.5778 0.5498 0.0843 0.0269 0.0390 1008 ALA A CB 7670 N N . GLU B 331 ? 0.4152 0.4440 0.4279 0.0773 0.0382 0.0409 1009 GLU A N 7671 C CA . GLU B 331 ? 0.4794 0.5042 0.4917 0.0766 0.0428 0.0426 1009 GLU A CA 7672 C C . GLU B 331 ? 0.4956 0.5145 0.5006 0.0750 0.0449 0.0438 1009 GLU A C 7673 O O . GLU B 331 ? 0.5205 0.5350 0.5224 0.0756 0.0473 0.0457 1009 GLU A O 7674 C CB . GLU B 331 ? 0.4491 0.4757 0.4678 0.0737 0.0451 0.0412 1009 GLU A CB 7675 C CG . GLU B 331 ? 0.5065 0.5286 0.5238 0.0735 0.0496 0.0422 1009 GLU A CG 7676 C CD . GLU B 331 ? 0.5692 0.5935 0.5920 0.0714 0.0525 0.0412 1009 GLU A CD 7677 O OE1 . GLU B 331 ? 0.5822 0.6104 0.6096 0.0689 0.0514 0.0400 1009 GLU A OE1 7678 O OE2 . GLU B 331 ? 0.5642 0.5857 0.5863 0.0722 0.0561 0.0416 1009 GLU A OE2 7679 N N . ALA B 332 ? 0.4444 0.4633 0.4470 0.0731 0.0438 0.0426 1010 ALA A N 7680 C CA . ALA B 332 ? 0.4576 0.4728 0.4546 0.0719 0.0455 0.0436 1010 ALA A CA 7681 C C . ALA B 332 ? 0.5296 0.5438 0.5215 0.0744 0.0455 0.0461 1010 ALA A C 7682 O O . ALA B 332 ? 0.6214 0.6323 0.6106 0.0734 0.0480 0.0480 1010 ALA A O 7683 C CB . ALA B 332 ? 0.3364 0.3522 0.3322 0.0703 0.0442 0.0418 1010 ALA A CB 7684 N N . GLU B 333 ? 0.4592 0.4760 0.4496 0.0775 0.0426 0.0460 1011 GLU A N 7685 C CA . GLU B 333 ? 0.4685 0.4839 0.4529 0.0804 0.0428 0.0489 1011 GLU A CA 7686 C C . GLU B 333 ? 0.4804 0.4919 0.4647 0.0814 0.0450 0.0519 1011 GLU A C 7687 O O . GLU B 333 ? 0.5500 0.5579 0.5297 0.0817 0.0473 0.0550 1011 GLU A O 7688 C CB . GLU B 333 ? 0.4777 0.4965 0.4595 0.0841 0.0387 0.0480 1011 GLU A CB 7689 C CG . GLU B 333 ? 0.4897 0.5107 0.4699 0.0836 0.0362 0.0447 1011 GLU A CG 7690 C CD . GLU B 333 ? 0.5705 0.5898 0.5469 0.0821 0.0391 0.0453 1011 GLU A CD 7691 O OE1 . GLU B 333 ? 0.6318 0.6510 0.6106 0.0796 0.0391 0.0429 1011 GLU A OE1 7692 O OE2 . GLU B 333 ? 0.6243 0.6425 0.5957 0.0834 0.0416 0.0484 1011 GLU A OE2 7693 N N . LEU B 334 ? 0.4420 0.4539 0.4316 0.0821 0.0447 0.0511 1012 LEU A N 7694 C CA . LEU B 334 ? 0.4324 0.4392 0.4216 0.0834 0.0470 0.0535 1012 LEU A CA 7695 C C . LEU B 334 ? 0.4936 0.4952 0.4824 0.0795 0.0507 0.0536 1012 LEU A C 7696 O O . LEU B 334 ? 0.5778 0.5732 0.5632 0.0791 0.0528 0.0562 1012 LEU A O 7697 C CB . LEU B 334 ? 0.4214 0.4311 0.4166 0.0861 0.0458 0.0524 1012 LEU A CB 7698 C CG . LEU B 334 ? 0.4424 0.4579 0.4385 0.0903 0.0414 0.0522 1012 LEU A CG 7699 C CD1 . LEU B 334 ? 0.4469 0.4685 0.4522 0.0915 0.0400 0.0501 1012 LEU A CD1 7700 C CD2 . LEU B 334 ? 0.3842 0.3957 0.3740 0.0949 0.0409 0.0561 1012 LEU A CD2 7701 N N . MET B 335 ? 0.4719 0.4753 0.4639 0.0763 0.0511 0.0509 1013 MET A N 7702 C CA . MET B 335 ? 0.4634 0.4625 0.4546 0.0727 0.0537 0.0504 1013 MET A CA 7703 C C . MET B 335 ? 0.5595 0.5568 0.5468 0.0706 0.0546 0.0523 1013 MET A C 7704 O O . MET B 335 ? 0.5900 0.5828 0.5763 0.0679 0.0564 0.0527 1013 MET A O 7705 C CB . MET B 335 ? 0.4772 0.4790 0.4712 0.0703 0.0537 0.0476 1013 MET A CB 7706 C CG . MET B 335 ? 0.6147 0.6125 0.6089 0.0685 0.0561 0.0464 1013 MET A CG 7707 S SD . MET B 335 ? 0.6278 0.6237 0.6247 0.0720 0.0576 0.0463 1013 MET A SD 7708 C CE . MET B 335 ? 0.6172 0.6219 0.6202 0.0744 0.0551 0.0459 1013 MET A CE 7709 N N . SER B 336 ? 0.5112 0.5123 0.4965 0.0718 0.0533 0.0532 1014 SER A N 7710 C CA . SER B 336 ? 0.5202 0.5209 0.5025 0.0702 0.0548 0.0554 1014 SER A CA 7711 C C . SER B 336 ? 0.5819 0.5770 0.5617 0.0704 0.0569 0.0590 1014 SER A C 7712 O O . SER B 336 ? 0.6665 0.6598 0.6458 0.0673 0.0590 0.0608 1014 SER A O 7713 C CB . SER B 336 ? 0.5824 0.5882 0.5620 0.0724 0.0534 0.0556 1014 SER A CB 7714 O OG . SER B 336 ? 0.6312 0.6370 0.6076 0.0765 0.0520 0.0572 1014 SER A OG 7715 N N . VAL B 337 ? 0.5018 0.4940 0.4804 0.0740 0.0563 0.0603 1015 VAL A N 7716 C CA . VAL B 337 ? 0.5001 0.4851 0.4754 0.0747 0.0582 0.0641 1015 VAL A CA 7717 C C . VAL B 337 ? 0.4703 0.4480 0.4473 0.0737 0.0594 0.0632 1015 VAL A C 7718 O O . VAL B 337 ? 0.4014 0.3711 0.3758 0.0735 0.0612 0.0661 1015 VAL A O 7719 C CB . VAL B 337 ? 0.4621 0.4472 0.4334 0.0803 0.0567 0.0668 1015 VAL A CB 7720 C CG1 . VAL B 337 ? 0.3962 0.3803 0.3700 0.0841 0.0548 0.0655 1015 VAL A CG1 7721 C CG2 . VAL B 337 ? 0.4903 0.4690 0.4561 0.0805 0.0594 0.0721 1015 VAL A CG2 7722 N N . VAL B 338 ? 0.4809 0.4603 0.4616 0.0731 0.0587 0.0594 1016 VAL A N 7723 C CA . VAL B 338 ? 0.5083 0.4807 0.4897 0.0725 0.0601 0.0580 1016 VAL A CA 7724 C C . VAL B 338 ? 0.5547 0.5198 0.5341 0.0679 0.0620 0.0586 1016 VAL A C 7725 O O . VAL B 338 ? 0.6143 0.5701 0.5915 0.0684 0.0633 0.0601 1016 VAL A O 7726 C CB . VAL B 338 ? 0.4687 0.4451 0.4536 0.0721 0.0596 0.0539 1016 VAL A CB 7727 C CG1 . VAL B 338 ? 0.3927 0.3616 0.3766 0.0708 0.0615 0.0519 1016 VAL A CG1 7728 C CG2 . VAL B 338 ? 0.5094 0.4915 0.4977 0.0766 0.0582 0.0533 1016 VAL A CG2 7729 N N . PRO B 339 ? 0.5390 0.5075 0.5196 0.0632 0.0619 0.0575 1017 PRO A N 7730 C CA . PRO B 339 ? 0.4936 0.4560 0.4737 0.0583 0.0631 0.0576 1017 PRO A CA 7731 C C . PRO B 339 ? 0.5702 0.5273 0.5484 0.0572 0.0648 0.0621 1017 PRO A C 7732 O O . PRO B 339 ? 0.5944 0.5417 0.5714 0.0548 0.0659 0.0626 1017 PRO A O 7733 C CB . PRO B 339 ? 0.4442 0.4144 0.4269 0.0545 0.0621 0.0559 1017 PRO A CB 7734 C CG . PRO B 339 ? 0.4701 0.4475 0.4538 0.0576 0.0606 0.0540 1017 PRO A CG 7735 C CD . PRO B 339 ? 0.5376 0.5155 0.5202 0.0624 0.0605 0.0561 1017 PRO A CD 7736 N N . VAL B 340 ? 0.5794 0.5418 0.5568 0.0588 0.0653 0.0655 1018 VAL A N 7737 C CA . VAL B 340 ? 0.5622 0.5195 0.5370 0.0581 0.0677 0.0707 1018 VAL A CA 7738 C C . VAL B 340 ? 0.5327 0.4791 0.5037 0.0617 0.0681 0.0725 1018 VAL A C 7739 O O . VAL B 340 ? 0.5193 0.4559 0.4884 0.0595 0.0702 0.0754 1018 VAL A O 7740 C CB . VAL B 340 ? 0.6294 0.5944 0.6023 0.0605 0.0682 0.0738 1018 VAL A CB 7741 C CG1 . VAL B 340 ? 0.5931 0.5525 0.5623 0.0599 0.0713 0.0798 1018 VAL A CG1 7742 C CG2 . VAL B 340 ? 0.7223 0.6975 0.6989 0.0576 0.0678 0.0718 1018 VAL A CG2 7743 N N . PHE B 341 ? 0.5059 0.4538 0.4763 0.0673 0.0663 0.0708 1019 PHE A N 7744 C CA . PHE B 341 ? 0.5066 0.4451 0.4739 0.0719 0.0665 0.0724 1019 PHE A CA 7745 C C . PHE B 341 ? 0.5219 0.4497 0.4893 0.0692 0.0676 0.0701 1019 PHE A C 7746 O O . PHE B 341 ? 0.4898 0.4057 0.4537 0.0695 0.0691 0.0729 1019 PHE A O 7747 C CB . PHE B 341 ? 0.4704 0.4146 0.4390 0.0783 0.0642 0.0706 1019 PHE A CB 7748 C CG . PHE B 341 ? 0.4887 0.4241 0.4558 0.0831 0.0644 0.0709 1019 PHE A CG 7749 C CD1 . PHE B 341 ? 0.4812 0.4094 0.4434 0.0873 0.0648 0.0758 1019 PHE A CD1 7750 C CD2 . PHE B 341 ? 0.4662 0.3997 0.4360 0.0838 0.0646 0.0666 1019 PHE A CD2 7751 C CE1 . PHE B 341 ? 0.4969 0.4163 0.4576 0.0924 0.0650 0.0762 1019 PHE A CE1 7752 C CE2 . PHE B 341 ? 0.4923 0.4177 0.4607 0.0889 0.0652 0.0667 1019 PHE A CE2 7753 C CZ . PHE B 341 ? 0.5083 0.4266 0.4724 0.0933 0.0652 0.0715 1019 PHE A CZ 7754 N N . TYR B 342 ? 0.5388 0.4694 0.5092 0.0669 0.0668 0.0650 1020 TYR A N 7755 C CA . TYR B 342 ? 0.5726 0.4923 0.5416 0.0651 0.0675 0.0622 1020 TYR A CA 7756 C C . TYR B 342 ? 0.5675 0.4795 0.5358 0.0583 0.0686 0.0633 1020 TYR A C 7757 O O . TYR B 342 ? 0.5660 0.4648 0.5314 0.0574 0.0694 0.0629 1020 TYR A O 7758 C CB . TYR B 342 ? 0.5053 0.4299 0.4763 0.0648 0.0665 0.0566 1020 TYR A CB 7759 C CG . TYR B 342 ? 0.5050 0.4334 0.4770 0.0716 0.0663 0.0554 1020 TYR A CG 7760 C CD1 . TYR B 342 ? 0.4652 0.3848 0.4351 0.0763 0.0674 0.0551 1020 TYR A CD1 7761 C CD2 . TYR B 342 ? 0.4920 0.4330 0.4678 0.0732 0.0651 0.0548 1020 TYR A CD2 7762 C CE1 . TYR B 342 ? 0.4609 0.3856 0.4332 0.0826 0.0674 0.0542 1020 TYR A CE1 7763 C CE2 . TYR B 342 ? 0.4693 0.4148 0.4476 0.0787 0.0648 0.0538 1020 TYR A CE2 7764 C CZ . TYR B 342 ? 0.4648 0.4029 0.4418 0.0835 0.0661 0.0536 1020 TYR A CZ 7765 O OH . TYR B 342 ? 0.5186 0.4627 0.4995 0.0891 0.0660 0.0527 1020 TYR A OH 7766 N N . VAL B 343 ? 0.5330 0.4528 0.5042 0.0534 0.0686 0.0647 1021 VAL A N 7767 C CA . VAL B 343 ? 0.5847 0.4990 0.5570 0.0465 0.0698 0.0665 1021 VAL A CA 7768 C C . VAL B 343 ? 0.6667 0.5707 0.6353 0.0475 0.0722 0.0723 1021 VAL A C 7769 O O . VAL B 343 ? 0.7006 0.5919 0.6679 0.0439 0.0732 0.0729 1021 VAL A O 7770 C CB . VAL B 343 ? 0.5625 0.4895 0.5397 0.0420 0.0696 0.0671 1021 VAL A CB 7771 C CG1 . VAL B 343 ? 0.4997 0.4231 0.4792 0.0354 0.0718 0.0709 1021 VAL A CG1 7772 C CG2 . VAL B 343 ? 0.5405 0.4738 0.5206 0.0396 0.0670 0.0614 1021 VAL A CG2 7773 N N . PHE B 344 ? 0.6585 0.5672 0.6250 0.0526 0.0730 0.0766 1022 PHE A N 7774 C CA . PHE B 344 ? 0.6113 0.5099 0.5728 0.0546 0.0753 0.0828 1022 PHE A CA 7775 C C . PHE B 344 ? 0.5776 0.4615 0.5351 0.0585 0.0751 0.0819 1022 PHE A C 7776 O O . PHE B 344 ? 0.6299 0.4999 0.5842 0.0567 0.0771 0.0853 1022 PHE A O 7777 C CB . PHE B 344 ? 0.6185 0.5253 0.5771 0.0607 0.0754 0.0868 1022 PHE A CB 7778 C CG . PHE B 344 ? 0.5936 0.4929 0.5468 0.0615 0.0783 0.0942 1022 PHE A CG 7779 C CD1 . PHE B 344 ? 0.5916 0.4779 0.5389 0.0665 0.0787 0.0974 1022 PHE A CD1 7780 C CD2 . PHE B 344 ? 0.5834 0.4886 0.5370 0.0576 0.0810 0.0983 1022 PHE A CD2 7781 C CE1 . PHE B 344 ? 0.5782 0.4565 0.5193 0.0675 0.0816 0.1048 1022 PHE A CE1 7782 C CE2 . PHE B 344 ? 0.5498 0.4480 0.4976 0.0584 0.0844 0.1058 1022 PHE A CE2 7783 C CZ . PHE B 344 ? 0.5529 0.4371 0.4941 0.0632 0.0846 0.1092 1022 PHE A CZ 7784 N N . HIS B 345 ? 0.5460 0.4325 0.5038 0.0638 0.0730 0.0775 1023 HIS A N 7785 C CA . HIS B 345 ? 0.5712 0.4450 0.5255 0.0687 0.0730 0.0763 1023 HIS A CA 7786 C C . HIS B 345 ? 0.6768 0.5372 0.6302 0.0630 0.0737 0.0733 1023 HIS A C 7787 O O . HIS B 345 ? 0.7076 0.5520 0.6565 0.0645 0.0749 0.0749 1023 HIS A O 7788 C CB . HIS B 345 ? 0.5991 0.4812 0.5555 0.0749 0.0712 0.0718 1023 HIS A CB 7789 C CG . HIS B 345 ? 0.6430 0.5143 0.5965 0.0810 0.0715 0.0701 1023 HIS A CG 7790 N ND1 . HIS B 345 ? 0.6725 0.5343 0.6217 0.0870 0.0721 0.0746 1023 HIS A ND1 7791 C CD2 . HIS B 345 ? 0.6792 0.5481 0.6333 0.0828 0.0714 0.0645 1023 HIS A CD2 7792 C CE1 . HIS B 345 ? 0.7106 0.5645 0.6584 0.0923 0.0723 0.0716 1023 HIS A CE1 7793 N NE2 . HIS B 345 ? 0.7085 0.5666 0.6591 0.0898 0.0722 0.0654 1023 HIS A NE2 7794 N N . TYR B 346 ? 0.6849 0.5509 0.6421 0.0565 0.0727 0.0688 1024 TYR A N 7795 C CA . TYR B 346 ? 0.6589 0.5130 0.6154 0.0502 0.0725 0.0655 1024 TYR A CA 7796 C C . TYR B 346 ? 0.6418 0.4862 0.5980 0.0442 0.0745 0.0707 1024 TYR A C 7797 O O . TYR B 346 ? 0.6291 0.4563 0.5815 0.0431 0.0752 0.0709 1024 TYR A O 7798 C CB . TYR B 346 ? 0.6288 0.4928 0.5895 0.0447 0.0704 0.0601 1024 TYR A CB 7799 C CG . TYR B 346 ? 0.6037 0.4572 0.5642 0.0372 0.0693 0.0564 1024 TYR A CG 7800 C CD1 . TYR B 346 ? 0.6638 0.5045 0.6192 0.0390 0.0684 0.0511 1024 TYR A CD1 7801 C CD2 . TYR B 346 ? 0.5916 0.4480 0.5571 0.0285 0.0691 0.0580 1024 TYR A CD2 7802 C CE1 . TYR B 346 ? 0.6922 0.5224 0.6467 0.0321 0.0668 0.0471 1024 TYR A CE1 7803 C CE2 . TYR B 346 ? 0.6685 0.5158 0.6347 0.0211 0.0674 0.0543 1024 TYR A CE2 7804 C CZ . TYR B 346 ? 0.7442 0.5779 0.7044 0.0229 0.0660 0.0487 1024 TYR A CZ 7805 O OH . TYR B 346 ? 0.8320 0.6559 0.7923 0.0154 0.0637 0.0444 1024 TYR A OH 7806 N N . LEU B 347 ? 0.6567 0.5116 0.6168 0.0404 0.0756 0.0750 1025 LEU A N 7807 C CA . LEU B 347 ? 0.6615 0.5090 0.6226 0.0335 0.0781 0.0802 1025 LEU A CA 7808 C C . LEU B 347 ? 0.7201 0.5526 0.6744 0.0380 0.0807 0.0863 1025 LEU A C 7809 O O . LEU B 347 ? 0.7745 0.5922 0.7274 0.0329 0.0824 0.0889 1025 LEU A O 7810 C CB . LEU B 347 ? 0.6487 0.5122 0.6150 0.0299 0.0795 0.0838 1025 LEU A CB 7811 C CG . LEU B 347 ? 0.6838 0.5617 0.6573 0.0250 0.0772 0.0787 1025 LEU A CG 7812 C CD1 . LEU B 347 ? 0.7036 0.5960 0.6820 0.0222 0.0792 0.0829 1025 LEU A CD1 7813 C CD2 . LEU B 347 ? 0.7090 0.5791 0.6858 0.0170 0.0754 0.0742 1025 LEU A CD2 7814 N N . GLU B 348 ? 0.6838 0.5195 0.6339 0.0473 0.0806 0.0887 1026 GLU A N 7815 C CA . GLU B 348 ? 0.6896 0.5119 0.6326 0.0525 0.0826 0.0950 1026 GLU A CA 7816 C C . GLU B 348 ? 0.6750 0.4802 0.6134 0.0570 0.0817 0.0921 1026 GLU A C 7817 O O . GLU B 348 ? 0.7387 0.5258 0.6725 0.0559 0.0836 0.0957 1026 GLU A O 7818 C CB . GLU B 348 ? 0.6949 0.5281 0.6351 0.0610 0.0823 0.0989 1026 GLU A CB 7819 C CG . GLU B 348 ? 0.7269 0.5476 0.6589 0.0671 0.0840 0.1062 1026 GLU A CG 7820 C CD . GLU B 348 ? 0.7763 0.5882 0.7060 0.0606 0.0882 0.1135 1026 GLU A CD 7821 O OE1 . GLU B 348 ? 0.8056 0.6268 0.7409 0.0525 0.0898 0.1137 1026 GLU A OE1 7822 O OE2 . GLU B 348 ? 0.7833 0.5792 0.7058 0.0637 0.0901 0.1193 1026 GLU A OE2 7823 N N . THR B 349 ? 0.6348 0.4450 0.5741 0.0621 0.0792 0.0856 1027 THR A N 7824 C CA . THR B 349 ? 0.6964 0.4914 0.6311 0.0677 0.0788 0.0826 1027 THR A CA 7825 C C . THR B 349 ? 0.7385 0.5169 0.6720 0.0602 0.0791 0.0792 1027 THR A C 7826 O O . THR B 349 ? 0.7751 0.5339 0.7028 0.0624 0.0802 0.0806 1027 THR A O 7827 C CB . THR B 349 ? 0.6762 0.4819 0.6130 0.0741 0.0768 0.0763 1027 THR A CB 7828 O OG1 . THR B 349 ? 0.6939 0.5138 0.6322 0.0809 0.0760 0.0794 1027 THR A OG1 7829 C CG2 . THR B 349 ? 0.5977 0.3884 0.5299 0.0804 0.0769 0.0729 1027 THR A CG2 7830 N N . GLY B 350 ? 0.7183 0.5037 0.6569 0.0516 0.0779 0.0746 1028 GLY A N 7831 C CA . GLY B 350 ? 0.7724 0.5432 0.7104 0.0437 0.0773 0.0708 1028 GLY A CA 7832 C C . GLY B 350 ? 0.8657 0.6291 0.8057 0.0344 0.0792 0.0763 1028 GLY A C 7833 O O . GLY B 350 ? 0.8967 0.6464 0.8366 0.0272 0.0785 0.0734 1028 GLY A O 7834 N N . ASN B 351 ? 0.8867 0.6587 0.8285 0.0344 0.0817 0.0840 1029 ASN A N 7835 C CA . ASN B 351 ? 0.9222 0.6900 0.8668 0.0255 0.0845 0.0902 1029 ASN A CA 7836 C C . ASN B 351 ? 0.8653 0.6389 0.8182 0.0139 0.0828 0.0854 1029 ASN A C 7837 O O . ASN B 351 ? 0.8794 0.6387 0.8332 0.0062 0.0824 0.0837 1029 ASN A O 7838 C CB . ASN B 351 ? 1.0456 0.7886 0.9834 0.0258 0.0868 0.0948 1029 ASN A CB 7839 C CG . ASN B 351 ? 1.2133 0.9548 1.1462 0.0307 0.0905 0.1049 1029 ASN A CG 7840 O OD1 . ASN B 351 ? 1.2661 1.0248 1.2017 0.0314 0.0918 0.1088 1029 ASN A OD1 7841 N ND2 . ASN B 351 ? 1.3049 1.0250 1.2298 0.0346 0.0922 0.1092 1029 ASN A ND2 7842 N N . HIS B 352 ? 0.7495 0.5445 0.7086 0.0130 0.0814 0.0832 1030 HIS A N 7843 C CA . HIS B 352 ? 0.7652 0.5699 0.7328 0.0035 0.0792 0.0786 1030 HIS A CA 7844 C C . HIS B 352 ? 0.7964 0.6182 0.7718 -0.0012 0.0817 0.0840 1030 HIS A C 7845 O O . HIS B 352 ? 0.8278 0.6659 0.8103 -0.0047 0.0796 0.0806 1030 HIS A O 7846 C CB . HIS B 352 ? 0.7300 0.5443 0.6979 0.0067 0.0749 0.0701 1030 HIS A CB 7847 C CG . HIS B 352 ? 0.7491 0.5476 0.7096 0.0111 0.0728 0.0642 1030 HIS A CG 7848 N ND1 . HIS B 352 ? 0.7685 0.5705 0.7242 0.0206 0.0719 0.0608 1030 HIS A ND1 7849 C CD2 . HIS B 352 ? 0.7722 0.5512 0.7292 0.0073 0.0718 0.0609 1030 HIS A CD2 7850 C CE1 . HIS B 352 ? 0.7950 0.5811 0.7445 0.0230 0.0707 0.0559 1030 HIS A CE1 7851 N NE2 . HIS B 352 ? 0.8056 0.5768 0.7552 0.0152 0.0704 0.0556 1030 HIS A NE2 7852 N N . TRP B 353 ? 0.8035 0.6216 0.7769 -0.0007 0.0863 0.0927 1031 TRP A N 7853 C CA . TRP B 353 ? 0.8232 0.6572 0.8029 -0.0043 0.0896 0.0983 1031 TRP A CA 7854 C C . TRP B 353 ? 0.8821 0.7187 0.8723 -0.0169 0.0904 0.0984 1031 TRP A C 7855 O O . TRP B 353 ? 0.8901 0.7432 0.8877 -0.0204 0.0927 0.1016 1031 TRP A O 7856 C CB . TRP B 353 ? 0.7794 0.6082 0.7523 0.0005 0.0946 0.1077 1031 TRP A CB 7857 C CG . TRP B 353 ? 0.7222 0.5527 0.6866 0.0127 0.0933 0.1077 1031 TRP A CG 7858 C CD1 . TRP B 353 ? 0.7348 0.5497 0.6900 0.0201 0.0929 0.1089 1031 TRP A CD1 7859 C CD2 . TRP B 353 ? 0.6940 0.5430 0.6588 0.0189 0.0919 0.1062 1031 TRP A CD2 7860 N NE1 . TRP B 353 ? 0.7321 0.5561 0.6831 0.0303 0.0912 0.1082 1031 TRP A NE1 7861 C CE2 . TRP B 353 ? 0.7286 0.5729 0.6851 0.0294 0.0905 0.1064 1031 TRP A CE2 7862 C CE3 . TRP B 353 ? 0.6746 0.5434 0.6462 0.0167 0.0916 0.1045 1031 TRP A CE3 7863 C CZ2 . TRP B 353 ? 0.7154 0.5741 0.6706 0.0368 0.0886 0.1049 1031 TRP A CZ2 7864 C CZ3 . TRP B 353 ? 0.6154 0.4970 0.5846 0.0245 0.0899 0.1031 1031 TRP A CZ3 7865 C CH2 . TRP B 353 ? 0.6391 0.5155 0.6004 0.0340 0.0883 0.1032 1031 TRP A CH2 7866 N N . ASN B 354 ? 0.9398 0.7611 0.9311 -0.0236 0.0883 0.0948 1032 ASN A N 7867 C CA . ASN B 354 ? 1.0550 0.8791 1.0575 -0.0362 0.0881 0.0940 1032 ASN A CA 7868 C C . ASN B 354 ? 1.0763 0.9190 1.0875 -0.0392 0.0832 0.0866 1032 ASN A C 7869 O O . ASN B 354 ? 1.1079 0.9576 1.1302 -0.0493 0.0825 0.0858 1032 ASN A O 7870 C CB . ASN B 354 ? 1.1277 0.9280 1.1278 -0.0423 0.0866 0.0916 1032 ASN A CB 7871 C CG . ASN B 354 ? 1.1792 0.9672 1.1701 -0.0355 0.0818 0.0836 1032 ASN A CG 7872 O OD1 . ASN B 354 ? 1.2129 1.0052 1.1968 -0.0247 0.0813 0.0826 1032 ASN A OD1 7873 N ND2 . ASN B 354 ? 1.2022 0.9747 1.1929 -0.0418 0.0785 0.0778 1032 ASN A ND2 7874 N N . ILE B 355 ? 1.0940 0.9452 1.1008 -0.0308 0.0799 0.0815 1033 ILE A N 7875 C CA . ILE B 355 ? 1.1449 1.0138 1.1588 -0.0325 0.0755 0.0754 1033 ILE A CA 7876 C C . ILE B 355 ? 1.1460 1.0352 1.1703 -0.0361 0.0784 0.0799 1033 ILE A C 7877 O O . ILE B 355 ? 1.1466 1.0487 1.1808 -0.0420 0.0754 0.0764 1033 ILE A O 7878 C CB . ILE B 355 ? 1.1933 1.0666 1.1996 -0.0222 0.0727 0.0706 1033 ILE A CB 7879 C CG1 . ILE B 355 ? 1.2445 1.0989 1.2416 -0.0190 0.0700 0.0654 1033 ILE A CG1 7880 C CG2 . ILE B 355 ? 1.2036 1.0952 1.2161 -0.0231 0.0686 0.0654 1033 ILE A CG2 7881 C CD1 . ILE B 355 ? 1.2882 1.1465 1.2783 -0.0091 0.0680 0.0613 1033 ILE A CD1 7882 N N . PHE B 356 ? 1.1556 1.0478 1.1775 -0.0323 0.0840 0.0878 1034 PHE A N 7883 C CA . PHE B 356 ? 1.1356 1.0463 1.1665 -0.0351 0.0878 0.0926 1034 PHE A CA 7884 C C . PHE B 356 ? 1.2086 1.1172 1.2498 -0.0469 0.0906 0.0963 1034 PHE A C 7885 O O . PHE B 356 ? 1.1935 1.0845 1.2311 -0.0504 0.0934 0.1003 1034 PHE A O 7886 C CB . PHE B 356 ? 1.0348 0.9483 1.0584 -0.0269 0.0929 0.0996 1034 PHE A CB 7887 C CG . PHE B 356 ? 0.9718 0.8864 0.9859 -0.0159 0.0902 0.0964 1034 PHE A CG 7888 C CD1 . PHE B 356 ? 0.9438 0.8758 0.9604 -0.0116 0.0881 0.0931 1034 PHE A CD1 7889 C CD2 . PHE B 356 ? 0.9917 0.8900 0.9949 -0.0097 0.0897 0.0966 1034 PHE A CD2 7890 C CE1 . PHE B 356 ? 0.9363 0.8691 0.9450 -0.0023 0.0856 0.0902 1034 PHE A CE1 7891 C CE2 . PHE B 356 ? 0.9790 0.8797 0.9751 -0.0001 0.0872 0.0937 1034 PHE A CE2 7892 C CZ . PHE B 356 ? 0.9452 0.8631 0.9443 0.0032 0.0852 0.0905 1034 PHE A CZ 7893 N N . HIS B 357 ? 1.2850 1.2119 1.3395 -0.0531 0.0899 0.0951 1035 HIS A N 7894 C CA . HIS B 357 ? 1.3651 1.2935 1.4319 -0.0650 0.0928 0.0988 1035 HIS A CA 7895 C C . HIS B 357 ? 1.3678 1.2995 1.4351 -0.0652 0.1018 0.1092 1035 HIS A C 7896 O O . HIS B 357 ? 1.3457 1.2731 1.4205 -0.0747 0.1059 0.1142 1035 HIS A O 7897 C CB . HIS B 357 ? 1.4410 1.3897 1.5229 -0.0711 0.0889 0.0940 1035 HIS A CB 7898 C CG . HIS B 357 ? 1.5007 1.4501 1.5804 -0.0686 0.0802 0.0840 1035 HIS A CG 7899 N ND1 . HIS B 357 ? 1.4952 1.4519 1.5675 -0.0581 0.0777 0.0806 1035 HIS A ND1 7900 C CD2 . HIS B 357 ? 1.5358 1.4793 1.6192 -0.0752 0.0735 0.0768 1035 HIS A CD2 7901 C CE1 . HIS B 357 ? 1.4996 1.4548 1.5708 -0.0583 0.0704 0.0723 1035 HIS A CE1 7902 N NE2 . HIS B 357 ? 1.5349 1.4823 1.6122 -0.0683 0.0675 0.0696 1035 HIS A NE2 7903 N N . SER B 358 ? 1.4003 1.3393 1.4596 -0.0550 0.1049 0.1126 1036 SER A N 7904 C CA . SER B 358 ? 1.4093 1.3519 1.4667 -0.0535 0.1133 0.1223 1036 SER A CA 7905 C C . SER B 358 ? 1.3776 1.2986 1.4196 -0.0480 0.1160 0.1274 1036 SER A C 7906 O O . SER B 358 ? 1.3826 1.2848 1.4191 -0.0489 0.1124 0.1243 1036 SER A O 7907 C CB . SER B 358 ? 1.4009 1.3643 1.4583 -0.0455 0.1147 0.1225 1036 SER A CB 7908 O OG . SER B 358 ? 1.4122 1.3730 1.4583 -0.0349 0.1100 0.1176 1036 SER A OG 7909 N N . ASP B 359 ? 1.3085 1.2319 1.3428 -0.0419 0.1220 0.1349 1037 ASP A N 7910 C CA . ASP B 359 ? 1.2547 1.1588 1.2741 -0.0360 0.1245 0.1404 1037 ASP A CA 7911 C C . ASP B 359 ? 1.1104 1.0087 1.1187 -0.0252 0.1184 0.1345 1037 ASP A C 7912 O O . ASP B 359 ? 1.0133 0.9255 1.0193 -0.0176 0.1167 0.1319 1037 ASP A O 7913 C CB . ASP B 359 ? 1.2968 1.2065 1.3104 -0.0320 0.1325 0.1501 1037 ASP A CB 7914 C CG . ASP B 359 ? 1.3401 1.2301 1.3374 -0.0252 0.1347 0.1564 1037 ASP A CG 7915 O OD1 . ASP B 359 ? 1.3616 1.2315 1.3553 -0.0274 0.1327 0.1558 1037 ASP A OD1 7916 O OD2 . ASP B 359 ? 1.3485 1.2432 1.3363 -0.0172 0.1384 0.1617 1037 ASP A OD2 7917 N N . PRO B 360 ? 1.0942 0.9726 1.0960 -0.0242 0.1153 0.1323 1038 PRO A N 7918 C CA . PRO B 360 ? 1.0827 0.9571 1.0752 -0.0140 0.1099 0.1268 1038 PRO A CA 7919 C C . PRO B 360 ? 1.0287 0.9037 1.0093 -0.0031 0.1121 0.1319 1038 PRO A C 7920 O O . PRO B 360 ? 1.0168 0.8977 0.9930 0.0053 0.1080 0.1273 1038 PRO A O 7921 C CB . PRO B 360 ? 1.1199 0.9717 1.1085 -0.0161 0.1073 0.1243 1038 PRO A CB 7922 C CG . PRO B 360 ? 1.1293 0.9767 1.1282 -0.0291 0.1091 0.1254 1038 PRO A CG 7923 C CD . PRO B 360 ? 1.1098 0.9690 1.1134 -0.0328 0.1160 0.1338 1038 PRO A CD 7924 N N . LEU B 361 ? 0.9922 0.8610 0.9674 -0.0031 0.1183 0.1413 1039 LEU A N 7925 C CA . LEU B 361 ? 0.9216 0.7898 0.8841 0.0077 0.1198 0.1463 1039 LEU A CA 7926 C C . LEU B 361 ? 0.8738 0.7633 0.8371 0.0127 0.1196 0.1445 1039 LEU A C 7927 O O . LEU B 361 ? 0.8377 0.7300 0.7925 0.0225 0.1168 0.1432 1039 LEU A O 7928 C CB . LEU B 361 ? 0.9631 0.8196 0.9188 0.0061 0.1269 0.1572 1039 LEU A CB 7929 C CG . LEU B 361 ? 1.0235 0.8680 0.9634 0.0169 0.1270 0.1624 1039 LEU A CG 7930 C CD1 . LEU B 361 ? 1.0571 0.8793 0.9928 0.0177 0.1241 0.1612 1039 LEU A CD1 7931 C CD2 . LEU B 361 ? 1.0239 0.8663 0.9563 0.0173 0.1347 0.1736 1039 LEU A CD2 7932 N N . ILE B 362 ? 0.8867 0.7915 0.8605 0.0061 0.1223 0.1444 1040 ILE A N 7933 C CA . ILE B 362 ? 0.9380 0.8626 0.9131 0.0109 0.1220 0.1420 1040 ILE A CA 7934 C C . ILE B 362 ? 0.9390 0.8701 0.9168 0.0146 0.1145 0.1322 1040 ILE A C 7935 O O . ILE B 362 ? 0.8697 0.8104 0.8429 0.0223 0.1124 0.1298 1040 ILE A O 7936 C CB . ILE B 362 ? 0.9531 0.8925 0.9398 0.0032 0.1272 0.1445 1040 ILE A CB 7937 C CG1 . ILE B 362 ? 0.9692 0.9034 0.9518 0.0006 0.1357 0.1552 1040 ILE A CG1 7938 C CG2 . ILE B 362 ? 0.9378 0.8973 0.9268 0.0081 0.1262 0.1407 1040 ILE A CG2 7939 C CD1 . ILE B 362 ? 0.9701 0.9195 0.9651 -0.0072 0.1418 0.1585 1040 ILE A CD1 7940 N N . GLU B 363 ? 0.9743 0.9000 0.9589 0.0093 0.1104 0.1264 1041 GLU A N 7941 C CA . GLU B 363 ? 0.9958 0.9267 0.9821 0.0127 0.1038 0.1176 1041 GLU A CA 7942 C C . GLU B 363 ? 0.9384 0.8600 0.9139 0.0220 0.1005 0.1163 1041 GLU A C 7943 O O . GLU B 363 ? 0.9286 0.8585 0.9024 0.0280 0.0968 0.1116 1041 GLU A O 7944 C CB . GLU B 363 ? 1.0625 0.9893 1.0575 0.0048 0.1004 0.1120 1041 GLU A CB 7945 C CG . GLU B 363 ? 1.1461 1.0825 1.1534 -0.0051 0.1027 0.1129 1041 GLU A CG 7946 C CD . GLU B 363 ? 1.1770 1.1346 1.1904 -0.0034 0.1029 0.1112 1041 GLU A CD 7947 O OE1 . GLU B 363 ? 1.1965 1.1603 1.2066 0.0033 0.0989 0.1063 1041 GLU A OE1 7948 O OE2 . GLU B 363 ? 1.2118 1.1797 1.2334 -0.0088 0.1071 0.1150 1041 GLU A OE2 7949 N N . LYS B 364 ? 0.8862 0.7908 0.8548 0.0231 0.1018 0.1204 1042 LYS A N 7950 C CA . LYS B 364 ? 0.8555 0.7526 0.8143 0.0327 0.0991 0.1200 1042 LYS A CA 7951 C C . LYS B 364 ? 0.9494 0.8556 0.9011 0.0404 0.1001 0.1235 1042 LYS A C 7952 O O . LYS B 364 ? 0.9936 0.9031 0.9411 0.0482 0.0961 0.1202 1042 LYS A O 7953 C CB . LYS B 364 ? 0.7217 0.5982 0.6744 0.0327 0.1007 0.1244 1042 LYS A CB 7954 C CG . LYS B 364 ? 0.6756 0.5443 0.6190 0.0430 0.0977 0.1243 1042 LYS A CG 7955 C CD . LYS B 364 ? 0.7113 0.5585 0.6488 0.0433 0.0992 0.1285 1042 LYS A CD 7956 C CE . LYS B 364 ? 0.7707 0.6115 0.6993 0.0545 0.0963 0.1289 1042 LYS A CE 7957 N NZ . LYS B 364 ? 0.8176 0.6367 0.7406 0.0560 0.0971 0.1319 1042 LYS A NZ 7958 N N . GLN B 365 ? 0.9513 0.8622 0.9018 0.0384 0.1055 0.1299 1043 GLN A N 7959 C CA . GLN B 365 ? 0.9675 0.8881 0.9108 0.0455 0.1065 0.1325 1043 GLN A CA 7960 C C . GLN B 365 ? 0.8418 0.7785 0.7899 0.0478 0.1026 0.1252 1043 GLN A C 7961 O O . GLN B 365 ? 0.8438 0.7842 0.7860 0.0555 0.0989 0.1227 1043 GLN A O 7962 C CB . GLN B 365 ? 1.1739 1.0977 1.1160 0.0421 0.1138 0.1404 1043 GLN A CB 7963 C CG . GLN B 365 ? 1.3618 1.2719 1.2920 0.0455 0.1176 0.1492 1043 GLN A CG 7964 C CD . GLN B 365 ? 1.5098 1.4244 1.4275 0.0558 0.1168 0.1514 1043 GLN A CD 7965 O OE1 . GLN B 365 ? 1.5924 1.4971 1.5003 0.0630 0.1141 0.1532 1043 GLN A OE1 7966 N NE2 . GLN B 365 ? 1.5564 1.4860 1.4743 0.0571 0.1189 0.1511 1043 GLN A NE2 7967 N N . LYS B 366 ? 0.7570 0.7031 0.7158 0.0410 0.1031 0.1219 1044 LYS A N 7968 C CA . LYS B 366 ? 0.7594 0.7198 0.7226 0.0431 0.0997 0.1154 1044 LYS A CA 7969 C C . LYS B 366 ? 0.7413 0.6990 0.7033 0.0474 0.0933 0.1089 1044 LYS A C 7970 O O . LYS B 366 ? 0.7495 0.7146 0.7088 0.0532 0.0903 0.1056 1044 LYS A O 7971 C CB . LYS B 366 ? 0.8841 0.8536 0.8595 0.0350 0.1006 0.1128 1044 LYS A CB 7972 C CG . LYS B 366 ? 0.9770 0.9561 0.9559 0.0318 0.1067 0.1180 1044 LYS A CG 7973 C CD . LYS B 366 ? 1.0780 1.0695 1.0700 0.0255 0.1061 0.1140 1044 LYS A CD 7974 C CE . LYS B 366 ? 1.1029 1.1029 1.0965 0.0298 0.1004 0.1063 1044 LYS A CE 7975 N NZ . LYS B 366 ? 1.0631 1.0744 1.0687 0.0245 0.0990 0.1023 1044 LYS A NZ 7976 N N . LEU B 367 ? 0.6886 0.6354 0.6527 0.0447 0.0914 0.1069 1045 LEU A N 7977 C CA . LEU B 367 ? 0.7279 0.6728 0.6915 0.0487 0.0862 0.1009 1045 LEU A CA 7978 C C . LEU B 367 ? 0.7492 0.6907 0.7041 0.0573 0.0845 0.1026 1045 LEU A C 7979 O O . LEU B 367 ? 0.7806 0.7275 0.7352 0.0621 0.0805 0.0981 1045 LEU A O 7980 C CB . LEU B 367 ? 0.7446 0.6782 0.7115 0.0443 0.0850 0.0983 1045 LEU A CB 7981 C CG . LEU B 367 ? 0.7315 0.6701 0.7074 0.0365 0.0842 0.0940 1045 LEU A CG 7982 C CD1 . LEU B 367 ? 0.7848 0.7110 0.7617 0.0334 0.0822 0.0905 1045 LEU A CD1 7983 C CD2 . LEU B 367 ? 0.6910 0.6436 0.6705 0.0384 0.0812 0.0888 1045 LEU A CD2 7984 N N . LYS B 368 ? 0.7491 0.6817 0.6968 0.0595 0.0874 0.1092 1046 LYS A N 7985 C CA . LYS B 368 ? 0.7335 0.6638 0.6725 0.0683 0.0853 0.1111 1046 LYS A CA 7986 C C . LYS B 368 ? 0.7524 0.6959 0.6886 0.0727 0.0839 0.1099 1046 LYS A C 7987 O O . LYS B 368 ? 0.7575 0.7048 0.6916 0.0787 0.0794 0.1066 1046 LYS A O 7988 C CB . LYS B 368 ? 0.7330 0.6510 0.6638 0.0698 0.0889 0.1193 1046 LYS A CB 7989 C CG . LYS B 368 ? 0.7905 0.7022 0.7126 0.0789 0.0860 0.1212 1046 LYS A CG 7990 C CD . LYS B 368 ? 0.9167 0.8163 0.8296 0.0804 0.0902 0.1302 1046 LYS A CD 7991 C CE . LYS B 368 ? 1.0228 0.9165 0.9264 0.0903 0.0869 0.1327 1046 LYS A CE 7992 N NZ . LYS B 368 ? 1.0816 0.9669 0.9886 0.0925 0.0835 0.1290 1046 LYS A NZ 7993 N N . LYS B 369 ? 0.7338 0.6847 0.6707 0.0696 0.0876 0.1121 1047 LYS A N 7994 C CA . LYS B 369 ? 0.7143 0.6769 0.6478 0.0739 0.0867 0.1107 1047 LYS A CA 7995 C C . LYS B 369 ? 0.6749 0.6461 0.6148 0.0742 0.0819 0.1027 1047 LYS A C 7996 O O . LYS B 369 ? 0.6686 0.6446 0.6048 0.0798 0.0781 0.0997 1047 LYS A O 7997 C CB . LYS B 369 ? 0.7647 0.7335 0.6984 0.0705 0.0925 0.1147 1047 LYS A CB 7998 C CG . LYS B 369 ? 0.8384 0.8179 0.7668 0.0756 0.0924 0.1135 1047 LYS A CG 7999 C CD . LYS B 369 ? 0.9311 0.9064 0.8459 0.0832 0.0921 0.1178 1047 LYS A CD 8000 C CE . LYS B 369 ? 0.9824 0.9674 0.8908 0.0888 0.0910 0.1154 1047 LYS A CE 8001 N NZ . LYS B 369 ? 1.0031 0.9971 0.9148 0.0856 0.0966 0.1166 1047 LYS A NZ 8002 N N . LYS B 370 ? 0.6684 0.6416 0.6177 0.0679 0.0820 0.0991 1048 LYS A N 8003 C CA . LYS B 370 ? 0.6175 0.5976 0.5724 0.0680 0.0778 0.0921 1048 LYS A CA 8004 C C . LYS B 370 ? 0.5705 0.5463 0.5244 0.0720 0.0733 0.0889 1048 LYS A C 8005 O O . LYS B 370 ? 0.5376 0.5194 0.4929 0.0745 0.0696 0.0843 1048 LYS A O 8006 C CB . LYS B 370 ? 0.6396 0.6214 0.6036 0.0608 0.0785 0.0895 1048 LYS A CB 8007 C CG . LYS B 370 ? 0.8173 0.8067 0.7850 0.0568 0.0824 0.0917 1048 LYS A CG 8008 C CD . LYS B 370 ? 0.9310 0.9204 0.9078 0.0491 0.0830 0.0902 1048 LYS A CD 8009 C CE . LYS B 370 ? 0.9732 0.9700 0.9556 0.0483 0.0793 0.0839 1048 LYS A CE 8010 N NZ . LYS B 370 ? 0.9993 0.9904 0.9805 0.0503 0.0751 0.0795 1048 LYS A NZ 8011 N N . LEU B 371 ? 0.4973 0.4627 0.4490 0.0728 0.0737 0.0915 1049 LEU A N 8012 C CA . LEU B 371 ? 0.4608 0.4229 0.4120 0.0774 0.0699 0.0889 1049 LEU A CA 8013 C C . LEU B 371 ? 0.5447 0.5111 0.4899 0.0845 0.0670 0.0896 1049 LEU A C 8014 O O . LEU B 371 ? 0.5532 0.5246 0.5009 0.0875 0.0629 0.0853 1049 LEU A O 8015 C CB . LEU B 371 ? 0.4445 0.3938 0.3943 0.0771 0.0713 0.0918 1049 LEU A CB 8016 C CG . LEU B 371 ? 0.4721 0.4176 0.4229 0.0816 0.0681 0.0889 1049 LEU A CG 8017 C CD1 . LEU B 371 ? 0.4777 0.4287 0.4359 0.0790 0.0662 0.0824 1049 LEU A CD1 8018 C CD2 . LEU B 371 ? 0.5300 0.4612 0.4782 0.0817 0.0701 0.0922 1049 LEU A CD2 8019 N N . LYS B 372 ? 0.5981 0.5627 0.5354 0.0871 0.0690 0.0950 1050 LYS A N 8020 C CA . LYS B 372 ? 0.6637 0.6324 0.5939 0.0941 0.0658 0.0955 1050 LYS A CA 8021 C C . LYS B 372 ? 0.6704 0.6501 0.6023 0.0944 0.0633 0.0904 1050 LYS A C 8022 O O . LYS B 372 ? 0.7396 0.7239 0.6718 0.0983 0.0583 0.0865 1050 LYS A O 8023 C CB . LYS B 372 ? 0.7070 0.6711 0.6268 0.0968 0.0692 0.1027 1050 LYS A CB 8024 C CG . LYS B 372 ? 0.7827 0.7490 0.6931 0.1048 0.0654 0.1037 1050 LYS A CG 8025 C CD . LYS B 372 ? 0.8127 0.7728 0.7112 0.1077 0.0693 0.1116 1050 LYS A CD 8026 C CE . LYS B 372 ? 0.8704 0.8347 0.7672 0.1037 0.0751 0.1139 1050 LYS A CE 8027 N NZ . LYS B 372 ? 0.8591 0.8182 0.7436 0.1068 0.0795 0.1220 1050 LYS A NZ 8028 N N . GLU B 373 ? 0.6327 0.6168 0.5665 0.0901 0.0667 0.0903 1051 GLU A N 8029 C CA . GLU B 373 ? 0.6312 0.6245 0.5663 0.0906 0.0647 0.0856 1051 GLU A CA 8030 C C . GLU B 373 ? 0.6245 0.6205 0.5676 0.0892 0.0606 0.0793 1051 GLU A C 8031 O O . GLU B 373 ? 0.7004 0.7015 0.6431 0.0918 0.0566 0.0752 1051 GLU A O 8032 C CB . GLU B 373 ? 0.7020 0.6994 0.6393 0.0863 0.0694 0.0867 1051 GLU A CB 8033 C CG . GLU B 373 ? 0.7957 0.7920 0.7252 0.0876 0.0744 0.0931 1051 GLU A CG 8034 C CD . GLU B 373 ? 0.8760 0.8779 0.8102 0.0829 0.0795 0.0944 1051 GLU A CD 8035 O OE1 . GLU B 373 ? 0.9084 0.9141 0.8516 0.0785 0.0787 0.0905 1051 GLU A OE1 8036 O OE2 . GLU B 373 ? 0.9164 0.9192 0.8450 0.0837 0.0844 0.0995 1051 GLU A OE2 8037 N N . GLY B 374 ? 0.5605 0.5528 0.5104 0.0850 0.0615 0.0785 1052 GLY A N 8038 C CA . GLY B 374 ? 0.5433 0.5377 0.4999 0.0839 0.0583 0.0732 1052 GLY A CA 8039 C C . GLY B 374 ? 0.5826 0.5771 0.5387 0.0887 0.0542 0.0719 1052 GLY A C 8040 O O . GLY B 374 ? 0.6065 0.6060 0.5665 0.0893 0.0508 0.0675 1052 GLY A O 8041 N N . MET B 375 ? 0.6318 0.6208 0.5834 0.0922 0.0543 0.0758 1053 MET A N 8042 C CA . MET B 375 ? 0.6093 0.5993 0.5612 0.0974 0.0501 0.0747 1053 MET A CA 8043 C C . MET B 375 ? 0.5793 0.5762 0.5273 0.1014 0.0459 0.0729 1053 MET A C 8044 O O . MET B 375 ? 0.5779 0.5792 0.5293 0.1041 0.0413 0.0699 1053 MET A O 8045 C CB . MET B 375 ? 0.6683 0.6501 0.6156 0.1010 0.0512 0.0798 1053 MET A CB 8046 C CG . MET B 375 ? 0.7494 0.7318 0.6997 0.1060 0.0474 0.0786 1053 MET A CG 8047 S SD . MET B 375 ? 0.8543 0.8364 0.8155 0.1030 0.0481 0.0743 1053 MET A SD 8048 C CE . MET B 375 ? 0.7923 0.7868 0.7607 0.1023 0.0438 0.0682 1053 MET A CE 8049 N N . LEU B 376 ? 0.5664 0.5646 0.5073 0.1016 0.0473 0.0744 1054 LEU A N 8050 C CA . LEU B 376 ? 0.6027 0.6065 0.5386 0.1056 0.0430 0.0719 1054 LEU A CA 8051 C C . LEU B 376 ? 0.6779 0.6877 0.6202 0.1029 0.0402 0.0656 1054 LEU A C 8052 O O . LEU B 376 ? 0.7167 0.7307 0.6568 0.1058 0.0354 0.0623 1054 LEU A O 8053 C CB . LEU B 376 ? 0.6045 0.6076 0.5299 0.1073 0.0460 0.0755 1054 LEU A CB 8054 C CG . LEU B 376 ? 0.6265 0.6336 0.5432 0.1126 0.0418 0.0733 1054 LEU A CG 8055 C CD1 . LEU B 376 ? 0.6303 0.6371 0.5441 0.1181 0.0362 0.0737 1054 LEU A CD1 8056 C CD2 . LEU B 376 ? 0.6196 0.6257 0.5255 0.1144 0.0461 0.0773 1054 LEU A CD2 8057 N N . SER B 377 ? 0.7068 0.7166 0.6565 0.0976 0.0428 0.0639 1055 SER A N 8058 C CA . SER B 377 ? 0.6806 0.6947 0.6348 0.0951 0.0409 0.0587 1055 SER A CA 8059 C C . SER B 377 ? 0.5951 0.6129 0.5543 0.0963 0.0355 0.0546 1055 SER A C 8060 O O . SER B 377 ? 0.5544 0.5753 0.5148 0.0955 0.0327 0.0504 1055 SER A O 8061 C CB . SER B 377 ? 0.6996 0.7125 0.6605 0.0897 0.0444 0.0581 1055 SER A CB 8062 O OG . SER B 377 ? 0.7907 0.8018 0.7486 0.0879 0.0489 0.0614 1055 SER A OG 8063 N N . ILE B 378 ? 0.5617 0.5792 0.5243 0.0982 0.0340 0.0557 1056 ILE A N 8064 C CA . ILE B 378 ? 0.5172 0.5397 0.4874 0.0985 0.0295 0.0519 1056 ILE A CA 8065 C C . ILE B 378 ? 0.5240 0.5502 0.4900 0.1034 0.0236 0.0508 1056 ILE A C 8066 O O . ILE B 378 ? 0.4907 0.5224 0.4636 0.1033 0.0190 0.0471 1056 ILE A O 8067 C CB . ILE B 378 ? 0.4868 0.5086 0.4646 0.0981 0.0310 0.0530 1056 ILE A CB 8068 C CG1 . ILE B 378 ? 0.5623 0.5903 0.5504 0.0963 0.0281 0.0488 1056 ILE A CG1 8069 C CG2 . ILE B 378 ? 0.3995 0.4193 0.3735 0.1036 0.0300 0.0568 1056 ILE A CG2 8070 C CD1 . ILE B 378 ? 0.6205 0.6507 0.6157 0.0985 0.0280 0.0496 1056 ILE A CD1 8071 N N . MET B 379 ? 0.5001 0.5238 0.4552 0.1075 0.0236 0.0538 1057 MET A N 8072 C CA . MET B 379 ? 0.5399 0.5667 0.4894 0.1129 0.0176 0.0530 1057 MET A CA 8073 C C . MET B 379 ? 0.5608 0.5925 0.5120 0.1119 0.0121 0.0468 1057 MET A C 8074 O O . MET B 379 ? 0.5996 0.6360 0.5523 0.1147 0.0056 0.0443 1057 MET A O 8075 C CB . MET B 379 ? 0.5207 0.5431 0.4563 0.1173 0.0195 0.0576 1057 MET A CB 8076 C CG . MET B 379 ? 0.5125 0.5369 0.4403 0.1240 0.0135 0.0580 1057 MET A CG 8077 S SD . MET B 379 ? 0.6129 0.6379 0.5457 0.1283 0.0108 0.0611 1057 MET A SD 8078 C CE . MET B 379 ? 0.6802 0.6950 0.6067 0.1285 0.0190 0.0691 1057 MET A CE 8079 N N . SER B 380 ? 0.5326 0.5631 0.4839 0.1080 0.0143 0.0442 1058 SER A N 8080 C CA . SER B 380 ? 0.5547 0.5879 0.5074 0.1067 0.0093 0.0381 1058 SER A CA 8081 C C . SER B 380 ? 0.5947 0.6331 0.5603 0.1039 0.0051 0.0347 1058 SER A C 8082 O O . SER B 380 ? 0.6272 0.6689 0.5941 0.1040 -0.0012 0.0300 1058 SER A O 8083 C CB . SER B 380 ? 0.5094 0.5395 0.4613 0.1030 0.0130 0.0364 1058 SER A CB 8084 O OG . SER B 380 ? 0.6008 0.6275 0.5443 0.1045 0.0184 0.0404 1058 SER A OG 8085 N N . TYR B 381 ? 0.5574 0.5966 0.5326 0.1011 0.0086 0.0367 1059 TYR A N 8086 C CA . TYR B 381 ? 0.5098 0.5547 0.4983 0.0981 0.0062 0.0339 1059 TYR A CA 8087 C C . TYR B 381 ? 0.5527 0.6037 0.5457 0.1021 0.0018 0.0346 1059 TYR A C 8088 O O . TYR B 381 ? 0.5351 0.5924 0.5406 0.1001 0.0005 0.0329 1059 TYR A O 8089 C CB . TYR B 381 ? 0.4336 0.4766 0.4296 0.0937 0.0124 0.0356 1059 TYR A CB 8090 C CG . TYR B 381 ? 0.4427 0.4809 0.4363 0.0895 0.0159 0.0344 1059 TYR A CG 8091 C CD1 . TYR B 381 ? 0.4749 0.5078 0.4598 0.0903 0.0200 0.0371 1059 TYR A CD1 8092 C CD2 . TYR B 381 ? 0.4209 0.4601 0.4215 0.0848 0.0151 0.0310 1059 TYR A CD2 8093 C CE1 . TYR B 381 ? 0.4834 0.5129 0.4668 0.0871 0.0228 0.0361 1059 TYR A CE1 8094 C CE2 . TYR B 381 ? 0.4530 0.4873 0.4510 0.0817 0.0180 0.0303 1059 TYR A CE2 8095 C CZ . TYR B 381 ? 0.5015 0.5314 0.4910 0.0832 0.0216 0.0327 1059 TYR A CZ 8096 O OH . TYR B 381 ? 0.5105 0.5366 0.4980 0.0807 0.0241 0.0320 1059 TYR A OH 8097 N N . ARG B 382 ? 0.5502 0.6001 0.5337 0.1081 -0.0002 0.0372 1060 ARG A N 8098 C CA . ARG B 382 ? 0.4914 0.5470 0.4781 0.1131 -0.0048 0.0382 1060 ARG A CA 8099 C C . ARG B 382 ? 0.4932 0.5543 0.4778 0.1153 -0.0136 0.0338 1060 ARG A C 8100 O O . ARG B 382 ? 0.5197 0.5770 0.4923 0.1168 -0.0155 0.0324 1060 ARG A O 8101 C CB . ARG B 382 ? 0.4663 0.5165 0.4432 0.1189 -0.0022 0.0442 1060 ARG A CB 8102 C CG . ARG B 382 ? 0.4715 0.5271 0.4528 0.1246 -0.0064 0.0458 1060 ARG A CG 8103 C CD . ARG B 382 ? 0.5276 0.5758 0.4994 0.1301 -0.0031 0.0523 1060 ARG A CD 8104 N NE . ARG B 382 ? 0.5924 0.6366 0.5484 0.1346 -0.0052 0.0544 1060 ARG A NE 8105 C CZ . ARG B 382 ? 0.5688 0.6058 0.5139 0.1396 -0.0028 0.0605 1060 ARG A CZ 8106 N NH1 . ARG B 382 ? 0.4990 0.5314 0.4477 0.1407 0.0015 0.0647 1060 ARG A NH1 8107 N NH2 . ARG B 382 ? 0.5849 0.6186 0.5150 0.1436 -0.0043 0.0624 1060 ARG A NH2 8108 N N . ASN B 383 ? 0.4849 0.5554 0.4813 0.1157 -0.0190 0.0313 1061 ASN A N 8109 C CA . ASN B 383 ? 0.5099 0.5870 0.5066 0.1173 -0.0285 0.0265 1061 ASN A CA 8110 C C . ASN B 383 ? 0.5910 0.6694 0.5783 0.1259 -0.0332 0.0293 1061 ASN A C 8111 O O . ASN B 383 ? 0.6203 0.6942 0.6019 0.1303 -0.0289 0.0351 1061 ASN A O 8112 C CB . ASN B 383 ? 0.4866 0.5744 0.5022 0.1129 -0.0321 0.0226 1061 ASN A CB 8113 C CG . ASN B 383 ? 0.5065 0.5921 0.5307 0.1047 -0.0268 0.0208 1061 ASN A CG 8114 O OD1 . ASN B 383 ? 0.5650 0.6467 0.5860 0.1006 -0.0282 0.0169 1061 ASN A OD1 8115 N ND2 . ASN B 383 ? 0.4916 0.5789 0.5258 0.1026 -0.0206 0.0236 1061 ASN A ND2 8116 N N . ALA B 384 ? 0.5843 0.6682 0.5693 0.1283 -0.0426 0.0249 1062 ALA A N 8117 C CA . ALA B 384 ? 0.5076 0.5924 0.4815 0.1370 -0.0480 0.0273 1062 ALA A CA 8118 C C . ALA B 384 ? 0.5133 0.6045 0.4964 0.1416 -0.0486 0.0312 1062 ALA A C 8119 O O . ALA B 384 ? 0.5034 0.5910 0.4758 0.1491 -0.0487 0.0363 1062 ALA A O 8120 C CB . ALA B 384 ? 0.4528 0.5431 0.4233 0.1383 -0.0589 0.0208 1062 ALA A CB 8121 N N . ASP B 385 ? 0.4755 0.5758 0.4781 0.1375 -0.0486 0.0291 1063 ASP A N 8122 C CA . ASP B 385 ? 0.4702 0.5774 0.4831 0.1421 -0.0487 0.0324 1063 ASP A CA 8123 C C . ASP B 385 ? 0.5361 0.6352 0.5491 0.1419 -0.0382 0.0381 1063 ASP A C 8124 O O . ASP B 385 ? 0.6115 0.7158 0.6355 0.1443 -0.0365 0.0400 1063 ASP A O 8125 C CB . ASP B 385 ? 0.4433 0.5655 0.4777 0.1382 -0.0534 0.0276 1063 ASP A CB 8126 C CG . ASP B 385 ? 0.5557 0.6777 0.6020 0.1287 -0.0468 0.0254 1063 ASP A CG 8127 O OD1 . ASP B 385 ? 0.6111 0.7220 0.6482 0.1247 -0.0407 0.0261 1063 ASP A OD1 8128 O OD2 . ASP B 385 ? 0.5916 0.7251 0.6566 0.1254 -0.0477 0.0232 1063 ASP A OD2 8129 N N . TYR B 386 ? 0.4974 0.5842 0.4985 0.1392 -0.0313 0.0404 1064 TYR A N 8130 C CA . TYR B 386 ? 0.4986 0.5760 0.4973 0.1386 -0.0218 0.0455 1064 TYR A CA 8131 C C . TYR B 386 ? 0.5426 0.6231 0.5565 0.1325 -0.0165 0.0440 1064 TYR A C 8132 O O . TYR B 386 ? 0.5418 0.6159 0.5558 0.1326 -0.0095 0.0476 1064 TYR A O 8133 C CB . TYR B 386 ? 0.4732 0.5468 0.4660 0.1470 -0.0214 0.0514 1064 TYR A CB 8134 C CG . TYR B 386 ? 0.5150 0.5828 0.4897 0.1531 -0.0248 0.0544 1064 TYR A CG 8135 C CD1 . TYR B 386 ? 0.4543 0.5298 0.4266 0.1586 -0.0344 0.0524 1064 TYR A CD1 8136 C CD2 . TYR B 386 ? 0.5161 0.5710 0.4761 0.1533 -0.0185 0.0594 1064 TYR A CD2 8137 C CE1 . TYR B 386 ? 0.5119 0.5817 0.4660 0.1647 -0.0373 0.0554 1064 TYR A CE1 8138 C CE2 . TYR B 386 ? 0.5039 0.5535 0.4468 0.1590 -0.0207 0.0627 1064 TYR A CE2 8139 C CZ . TYR B 386 ? 0.5244 0.5812 0.4637 0.1649 -0.0301 0.0607 1064 TYR A CZ 8140 O OH . TYR B 386 ? 0.4951 0.5462 0.4158 0.1711 -0.0323 0.0642 1064 TYR A OH 8141 N N . SER B 387 ? 0.5508 0.6405 0.5773 0.1272 -0.0195 0.0387 1065 SER A N 8142 C CA . SER B 387 ? 0.5261 0.6171 0.5644 0.1205 -0.0136 0.0374 1065 SER A CA 8143 C C . SER B 387 ? 0.4839 0.5651 0.5140 0.1146 -0.0087 0.0369 1065 SER A C 8144 O O . SER B 387 ? 0.5152 0.5908 0.5327 0.1152 -0.0105 0.0366 1065 SER A O 8145 C CB . SER B 387 ? 0.5832 0.6875 0.6382 0.1166 -0.0182 0.0326 1065 SER A CB 8146 O OG . SER B 387 ? 0.6081 0.7132 0.6600 0.1132 -0.0241 0.0281 1065 SER A OG 8147 N N . TYR B 388 ? 0.4237 0.5034 0.4608 0.1091 -0.0025 0.0367 1066 TYR A N 8148 C CA . TYR B 388 ? 0.4443 0.5155 0.4750 0.1038 0.0022 0.0363 1066 TYR A CA 8149 C C . TYR B 388 ? 0.4855 0.5609 0.5267 0.0968 0.0025 0.0325 1066 TYR A C 8150 O O . TYR B 388 ? 0.4868 0.5700 0.5414 0.0951 0.0031 0.0316 1066 TYR A O 8151 C CB . TYR B 388 ? 0.4830 0.5456 0.5090 0.1039 0.0099 0.0404 1066 TYR A CB 8152 C CG . TYR B 388 ? 0.4731 0.5285 0.4867 0.1094 0.0106 0.0447 1066 TYR A CG 8153 C CD1 . TYR B 388 ? 0.4520 0.4996 0.4534 0.1086 0.0124 0.0461 1066 TYR A CD1 8154 C CD2 . TYR B 388 ? 0.4546 0.5108 0.4690 0.1155 0.0100 0.0476 1066 TYR A CD2 8155 C CE1 . TYR B 388 ? 0.4628 0.5037 0.4532 0.1130 0.0138 0.0506 1066 TYR A CE1 8156 C CE2 . TYR B 388 ? 0.4707 0.5190 0.4733 0.1202 0.0110 0.0522 1066 TYR A CE2 8157 C CZ . TYR B 388 ? 0.4695 0.5102 0.4602 0.1186 0.0131 0.0537 1066 TYR A CZ 8158 O OH . TYR B 388 ? 0.4774 0.5102 0.4567 0.1228 0.0148 0.0588 1066 TYR A OH 8159 N N . SER B 389 ? 0.4553 0.5252 0.4904 0.0928 0.0026 0.0304 1067 SER A N 8160 C CA . SER B 389 ? 0.4446 0.5158 0.4873 0.0861 0.0030 0.0271 1067 SER A CA 8161 C C . SER B 389 ? 0.4717 0.5346 0.5103 0.0826 0.0101 0.0288 1067 SER A C 8162 O O . SER B 389 ? 0.5159 0.5714 0.5433 0.0844 0.0126 0.0309 1067 SER A O 8163 C CB . SER B 389 ? 0.3971 0.4680 0.4359 0.0848 -0.0036 0.0227 1067 SER A CB 8164 O OG . SER B 389 ? 0.4443 0.5232 0.4865 0.0881 -0.0111 0.0206 1067 SER A OG 8165 N N . VAL B 390 ? 0.4089 0.4734 0.4566 0.0774 0.0133 0.0281 1068 VAL A N 8166 C CA . VAL B 390 ? 0.4001 0.4568 0.4436 0.0741 0.0193 0.0295 1068 VAL A CA 8167 C C . VAL B 390 ? 0.4144 0.4644 0.4490 0.0726 0.0177 0.0277 1068 VAL A C 8168 O O . VAL B 390 ? 0.4605 0.5037 0.4864 0.0731 0.0210 0.0294 1068 VAL A O 8169 C CB . VAL B 390 ? 0.4306 0.4905 0.4850 0.0693 0.0230 0.0293 1068 VAL A CB 8170 C CG1 . VAL B 390 ? 0.4216 0.4732 0.4704 0.0661 0.0283 0.0305 1068 VAL A CG1 8171 C CG2 . VAL B 390 ? 0.3389 0.4053 0.4014 0.0718 0.0257 0.0312 1068 VAL A CG2 8172 N N . TRP B 391 ? 0.3937 0.4456 0.4307 0.0707 0.0124 0.0239 1069 TRP A N 8173 C CA . TRP B 391 ? 0.4164 0.4617 0.4451 0.0698 0.0104 0.0215 1069 TRP A CA 8174 C C . TRP B 391 ? 0.4519 0.4984 0.4736 0.0742 0.0042 0.0193 1069 TRP A C 8175 O O . TRP B 391 ? 0.4509 0.5042 0.4782 0.0752 -0.0010 0.0174 1069 TRP A O 8176 C CB . TRP B 391 ? 0.3979 0.4419 0.4334 0.0639 0.0093 0.0185 1069 TRP A CB 8177 C CG . TRP B 391 ? 0.4208 0.4654 0.4642 0.0600 0.0151 0.0210 1069 TRP A CG 8178 C CD1 . TRP B 391 ? 0.3768 0.4288 0.4332 0.0569 0.0157 0.0211 1069 TRP A CD1 8179 C CD2 . TRP B 391 ? 0.3810 0.4193 0.4196 0.0591 0.0212 0.0238 1069 TRP A CD2 8180 N NE1 . TRP B 391 ? 0.4138 0.4637 0.4727 0.0543 0.0223 0.0239 1069 TRP A NE1 8181 C CE2 . TRP B 391 ? 0.3833 0.4246 0.4310 0.0556 0.0254 0.0254 1069 TRP A CE2 8182 C CE3 . TRP B 391 ? 0.3871 0.4183 0.4149 0.0611 0.0235 0.0250 1069 TRP A CE3 8183 C CZ2 . TRP B 391 ? 0.4308 0.4671 0.4756 0.0543 0.0313 0.0281 1069 TRP A CZ2 8184 C CZ3 . TRP B 391 ? 0.4456 0.4728 0.4720 0.0594 0.0289 0.0276 1069 TRP A CZ3 8185 C CH2 . TRP B 391 ? 0.3976 0.4269 0.4317 0.0562 0.0326 0.0290 1069 TRP A CH2 8186 N N . LYS B 392 ? 0.4732 0.5135 0.4824 0.0771 0.0048 0.0195 1070 LYS A N 8187 C CA . LYS B 392 ? 0.4978 0.5383 0.4978 0.0819 -0.0001 0.0179 1070 LYS A CA 8188 C C . LYS B 392 ? 0.4940 0.5364 0.4971 0.0802 -0.0074 0.0122 1070 LYS A C 8189 O O . LYS B 392 ? 0.5001 0.5380 0.5047 0.0761 -0.0080 0.0091 1070 LYS A O 8190 C CB . LYS B 392 ? 0.5099 0.5438 0.4969 0.0847 0.0028 0.0189 1070 LYS A CB 8191 C CG . LYS B 392 ? 0.5210 0.5550 0.4964 0.0907 -0.0003 0.0188 1070 LYS A CG 8192 C CD . LYS B 392 ? 0.4996 0.5284 0.4637 0.0933 0.0043 0.0209 1070 LYS A CD 8193 C CE . LYS B 392 ? 0.5187 0.5474 0.4702 0.0995 0.0018 0.0210 1070 LYS A CE 8194 N NZ . LYS B 392 ? 0.5449 0.5700 0.4868 0.1018 0.0073 0.0237 1070 LYS A NZ 8195 N N . GLY B 393 ? 0.4847 0.5333 0.4890 0.0831 -0.0134 0.0108 1071 GLY A N 8196 C CA . GLY B 393 ? 0.4942 0.5460 0.5032 0.0811 -0.0213 0.0051 1071 GLY A CA 8197 C C . GLY B 393 ? 0.5137 0.5728 0.5403 0.0753 -0.0224 0.0040 1071 GLY A C 8198 O O . GLY B 393 ? 0.5659 0.6300 0.5989 0.0734 -0.0296 -0.0005 1071 GLY A O 8199 N N . GLY B 394 ? 0.4729 0.5331 0.5076 0.0724 -0.0155 0.0079 1072 GLY A N 8200 C CA . GLY B 394 ? 0.4563 0.5243 0.5078 0.0674 -0.0153 0.0076 1072 GLY A CA 8201 C C . GLY B 394 ? 0.4867 0.5663 0.5466 0.0709 -0.0178 0.0090 1072 GLY A C 8202 O O . GLY B 394 ? 0.5345 0.6155 0.5866 0.0774 -0.0204 0.0102 1072 GLY A O 8203 N N . SER B 395 ? 0.4582 0.5464 0.5344 0.0667 -0.0166 0.0092 1073 SER A N 8204 C CA . SER B 395 ? 0.4970 0.5978 0.5839 0.0700 -0.0190 0.0102 1073 SER A CA 8205 C C . SER B 395 ? 0.5012 0.6010 0.5837 0.0757 -0.0129 0.0155 1073 SER A C 8206 O O . SER B 395 ? 0.4293 0.5212 0.5062 0.0748 -0.0055 0.0185 1073 SER A O 8207 C CB . SER B 395 ? 0.5523 0.6632 0.6588 0.0637 -0.0183 0.0090 1073 SER A CB 8208 O OG . SER B 395 ? 0.6300 0.7351 0.7386 0.0584 -0.0101 0.0112 1073 SER A OG 8209 N N . ALA B 396 ? 0.5523 0.6599 0.6371 0.0817 -0.0165 0.0166 1074 ALA A N 8210 C CA . ALA B 396 ? 0.5142 0.6202 0.5950 0.0876 -0.0115 0.0215 1074 ALA A CA 8211 C C . ALA B 396 ? 0.5415 0.6514 0.6341 0.0850 -0.0042 0.0236 1074 ALA A C 8212 O O . ALA B 396 ? 0.5794 0.6991 0.6873 0.0809 -0.0048 0.0217 1074 ALA A O 8213 C CB . ALA B 396 ? 0.5092 0.6226 0.5901 0.0951 -0.0176 0.0221 1074 ALA A CB 8214 N N . SER B 397 ? 0.4919 0.5941 0.5774 0.0872 0.0028 0.0274 1075 SER A N 8215 C CA . SER B 397 ? 0.4400 0.5436 0.5334 0.0854 0.0104 0.0293 1075 SER A CA 8216 C C . SER B 397 ? 0.4520 0.5574 0.5456 0.0925 0.0127 0.0324 1075 SER A C 8217 O O . SER B 397 ? 0.4680 0.5652 0.5494 0.0973 0.0128 0.0347 1075 SER A O 8218 C CB . SER B 397 ? 0.4736 0.5656 0.5583 0.0813 0.0169 0.0305 1075 SER A CB 8219 O OG . SER B 397 ? 0.5163 0.6084 0.6053 0.0813 0.0241 0.0327 1075 SER A OG 8220 N N . THR B 398 ? 0.4231 0.5389 0.5309 0.0932 0.0148 0.0325 1076 THR A N 8221 C CA . THR B 398 ? 0.3964 0.5127 0.5049 0.1000 0.0184 0.0353 1076 THR A CA 8222 C C . THR B 398 ? 0.4477 0.5504 0.5448 0.0997 0.0259 0.0376 1076 THR A C 8223 O O . THR B 398 ? 0.4540 0.5492 0.5422 0.1052 0.0271 0.0401 1076 THR A O 8224 C CB . THR B 398 ? 0.4278 0.5584 0.5544 0.1001 0.0206 0.0347 1076 THR A CB 8225 O OG1 . THR B 398 ? 0.4828 0.6271 0.6215 0.0994 0.0130 0.0321 1076 THR A OG1 8226 C CG2 . THR B 398 ? 0.3625 0.4938 0.4900 0.1083 0.0240 0.0372 1076 THR A CG2 8227 N N . TRP B 399 ? 0.4602 0.5592 0.5574 0.0931 0.0307 0.0369 1077 TRP A N 8228 C CA . TRP B 399 ? 0.4260 0.5131 0.5131 0.0923 0.0373 0.0386 1077 TRP A CA 8229 C C . TRP B 399 ? 0.4001 0.4754 0.4720 0.0936 0.0355 0.0399 1077 TRP A C 8230 O O . TRP B 399 ? 0.4323 0.4997 0.4965 0.0975 0.0381 0.0421 1077 TRP A O 8231 C CB . TRP B 399 ? 0.4423 0.5283 0.5317 0.0850 0.0414 0.0376 1077 TRP A CB 8232 C CG . TRP B 399 ? 0.4222 0.4982 0.5034 0.0840 0.0481 0.0388 1077 TRP A CG 8233 C CD1 . TRP B 399 ? 0.4727 0.5494 0.5569 0.0855 0.0543 0.0395 1077 TRP A CD1 8234 C CD2 . TRP B 399 ? 0.4007 0.4651 0.4694 0.0813 0.0491 0.0393 1077 TRP A CD2 8235 N NE1 . TRP B 399 ? 0.5032 0.5687 0.5766 0.0838 0.0585 0.0401 1077 TRP A NE1 8236 C CE2 . TRP B 399 ? 0.4381 0.4965 0.5026 0.0811 0.0553 0.0400 1077 TRP A CE2 8237 C CE3 . TRP B 399 ? 0.4013 0.4602 0.4618 0.0794 0.0453 0.0389 1077 TRP A CE3 8238 C CZ2 . TRP B 399 ? 0.4721 0.5198 0.5255 0.0788 0.0572 0.0404 1077 TRP A CZ2 8239 C CZ3 . TRP B 399 ? 0.4375 0.4865 0.4878 0.0773 0.0478 0.0396 1077 TRP A CZ3 8240 C CH2 . TRP B 399 ? 0.4812 0.5250 0.5284 0.0768 0.0534 0.0403 1077 TRP A CH2 8241 N N . LEU B 400 ? 0.3555 0.4293 0.4230 0.0905 0.0313 0.0386 1078 LEU A N 8242 C CA . LEU B 400 ? 0.4071 0.4706 0.4607 0.0914 0.0306 0.0400 1078 LEU A CA 8243 C C . LEU B 400 ? 0.4448 0.5072 0.4931 0.0981 0.0275 0.0422 1078 LEU A C 8244 O O . LEU B 400 ? 0.4586 0.5116 0.4964 0.0999 0.0296 0.0447 1078 LEU A O 8245 C CB . LEU B 400 ? 0.4334 0.4960 0.4833 0.0874 0.0271 0.0379 1078 LEU A CB 8246 C CG . LEU B 400 ? 0.4820 0.5344 0.5183 0.0878 0.0282 0.0396 1078 LEU A CG 8247 C CD1 . LEU B 400 ? 0.4533 0.4996 0.4866 0.0829 0.0329 0.0394 1078 LEU A CD1 8248 C CD2 . LEU B 400 ? 0.5231 0.5761 0.5535 0.0890 0.0226 0.0383 1078 LEU A CD2 8249 N N . THR B 401 ? 0.4531 0.5249 0.5085 0.1019 0.0225 0.0414 1079 THR A N 8250 C CA . THR B 401 ? 0.4075 0.4780 0.4577 0.1092 0.0197 0.0440 1079 THR A CA 8251 C C . THR B 401 ? 0.4486 0.5133 0.4976 0.1130 0.0250 0.0469 1079 THR A C 8252 O O . THR B 401 ? 0.4520 0.5077 0.4909 0.1169 0.0257 0.0501 1079 THR A O 8253 C CB . THR B 401 ? 0.4250 0.5081 0.4844 0.1127 0.0128 0.0424 1079 THR A CB 8254 O OG1 . THR B 401 ? 0.4452 0.5317 0.5039 0.1091 0.0074 0.0392 1079 THR A OG1 8255 C CG2 . THR B 401 ? 0.3748 0.4562 0.4280 0.1212 0.0095 0.0455 1079 THR A CG2 8256 N N . ALA B 402 ? 0.4323 0.5012 0.4910 0.1119 0.0291 0.0458 1080 ALA A N 8257 C CA . ALA B 402 ? 0.3995 0.4614 0.4559 0.1154 0.0345 0.0478 1080 ALA A CA 8258 C C . ALA B 402 ? 0.3820 0.4296 0.4260 0.1123 0.0387 0.0492 1080 ALA A C 8259 O O . ALA B 402 ? 0.4333 0.4712 0.4697 0.1160 0.0404 0.0518 1080 ALA A O 8260 C CB . ALA B 402 ? 0.4142 0.4834 0.4823 0.1145 0.0388 0.0460 1080 ALA A CB 8261 N N . PHE B 403 ? 0.3602 0.4062 0.4023 0.1055 0.0400 0.0476 1081 PHE A N 8262 C CA . PHE B 403 ? 0.4325 0.4667 0.4644 0.1023 0.0436 0.0487 1081 PHE A CA 8263 C C . PHE B 403 ? 0.4984 0.5258 0.5201 0.1040 0.0413 0.0514 1081 PHE A C 8264 O O . PHE B 403 ? 0.5803 0.5975 0.5945 0.1046 0.0442 0.0537 1081 PHE A O 8265 C CB . PHE B 403 ? 0.4019 0.4368 0.4343 0.0954 0.0450 0.0465 1081 PHE A CB 8266 C CG . PHE B 403 ? 0.4296 0.4544 0.4540 0.0921 0.0489 0.0471 1081 PHE A CG 8267 C CD1 . PHE B 403 ? 0.4783 0.4969 0.5011 0.0931 0.0532 0.0474 1081 PHE A CD1 8268 C CD2 . PHE B 403 ? 0.3969 0.4186 0.4155 0.0882 0.0481 0.0471 1081 PHE A CD2 8269 C CE1 . PHE B 403 ? 0.3582 0.3678 0.3739 0.0898 0.0560 0.0474 1081 PHE A CE1 8270 C CE2 . PHE B 403 ? 0.3861 0.3999 0.3985 0.0851 0.0512 0.0475 1081 PHE A CE2 8271 C CZ . PHE B 403 ? 0.3693 0.3772 0.3804 0.0856 0.0549 0.0476 1081 PHE A CZ 8272 N N . ALA B 404 ? 0.4857 0.5184 0.5065 0.1048 0.0364 0.0512 1082 ALA A N 8273 C CA . ALA B 404 ? 0.4725 0.4996 0.4831 0.1072 0.0345 0.0541 1082 ALA A CA 8274 C C . ALA B 404 ? 0.5104 0.5326 0.5178 0.1137 0.0346 0.0576 1082 ALA A C 8275 O O . ALA B 404 ? 0.4807 0.4934 0.4787 0.1147 0.0363 0.0611 1082 ALA A O 8276 C CB . ALA B 404 ? 0.3726 0.4068 0.3826 0.1080 0.0286 0.0526 1082 ALA A CB 8277 N N . LEU B 405 ? 0.4824 0.5110 0.4979 0.1182 0.0331 0.0569 1083 LEU A N 8278 C CA . LEU B 405 ? 0.4374 0.4604 0.4499 0.1251 0.0334 0.0603 1083 LEU A CA 8279 C C . LEU B 405 ? 0.4909 0.5018 0.4995 0.1239 0.0394 0.0615 1083 LEU A C 8280 O O . LEU B 405 ? 0.5860 0.5866 0.5872 0.1276 0.0406 0.0652 1083 LEU A O 8281 C CB . LEU B 405 ? 0.4110 0.4449 0.4343 0.1307 0.0304 0.0590 1083 LEU A CB 8282 C CG . LEU B 405 ? 0.4468 0.4902 0.4713 0.1345 0.0230 0.0589 1083 LEU A CG 8283 C CD1 . LEU B 405 ? 0.4474 0.5047 0.4860 0.1384 0.0197 0.0567 1083 LEU A CD1 8284 C CD2 . LEU B 405 ? 0.4273 0.4619 0.4395 0.1405 0.0211 0.0636 1083 LEU A CD2 8285 N N . ARG B 406 ? 0.4800 0.4911 0.4928 0.1187 0.0432 0.0586 1084 ARG A N 8286 C CA . ARG B 406 ? 0.5198 0.5190 0.5279 0.1171 0.0484 0.0591 1084 ARG A CA 8287 C C . ARG B 406 ? 0.5396 0.5285 0.5375 0.1132 0.0495 0.0616 1084 ARG A C 8288 O O . ARG B 406 ? 0.5592 0.5366 0.5505 0.1149 0.0514 0.0644 1084 ARG A O 8289 C CB . ARG B 406 ? 0.5213 0.5233 0.5349 0.1127 0.0518 0.0554 1084 ARG A CB 8290 C CG . ARG B 406 ? 0.5538 0.5431 0.5606 0.1096 0.0562 0.0552 1084 ARG A CG 8291 C CD . ARG B 406 ? 0.5905 0.5819 0.6008 0.1059 0.0595 0.0517 1084 ARG A CD 8292 N NE . ARG B 406 ? 0.6118 0.5907 0.6151 0.1035 0.0629 0.0511 1084 ARG A NE 8293 C CZ . ARG B 406 ? 0.5995 0.5768 0.6029 0.1014 0.0661 0.0481 1084 ARG A CZ 8294 N NH1 . ARG B 406 ? 0.5764 0.5637 0.5868 0.1013 0.0672 0.0461 1084 ARG A NH1 8295 N NH2 . ARG B 406 ? 0.6213 0.5868 0.6176 0.0993 0.0683 0.0472 1084 ARG A NH2 8296 N N . VAL B 407 ? 0.5405 0.5335 0.5374 0.1079 0.0485 0.0606 1085 VAL A N 8297 C CA . VAL B 407 ? 0.5177 0.5030 0.5065 0.1039 0.0501 0.0628 1085 VAL A CA 8298 C C . VAL B 407 ? 0.5334 0.5139 0.5148 0.1081 0.0487 0.0675 1085 VAL A C 8299 O O . VAL B 407 ? 0.5269 0.4968 0.5021 0.1073 0.0513 0.0708 1085 VAL A O 8300 C CB . VAL B 407 ? 0.4282 0.4200 0.4178 0.0987 0.0491 0.0607 1085 VAL A CB 8301 C CG1 . VAL B 407 ? 0.3842 0.3701 0.3667 0.0952 0.0509 0.0632 1085 VAL A CG1 8302 C CG2 . VAL B 407 ? 0.3797 0.3745 0.3752 0.0947 0.0509 0.0568 1085 VAL A CG2 8303 N N . LEU B 408 ? 0.5395 0.5276 0.5215 0.1126 0.0444 0.0680 1086 LEU A N 8304 C CA . LEU B 408 ? 0.5266 0.5103 0.5005 0.1176 0.0427 0.0727 1086 LEU A CA 8305 C C . LEU B 408 ? 0.5413 0.5149 0.5128 0.1224 0.0445 0.0759 1086 LEU A C 8306 O O . LEU B 408 ? 0.5610 0.5243 0.5239 0.1235 0.0462 0.0807 1086 LEU A O 8307 C CB . LEU B 408 ? 0.5019 0.4962 0.4773 0.1222 0.0368 0.0717 1086 LEU A CB 8308 C CG . LEU B 408 ? 0.5407 0.5418 0.5137 0.1192 0.0342 0.0698 1086 LEU A CG 8309 C CD1 . LEU B 408 ? 0.5604 0.5727 0.5379 0.1231 0.0278 0.0671 1086 LEU A CD1 8310 C CD2 . LEU B 408 ? 0.5496 0.5441 0.5106 0.1198 0.0356 0.0743 1086 LEU A CD2 8311 N N . GLY B 409 ? 0.4715 0.4477 0.4505 0.1254 0.0443 0.0734 1087 GLY A N 8312 C CA . GLY B 409 ? 0.5127 0.4792 0.4894 0.1311 0.0458 0.0760 1087 GLY A CA 8313 C C . GLY B 409 ? 0.5576 0.5092 0.5289 0.1270 0.0508 0.0774 1087 GLY A C 8314 O O . GLY B 409 ? 0.5807 0.5198 0.5453 0.1304 0.0521 0.0815 1087 GLY A O 8315 N N . GLN B 410 ? 0.5631 0.5151 0.5368 0.1196 0.0534 0.0741 1088 GLN A N 8316 C CA . GLN B 410 ? 0.5314 0.4701 0.5004 0.1147 0.0574 0.0748 1088 GLN A CA 8317 C C . GLN B 410 ? 0.5572 0.4902 0.5188 0.1112 0.0583 0.0794 1088 GLN A C 8318 O O . GLN B 410 ? 0.5856 0.5052 0.5415 0.1103 0.0608 0.0827 1088 GLN A O 8319 C CB . GLN B 410 ? 0.4748 0.4168 0.4486 0.1084 0.0592 0.0697 1088 GLN A CB 8320 C CG . GLN B 410 ? 0.5201 0.4664 0.5004 0.1116 0.0597 0.0656 1088 GLN A CG 8321 C CD . GLN B 410 ? 0.5253 0.4759 0.5093 0.1057 0.0614 0.0609 1088 GLN A CD 8322 O OE1 . GLN B 410 ? 0.5858 0.5419 0.5752 0.1076 0.0622 0.0577 1088 GLN A OE1 8323 N NE2 . GLN B 410 ? 0.4867 0.4352 0.4677 0.0989 0.0620 0.0609 1088 GLN A NE2 8324 N N . VAL B 411 ? 0.4764 0.4192 0.4379 0.1092 0.0565 0.0796 1089 VAL A N 8325 C CA . VAL B 411 ? 0.5111 0.4503 0.4659 0.1059 0.0581 0.0839 1089 VAL A CA 8326 C C . VAL B 411 ? 0.6363 0.5676 0.5830 0.1118 0.0578 0.0901 1089 VAL A C 8327 O O . VAL B 411 ? 0.6245 0.5469 0.5648 0.1092 0.0609 0.0948 1089 VAL A O 8328 C CB . VAL B 411 ? 0.4899 0.4414 0.4460 0.1036 0.0562 0.0821 1089 VAL A CB 8329 C CG1 . VAL B 411 ? 0.4350 0.3845 0.3835 0.1024 0.0578 0.0870 1089 VAL A CG1 8330 C CG2 . VAL B 411 ? 0.4716 0.4278 0.4338 0.0970 0.0573 0.0772 1089 VAL A CG2 8331 N N . ASN B 412 ? 0.6759 0.6105 0.6229 0.1197 0.0543 0.0904 1090 ASN A N 8332 C CA . ASN B 412 ? 0.6332 0.5610 0.5717 0.1264 0.0533 0.0964 1090 ASN A CA 8333 C C . ASN B 412 ? 0.6461 0.5562 0.5789 0.1258 0.0574 0.1010 1090 ASN A C 8334 O O . ASN B 412 ? 0.6728 0.5746 0.5965 0.1290 0.0582 0.1074 1090 ASN A O 8335 C CB . ASN B 412 ? 0.6174 0.5519 0.5594 0.1351 0.0485 0.0951 1090 ASN A CB 8336 C CG . ASN B 412 ? 0.6511 0.5787 0.5838 0.1432 0.0467 0.1014 1090 ASN A CG 8337 O OD1 . ASN B 412 ? 0.6430 0.5742 0.5687 0.1453 0.0446 0.1044 1090 ASN A OD1 8338 N ND2 . ASN B 412 ? 0.6091 0.5262 0.5409 0.1484 0.0476 0.1034 1090 ASN A ND2 8339 N N . LYS B 413 ? 0.6947 0.5980 0.6319 0.1218 0.0600 0.0978 1091 LYS A N 8340 C CA . LYS B 413 ? 0.6901 0.5753 0.6222 0.1208 0.0636 0.1014 1091 LYS A CA 8341 C C . LYS B 413 ? 0.6099 0.4884 0.5363 0.1141 0.0672 0.1063 1091 LYS A C 8342 O O . LYS B 413 ? 0.6010 0.4652 0.5201 0.1152 0.0695 0.1123 1091 LYS A O 8343 C CB . LYS B 413 ? 0.7247 0.6048 0.6624 0.1174 0.0652 0.0958 1091 LYS A CB 8344 C CG . LYS B 413 ? 0.8749 0.7350 0.8076 0.1169 0.0682 0.0982 1091 LYS A CG 8345 C CD . LYS B 413 ? 1.0044 0.8602 0.9416 0.1157 0.0690 0.0918 1091 LYS A CD 8346 C CE . LYS B 413 ? 1.1194 0.9538 1.0508 0.1166 0.0714 0.0936 1091 LYS A CE 8347 N NZ . LYS B 413 ? 1.1920 1.0154 1.1193 0.1078 0.0741 0.0972 1091 LYS A NZ 8348 N N . TYR B 414 ? 0.6023 0.4912 0.5320 0.1074 0.0678 0.1042 1092 TYR A N 8349 C CA . TYR B 414 ? 0.5964 0.4816 0.5228 0.1004 0.0717 0.1084 1092 TYR A CA 8350 C C . TYR B 414 ? 0.5918 0.4865 0.5135 0.1021 0.0714 0.1119 1092 TYR A C 8351 O O . TYR B 414 ? 0.5444 0.4339 0.4605 0.0993 0.0751 0.1178 1092 TYR A O 8352 C CB . TYR B 414 ? 0.5525 0.4415 0.4865 0.0912 0.0732 0.1034 1092 TYR A CB 8353 C CG . TYR B 414 ? 0.6023 0.4816 0.5397 0.0894 0.0735 0.0993 1092 TYR A CG 8354 C CD1 . TYR B 414 ? 0.6019 0.4634 0.5349 0.0885 0.0759 0.1026 1092 TYR A CD1 8355 C CD2 . TYR B 414 ? 0.6336 0.5204 0.5776 0.0887 0.0714 0.0922 1092 TYR A CD2 8356 C CE1 . TYR B 414 ? 0.6318 0.4833 0.5668 0.0874 0.0759 0.0983 1092 TYR A CE1 8357 C CE2 . TYR B 414 ? 0.6519 0.5294 0.5974 0.0877 0.0719 0.0883 1092 TYR A CE2 8358 C CZ . TYR B 414 ? 0.6594 0.5193 0.6004 0.0871 0.0740 0.0910 1092 TYR A CZ 8359 O OH . TYR B 414 ? 0.6542 0.5039 0.5957 0.0865 0.0742 0.0866 1092 TYR A OH 8360 N N . VAL B 415 ? 0.6085 0.5167 0.5322 0.1064 0.0672 0.1084 1093 VAL A N 8361 C CA . VAL B 415 ? 0.6183 0.5348 0.5359 0.1096 0.0659 0.1110 1093 VAL A CA 8362 C C . VAL B 415 ? 0.6372 0.5578 0.5527 0.1190 0.0605 0.1103 1093 VAL A C 8363 O O . VAL B 415 ? 0.6638 0.5943 0.5868 0.1203 0.0565 0.1042 1093 VAL A O 8364 C CB . VAL B 415 ? 0.5801 0.5100 0.5024 0.1048 0.0656 0.1065 1093 VAL A CB 8365 C CG1 . VAL B 415 ? 0.5335 0.4708 0.4482 0.1090 0.0641 0.1087 1093 VAL A CG1 8366 C CG2 . VAL B 415 ? 0.5237 0.4510 0.4496 0.0958 0.0705 0.1070 1093 VAL A CG2 8367 N N . GLU B 416 ? 0.6485 0.5616 0.5543 0.1253 0.0602 0.1165 1094 GLU A N 8368 C CA . GLU B 416 ? 0.6608 0.5769 0.5648 0.1348 0.0545 0.1163 1094 GLU A CA 8369 C C . GLU B 416 ? 0.6605 0.5930 0.5670 0.1368 0.0493 0.1115 1094 GLU A C 8370 O O . GLU B 416 ? 0.7026 0.6404 0.6044 0.1347 0.0499 0.1120 1094 GLU A O 8371 C CB . GLU B 416 ? 0.7336 0.6389 0.6247 0.1414 0.0551 0.1246 1094 GLU A CB 8372 C CG . GLU B 416 ? 0.8492 0.7571 0.7381 0.1520 0.0489 0.1250 1094 GLU A CG 8373 C CD . GLU B 416 ? 0.9945 0.8924 0.8687 0.1590 0.0491 0.1336 1094 GLU A CD 8374 O OE1 . GLU B 416 ? 1.0236 0.9150 0.8889 0.1554 0.0540 0.1391 1094 GLU A OE1 8375 O OE2 . GLU B 416 ? 1.0468 0.9437 0.9185 0.1683 0.0444 0.1351 1094 GLU A OE2 8376 N N . GLN B 417 ? 0.5787 0.5191 0.4930 0.1410 0.0442 0.1067 1095 GLN A N 8377 C CA . GLN B 417 ? 0.5386 0.4940 0.4569 0.1424 0.0386 0.1015 1095 GLN A CA 8378 C C . GLN B 417 ? 0.5645 0.5234 0.4765 0.1518 0.0326 0.1037 1095 GLN A C 8379 O O . GLN B 417 ? 0.5774 0.5281 0.4845 0.1582 0.0321 0.1084 1095 GLN A O 8380 C CB . GLN B 417 ? 0.5657 0.5295 0.4983 0.1396 0.0371 0.0946 1095 GLN A CB 8381 C CG . GLN B 417 ? 0.5804 0.5426 0.5185 0.1305 0.0420 0.0917 1095 GLN A CG 8382 C CD . GLN B 417 ? 0.6157 0.5822 0.5502 0.1255 0.0433 0.0911 1095 GLN A CD 8383 O OE1 . GLN B 417 ? 0.7036 0.6803 0.6393 0.1262 0.0393 0.0876 1095 GLN A OE1 8384 N NE2 . GLN B 417 ? 0.5957 0.5545 0.5260 0.1205 0.0487 0.0944 1095 GLN A NE2 8385 N N . ASN B 418 ? 0.5533 0.5237 0.4648 0.1528 0.0275 0.1001 1096 ASN A N 8386 C CA . ASN B 418 ? 0.5031 0.4787 0.4088 0.1615 0.0205 0.1010 1096 ASN A CA 8387 C C . ASN B 418 ? 0.5322 0.5135 0.4488 0.1664 0.0158 0.0984 1096 ASN A C 8388 O O . ASN B 418 ? 0.5704 0.5629 0.5000 0.1634 0.0132 0.0919 1096 ASN A O 8389 C CB . ASN B 418 ? 0.5313 0.5178 0.4348 0.1604 0.0160 0.0965 1096 ASN A CB 8390 C CG . ASN B 418 ? 0.5514 0.5414 0.4449 0.1692 0.0088 0.0980 1096 ASN A CG 8391 O OD1 . ASN B 418 ? 0.5115 0.5037 0.4077 0.1760 0.0039 0.0988 1096 ASN A OD1 8392 N ND2 . ASN B 418 ? 0.5384 0.5292 0.4200 0.1696 0.0081 0.0984 1096 ASN A ND2 8393 N N . GLN B 419 ? 0.5090 0.4830 0.4204 0.1742 0.0149 0.1036 1097 GLN A N 8394 C CA . GLN B 419 ? 0.5665 0.5455 0.4887 0.1797 0.0113 0.1016 1097 GLN A CA 8395 C C . GLN B 419 ? 0.6103 0.6068 0.5403 0.1829 0.0026 0.0962 1097 GLN A C 8396 O O . GLN B 419 ? 0.6198 0.6263 0.5648 0.1824 0.0006 0.0913 1097 GLN A O 8397 C CB . GLN B 419 ? 0.5740 0.5411 0.4874 0.1885 0.0114 0.1087 1097 GLN A CB 8398 C CG . GLN B 419 ? 0.5756 0.5475 0.4998 0.1955 0.0081 0.1071 1097 GLN A CG 8399 C CD . GLN B 419 ? 0.6229 0.5844 0.5373 0.2062 0.0064 0.1141 1097 GLN A CD 8400 O OE1 . GLN B 419 ? 0.6625 0.6205 0.5631 0.2111 0.0035 0.1189 1097 GLN A OE1 8401 N NE2 . GLN B 419 ? 0.6162 0.5720 0.5368 0.2103 0.0084 0.1147 1097 GLN A NE2 8402 N N . ASN B 420 ? 0.5956 0.5959 0.5155 0.1860 -0.0027 0.0969 1098 ASN A N 8403 C CA . ASN B 420 ? 0.5420 0.5582 0.4686 0.1893 -0.0120 0.0916 1098 ASN A CA 8404 C C . ASN B 420 ? 0.5434 0.5709 0.4837 0.1805 -0.0123 0.0837 1098 ASN A C 8405 O O . ASN B 420 ? 0.5305 0.5714 0.4849 0.1811 -0.0177 0.0787 1098 ASN A O 8406 C CB . ASN B 420 ? 0.5677 0.5837 0.4780 0.1942 -0.0173 0.0937 1098 ASN A CB 8407 C CG . ASN B 420 ? 0.5210 0.5525 0.4370 0.1987 -0.0281 0.0886 1098 ASN A CG 8408 O OD1 . ASN B 420 ? 0.6107 0.6477 0.5321 0.2062 -0.0335 0.0893 1098 ASN A OD1 8409 N ND2 . ASN B 420 ? 0.5161 0.5547 0.4308 0.1943 -0.0318 0.0831 1098 ASN A ND2 8410 N N . SER B 421 ? 0.4806 0.5030 0.4176 0.1724 -0.0066 0.0828 1099 SER A N 8411 C CA . SER B 421 ? 0.5911 0.6221 0.5400 0.1642 -0.0063 0.0760 1099 SER A CA 8412 C C . SER B 421 ? 0.5961 0.6302 0.5610 0.1614 -0.0030 0.0738 1099 SER A C 8413 O O . SER B 421 ? 0.6005 0.6466 0.5790 0.1590 -0.0063 0.0685 1099 SER A O 8414 C CB . SER B 421 ? 0.5457 0.5697 0.4869 0.1572 -0.0004 0.0762 1099 SER A CB 8415 O OG . SER B 421 ? 0.4955 0.5154 0.4207 0.1606 -0.0019 0.0792 1099 SER A OG 8416 N N . ILE B 422 ? 0.5917 0.6145 0.5545 0.1615 0.0037 0.0780 1100 ILE A N 8417 C CA . ILE B 422 ? 0.5708 0.5950 0.5466 0.1599 0.0072 0.0761 1100 ILE A CA 8418 C C . ILE B 422 ? 0.5607 0.5963 0.5474 0.1666 0.0017 0.0745 1100 ILE A C 8419 O O . ILE B 422 ? 0.5540 0.5996 0.5555 0.1641 0.0018 0.0701 1100 ILE A O 8420 C CB . ILE B 422 ? 0.5042 0.5126 0.4737 0.1600 0.0144 0.0809 1100 ILE A CB 8421 C CG1 . ILE B 422 ? 0.4791 0.4784 0.4398 0.1527 0.0197 0.0823 1100 ILE A CG1 8422 C CG2 . ILE B 422 ? 0.4683 0.4774 0.4496 0.1589 0.0182 0.0785 1100 ILE A CG2 8423 C CD1 . ILE B 422 ? 0.4366 0.4426 0.4052 0.1442 0.0213 0.0768 1100 ILE A CD1 8424 N N . CYS B 423 ? 0.5032 0.5379 0.4830 0.1756 -0.0032 0.0782 1101 CYS A N 8425 C CA . CYS B 423 ? 0.5429 0.5900 0.5333 0.1828 -0.0095 0.0768 1101 CYS A CA 8426 C C . CYS B 423 ? 0.5810 0.6457 0.5836 0.1790 -0.0157 0.0703 1101 CYS A C 8427 O O . CYS B 423 ? 0.5919 0.6690 0.6111 0.1790 -0.0170 0.0668 1101 CYS A O 8428 C CB . CYS B 423 ? 0.6346 0.6776 0.6132 0.1932 -0.0147 0.0820 1101 CYS A CB 8429 S SG . CYS B 423 ? 0.6695 0.6924 0.6364 0.2000 -0.0087 0.0902 1101 CYS A SG 8430 N N . ASN B 424 ? 0.5789 0.6447 0.5735 0.1757 -0.0193 0.0685 1102 ASN A N 8431 C CA . ASN B 424 ? 0.5595 0.6403 0.5649 0.1716 -0.0256 0.0620 1102 ASN A CA 8432 C C . ASN B 424 ? 0.5680 0.6534 0.5875 0.1624 -0.0206 0.0576 1102 ASN A C 8433 O O . ASN B 424 ? 0.6143 0.7139 0.6493 0.1600 -0.0244 0.0530 1102 ASN A O 8434 C CB . ASN B 424 ? 0.5414 0.6201 0.5335 0.1700 -0.0299 0.0607 1102 ASN A CB 8435 C CG . ASN B 424 ? 0.6868 0.7664 0.6677 0.1794 -0.0377 0.0632 1102 ASN A CG 8436 O OD1 . ASN B 424 ? 0.7601 0.8527 0.7483 0.1826 -0.0466 0.0597 1102 ASN A OD1 8437 N ND2 . ASN B 424 ? 0.6970 0.7629 0.6601 0.1837 -0.0344 0.0695 1102 ASN A ND2 8438 N N . SER B 425 ? 0.4667 0.5406 0.4815 0.1572 -0.0121 0.0592 1103 SER A N 8439 C CA . SER B 425 ? 0.4711 0.5483 0.4975 0.1490 -0.0072 0.0556 1103 SER A CA 8440 C C . SER B 425 ? 0.5585 0.6425 0.5995 0.1514 -0.0048 0.0553 1103 SER A C 8441 O O . SER B 425 ? 0.5633 0.6594 0.6194 0.1476 -0.0054 0.0513 1103 SER A O 8442 C CB . SER B 425 ? 0.4454 0.5088 0.4623 0.1436 0.0006 0.0575 1103 SER A CB 8443 O OG . SER B 425 ? 0.4798 0.5380 0.4839 0.1420 -0.0011 0.0579 1103 SER A OG 8444 N N . LEU B 426 ? 0.5730 0.6490 0.6095 0.1579 -0.0016 0.0596 1104 LEU A N 8445 C CA . LEU B 426 ? 0.4977 0.5794 0.5466 0.1618 0.0008 0.0594 1104 LEU A CA 8446 C C . LEU B 426 ? 0.5768 0.6772 0.6403 0.1658 -0.0064 0.0567 1104 LEU A C 8447 O O . LEU B 426 ? 0.6448 0.7571 0.7245 0.1636 -0.0049 0.0537 1104 LEU A O 8448 C CB . LEU B 426 ? 0.4277 0.4963 0.4673 0.1695 0.0040 0.0645 1104 LEU A CB 8449 C CG . LEU B 426 ? 0.4977 0.5486 0.5259 0.1649 0.0117 0.0668 1104 LEU A CG 8450 C CD1 . LEU B 426 ? 0.5159 0.5520 0.5311 0.1720 0.0127 0.0726 1104 LEU A CD1 8451 C CD2 . LEU B 426 ? 0.4331 0.4838 0.4702 0.1610 0.0186 0.0642 1104 LEU A CD2 8452 N N . LEU B 427 ? 0.5473 0.6510 0.6053 0.1716 -0.0145 0.0578 1105 LEU A N 8453 C CA . LEU B 427 ? 0.5131 0.6353 0.5850 0.1756 -0.0226 0.0551 1105 LEU A CA 8454 C C . LEU B 427 ? 0.4923 0.6274 0.5765 0.1666 -0.0255 0.0493 1105 LEU A C 8455 O O . LEU B 427 ? 0.5329 0.6848 0.6353 0.1667 -0.0286 0.0463 1105 LEU A O 8456 C CB . LEU B 427 ? 0.5053 0.6269 0.5660 0.1839 -0.0312 0.0576 1105 LEU A CB 8457 C CG . LEU B 427 ? 0.5240 0.6354 0.5753 0.1945 -0.0298 0.0637 1105 LEU A CG 8458 C CD1 . LEU B 427 ? 0.5650 0.6729 0.6014 0.2020 -0.0375 0.0669 1105 LEU A CD1 8459 C CD2 . LEU B 427 ? 0.5244 0.6472 0.5923 0.2010 -0.0298 0.0634 1105 LEU A CD2 8460 N N . TRP B 428 ? 0.4563 0.5839 0.5317 0.1588 -0.0243 0.0476 1106 TRP A N 8461 C CA . TRP B 428 ? 0.5049 0.6421 0.5915 0.1498 -0.0261 0.0422 1106 TRP A CA 8462 C C . TRP B 428 ? 0.5940 0.7365 0.6959 0.1448 -0.0187 0.0410 1106 TRP A C 8463 O O . TRP B 428 ? 0.6138 0.7702 0.7320 0.1401 -0.0208 0.0373 1106 TRP A O 8464 C CB . TRP B 428 ? 0.4879 0.6142 0.5610 0.1433 -0.0253 0.0410 1106 TRP A CB 8465 C CG . TRP B 428 ? 0.4887 0.6222 0.5719 0.1340 -0.0268 0.0357 1106 TRP A CG 8466 C CD1 . TRP B 428 ? 0.4826 0.6248 0.5697 0.1318 -0.0355 0.0311 1106 TRP A CD1 8467 C CD2 . TRP B 428 ? 0.5095 0.6408 0.5992 0.1257 -0.0194 0.0344 1106 TRP A CD2 8468 N NE1 . TRP B 428 ? 0.4821 0.6270 0.5782 0.1223 -0.0338 0.0272 1106 TRP A NE1 8469 C CE2 . TRP B 428 ? 0.4851 0.6236 0.5828 0.1187 -0.0239 0.0294 1106 TRP A CE2 8470 C CE3 . TRP B 428 ? 0.5415 0.6649 0.6304 0.1236 -0.0098 0.0369 1106 TRP A CE3 8471 C CZ2 . TRP B 428 ? 0.4471 0.5846 0.5516 0.1099 -0.0187 0.0275 1106 TRP A CZ2 8472 C CZ3 . TRP B 428 ? 0.5223 0.6457 0.6177 0.1152 -0.0050 0.0347 1106 TRP A CZ3 8473 C CH2 . TRP B 428 ? 0.4524 0.5827 0.5555 0.1086 -0.0092 0.0304 1106 TRP A CH2 8474 N N . LEU B 429 ? 0.5880 0.7191 0.6843 0.1455 -0.0099 0.0442 1107 LEU A N 8475 C CA . LEU B 429 ? 0.5628 0.6984 0.6718 0.1421 -0.0026 0.0433 1107 LEU A CA 8476 C C . LEU B 429 ? 0.5954 0.7466 0.7212 0.1484 -0.0043 0.0431 1107 LEU A C 8477 O O . LEU B 429 ? 0.6510 0.8170 0.7940 0.1443 -0.0043 0.0401 1107 LEU A O 8478 C CB . LEU B 429 ? 0.5159 0.6352 0.6138 0.1423 0.0063 0.0463 1107 LEU A CB 8479 C CG . LEU B 429 ? 0.4394 0.5471 0.5272 0.1339 0.0103 0.0457 1107 LEU A CG 8480 C CD1 . LEU B 429 ? 0.4629 0.5563 0.5418 0.1342 0.0183 0.0482 1107 LEU A CD1 8481 C CD2 . LEU B 429 ? 0.4322 0.5491 0.5320 0.1255 0.0114 0.0419 1107 LEU A CD2 8482 N N . VAL B 430 ? 0.5276 0.6759 0.6488 0.1585 -0.0054 0.0464 1108 VAL A N 8483 C CA . VAL B 430 ? 0.5732 0.7348 0.7099 0.1654 -0.0051 0.0465 1108 VAL A CA 8484 C C . VAL B 430 ? 0.6202 0.8021 0.7715 0.1676 -0.0148 0.0440 1108 VAL A C 8485 O O . VAL B 430 ? 0.6180 0.8158 0.7873 0.1710 -0.0146 0.0431 1108 VAL A O 8486 C CB . VAL B 430 ? 0.5644 0.7151 0.6914 0.1761 -0.0030 0.0509 1108 VAL A CB 8487 C CG1 . VAL B 430 ? 0.5536 0.6838 0.6660 0.1733 0.0058 0.0530 1108 VAL A CG1 8488 C CG2 . VAL B 430 ? 0.6008 0.7483 0.7168 0.1832 -0.0115 0.0534 1108 VAL A CG2 8489 N N . GLU B 431 ? 0.6314 0.8136 0.7759 0.1659 -0.0233 0.0427 1109 GLU A N 8490 C CA . GLU B 431 ? 0.5947 0.7955 0.7518 0.1685 -0.0338 0.0400 1109 GLU A CA 8491 C C . GLU B 431 ? 0.5490 0.7642 0.7232 0.1582 -0.0358 0.0348 1109 GLU A C 8492 O O . GLU B 431 ? 0.5379 0.7722 0.7289 0.1594 -0.0429 0.0322 1109 GLU A O 8493 C CB . GLU B 431 ? 0.6028 0.7969 0.7432 0.1726 -0.0429 0.0407 1109 GLU A CB 8494 C CG . GLU B 431 ? 0.6626 0.8485 0.7908 0.1850 -0.0442 0.0459 1109 GLU A CG 8495 C CD . GLU B 431 ? 0.7207 0.9013 0.8322 0.1892 -0.0533 0.0468 1109 GLU A CD 8496 O OE1 . GLU B 431 ? 0.7116 0.8943 0.8194 0.2000 -0.0588 0.0498 1109 GLU A OE1 8497 O OE2 . GLU B 431 ? 0.7043 0.8786 0.8060 0.1822 -0.0548 0.0447 1109 GLU A OE2 8498 N N . ASN B 432 ? 0.5980 0.8048 0.7688 0.1482 -0.0298 0.0335 1110 ASN A N 8499 C CA . ASN B 432 ? 0.6327 0.8497 0.8167 0.1377 -0.0320 0.0288 1110 ASN A CA 8500 C C . ASN B 432 ? 0.6396 0.8588 0.8350 0.1304 -0.0219 0.0287 1110 ASN A C 8501 O O . ASN B 432 ? 0.6796 0.9146 0.8946 0.1250 -0.0227 0.0260 1110 ASN A O 8502 C CB . ASN B 432 ? 0.6661 0.8710 0.8346 0.1318 -0.0359 0.0267 1110 ASN A CB 8503 C CG . ASN B 432 ? 0.6721 0.8731 0.8263 0.1389 -0.0450 0.0271 1110 ASN A CG 8504 O OD1 . ASN B 432 ? 0.6956 0.9080 0.8560 0.1395 -0.0551 0.0237 1110 ASN A OD1 8505 N ND2 . ASN B 432 ? 0.6570 0.8416 0.7916 0.1444 -0.0415 0.0314 1110 ASN A ND2 8506 N N . TYR B 433 ? 0.6156 0.8194 0.7992 0.1300 -0.0124 0.0315 1111 TYR A N 8507 C CA . TYR B 433 ? 0.6041 0.8071 0.7943 0.1223 -0.0031 0.0312 1111 TYR A CA 8508 C C . TYR B 433 ? 0.5978 0.8007 0.7915 0.1278 0.0060 0.0341 1111 TYR A C 8509 O O . TYR B 433 ? 0.6219 0.8155 0.8106 0.1239 0.0148 0.0350 1111 TYR A O 8510 C CB . TYR B 433 ? 0.5889 0.7742 0.7628 0.1154 0.0001 0.0312 1111 TYR A CB 8511 C CG . TYR B 433 ? 0.6130 0.7979 0.7835 0.1100 -0.0082 0.0279 1111 TYR A CG 8512 C CD1 . TYR B 433 ? 0.6478 0.8414 0.8314 0.1011 -0.0099 0.0245 1111 TYR A CD1 8513 C CD2 . TYR B 433 ? 0.6382 0.8136 0.7922 0.1141 -0.0142 0.0282 1111 TYR A CD2 8514 C CE1 . TYR B 433 ? 0.6761 0.8681 0.8559 0.0964 -0.0178 0.0209 1111 TYR A CE1 8515 C CE2 . TYR B 433 ? 0.6518 0.8266 0.8016 0.1099 -0.0217 0.0247 1111 TYR A CE2 8516 C CZ . TYR B 433 ? 0.6865 0.8691 0.8491 0.1012 -0.0237 0.0208 1111 TYR A CZ 8517 O OH . TYR B 433 ? 0.7346 0.9151 0.8923 0.0972 -0.0314 0.0168 1111 TYR A OH 8518 N N . GLN B 434 ? 0.5516 0.7645 0.7532 0.1372 0.0038 0.0352 1112 GLN A N 8519 C CA . GLN B 434 ? 0.5099 0.7261 0.7183 0.1428 0.0121 0.0371 1112 GLN A CA 8520 C C . GLN B 434 ? 0.5532 0.7941 0.7869 0.1437 0.0105 0.0355 1112 GLN A C 8521 O O . GLN B 434 ? 0.5648 0.8187 0.8072 0.1482 0.0015 0.0345 1112 GLN A O 8522 C CB . GLN B 434 ? 0.5059 0.7113 0.7016 0.1543 0.0122 0.0402 1112 GLN A CB 8523 C CG . GLN B 434 ? 0.5398 0.7449 0.7396 0.1600 0.0215 0.0416 1112 GLN A CG 8524 C CD . GLN B 434 ? 0.5602 0.7524 0.7469 0.1712 0.0217 0.0446 1112 GLN A CD 8525 O OE1 . GLN B 434 ? 0.6559 0.8467 0.8370 0.1772 0.0139 0.0460 1112 GLN A OE1 8526 N NE2 . GLN B 434 ? 0.4600 0.6420 0.6413 0.1743 0.0308 0.0456 1112 GLN A NE2 8527 N N . LEU B 435 ? 0.6011 0.8490 0.8466 0.1395 0.0194 0.0353 1113 LEU A N 8528 C CA . LEU B 435 ? 0.5839 0.8564 0.8551 0.1390 0.0196 0.0341 1113 LEU A CA 8529 C C . LEU B 435 ? 0.6460 0.9274 0.9247 0.1517 0.0217 0.0357 1113 LEU A C 8530 O O . LEU B 435 ? 0.6688 0.9355 0.9319 0.1603 0.0238 0.0379 1113 LEU A O 8531 C CB . LEU B 435 ? 0.5210 0.7970 0.8010 0.1294 0.0291 0.0338 1113 LEU A CB 8532 C CG . LEU B 435 ? 0.4234 0.6874 0.6939 0.1175 0.0284 0.0326 1113 LEU A CG 8533 C CD1 . LEU B 435 ? 0.4061 0.6718 0.6834 0.1093 0.0388 0.0332 1113 LEU A CD1 8534 C CD2 . LEU B 435 ? 0.3436 0.6168 0.6223 0.1120 0.0170 0.0296 1113 LEU A CD2 8535 N N . ASP B 436 ? 0.6799 0.9858 0.9833 0.1528 0.0210 0.0347 1114 ASP A N 8536 C CA . ASP B 436 ? 0.7386 1.0557 1.0515 0.1656 0.0223 0.0361 1114 ASP A CA 8537 C C . ASP B 436 ? 0.7285 1.0347 1.0334 0.1705 0.0349 0.0380 1114 ASP A C 8538 O O . ASP B 436 ? 0.7533 1.0543 1.0522 0.1825 0.0361 0.0396 1114 ASP A O 8539 C CB . ASP B 436 ? 0.8706 1.2183 1.2138 0.1648 0.0198 0.0345 1114 ASP A CB 8540 C CG . ASP B 436 ? 1.0048 1.3643 1.3563 0.1615 0.0059 0.0320 1114 ASP A CG 8541 O OD1 . ASP B 436 ? 1.0681 1.4157 1.4033 0.1663 -0.0029 0.0321 1114 ASP A OD1 8542 O OD2 . ASP B 436 ? 1.0684 1.4487 1.4426 0.1540 0.0037 0.0298 1114 ASP A OD2 8543 N N . ASN B 437 ? 0.6836 0.9851 0.9873 0.1616 0.0443 0.0379 1115 ASN A N 8544 C CA . ASN B 437 ? 0.6500 0.9413 0.9456 0.1658 0.0563 0.0392 1115 ASN A CA 8545 C C . ASN B 437 ? 0.6753 0.9381 0.9431 0.1689 0.0573 0.0403 1115 ASN A C 8546 O O . ASN B 437 ? 0.7406 0.9924 0.9992 0.1727 0.0663 0.0409 1115 ASN A O 8547 C CB . ASN B 437 ? 0.6476 0.9432 0.9501 0.1554 0.0658 0.0389 1115 ASN A CB 8548 C CG . ASN B 437 ? 0.6900 0.9741 0.9827 0.1426 0.0631 0.0383 1115 ASN A CG 8549 O OD1 . ASN B 437 ? 0.7337 1.0035 1.0110 0.1417 0.0556 0.0380 1115 ASN A OD1 8550 N ND2 . ASN B 437 ? 0.6711 0.9611 0.9722 0.1328 0.0697 0.0383 1115 ASN A ND2 8551 N N . GLY B 438 ? 0.6267 0.8777 0.8811 0.1672 0.0485 0.0404 1116 GLY A N 8552 C CA . GLY B 438 ? 0.6283 0.8535 0.8579 0.1695 0.0491 0.0417 1116 GLY A CA 8553 C C . GLY B 438 ? 0.6155 0.8253 0.8309 0.1584 0.0510 0.0413 1116 GLY A C 8554 O O . GLY B 438 ? 0.6326 0.8228 0.8286 0.1589 0.0494 0.0423 1116 GLY A O 8555 N N . SER B 439 ? 0.5680 0.7861 0.7929 0.1486 0.0545 0.0400 1117 SER A N 8556 C CA . SER B 439 ? 0.5731 0.7771 0.7852 0.1385 0.0563 0.0397 1117 SER A CA 8557 C C . SER B 439 ? 0.5598 0.7607 0.7666 0.1338 0.0462 0.0389 1117 SER A C 8558 O O . SER B 439 ? 0.5684 0.7809 0.7842 0.1367 0.0379 0.0383 1117 SER A O 8559 C CB . SER B 439 ? 0.5882 0.8016 0.8118 0.1299 0.0632 0.0391 1117 SER A CB 8560 O OG . SER B 439 ? 0.5834 0.8174 0.8276 0.1258 0.0584 0.0380 1117 SER A OG 8561 N N . PHE B 440 ? 0.5375 0.7226 0.7293 0.1269 0.0470 0.0389 1118 PHE A N 8562 C CA . PHE B 440 ? 0.5423 0.7230 0.7276 0.1217 0.0388 0.0379 1118 PHE A CA 8563 C C . PHE B 440 ? 0.5716 0.7560 0.7632 0.1105 0.0400 0.0363 1118 PHE A C 8564 O O . PHE B 440 ? 0.5864 0.7682 0.7785 0.1062 0.0482 0.0368 1118 PHE A O 8565 C CB . PHE B 440 ? 0.5278 0.6874 0.6908 0.1230 0.0383 0.0392 1118 PHE A CB 8566 C CG . PHE B 440 ? 0.5545 0.7089 0.7099 0.1331 0.0349 0.0411 1118 PHE A CG 8567 C CD1 . PHE B 440 ? 0.5091 0.6658 0.6622 0.1362 0.0257 0.0412 1118 PHE A CD1 8568 C CD2 . PHE B 440 ? 0.5464 0.6926 0.6962 0.1398 0.0409 0.0428 1118 PHE A CD2 8569 C CE1 . PHE B 440 ? 0.5014 0.6524 0.6467 0.1457 0.0228 0.0436 1118 PHE A CE1 8570 C CE2 . PHE B 440 ? 0.5080 0.6479 0.6505 0.1491 0.0380 0.0448 1118 PHE A CE2 8571 C CZ . PHE B 440 ? 0.4856 0.6279 0.6259 0.1521 0.0291 0.0456 1118 PHE A CZ 8572 N N . LYS B 441 ? 0.5862 0.7759 0.7819 0.1061 0.0317 0.0343 1119 LYS A N 8573 C CA . LYS B 441 ? 0.5964 0.7879 0.7972 0.0955 0.0316 0.0326 1119 LYS A CA 8574 C C . LYS B 441 ? 0.6175 0.7946 0.8021 0.0919 0.0264 0.0316 1119 LYS A C 8575 O O . LYS B 441 ? 0.5817 0.7530 0.7556 0.0973 0.0206 0.0317 1119 LYS A O 8576 C CB . LYS B 441 ? 0.6466 0.8584 0.8693 0.0921 0.0265 0.0304 1119 LYS A CB 8577 C CG . LYS B 441 ? 0.7482 0.9642 0.9710 0.0935 0.0144 0.0279 1119 LYS A CG 8578 C CD . LYS B 441 ? 0.8344 1.0691 1.0790 0.0875 0.0093 0.0250 1119 LYS A CD 8579 C CE . LYS B 441 ? 0.8911 1.1290 1.1343 0.0884 -0.0035 0.0217 1119 LYS A CE 8580 N NZ . LYS B 441 ? 0.8974 1.1529 1.1619 0.0815 -0.0094 0.0182 1119 LYS A NZ 8581 N N . GLU B 442 ? 0.6738 0.8450 0.8563 0.0832 0.0289 0.0308 1120 GLU A N 8582 C CA . GLU B 442 ? 0.6846 0.8423 0.8522 0.0797 0.0250 0.0297 1120 GLU A CA 8583 C C . GLU B 442 ? 0.7196 0.8843 0.8945 0.0751 0.0161 0.0262 1120 GLU A C 8584 O O . GLU B 442 ? 0.7259 0.9024 0.9174 0.0696 0.0156 0.0247 1120 GLU A O 8585 C CB . GLU B 442 ? 0.6632 0.8091 0.8229 0.0735 0.0322 0.0308 1120 GLU A CB 8586 C CG . GLU B 442 ? 0.6504 0.7827 0.7954 0.0701 0.0287 0.0296 1120 GLU A CG 8587 C CD . GLU B 442 ? 0.6803 0.8035 0.8100 0.0766 0.0256 0.0304 1120 GLU A CD 8588 O OE1 . GLU B 442 ? 0.6555 0.7682 0.7738 0.0788 0.0308 0.0326 1120 GLU A OE1 8589 O OE2 . GLU B 442 ? 0.7744 0.9010 0.9033 0.0794 0.0179 0.0289 1120 GLU A OE2 8590 N N . ASN B 443 ? 0.7816 0.9389 0.9440 0.0774 0.0091 0.0249 1121 ASN A N 8591 C CA . ASN B 443 ? 0.8336 0.9954 1.0000 0.0737 0.0000 0.0209 1121 ASN A CA 8592 C C . ASN B 443 ? 0.7479 0.9003 0.9100 0.0650 0.0010 0.0191 1121 ASN A C 8593 O O . ASN B 443 ? 0.7471 0.9060 0.9208 0.0584 -0.0025 0.0161 1121 ASN A O 8594 C CB . ASN B 443 ? 0.9266 1.0844 1.0801 0.0806 -0.0077 0.0202 1121 ASN A CB 8595 C CG . ASN B 443 ? 0.9698 1.1310 1.1248 0.0775 -0.0177 0.0155 1121 ASN A CG 8596 O OD1 . ASN B 443 ? 0.9857 1.1613 1.1552 0.0772 -0.0240 0.0130 1121 ASN A OD1 8597 N ND2 . ASN B 443 ? 0.9729 1.1210 1.1128 0.0754 -0.0195 0.0140 1121 ASN A ND2 8598 N N . SER B 444 ? 0.6763 0.8134 0.8222 0.0650 0.0056 0.0208 1122 SER A N 8599 C CA . SER B 444 ? 0.6904 0.8169 0.8298 0.0583 0.0061 0.0193 1122 SER A CA 8600 C C . SER B 444 ? 0.6844 0.8106 0.8315 0.0520 0.0142 0.0211 1122 SER A C 8601 O O . SER B 444 ? 0.7109 0.8447 0.8672 0.0530 0.0199 0.0235 1122 SER A O 8602 C CB . SER B 444 ? 0.7336 0.8451 0.8530 0.0616 0.0073 0.0205 1122 SER A CB 8603 O OG . SER B 444 ? 0.7281 0.8339 0.8420 0.0635 0.0155 0.0243 1122 SER A OG 8604 N N . GLN B 445 ? 0.6902 0.8070 0.8328 0.0457 0.0147 0.0200 1123 GLN A N 8605 C CA . GLN B 445 ? 0.6968 0.8103 0.8432 0.0398 0.0224 0.0222 1123 GLN A CA 8606 C C . GLN B 445 ? 0.6929 0.7941 0.8245 0.0422 0.0293 0.0254 1123 GLN A C 8607 O O . GLN B 445 ? 0.7975 0.8923 0.9274 0.0377 0.0348 0.0271 1123 GLN A O 8608 C CB . GLN B 445 ? 0.7387 0.8475 0.8880 0.0318 0.0194 0.0196 1123 GLN A CB 8609 C CG . GLN B 445 ? 0.8283 0.9499 0.9954 0.0272 0.0137 0.0165 1123 GLN A CG 8610 C CD . GLN B 445 ? 0.9814 1.0959 1.1502 0.0190 0.0105 0.0137 1123 GLN A CD 8611 O OE1 . GLN B 445 ? 1.0436 1.1430 1.1985 0.0181 0.0114 0.0136 1123 GLN A OE1 8612 N NE2 . GLN B 445 ? 1.0149 1.1401 1.2011 0.0129 0.0066 0.0113 1123 GLN A NE2 8613 N N . TYR B 446 ? 0.6628 0.7604 0.7836 0.0491 0.0288 0.0263 1124 TYR A N 8614 C CA . TYR B 446 ? 0.6286 0.7149 0.7358 0.0510 0.0344 0.0289 1124 TYR A CA 8615 C C . TYR B 446 ? 0.5882 0.6776 0.6998 0.0517 0.0424 0.0318 1124 TYR A C 8616 O O . TYR B 446 ? 0.6215 0.7198 0.7404 0.0557 0.0433 0.0324 1124 TYR A O 8617 C CB . TYR B 446 ? 0.5798 0.6613 0.6751 0.0574 0.0315 0.0291 1124 TYR A CB 8618 C CG . TYR B 446 ? 0.5251 0.5961 0.6078 0.0590 0.0368 0.0315 1124 TYR A CG 8619 C CD1 . TYR B 446 ? 0.4898 0.5509 0.5632 0.0562 0.0374 0.0313 1124 TYR A CD1 8620 C CD2 . TYR B 446 ? 0.4941 0.5650 0.5744 0.0635 0.0408 0.0337 1124 TYR A CD2 8621 C CE1 . TYR B 446 ? 0.4616 0.5144 0.5246 0.0575 0.0415 0.0332 1124 TYR A CE1 8622 C CE2 . TYR B 446 ? 0.4779 0.5391 0.5472 0.0643 0.0449 0.0354 1124 TYR A CE2 8623 C CZ . TYR B 446 ? 0.4662 0.5191 0.5273 0.0612 0.0451 0.0351 1124 TYR A CZ 8624 O OH . TYR B 446 ? 0.4721 0.5168 0.5233 0.0619 0.0485 0.0366 1124 TYR A OH 8625 N N . GLN B 447 ? 0.5752 0.6571 0.6818 0.0483 0.0482 0.0335 1125 GLN A N 8626 C CA . GLN B 447 ? 0.6575 0.7408 0.7659 0.0489 0.0562 0.0361 1125 GLN A CA 8627 C C . GLN B 447 ? 0.5864 0.6585 0.6794 0.0522 0.0593 0.0375 1125 GLN A C 8628 O O . GLN B 447 ? 0.5663 0.6291 0.6507 0.0493 0.0611 0.0383 1125 GLN A O 8629 C CB . GLN B 447 ? 0.7193 0.8034 0.8343 0.0423 0.0608 0.0374 1125 GLN A CB 8630 C CG . GLN B 447 ? 0.7749 0.8697 0.9060 0.0375 0.0576 0.0359 1125 GLN A CG 8631 C CD . GLN B 447 ? 0.8373 0.9310 0.9742 0.0302 0.0624 0.0376 1125 GLN A CD 8632 O OE1 . GLN B 447 ? 0.8188 0.9103 0.9531 0.0298 0.0702 0.0407 1125 GLN A OE1 8633 N NE2 . GLN B 447 ? 0.8861 0.9803 1.0299 0.0243 0.0576 0.0358 1125 GLN A NE2 8634 N N . PRO B 448 ? 0.5433 0.6155 0.6326 0.0581 0.0597 0.0378 1126 PRO A N 8635 C CA . PRO B 448 ? 0.5340 0.5954 0.6094 0.0604 0.0621 0.0388 1126 PRO A CA 8636 C C . PRO B 448 ? 0.5556 0.6133 0.6275 0.0592 0.0693 0.0403 1126 PRO A C 8637 O O . PRO B 448 ? 0.6256 0.6737 0.6860 0.0588 0.0706 0.0408 1126 PRO A O 8638 C CB . PRO B 448 ? 0.5174 0.5801 0.5914 0.0666 0.0606 0.0388 1126 PRO A CB 8639 C CG . PRO B 448 ? 0.4788 0.5540 0.5667 0.0684 0.0603 0.0384 1126 PRO A CG 8640 C CD . PRO B 448 ? 0.5009 0.5824 0.5981 0.0629 0.0573 0.0373 1126 PRO A CD 8641 N N . ILE B 449 ? 0.5203 0.5857 0.6017 0.0588 0.0741 0.0411 1127 ILE A N 8642 C CA . ILE B 449 ? 0.5625 0.6246 0.6394 0.0588 0.0815 0.0425 1127 ILE A CA 8643 C C . ILE B 449 ? 0.5349 0.6046 0.6224 0.0546 0.0861 0.0439 1127 ILE A C 8644 O O . ILE B 449 ? 0.5208 0.6016 0.6225 0.0531 0.0844 0.0435 1127 ILE A O 8645 C CB . ILE B 449 ? 0.6044 0.6667 0.6789 0.0651 0.0846 0.0423 1127 ILE A CB 8646 C CG1 . ILE B 449 ? 0.6657 0.7391 0.7524 0.0689 0.0823 0.0415 1127 ILE A CG1 8647 C CG2 . ILE B 449 ? 0.6150 0.6660 0.6756 0.0677 0.0824 0.0416 1127 ILE A CG2 8648 C CD1 . ILE B 449 ? 0.7017 0.7877 0.8024 0.0687 0.0871 0.0422 1127 ILE A CD1 8649 N N . LYS B 450 ? 0.5394 0.6033 0.6201 0.0525 0.0919 0.0458 1128 LYS A N 8650 C CA . LYS B 450 ? 0.5626 0.6322 0.6513 0.0486 0.0980 0.0480 1128 LYS A CA 8651 C C . LYS B 450 ? 0.5917 0.6645 0.6795 0.0528 0.1058 0.0489 1128 LYS A C 8652 O O . LYS B 450 ? 0.6505 0.7140 0.7243 0.0559 0.1083 0.0488 1128 LYS A O 8653 C CB . LYS B 450 ? 0.5641 0.6241 0.6445 0.0435 0.0994 0.0499 1128 LYS A CB 8654 C CG . LYS B 450 ? 0.6037 0.6677 0.6905 0.0391 0.1067 0.0531 1128 LYS A CG 8655 C CD . LYS B 450 ? 0.5694 0.6454 0.6751 0.0345 0.1052 0.0530 1128 LYS A CD 8656 C CE . LYS B 450 ? 0.5391 0.6183 0.6516 0.0290 0.1128 0.0567 1128 LYS A CE 8657 N NZ . LYS B 450 ? 0.5293 0.6205 0.6615 0.0234 0.1110 0.0564 1128 LYS A NZ 8658 N N . LEU B 451 ? 0.5885 0.6746 0.6913 0.0532 0.1096 0.0495 1129 LEU A N 8659 C CA . LEU B 451 ? 0.6454 0.7360 0.7485 0.0580 0.1175 0.0501 1129 LEU A CA 8660 C C . LEU B 451 ? 0.7142 0.8111 0.8244 0.0537 0.1258 0.0533 1129 LEU A C 8661 O O . LEU B 451 ? 0.7370 0.8373 0.8560 0.0468 0.1249 0.0549 1129 LEU A O 8662 C CB . LEU B 451 ? 0.5881 0.6899 0.7027 0.0638 0.1159 0.0483 1129 LEU A CB 8663 C CG . LEU B 451 ? 0.5551 0.6497 0.6613 0.0689 0.1090 0.0458 1129 LEU A CG 8664 C CD1 . LEU B 451 ? 0.5197 0.6249 0.6369 0.0751 0.1076 0.0446 1129 LEU A CD1 8665 C CD2 . LEU B 451 ? 0.5823 0.6623 0.6698 0.0721 0.1114 0.0452 1129 LEU A CD2 8666 N N . GLN B 452 ? 0.7200 0.8178 0.8258 0.0579 0.1342 0.0542 1130 GLN A N 8667 C CA . GLN B 452 ? 0.7269 0.8299 0.8370 0.0547 0.1437 0.0578 1130 GLN A CA 8668 C C . GLN B 452 ? 0.7371 0.8594 0.8697 0.0542 0.1471 0.0585 1130 GLN A C 8669 O O . GLN B 452 ? 0.7017 0.8334 0.8465 0.0566 0.1414 0.0561 1130 GLN A O 8670 C CB . GLN B 452 ? 0.7884 0.8838 0.8826 0.0599 0.1514 0.0583 1130 GLN A CB 8671 C CG . GLN B 452 ? 0.8499 0.9276 0.9226 0.0594 0.1494 0.0583 1130 GLN A CG 8672 C CD . GLN B 452 ? 0.9105 0.9811 0.9672 0.0654 0.1559 0.0577 1130 GLN A CD 8673 O OE1 . GLN B 452 ? 0.8735 0.9484 0.9318 0.0719 0.1586 0.0554 1130 GLN A OE1 8674 N NE2 . GLN B 452 ? 0.9817 1.0408 1.0223 0.0636 0.1582 0.0595 1130 GLN A NE2 8675 N N . GLY B 453 ? 0.7894 0.9183 0.9278 0.0513 0.1566 0.0621 1131 GLY A N 8676 C CA . GLY B 453 ? 0.8437 0.9924 1.0043 0.0506 0.1614 0.0633 1131 GLY A CA 8677 C C . GLY B 453 ? 0.8925 1.0494 1.0704 0.0408 0.1585 0.0650 1131 GLY A C 8678 O O . GLY B 453 ? 0.9061 1.0534 1.0796 0.0353 0.1513 0.0646 1131 GLY A O 8679 N N . THR B 454 ? 0.9480 1.1233 1.1466 0.0387 0.1644 0.0669 1132 THR A N 8680 C CA . THR B 454 ? 1.0348 1.2207 1.2536 0.0294 0.1612 0.0679 1132 THR A CA 8681 C C . THR B 454 ? 1.1520 1.3429 1.3799 0.0302 0.1485 0.0633 1132 THR A C 8682 O O . THR B 454 ? 1.2993 1.4877 1.5201 0.0384 0.1435 0.0600 1132 THR A O 8683 C CB . THR B 454 ? 1.0084 1.2147 1.2486 0.0273 0.1707 0.0708 1132 THR A CB 8684 O OG1 . THR B 454 ? 0.9790 1.2006 1.2304 0.0359 0.1704 0.0681 1132 THR A OG1 8685 C CG2 . THR B 454 ? 1.0395 1.2405 1.2686 0.0275 0.1839 0.0756 1132 THR A CG2 8686 N N . LEU B 455 ? 1.1168 1.3142 1.3602 0.0216 0.1432 0.0630 1133 LEU A N 8687 C CA . LEU B 455 ? 1.0745 1.2770 1.3264 0.0219 0.1308 0.0586 1133 LEU A CA 8688 C C . LEU B 455 ? 1.0508 1.2686 1.3131 0.0309 0.1288 0.0561 1133 LEU A C 8689 O O . LEU B 455 ? 1.1422 1.3549 1.3968 0.0366 0.1202 0.0528 1133 LEU A O 8690 C CB . LEU B 455 ? 1.0900 1.3002 1.3600 0.0110 0.1266 0.0586 1133 LEU A CB 8691 C CG . LEU B 455 ? 1.0999 1.2923 1.3585 0.0038 0.1205 0.0580 1133 LEU A CG 8692 C CD1 . LEU B 455 ? 1.0831 1.2588 1.3244 0.0013 0.1288 0.0623 1133 LEU A CD1 8693 C CD2 . LEU B 455 ? 1.1135 1.3147 1.3920 -0.0064 0.1154 0.0569 1133 LEU A CD2 8694 N N . PRO B 456 ? 0.9606 1.1966 1.2396 0.0330 0.1366 0.0578 1134 PRO A N 8695 C CA . PRO B 456 ? 0.9212 1.1695 1.2072 0.0434 0.1348 0.0555 1134 PRO A CA 8696 C C . PRO B 456 ? 0.8560 1.0900 1.1199 0.0536 0.1372 0.0547 1134 PRO A C 8697 O O . PRO B 456 ? 0.8402 1.0728 1.1003 0.0612 0.1303 0.0518 1134 PRO A O 8698 C CB . PRO B 456 ? 0.9319 1.2023 1.2402 0.0429 0.1444 0.0580 1134 PRO A CB 8699 C CG . PRO B 456 ? 0.9349 1.2080 1.2537 0.0301 0.1471 0.0608 1134 PRO A CG 8700 C CD . PRO B 456 ? 0.9356 1.1837 1.2303 0.0260 0.1465 0.0618 1134 PRO A CD 8701 N N . VAL B 457 ? 0.8187 1.0412 1.0673 0.0539 0.1467 0.0573 1135 VAL A N 8702 C CA . VAL B 457 ? 0.7975 1.0061 1.0252 0.0631 0.1489 0.0561 1135 VAL A CA 8703 C C . VAL B 457 ? 0.7418 0.9319 0.9515 0.0632 0.1391 0.0537 1135 VAL A C 8704 O O . VAL B 457 ? 0.7130 0.8962 0.9125 0.0710 0.1354 0.0513 1135 VAL A O 8705 C CB . VAL B 457 ? 0.7896 0.9908 1.0048 0.0630 0.1609 0.0591 1135 VAL A CB 8706 C CG1 . VAL B 457 ? 0.7792 0.9656 0.9727 0.0723 0.1625 0.0572 1135 VAL A CG1 8707 C CG2 . VAL B 457 ? 0.7986 1.0192 1.0322 0.0632 0.1714 0.0618 1135 VAL A CG2 8708 N N . GLU B 458 ? 0.7302 0.9118 0.9359 0.0545 0.1349 0.0544 1136 GLU A N 8709 C CA . GLU B 458 ? 0.7103 0.8768 0.9016 0.0543 0.1254 0.0522 1136 GLU A CA 8710 C C . GLU B 458 ? 0.7601 0.9343 0.9604 0.0579 0.1156 0.0491 1136 GLU A C 8711 O O . GLU B 458 ? 0.8223 0.9859 1.0097 0.0625 0.1096 0.0471 1136 GLU A O 8712 C CB . GLU B 458 ? 0.6904 0.8482 0.8781 0.0447 0.1230 0.0534 1136 GLU A CB 8713 C CG . GLU B 458 ? 0.7292 0.8713 0.9013 0.0447 0.1142 0.0513 1136 GLU A CG 8714 C CD . GLU B 458 ? 0.7198 0.8543 0.8902 0.0359 0.1112 0.0521 1136 GLU A CD 8715 O OE1 . GLU B 458 ? 0.7067 0.8502 0.8921 0.0291 0.1127 0.0534 1136 GLU A OE1 8716 O OE2 . GLU B 458 ? 0.7162 0.8356 0.8704 0.0358 0.1072 0.0514 1136 GLU A OE2 8717 N N . ALA B 459 ? 0.7672 0.9598 0.9894 0.0558 0.1137 0.0487 1137 ALA A N 8718 C CA . ALA B 459 ? 0.7320 0.9331 0.9628 0.0599 0.1041 0.0459 1137 ALA A CA 8719 C C . ALA B 459 ? 0.7068 0.9088 0.9332 0.0713 0.1053 0.0451 1137 ALA A C 8720 O O . ALA B 459 ? 0.6830 0.8784 0.9011 0.0764 0.0978 0.0433 1137 ALA A O 8721 C CB . ALA B 459 ? 0.7389 0.9611 0.9954 0.0551 0.1019 0.0456 1137 ALA A CB 8722 N N . ARG B 460 ? 0.7023 0.9118 0.9337 0.0757 0.1148 0.0466 1138 ARG A N 8723 C CA . ARG B 460 ? 0.7231 0.9314 0.9489 0.0870 0.1167 0.0457 1138 ARG A CA 8724 C C . ARG B 460 ? 0.6786 0.8643 0.8794 0.0902 0.1153 0.0448 1138 ARG A C 8725 O O . ARG B 460 ? 0.6503 0.8304 0.8444 0.0973 0.1101 0.0433 1138 ARG A O 8726 C CB . ARG B 460 ? 0.8222 1.0403 1.0551 0.0909 0.1284 0.0472 1138 ARG A CB 8727 C CG . ARG B 460 ? 0.9297 1.1691 1.1835 0.0975 0.1288 0.0468 1138 ARG A CG 8728 C CD . ARG B 460 ? 1.0419 1.3021 1.3205 0.0896 0.1278 0.0477 1138 ARG A CD 8729 N NE . ARG B 460 ? 1.1359 1.4186 1.4361 0.0962 0.1285 0.0474 1138 ARG A NE 8730 C CZ . ARG B 460 ? 1.1854 1.4904 1.5108 0.0909 0.1289 0.0481 1138 ARG A CZ 8731 N NH1 . ARG B 460 ? 1.1915 1.4976 1.5230 0.0785 0.1287 0.0493 1138 ARG A NH1 8732 N NH2 . ARG B 460 ? 1.2024 1.5284 1.5474 0.0979 0.1294 0.0477 1138 ARG A NH2 8733 N N . GLU B 461 ? 0.6362 0.8087 0.8231 0.0851 0.1197 0.0460 1139 GLU A N 8734 C CA . GLU B 461 ? 0.6355 0.7876 0.7998 0.0873 0.1183 0.0451 1139 GLU A CA 8735 C C . GLU B 461 ? 0.6422 0.7868 0.8008 0.0864 0.1076 0.0436 1139 GLU A C 8736 O O . GLU B 461 ? 0.5818 0.7170 0.7297 0.0922 0.1044 0.0425 1139 GLU A O 8737 C CB . GLU B 461 ? 0.6612 0.8025 0.8134 0.0813 0.1239 0.0467 1139 GLU A CB 8738 C CG . GLU B 461 ? 0.6925 0.8302 0.8363 0.0857 0.1340 0.0473 1139 GLU A CG 8739 C CD . GLU B 461 ? 0.7476 0.8669 0.8700 0.0902 0.1331 0.0455 1139 GLU A CD 8740 O OE1 . GLU B 461 ? 0.7337 0.8401 0.8430 0.0856 0.1299 0.0456 1139 GLU A OE1 8741 O OE2 . GLU B 461 ? 0.8416 0.9594 0.9605 0.0984 0.1353 0.0439 1139 GLU A OE2 8742 N N . ASN B 462 ? 0.6525 0.8008 0.8179 0.0790 0.1023 0.0437 1140 ASN A N 8743 C CA . ASN B 462 ? 0.6362 0.7776 0.7956 0.0781 0.0925 0.0423 1140 ASN A CA 8744 C C . ASN B 462 ? 0.5688 0.7179 0.7350 0.0852 0.0867 0.0411 1140 ASN A C 8745 O O . ASN B 462 ? 0.5078 0.6475 0.6634 0.0884 0.0809 0.0403 1140 ASN A O 8746 C CB . ASN B 462 ? 0.7111 0.8552 0.8769 0.0692 0.0882 0.0422 1140 ASN A CB 8747 C CG . ASN B 462 ? 0.8392 0.9728 0.9942 0.0679 0.0795 0.0407 1140 ASN A CG 8748 O OD1 . ASN B 462 ? 0.8777 0.9982 1.0170 0.0712 0.0788 0.0406 1140 ASN A OD1 8749 N ND2 . ASN B 462 ? 0.8901 1.0295 1.0538 0.0631 0.0730 0.0394 1140 ASN A ND2 8750 N N . SER B 463 ? 0.5731 0.7394 0.7569 0.0881 0.0883 0.0412 1141 SER A N 8751 C CA . SER B 463 ? 0.5699 0.7440 0.7603 0.0959 0.0827 0.0403 1141 SER A CA 8752 C C . SER B 463 ? 0.5371 0.7001 0.7143 0.1050 0.0853 0.0404 1141 SER A C 8753 O O . SER B 463 ? 0.5296 0.6868 0.7001 0.1101 0.0791 0.0401 1141 SER A O 8754 C CB . SER B 463 ? 0.6087 0.8051 0.8222 0.0971 0.0843 0.0403 1141 SER A CB 8755 O OG . SER B 463 ? 0.6886 0.8930 0.9085 0.1056 0.0787 0.0396 1141 SER A OG 8756 N N . LEU B 464 ? 0.5488 0.7079 0.7213 0.1071 0.0945 0.0410 1142 LEU A N 8757 C CA . LEU B 464 ? 0.4983 0.6444 0.6569 0.1150 0.0970 0.0406 1142 LEU A CA 8758 C C . LEU B 464 ? 0.4713 0.5981 0.6108 0.1130 0.0926 0.0404 1142 LEU A C 8759 O O . LEU B 464 ? 0.5135 0.6318 0.6450 0.1188 0.0890 0.0402 1142 LEU A O 8760 C CB . LEU B 464 ? 0.5094 0.6535 0.6645 0.1166 0.1076 0.0407 1142 LEU A CB 8761 C CG . LEU B 464 ? 0.5610 0.6943 0.7047 0.1257 0.1114 0.0397 1142 LEU A CG 8762 C CD1 . LEU B 464 ? 0.5919 0.7383 0.7491 0.1349 0.1113 0.0396 1142 LEU A CD1 8763 C CD2 . LEU B 464 ? 0.5997 0.7267 0.7346 0.1252 0.1210 0.0394 1142 LEU A CD2 8764 N N . TYR B 465 ? 0.4463 0.5664 0.5790 0.1047 0.0929 0.0406 1143 TYR A N 8765 C CA . TYR B 465 ? 0.4205 0.5240 0.5365 0.1024 0.0890 0.0404 1143 TYR A CA 8766 C C . TYR B 465 ? 0.4791 0.5827 0.5954 0.1035 0.0801 0.0404 1143 TYR A C 8767 O O . TYR B 465 ? 0.5300 0.6221 0.6349 0.1070 0.0774 0.0406 1143 TYR A O 8768 C CB . TYR B 465 ? 0.3530 0.4516 0.4638 0.0938 0.0905 0.0407 1143 TYR A CB 8769 C CG . TYR B 465 ? 0.4113 0.4972 0.5091 0.0906 0.0851 0.0405 1143 TYR A CG 8770 C CD1 . TYR B 465 ? 0.3809 0.4520 0.4633 0.0921 0.0864 0.0402 1143 TYR A CD1 8771 C CD2 . TYR B 465 ? 0.3776 0.4665 0.4790 0.0863 0.0785 0.0404 1143 TYR A CD2 8772 C CE1 . TYR B 465 ? 0.4155 0.4766 0.4876 0.0892 0.0817 0.0402 1143 TYR A CE1 8773 C CE2 . TYR B 465 ? 0.3841 0.4622 0.4739 0.0840 0.0741 0.0403 1143 TYR A CE2 8774 C CZ . TYR B 465 ? 0.4096 0.4746 0.4854 0.0855 0.0759 0.0404 1143 TYR A CZ 8775 O OH . TYR B 465 ? 0.3714 0.4273 0.4373 0.0832 0.0719 0.0404 1143 TYR A OH 8776 N N . LEU B 466 ? 0.4700 0.5860 0.5989 0.1004 0.0753 0.0402 1144 LEU A N 8777 C CA . LEU B 466 ? 0.4507 0.5670 0.5787 0.1016 0.0665 0.0400 1144 LEU A CA 8778 C C . LEU B 466 ? 0.4728 0.5905 0.6016 0.1110 0.0643 0.0405 1144 LEU A C 8779 O O . LEU B 466 ? 0.4955 0.6050 0.6149 0.1138 0.0593 0.0412 1144 LEU A O 8780 C CB . LEU B 466 ? 0.3792 0.5092 0.5212 0.0966 0.0615 0.0390 1144 LEU A CB 8781 C CG . LEU B 466 ? 0.3620 0.4919 0.5016 0.0977 0.0520 0.0383 1144 LEU A CG 8782 C CD1 . LEU B 466 ? 0.3513 0.4655 0.4740 0.0945 0.0504 0.0384 1144 LEU A CD1 8783 C CD2 . LEU B 466 ? 0.3386 0.4827 0.4929 0.0934 0.0465 0.0365 1144 LEU A CD2 8784 N N . THR B 467 ? 0.4799 0.6082 0.6199 0.1161 0.0681 0.0406 1145 THR A N 8785 C CA . THR B 467 ? 0.4848 0.6140 0.6256 0.1260 0.0663 0.0413 1145 THR A CA 8786 C C . THR B 467 ? 0.5485 0.6585 0.6717 0.1300 0.0688 0.0420 1145 THR A C 8787 O O . THR B 467 ? 0.5567 0.6598 0.6730 0.1353 0.0643 0.0432 1145 THR A O 8788 C CB . THR B 467 ? 0.4965 0.6410 0.6530 0.1311 0.0709 0.0410 1145 THR A CB 8789 O OG1 . THR B 467 ? 0.5630 0.7262 0.7374 0.1266 0.0679 0.0403 1145 THR A OG1 8790 C CG2 . THR B 467 ? 0.4465 0.5917 0.6038 0.1423 0.0687 0.0418 1145 THR A CG2 8791 N N . ALA B 468 ? 0.5602 0.6609 0.6754 0.1275 0.0757 0.0414 1146 ALA A N 8792 C CA . ALA B 468 ? 0.5355 0.6176 0.6343 0.1302 0.0776 0.0416 1146 ALA A CA 8793 C C . ALA B 468 ? 0.5525 0.6231 0.6395 0.1260 0.0723 0.0425 1146 ALA A C 8794 O O . ALA B 468 ? 0.5964 0.6551 0.6735 0.1299 0.0705 0.0436 1146 ALA A O 8795 C CB . ALA B 468 ? 0.5073 0.5825 0.5997 0.1279 0.0854 0.0402 1146 ALA A CB 8796 N N . PHE B 469 ? 0.5069 0.5806 0.5948 0.1182 0.0700 0.0422 1147 PHE A N 8797 C CA . PHE B 469 ? 0.5158 0.5802 0.5933 0.1143 0.0654 0.0430 1147 PHE A CA 8798 C C . PHE B 469 ? 0.5311 0.5973 0.6089 0.1190 0.0588 0.0445 1147 PHE A C 8799 O O . PHE B 469 ? 0.5602 0.6147 0.6267 0.1206 0.0570 0.0461 1147 PHE A O 8800 C CB . PHE B 469 ? 0.4515 0.5204 0.5315 0.1060 0.0642 0.0421 1147 PHE A CB 8801 C CG . PHE B 469 ? 0.4714 0.5294 0.5394 0.1015 0.0618 0.0425 1147 PHE A CG 8802 C CD1 . PHE B 469 ? 0.4911 0.5382 0.5493 0.0983 0.0657 0.0422 1147 PHE A CD1 8803 C CD2 . PHE B 469 ? 0.4879 0.5474 0.5547 0.1006 0.0555 0.0429 1147 PHE A CD2 8804 C CE1 . PHE B 469 ? 0.4828 0.5216 0.5315 0.0943 0.0635 0.0426 1147 PHE A CE1 8805 C CE2 . PHE B 469 ? 0.4829 0.5335 0.5393 0.0969 0.0539 0.0433 1147 PHE A CE2 8806 C CZ . PHE B 469 ? 0.4929 0.5337 0.5410 0.0937 0.0579 0.0432 1147 PHE A CZ 8807 N N . THR B 470 ? 0.4593 0.5403 0.5500 0.1212 0.0552 0.0441 1148 THR A N 8808 C CA . THR B 470 ? 0.4824 0.5663 0.5734 0.1266 0.0485 0.0455 1148 THR A CA 8809 C C . THR B 470 ? 0.5059 0.5814 0.5910 0.1353 0.0498 0.0475 1148 THR A C 8810 O O . THR B 470 ? 0.5162 0.5837 0.5923 0.1386 0.0460 0.0498 1148 THR A O 8811 C CB . THR B 470 ? 0.5359 0.6386 0.6433 0.1276 0.0443 0.0443 1148 THR A CB 8812 O OG1 . THR B 470 ? 0.5802 0.6889 0.6930 0.1189 0.0437 0.0423 1148 THR A OG1 8813 C CG2 . THR B 470 ? 0.5233 0.6288 0.6293 0.1327 0.0362 0.0454 1148 THR A CG2 8814 N N . VAL B 471 ? 0.4997 0.5762 0.5894 0.1393 0.0554 0.0469 1149 VAL A N 8815 C CA . VAL B 471 ? 0.4717 0.5383 0.5551 0.1478 0.0571 0.0484 1149 VAL A CA 8816 C C . VAL B 471 ? 0.4808 0.5272 0.5471 0.1456 0.0582 0.0498 1149 VAL A C 8817 O O . VAL B 471 ? 0.4806 0.5174 0.5391 0.1505 0.0558 0.0523 1149 VAL A O 8818 C CB . VAL B 471 ? 0.4386 0.5090 0.5289 0.1521 0.0638 0.0468 1149 VAL A CB 8819 C CG1 . VAL B 471 ? 0.4083 0.4621 0.4876 0.1589 0.0670 0.0476 1149 VAL A CG1 8820 C CG2 . VAL B 471 ? 0.3941 0.4842 0.5017 0.1574 0.0618 0.0465 1149 VAL A CG2 8821 N N . ILE B 472 ? 0.4707 0.5107 0.5313 0.1380 0.0617 0.0483 1150 ILE A N 8822 C CA . ILE B 472 ? 0.4685 0.4911 0.5147 0.1349 0.0624 0.0493 1150 ILE A CA 8823 C C . ILE B 472 ? 0.5147 0.5349 0.5555 0.1340 0.0568 0.0521 1150 ILE A C 8824 O O . ILE B 472 ? 0.5347 0.5424 0.5658 0.1365 0.0561 0.0547 1150 ILE A O 8825 C CB . ILE B 472 ? 0.4611 0.4800 0.5034 0.1267 0.0661 0.0472 1150 ILE A CB 8826 C CG1 . ILE B 472 ? 0.4597 0.4789 0.5045 0.1284 0.0722 0.0447 1150 ILE A CG1 8827 C CG2 . ILE B 472 ? 0.4325 0.4358 0.4617 0.1230 0.0659 0.0482 1150 ILE A CG2 8828 C CD1 . ILE B 472 ? 0.4282 0.4462 0.4701 0.1210 0.0755 0.0427 1150 ILE A CD1 8829 N N . GLY B 473 ? 0.5460 0.5778 0.5925 0.1305 0.0527 0.0516 1151 GLY A N 8830 C CA . GLY B 473 ? 0.4711 0.5010 0.5115 0.1299 0.0475 0.0538 1151 GLY A CA 8831 C C . GLY B 473 ? 0.5177 0.5462 0.5562 0.1384 0.0440 0.0568 1151 GLY A C 8832 O O . GLY B 473 ? 0.5371 0.5551 0.5649 0.1397 0.0427 0.0600 1151 GLY A O 8833 N N . ILE B 474 ? 0.5307 0.5702 0.5798 0.1445 0.0426 0.0561 1152 ILE A N 8834 C CA . ILE B 474 ? 0.5220 0.5616 0.5700 0.1536 0.0385 0.0591 1152 ILE A CA 8835 C C . ILE B 474 ? 0.5920 0.6145 0.6301 0.1585 0.0422 0.0617 1152 ILE A C 8836 O O . ILE B 474 ? 0.6692 0.6830 0.6984 0.1632 0.0396 0.0656 1152 ILE A O 8837 C CB . ILE B 474 ? 0.5198 0.5769 0.5833 0.1590 0.0361 0.0574 1152 ILE A CB 8838 C CG1 . ILE B 474 ? 0.3983 0.4712 0.4712 0.1536 0.0312 0.0548 1152 ILE A CG1 8839 C CG2 . ILE B 474 ? 0.4739 0.5304 0.5362 0.1697 0.0322 0.0604 1152 ILE A CG2 8840 C CD1 . ILE B 474 ? 0.3959 0.4878 0.4862 0.1575 0.0287 0.0530 1152 ILE A CD1 8841 N N . ARG B 475 ? 0.6011 0.6176 0.6396 0.1574 0.0483 0.0598 1153 ARG A N 8842 C CA . ARG B 475 ? 0.5942 0.5929 0.6230 0.1615 0.0518 0.0616 1153 ARG A CA 8843 C C . ARG B 475 ? 0.6171 0.6002 0.6323 0.1563 0.0520 0.0642 1153 ARG A C 8844 O O . ARG B 475 ? 0.6180 0.5875 0.6243 0.1605 0.0519 0.0678 1153 ARG A O 8845 C CB . ARG B 475 ? 0.5782 0.5736 0.6094 0.1608 0.0581 0.0580 1153 ARG A CB 8846 C CG . ARG B 475 ? 0.6050 0.6132 0.6486 0.1679 0.0596 0.0561 1153 ARG A CG 8847 C CD . ARG B 475 ? 0.6110 0.6118 0.6524 0.1790 0.0595 0.0581 1153 ARG A CD 8848 N NE . ARG B 475 ? 0.6210 0.6351 0.6752 0.1859 0.0616 0.0560 1153 ARG A NE 8849 C CZ . ARG B 475 ? 0.5953 0.6079 0.6514 0.1970 0.0615 0.0572 1153 ARG A CZ 8850 N NH1 . ARG B 475 ? 0.6089 0.6058 0.6541 0.2022 0.0593 0.0608 1153 ARG A NH1 8851 N NH2 . ARG B 475 ? 0.5407 0.5676 0.6099 0.2029 0.0639 0.0550 1153 ARG A NH2 8852 N N . LYS B 476 ? 0.6001 0.5852 0.6140 0.1471 0.0524 0.0627 1154 LYS A N 8853 C CA . LYS B 476 ? 0.5842 0.5563 0.5868 0.1417 0.0532 0.0650 1154 LYS A CA 8854 C C . LYS B 476 ? 0.6177 0.5885 0.6142 0.1442 0.0489 0.0696 1154 LYS A C 8855 O O . LYS B 476 ? 0.6449 0.6030 0.6314 0.1419 0.0501 0.0729 1154 LYS A O 8856 C CB . LYS B 476 ? 0.5981 0.5743 0.6016 0.1322 0.0544 0.0623 1154 LYS A CB 8857 C CG . LYS B 476 ? 0.5987 0.5732 0.6047 0.1288 0.0589 0.0583 1154 LYS A CG 8858 C CD . LYS B 476 ? 0.6278 0.5850 0.6245 0.1266 0.0623 0.0586 1154 LYS A CD 8859 C CE . LYS B 476 ? 0.6044 0.5604 0.6018 0.1220 0.0660 0.0543 1154 LYS A CE 8860 N NZ . LYS B 476 ? 0.6131 0.5531 0.6014 0.1181 0.0682 0.0540 1154 LYS A NZ 8861 N N . ALA B 477 ? 0.5670 0.5506 0.5691 0.1489 0.0440 0.0699 1155 ALA A N 8862 C CA . ALA B 477 ? 0.5151 0.4989 0.5106 0.1518 0.0395 0.0739 1155 ALA A CA 8863 C C . ALA B 477 ? 0.6331 0.6181 0.6291 0.1624 0.0359 0.0767 1155 ALA A C 8864 O O . ALA B 477 ? 0.6969 0.6849 0.6884 0.1661 0.0310 0.0795 1155 ALA A O 8865 C CB . ALA B 477 ? 0.4495 0.4473 0.4492 0.1475 0.0354 0.0715 1155 ALA A CB 8866 N N . PHE B 478 ? 0.5956 0.5781 0.5964 0.1680 0.0382 0.0759 1156 PHE A N 8867 C CA . PHE B 478 ? 0.5486 0.5348 0.5521 0.1789 0.0345 0.0781 1156 PHE A CA 8868 C C . PHE B 478 ? 0.5930 0.5633 0.5826 0.1842 0.0336 0.0844 1156 PHE A C 8869 O O . PHE B 478 ? 0.6027 0.5772 0.5906 0.1919 0.0284 0.0874 1156 PHE A O 8870 C CB . PHE B 478 ? 0.4700 0.4577 0.4822 0.1838 0.0379 0.0754 1156 PHE A CB 8871 C CG . PHE B 478 ? 0.4946 0.4876 0.5114 0.1958 0.0342 0.0773 1156 PHE A CG 8872 C CD1 . PHE B 478 ? 0.4727 0.4867 0.5028 0.1992 0.0292 0.0752 1156 PHE A CD1 8873 C CD2 . PHE B 478 ? 0.4974 0.4741 0.5054 0.2037 0.0356 0.0813 1156 PHE A CD2 8874 C CE1 . PHE B 478 ? 0.5245 0.5448 0.5598 0.2106 0.0254 0.0769 1156 PHE A CE1 8875 C CE2 . PHE B 478 ? 0.5373 0.5188 0.5494 0.2156 0.0320 0.0832 1156 PHE A CE2 8876 C CZ . PHE B 478 ? 0.5491 0.5532 0.5751 0.2193 0.0268 0.0810 1156 PHE A CZ 8877 N N . ASP B 479 ? 0.5846 0.5366 0.5641 0.1801 0.0386 0.0866 1157 ASP A N 8878 C CA . ASP B 479 ? 0.6195 0.5546 0.5859 0.1848 0.0387 0.0931 1157 ASP A CA 8879 C C . ASP B 479 ? 0.6818 0.6195 0.6401 0.1842 0.0348 0.0973 1157 ASP A C 8880 O O . ASP B 479 ? 0.7122 0.6404 0.6605 0.1908 0.0332 0.1032 1157 ASP A O 8881 C CB . ASP B 479 ? 0.6430 0.5583 0.6017 0.1790 0.0450 0.0942 1157 ASP A CB 8882 C CG . ASP B 479 ? 0.7472 0.6561 0.7106 0.1817 0.0486 0.0906 1157 ASP A CG 8883 O OD1 . ASP B 479 ? 0.7168 0.6308 0.6858 0.1912 0.0469 0.0900 1157 ASP A OD1 8884 O OD2 . ASP B 479 ? 0.8406 0.7394 0.8018 0.1746 0.0532 0.0883 1157 ASP A OD2 8885 N N . ILE B 480 ? 0.6646 0.6140 0.6258 0.1770 0.0334 0.0943 1158 ILE A N 8886 C CA . ILE B 480 ? 0.6050 0.5578 0.5581 0.1771 0.0296 0.0974 1158 ILE A CA 8887 C C . ILE B 480 ? 0.7072 0.6709 0.6623 0.1869 0.0223 0.0983 1158 ILE A C 8888 O O . ILE B 480 ? 0.7794 0.7393 0.7236 0.1918 0.0191 0.1033 1158 ILE A O 8889 C CB . ILE B 480 ? 0.5467 0.5097 0.5033 0.1678 0.0296 0.0933 1158 ILE A CB 8890 C CG1 . ILE B 480 ? 0.5236 0.4768 0.4785 0.1585 0.0362 0.0925 1158 ILE A CG1 8891 C CG2 . ILE B 480 ? 0.6306 0.5964 0.5777 0.1684 0.0260 0.0961 1158 ILE A CG2 8892 C CD1 . ILE B 480 ? 0.4921 0.4560 0.4525 0.1502 0.0363 0.0877 1158 ILE A CD1 8893 N N . CYS B 481 ? 0.7001 0.6777 0.6692 0.1900 0.0195 0.0936 1159 CYS A N 8894 C CA . CYS B 481 ? 0.6893 0.6810 0.6636 0.1985 0.0117 0.0933 1159 CYS A CA 8895 C C . CYS B 481 ? 0.6817 0.6790 0.6683 0.2053 0.0117 0.0913 1159 CYS A C 8896 O O . CYS B 481 ? 0.6914 0.7060 0.6931 0.2045 0.0095 0.0862 1159 CYS A O 8897 C CB . CYS B 481 ? 0.6526 0.6619 0.6340 0.1932 0.0069 0.0883 1159 CYS A CB 8898 S SG . CYS B 481 ? 0.7085 0.7349 0.6944 0.2021 -0.0041 0.0876 1159 CYS A SG 8899 N N . PRO B 482 ? 0.7049 0.6877 0.6855 0.2125 0.0144 0.0955 1160 PRO A N 8900 C CA . PRO B 482 ? 0.7107 0.6974 0.7025 0.2194 0.0157 0.0935 1160 PRO A CA 8901 C C . PRO B 482 ? 0.7072 0.7106 0.7082 0.2296 0.0081 0.0932 1160 PRO A C 8902 O O . PRO B 482 ? 0.6856 0.6829 0.6824 0.2406 0.0060 0.0973 1160 PRO A O 8903 C CB . PRO B 482 ? 0.7222 0.6852 0.7019 0.2238 0.0205 0.0984 1160 PRO A CB 8904 C CG . PRO B 482 ? 0.7165 0.6680 0.6799 0.2241 0.0185 0.1048 1160 PRO A CG 8905 C CD . PRO B 482 ? 0.7082 0.6695 0.6714 0.2143 0.0170 0.1024 1160 PRO A CD 8906 N N . LEU B 483 ? 0.7183 0.7430 0.7325 0.2260 0.0038 0.0883 1161 LEU A N 8907 C CA . LEU B 483 ? 0.6969 0.7405 0.7222 0.2343 -0.0042 0.0872 1161 LEU A CA 8908 C C . LEU B 483 ? 0.6986 0.7529 0.7410 0.2393 -0.0018 0.0841 1161 LEU A C 8909 O O . LEU B 483 ? 0.7861 0.8415 0.8362 0.2328 0.0048 0.0803 1161 LEU A O 8910 C CB . LEU B 483 ? 0.7038 0.7652 0.7361 0.2275 -0.0102 0.0830 1161 LEU A CB 8911 C CG . LEU B 483 ? 0.7208 0.7816 0.7404 0.2297 -0.0179 0.0858 1161 LEU A CG 8912 C CD1 . LEU B 483 ? 0.6939 0.7313 0.6920 0.2300 -0.0139 0.0921 1161 LEU A CD1 8913 C CD2 . LEU B 483 ? 0.6867 0.7599 0.7108 0.2201 -0.0215 0.0807 1161 LEU A CD2 8914 N N . VAL B 484 ? 0.6736 0.7361 0.7216 0.2513 -0.0072 0.0858 1162 VAL A N 8915 C CA . VAL B 484 ? 0.7061 0.7814 0.7716 0.2573 -0.0052 0.0830 1162 VAL A CA 8916 C C . VAL B 484 ? 0.7358 0.8349 0.8211 0.2496 -0.0062 0.0767 1162 VAL A C 8917 O O . VAL B 484 ? 0.7605 0.8669 0.8589 0.2483 -0.0003 0.0734 1162 VAL A O 8918 C CB . VAL B 484 ? 0.6516 0.7324 0.7193 0.2725 -0.0118 0.0863 1162 VAL A CB 8919 C CG1 . VAL B 484 ? 0.6111 0.7079 0.6988 0.2794 -0.0099 0.0832 1162 VAL A CG1 8920 C CG2 . VAL B 484 ? 0.5569 0.6116 0.6044 0.2799 -0.0099 0.0930 1162 VAL A CG2 8921 N N . LYS B 485 ? 0.7344 0.8450 0.8214 0.2441 -0.0133 0.0751 1163 LYS A N 8922 C CA . LYS B 485 ? 0.7192 0.8517 0.8250 0.2363 -0.0149 0.0693 1163 LYS A CA 8923 C C . LYS B 485 ? 0.7474 0.8746 0.8549 0.2248 -0.0057 0.0664 1163 LYS A C 8924 O O . LYS B 485 ? 0.7867 0.9272 0.9108 0.2221 -0.0017 0.0628 1163 LYS A O 8925 C CB . LYS B 485 ? 0.7000 0.8415 0.8037 0.2323 -0.0244 0.0680 1163 LYS A CB 8926 C CG . LYS B 485 ? 0.7965 0.9618 0.9209 0.2254 -0.0281 0.0622 1163 LYS A CG 8927 C CD . LYS B 485 ? 0.8838 1.0568 1.0050 0.2231 -0.0387 0.0606 1163 LYS A CD 8928 C CE . LYS B 485 ? 0.9250 1.1215 1.0678 0.2162 -0.0432 0.0546 1163 LYS A CE 8929 N NZ . LYS B 485 ? 0.9584 1.1619 1.0976 0.2143 -0.0544 0.0523 1163 LYS A NZ 8930 N N . ILE B 486 ? 0.7360 0.8441 0.8264 0.2182 -0.0020 0.0680 1164 ILE A N 8931 C CA . ILE B 486 ? 0.7892 0.8919 0.8800 0.2076 0.0060 0.0652 1164 ILE A CA 8932 C C . ILE B 486 ? 0.7608 0.8532 0.8511 0.2109 0.0148 0.0657 1164 ILE A C 8933 O O . ILE B 486 ? 0.7481 0.8408 0.8431 0.2039 0.0214 0.0627 1164 ILE A O 8934 C CB . ILE B 486 ? 0.8671 0.9547 0.9411 0.1994 0.0067 0.0665 1164 ILE A CB 8935 C CG1 . ILE B 486 ? 0.9825 1.0477 1.0383 0.2039 0.0096 0.0716 1164 ILE A CG1 8936 C CG2 . ILE B 486 ? 0.8612 0.9575 0.9334 0.1975 -0.0020 0.0659 1164 ILE A CG2 8937 C CD1 . ILE B 486 ? 1.0427 1.0944 1.0835 0.1959 0.0109 0.0731 1164 ILE A CD1 8938 N N . ASP B 487 ? 0.7672 0.8496 0.8512 0.2217 0.0149 0.0692 1165 ASP A N 8939 C CA . ASP B 487 ? 0.7571 0.8316 0.8425 0.2262 0.0226 0.0688 1165 ASP A CA 8940 C C . ASP B 487 ? 0.7219 0.8181 0.8283 0.2297 0.0239 0.0652 1165 ASP A C 8941 O O . ASP B 487 ? 0.7242 0.8202 0.8356 0.2272 0.0316 0.0625 1165 ASP A O 8942 C CB . ASP B 487 ? 0.7905 0.8477 0.8636 0.2373 0.0223 0.0735 1165 ASP A CB 8943 C CG . ASP B 487 ? 0.8310 0.8781 0.9043 0.2425 0.0301 0.0725 1165 ASP A CG 8944 O OD1 . ASP B 487 ? 0.8186 0.8466 0.8801 0.2372 0.0361 0.0723 1165 ASP A OD1 8945 O OD2 . ASP B 487 ? 0.8517 0.9100 0.9368 0.2522 0.0300 0.0716 1165 ASP A OD2 8946 N N . THR B 488 ? 0.6863 0.8019 0.8053 0.2353 0.0164 0.0652 1166 THR A N 8947 C CA . THR B 488 ? 0.6470 0.7867 0.7886 0.2371 0.0172 0.0618 1166 THR A CA 8948 C C . THR B 488 ? 0.6520 0.8013 0.8026 0.2239 0.0210 0.0578 1166 THR A C 8949 O O . THR B 488 ? 0.6841 0.8417 0.8462 0.2227 0.0279 0.0554 1166 THR A O 8950 C CB . THR B 488 ? 0.5805 0.7397 0.7338 0.2440 0.0070 0.0624 1166 THR A CB 8951 O OG1 . THR B 488 ? 0.6661 0.8157 0.8106 0.2573 0.0039 0.0666 1166 THR A OG1 8952 C CG2 . THR B 488 ? 0.5416 0.7278 0.7206 0.2450 0.0077 0.0589 1166 THR A CG2 8953 N N . ALA B 489 ? 0.5621 0.7099 0.7068 0.2143 0.0167 0.0573 1167 ALA A N 8954 C CA . ALA B 489 ? 0.5715 0.7246 0.7220 0.2018 0.0205 0.0539 1167 ALA A CA 8955 C C . ALA B 489 ? 0.5837 0.7220 0.7264 0.1981 0.0310 0.0534 1167 ALA A C 8956 O O . ALA B 489 ? 0.5805 0.7275 0.7336 0.1930 0.0369 0.0508 1167 ALA A O 8957 C CB . ALA B 489 ? 0.4982 0.6470 0.6395 0.1933 0.0148 0.0537 1167 ALA A CB 8958 N N . LEU B 490 ? 0.5526 0.6684 0.6768 0.2007 0.0333 0.0559 1168 LEU A N 8959 C CA . LEU B 490 ? 0.5229 0.6235 0.6386 0.1975 0.0423 0.0550 1168 LEU A CA 8960 C C . LEU B 490 ? 0.5605 0.6678 0.6865 0.2044 0.0486 0.0534 1168 LEU A C 8961 O O . LEU B 490 ? 0.5531 0.6585 0.6799 0.2000 0.0561 0.0511 1168 LEU A O 8962 C CB . LEU B 490 ? 0.4791 0.5549 0.5745 0.1995 0.0429 0.0580 1168 LEU A CB 8963 C CG . LEU B 490 ? 0.5009 0.5656 0.5834 0.1899 0.0411 0.0590 1168 LEU A CG 8964 C CD1 . LEU B 490 ? 0.4876 0.5302 0.5524 0.1933 0.0410 0.0628 1168 LEU A CD1 8965 C CD2 . LEU B 490 ? 0.4249 0.4872 0.5068 0.1797 0.0471 0.0559 1168 LEU A CD2 8966 N N . ILE B 491 ? 0.5479 0.6633 0.6815 0.2158 0.0457 0.0547 1169 ILE A N 8967 C CA . ILE B 491 ? 0.5762 0.6995 0.7206 0.2236 0.0518 0.0532 1169 ILE A CA 8968 C C . ILE B 491 ? 0.6359 0.7825 0.7999 0.2179 0.0546 0.0503 1169 ILE A C 8969 O O . ILE B 491 ? 0.6850 0.8329 0.8526 0.2168 0.0632 0.0482 1169 ILE A O 8970 C CB . ILE B 491 ? 0.5873 0.7150 0.7361 0.2378 0.0473 0.0555 1169 ILE A CB 8971 C CG1 . ILE B 491 ? 0.6429 0.7441 0.7708 0.2435 0.0463 0.0589 1169 ILE A CG1 8972 C CG2 . ILE B 491 ? 0.5195 0.6596 0.6825 0.2462 0.0534 0.0536 1169 ILE A CG2 8973 C CD1 . ILE B 491 ? 0.6283 0.7310 0.7576 0.2576 0.0408 0.0620 1169 ILE A CD1 8974 N N . LYS B 492 ? 0.5962 0.7610 0.7726 0.2137 0.0475 0.0500 1170 LYS A N 8975 C CA . LYS B 492 ? 0.5888 0.7760 0.7852 0.2074 0.0499 0.0475 1170 LYS A CA 8976 C C . LYS B 492 ? 0.6299 0.8093 0.8202 0.1956 0.0568 0.0459 1170 LYS A C 8977 O O . LYS B 492 ? 0.6904 0.8785 0.8902 0.1935 0.0645 0.0443 1170 LYS A O 8978 C CB . LYS B 492 ? 0.5895 0.7950 0.7986 0.2042 0.0399 0.0471 1170 LYS A CB 8979 C CG . LYS B 492 ? 0.6685 0.8871 0.8877 0.2161 0.0327 0.0484 1170 LYS A CG 8980 C CD . LYS B 492 ? 0.7690 1.0118 1.0070 0.2119 0.0242 0.0467 1170 LYS A CD 8981 C CE . LYS B 492 ? 0.8924 1.1277 1.1197 0.2022 0.0173 0.0462 1170 LYS A CE 8982 N NZ . LYS B 492 ? 0.9290 1.1864 1.1737 0.1974 0.0085 0.0438 1170 LYS A NZ 8983 N N . ALA B 493 ? 0.6058 0.7687 0.7798 0.1883 0.0542 0.0464 1171 ALA A N 8984 C CA . ALA B 493 ? 0.5817 0.7363 0.7488 0.1776 0.0599 0.0451 1171 ALA A CA 8985 C C . ALA B 493 ? 0.6568 0.7988 0.8153 0.1806 0.0695 0.0444 1171 ALA A C 8986 O O . ALA B 493 ? 0.5985 0.7441 0.7606 0.1754 0.0765 0.0429 1171 ALA A O 8987 C CB . ALA B 493 ? 0.5141 0.6535 0.6652 0.1708 0.0551 0.0459 1171 ALA A CB 8988 N N . ASP B 494 ? 0.7086 0.8350 0.8550 0.1891 0.0699 0.0456 1172 ASP A N 8989 C CA . ASP B 494 ? 0.7479 0.8612 0.8855 0.1928 0.0783 0.0444 1172 ASP A CA 8990 C C . ASP B 494 ? 0.7846 0.9147 0.9377 0.1978 0.0850 0.0428 1172 ASP A C 8991 O O . ASP B 494 ? 0.8306 0.9566 0.9802 0.1961 0.0932 0.0409 1172 ASP A O 8992 C CB . ASP B 494 ? 0.8110 0.9055 0.9349 0.2019 0.0768 0.0459 1172 ASP A CB 8993 C CG . ASP B 494 ? 0.9136 0.9856 1.0181 0.1956 0.0751 0.0469 1172 ASP A CG 8994 O OD1 . ASP B 494 ? 0.9320 1.0057 1.0349 0.1858 0.0721 0.0471 1172 ASP A OD1 8995 O OD2 . ASP B 494 ? 0.9877 1.0403 1.0789 0.2004 0.0769 0.0473 1172 ASP A OD2 8996 N N . ASN B 495 ? 0.7705 0.9204 0.9410 0.2042 0.0815 0.0435 1173 ASN A N 8997 C CA . ASN B 495 ? 0.7416 0.9106 0.9295 0.2085 0.0881 0.0422 1173 ASN A CA 8998 C C . ASN B 495 ? 0.6768 0.8577 0.8737 0.1972 0.0927 0.0411 1173 ASN A C 8999 O O . ASN B 495 ? 0.6724 0.8566 0.8720 0.1975 0.1021 0.0399 1173 ASN A O 9000 C CB . ASN B 495 ? 0.7689 0.9587 0.9754 0.2170 0.0824 0.0432 1173 ASN A CB 9001 C CG . ASN B 495 ? 0.8089 0.9880 1.0079 0.2307 0.0803 0.0444 1173 ASN A CG 9002 O OD1 . ASN B 495 ? 0.8007 0.9631 0.9872 0.2364 0.0866 0.0437 1173 ASN A OD1 9003 N ND2 . ASN B 495 ? 0.8438 1.0319 1.0498 0.2364 0.0712 0.0463 1173 ASN A ND2 9004 N N . PHE B 496 ? 0.5909 0.7773 0.7914 0.1872 0.0864 0.0415 1174 PHE A N 9005 C CA . PHE B 496 ? 0.5614 0.7570 0.7695 0.1760 0.0905 0.0408 1174 PHE A CA 9006 C C . PHE B 496 ? 0.5973 0.7750 0.7885 0.1714 0.0984 0.0401 1174 PHE A C 9007 O O . PHE B 496 ? 0.6115 0.7959 0.8079 0.1685 0.1067 0.0396 1174 PHE A O 9008 C CB . PHE B 496 ? 0.4632 0.6629 0.6742 0.1665 0.0817 0.0411 1174 PHE A CB 9009 C CG . PHE B 496 ? 0.4181 0.6251 0.6361 0.1547 0.0853 0.0406 1174 PHE A CG 9010 C CD1 . PHE B 496 ? 0.3702 0.5606 0.5724 0.1467 0.0882 0.0405 1174 PHE A CD1 9011 C CD2 . PHE B 496 ? 0.4381 0.6687 0.6789 0.1516 0.0856 0.0404 1174 PHE A CD2 9012 C CE1 . PHE B 496 ? 0.3640 0.5600 0.5718 0.1364 0.0914 0.0405 1174 PHE A CE1 9013 C CE2 . PHE B 496 ? 0.4084 0.6445 0.6554 0.1404 0.0891 0.0404 1174 PHE A CE2 9014 C CZ . PHE B 496 ? 0.4025 0.6207 0.6325 0.1331 0.0920 0.0406 1174 PHE A CZ 9015 N N . LEU B 497 ? 0.5826 0.7378 0.7535 0.1707 0.0958 0.0401 1175 LEU A N 9016 C CA . LEU B 497 ? 0.5351 0.6729 0.6893 0.1668 0.1022 0.0391 1175 LEU A CA 9017 C C . LEU B 497 ? 0.6089 0.7448 0.7614 0.1749 0.1113 0.0377 1175 LEU A C 9018 O O . LEU B 497 ? 0.6230 0.7569 0.7715 0.1714 0.1190 0.0366 1175 LEU A O 9019 C CB . LEU B 497 ? 0.4832 0.5984 0.6177 0.1656 0.0974 0.0394 1175 LEU A CB 9020 C CG . LEU B 497 ? 0.4797 0.5932 0.6114 0.1564 0.0901 0.0404 1175 LEU A CG 9021 C CD1 . LEU B 497 ? 0.5119 0.6042 0.6252 0.1563 0.0864 0.0410 1175 LEU A CD1 9022 C CD2 . LEU B 497 ? 0.4546 0.5713 0.5874 0.1460 0.0936 0.0398 1175 LEU A CD2 9023 N N . LEU B 498 ? 0.6311 0.7674 0.7861 0.1864 0.1107 0.0376 1176 LEU A N 9024 C CA . LEU B 498 ? 0.6524 0.7857 0.8048 0.1954 0.1193 0.0358 1176 LEU A CA 9025 C C . LEU B 498 ? 0.6720 0.8267 0.8412 0.1950 0.1272 0.0356 1176 LEU A C 9026 O O . LEU B 498 ? 0.6504 0.8010 0.8134 0.1960 0.1362 0.0340 1176 LEU A O 9027 C CB . LEU B 498 ? 0.6456 0.7758 0.7986 0.2084 0.1165 0.0361 1176 LEU A CB 9028 C CG . LEU B 498 ? 0.6511 0.7560 0.7847 0.2106 0.1114 0.0364 1176 LEU A CG 9029 C CD1 . LEU B 498 ? 0.6319 0.7371 0.7692 0.2231 0.1074 0.0377 1176 LEU A CD1 9030 C CD2 . LEU B 498 ? 0.6874 0.7705 0.8020 0.2106 0.1177 0.0337 1176 LEU A CD2 9031 N N . GLU B 499 ? 0.7166 0.8945 0.9070 0.1930 0.1238 0.0371 1177 GLU A N 9032 C CA . GLU B 499 ? 0.7539 0.9542 0.9630 0.1930 0.1316 0.0373 1177 GLU A CA 9033 C C . GLU B 499 ? 0.7040 0.9072 0.9134 0.1803 0.1359 0.0379 1177 GLU A C 9034 O O . GLU B 499 ? 0.7244 0.9385 0.9415 0.1799 0.1454 0.0381 1177 GLU A O 9035 C CB . GLU B 499 ? 0.8673 1.0926 1.1008 0.1962 0.1261 0.0385 1177 GLU A CB 9036 C CG . GLU B 499 ? 1.0132 1.2444 1.2533 0.2113 0.1271 0.0380 1177 GLU A CG 9037 C CD . GLU B 499 ? 1.1271 1.3776 1.3863 0.2151 0.1178 0.0392 1177 GLU A CD 9038 O OE1 . GLU B 499 ? 1.1538 1.3954 1.4058 0.2138 0.1076 0.0399 1177 GLU A OE1 9039 O OE2 . GLU B 499 ? 1.1883 1.4633 1.4697 0.2196 0.1208 0.0394 1177 GLU A OE2 9040 N N . ASN B 500 ? 0.6809 0.8743 0.8819 0.1702 0.1296 0.0385 1178 ASN A N 9041 C CA . ASN B 500 ? 0.6657 0.8638 0.8699 0.1582 0.1323 0.0395 1178 ASN A CA 9042 C C . ASN B 500 ? 0.6488 0.8256 0.8308 0.1527 0.1357 0.0390 1178 ASN A C 9043 O O . ASN B 500 ? 0.6113 0.7900 0.7938 0.1433 0.1386 0.0401 1178 ASN A O 9044 C CB . ASN B 500 ? 0.6619 0.8687 0.8766 0.1501 0.1225 0.0405 1178 ASN A CB 9045 C CG . ASN B 500 ? 0.6865 0.9172 0.9252 0.1541 0.1188 0.0408 1178 ASN A CG 9046 O OD1 . ASN B 500 ? 0.6858 0.9359 0.9433 0.1495 0.1223 0.0417 1178 ASN A OD1 9047 N ND2 . ASN B 500 ? 0.7199 0.9495 0.9584 0.1626 0.1116 0.0404 1178 ASN A ND2 9048 N N . THR B 501 ? 0.6482 0.8047 0.8110 0.1580 0.1354 0.0373 1179 THR A N 9049 C CA . THR B 501 ? 0.6408 0.7777 0.7830 0.1526 0.1375 0.0365 1179 THR A CA 9050 C C . THR B 501 ? 0.6946 0.8325 0.8330 0.1532 0.1487 0.0360 1179 THR A C 9051 O O . THR B 501 ? 0.6659 0.8002 0.7980 0.1451 0.1516 0.0369 1179 THR A O 9052 C CB . THR B 501 ? 0.6222 0.7376 0.7461 0.1576 0.1334 0.0347 1179 THR A CB 9053 O OG1 . THR B 501 ? 0.6751 0.7894 0.8015 0.1565 0.1235 0.0358 1179 THR A OG1 9054 C CG2 . THR B 501 ? 0.6079 0.7044 0.7118 0.1519 0.1350 0.0335 1179 THR A CG2 9055 N N . LEU B 502 ? 0.7303 0.8729 0.8718 0.1631 0.1553 0.0348 1180 LEU A N 9056 C CA . LEU B 502 ? 0.7282 0.8733 0.8664 0.1649 0.1668 0.0344 1180 LEU A CA 9057 C C . LEU B 502 ? 0.7537 0.9250 0.9156 0.1641 0.1725 0.0368 1180 LEU A C 9058 O O . LEU B 502 ? 0.8042 0.9913 0.9844 0.1684 0.1693 0.0374 1180 LEU A O 9059 C CB . LEU B 502 ? 0.7197 0.8533 0.8458 0.1767 0.1716 0.0311 1180 LEU A CB 9060 C CG . LEU B 502 ? 0.6622 0.7693 0.7652 0.1776 0.1664 0.0283 1180 LEU A CG 9061 C CD1 . LEU B 502 ? 0.6139 0.7102 0.7066 0.1896 0.1712 0.0248 1180 LEU A CD1 9062 C CD2 . LEU B 502 ? 0.6497 0.7441 0.7365 0.1683 0.1672 0.0282 1180 LEU A CD2 9063 N N . PRO B 503 ? 0.7390 0.9152 0.9009 0.1585 0.1810 0.0385 1181 PRO A N 9064 C CA . PRO B 503 ? 0.7331 0.8916 0.8732 0.1539 0.1849 0.0381 1181 PRO A CA 9065 C C . PRO B 503 ? 0.7215 0.8698 0.8542 0.1429 0.1768 0.0393 1181 PRO A C 9066 O O . PRO B 503 ? 0.7492 0.9090 0.8966 0.1355 0.1724 0.0417 1181 PRO A O 9067 C CB . PRO B 503 ? 0.7264 0.8988 0.8741 0.1521 0.1968 0.0407 1181 PRO A CB 9068 C CG . PRO B 503 ? 0.7279 0.9250 0.9036 0.1490 0.1958 0.0434 1181 PRO A CG 9069 C CD . PRO B 503 ? 0.7219 0.9230 0.9065 0.1568 0.1879 0.0413 1181 PRO A CD 9070 N N . ALA B 504 ? 0.6679 0.7946 0.7780 0.1421 0.1747 0.0373 1182 ALA A N 9071 C CA . ALA B 504 ? 0.5808 0.6966 0.6828 0.1332 0.1665 0.0380 1182 ALA A CA 9072 C C . ALA B 504 ? 0.6025 0.7233 0.7068 0.1235 0.1699 0.0412 1182 ALA A C 9073 O O . ALA B 504 ? 0.6429 0.7690 0.7472 0.1238 0.1796 0.0427 1182 ALA A O 9074 C CB . ALA B 504 ? 0.5350 0.6278 0.6132 0.1350 0.1637 0.0349 1182 ALA A CB 9075 N N . GLN B 505 ? 0.6196 0.7383 0.7258 0.1153 0.1621 0.0425 1183 GLN A N 9076 C CA . GLN B 505 ? 0.6105 0.7300 0.7166 0.1058 0.1638 0.0456 1183 GLN A CA 9077 C C . GLN B 505 ? 0.6037 0.7042 0.6898 0.1015 0.1593 0.0449 1183 GLN A C 9078 O O . GLN B 505 ? 0.6077 0.7052 0.6886 0.0953 0.1619 0.0473 1183 GLN A O 9079 C CB . GLN B 505 ? 0.6299 0.7637 0.7562 0.0992 0.1587 0.0476 1183 GLN A CB 9080 C CG . GLN B 505 ? 0.7199 0.8755 0.8689 0.1017 0.1634 0.0487 1183 GLN A CG 9081 C CD . GLN B 505 ? 0.7876 0.9507 0.9392 0.1012 0.1757 0.0513 1183 GLN A CD 9082 O OE1 . GLN B 505 ? 0.8599 1.0181 1.0053 0.0941 0.1792 0.0540 1183 GLN A OE1 9083 N NE2 . GLN B 505 ? 0.8151 0.9897 0.9752 0.1091 0.1826 0.0508 1183 GLN A NE2 9084 N N . SER B 506 ? 0.5861 0.6740 0.6612 0.1048 0.1527 0.0420 1184 SER A N 9085 C CA . SER B 506 ? 0.5285 0.5995 0.5857 0.1012 0.1481 0.0411 1184 SER A CA 9086 C C . SER B 506 ? 0.5648 0.6236 0.6111 0.1070 0.1438 0.0375 1184 SER A C 9087 O O . SER B 506 ? 0.6262 0.6891 0.6807 0.1118 0.1410 0.0365 1184 SER A O 9088 C CB . SER B 506 ? 0.5254 0.5971 0.5874 0.0932 0.1407 0.0428 1184 SER A CB 9089 O OG . SER B 506 ? 0.5557 0.6317 0.6273 0.0944 0.1334 0.0419 1184 SER A OG 9090 N N . THR B 507 ? 0.5422 0.5855 0.5699 0.1065 0.1432 0.0357 1185 THR A N 9091 C CA . THR B 507 ? 0.5065 0.5367 0.5235 0.1107 0.1389 0.0323 1185 THR A CA 9092 C C . THR B 507 ? 0.5235 0.5521 0.5453 0.1080 0.1298 0.0327 1185 THR A C 9093 O O . THR B 507 ? 0.5496 0.5716 0.5688 0.1122 0.1264 0.0308 1185 THR A O 9094 C CB . THR B 507 ? 0.4601 0.4750 0.4572 0.1097 0.1394 0.0301 1185 THR A CB 9095 O OG1 . THR B 507 ? 0.4676 0.4848 0.4595 0.1113 0.1480 0.0305 1185 THR A OG1 9096 C CG2 . THR B 507 ? 0.5046 0.5062 0.4912 0.1149 0.1369 0.0260 1185 THR A CG2 9097 N N . PHE B 508 ? 0.5208 0.5549 0.5489 0.1012 0.1260 0.0352 1186 PHE A N 9098 C CA . PHE B 508 ? 0.5608 0.5936 0.5922 0.0986 0.1177 0.0355 1186 PHE A CA 9099 C C . PHE B 508 ? 0.5668 0.6089 0.6116 0.1032 0.1156 0.0359 1186 PHE A C 9100 O O . PHE B 508 ? 0.5071 0.5429 0.5490 0.1065 0.1113 0.0349 1186 PHE A O 9101 C CB . PHE B 508 ? 0.6061 0.6426 0.6409 0.0910 0.1148 0.0378 1186 PHE A CB 9102 C CG . PHE B 508 ? 0.6482 0.6847 0.6867 0.0885 0.1068 0.0382 1186 PHE A CG 9103 C CD1 . PHE B 508 ? 0.6571 0.6820 0.6847 0.0875 0.1020 0.0372 1186 PHE A CD1 9104 C CD2 . PHE B 508 ? 0.6565 0.7048 0.7093 0.0870 0.1040 0.0395 1186 PHE A CD2 9105 C CE1 . PHE B 508 ? 0.6120 0.6371 0.6422 0.0855 0.0954 0.0378 1186 PHE A CE1 9106 C CE2 . PHE B 508 ? 0.6393 0.6871 0.6939 0.0852 0.0967 0.0397 1186 PHE A CE2 9107 C CZ . PHE B 508 ? 0.6085 0.6447 0.6515 0.0846 0.0928 0.0390 1186 PHE A CZ 9108 N N . THR B 509 ? 0.6015 0.6589 0.6613 0.1034 0.1186 0.0374 1187 THR A N 9109 C CA . THR B 509 ? 0.5980 0.6662 0.6716 0.1081 0.1162 0.0376 1187 THR A CA 9110 C C . THR B 509 ? 0.6091 0.6737 0.6798 0.1172 0.1195 0.0359 1187 THR A C 9111 O O . THR B 509 ? 0.6209 0.6870 0.6963 0.1223 0.1156 0.0358 1187 THR A O 9112 C CB . THR B 509 ? 0.5690 0.6553 0.6603 0.1057 0.1189 0.0394 1187 THR A CB 9113 O OG1 . THR B 509 ? 0.6124 0.7023 0.7037 0.1066 0.1281 0.0398 1187 THR A OG1 9114 C CG2 . THR B 509 ? 0.5377 0.6263 0.6323 0.0969 0.1145 0.0409 1187 THR A CG2 9115 N N . LEU B 510 ? 0.6050 0.6643 0.6671 0.1199 0.1267 0.0345 1188 LEU A N 9116 C CA . LEU B 510 ? 0.5702 0.6230 0.6268 0.1288 0.1298 0.0322 1188 LEU A CA 9117 C C . LEU B 510 ? 0.5227 0.5587 0.5671 0.1301 0.1238 0.0306 1188 LEU A C 9118 O O . LEU B 510 ? 0.5369 0.5703 0.5829 0.1368 0.1220 0.0300 1188 LEU A O 9119 C CB . LEU B 510 ? 0.5100 0.5584 0.5570 0.1309 0.1384 0.0305 1188 LEU A CB 9120 C CG . LEU B 510 ? 0.5008 0.5418 0.5408 0.1407 0.1427 0.0274 1188 LEU A CG 9121 C CD1 . LEU B 510 ? 0.4672 0.5240 0.5239 0.1480 0.1462 0.0282 1188 LEU A CD1 9122 C CD2 . LEU B 510 ? 0.5141 0.5467 0.5395 0.1414 0.1497 0.0252 1188 LEU A CD2 9123 N N . ALA B 511 ? 0.4760 0.5007 0.5085 0.1237 0.1206 0.0302 1189 ALA A N 9124 C CA . ALA B 511 ? 0.4784 0.4876 0.5000 0.1238 0.1152 0.0290 1189 ALA A CA 9125 C C . ALA B 511 ? 0.5860 0.5989 0.6156 0.1239 0.1086 0.0312 1189 ALA A C 9126 O O . ALA B 511 ? 0.6339 0.6386 0.6603 0.1287 0.1062 0.0309 1189 ALA A O 9127 C CB . ALA B 511 ? 0.4407 0.4398 0.4500 0.1166 0.1133 0.0283 1189 ALA A CB 9128 N N . ILE B 512 ? 0.5599 0.5841 0.5990 0.1187 0.1054 0.0335 1190 ILE A N 9129 C CA . ILE B 512 ? 0.5073 0.5345 0.5522 0.1189 0.0987 0.0354 1190 ILE A CA 9130 C C . ILE B 512 ? 0.5134 0.5486 0.5683 0.1271 0.0989 0.0359 1190 ILE A C 9131 O O . ILE B 512 ? 0.5986 0.6295 0.6525 0.1307 0.0944 0.0369 1190 ILE A O 9132 C CB . ILE B 512 ? 0.4304 0.4673 0.4825 0.1120 0.0951 0.0370 1190 ILE A CB 9133 C CG1 . ILE B 512 ? 0.4367 0.4736 0.4906 0.1121 0.0878 0.0386 1190 ILE A CG1 9134 C CG2 . ILE B 512 ? 0.3792 0.4329 0.4459 0.1117 0.0982 0.0376 1190 ILE A CG2 9135 C CD1 . ILE B 512 ? 0.4205 0.4647 0.4795 0.1057 0.0835 0.0396 1190 ILE A CD1 9136 N N . SER B 513 ? 0.4752 0.5220 0.5397 0.1306 0.1043 0.0354 1191 SER A N 9137 C CA . SER B 513 ? 0.4680 0.5229 0.5423 0.1394 0.1048 0.0357 1191 SER A CA 9138 C C . SER B 513 ? 0.5306 0.5701 0.5938 0.1469 0.1062 0.0342 1191 SER A C 9139 O O . SER B 513 ? 0.5498 0.5881 0.6154 0.1535 0.1030 0.0352 1191 SER A O 9140 C CB . SER B 513 ? 0.5068 0.5781 0.5942 0.1412 0.1112 0.0355 1191 SER A CB 9141 O OG . SER B 513 ? 0.5804 0.6617 0.6791 0.1501 0.1113 0.0358 1191 SER A OG 9142 N N . ALA B 514 ? 0.5640 0.5906 0.6143 0.1462 0.1108 0.0318 1192 ALA A N 9143 C CA . ALA B 514 ? 0.5919 0.6018 0.6306 0.1526 0.1119 0.0298 1192 ALA A CA 9144 C C . ALA B 514 ? 0.5757 0.5725 0.6070 0.1512 0.1052 0.0312 1192 ALA A C 9145 O O . ALA B 514 ? 0.5861 0.5744 0.6146 0.1582 0.1040 0.0314 1192 ALA A O 9146 C CB . ALA B 514 ? 0.5672 0.5654 0.5924 0.1509 0.1171 0.0264 1192 ALA A CB 9147 N N . TYR B 515 ? 0.5202 0.5150 0.5481 0.1425 0.1010 0.0324 1193 TYR A N 9148 C CA . TYR B 515 ? 0.5269 0.5102 0.5480 0.1406 0.0954 0.0341 1193 TYR A CA 9149 C C . TYR B 515 ? 0.5713 0.5631 0.6016 0.1446 0.0907 0.0374 1193 TYR A C 9150 O O . TYR B 515 ? 0.5035 0.4850 0.5288 0.1484 0.0879 0.0390 1193 TYR A O 9151 C CB . TYR B 515 ? 0.4828 0.4630 0.4984 0.1307 0.0927 0.0344 1193 TYR A CB 9152 C CG . TYR B 515 ? 0.5263 0.4978 0.5369 0.1283 0.0873 0.0368 1193 TYR A CG 9153 C CD1 . TYR B 515 ? 0.5950 0.5499 0.5963 0.1310 0.0869 0.0367 1193 TYR A CD1 9154 C CD2 . TYR B 515 ? 0.5264 0.5057 0.5411 0.1233 0.0829 0.0392 1193 TYR A CD2 9155 C CE1 . TYR B 515 ? 0.6077 0.5549 0.6046 0.1284 0.0827 0.0394 1193 TYR A CE1 9156 C CE2 . TYR B 515 ? 0.5401 0.5119 0.5497 0.1214 0.0787 0.0417 1193 TYR A CE2 9157 C CZ . TYR B 515 ? 0.5876 0.5437 0.5886 0.1238 0.0789 0.0420 1193 TYR A CZ 9158 O OH . TYR B 515 ? 0.6139 0.5628 0.6101 0.1216 0.0755 0.0451 1193 TYR A OH 9159 N N . ALA B 516 ? 0.5524 0.5625 0.5959 0.1438 0.0897 0.0384 1194 ALA A N 9160 C CA . ALA B 516 ? 0.4802 0.4998 0.5327 0.1483 0.0848 0.0410 1194 ALA A CA 9161 C C . ALA B 516 ? 0.5378 0.5554 0.5924 0.1592 0.0862 0.0412 1194 ALA A C 9162 O O . ALA B 516 ? 0.5999 0.6122 0.6521 0.1641 0.0821 0.0436 1194 ALA A O 9163 C CB . ALA B 516 ? 0.4929 0.5329 0.5602 0.1452 0.0836 0.0413 1194 ALA A CB 9164 N N . LEU B 517 ? 0.5336 0.5548 0.5917 0.1637 0.0925 0.0388 1195 LEU A N 9165 C CA . LEU B 517 ? 0.5030 0.5217 0.5626 0.1750 0.0945 0.0385 1195 LEU A CA 9166 C C . LEU B 517 ? 0.5514 0.5462 0.5950 0.1781 0.0947 0.0380 1195 LEU A C 9167 O O . LEU B 517 ? 0.5926 0.5818 0.6356 0.1873 0.0939 0.0391 1195 LEU A O 9168 C CB . LEU B 517 ? 0.4962 0.5252 0.5633 0.1791 0.1019 0.0359 1195 LEU A CB 9169 C CG . LEU B 517 ? 0.5122 0.5664 0.5982 0.1775 0.1019 0.0369 1195 LEU A CG 9170 C CD1 . LEU B 517 ? 0.4956 0.5593 0.5878 0.1793 0.1104 0.0347 1195 LEU A CD1 9171 C CD2 . LEU B 517 ? 0.5235 0.5891 0.6214 0.1852 0.0968 0.0391 1195 LEU A CD2 9172 N N . SER B 518 ? 0.5339 0.5143 0.5649 0.1707 0.0956 0.0365 1196 SER A N 9173 C CA . SER B 518 ? 0.5508 0.5083 0.5674 0.1723 0.0953 0.0359 1196 SER A CA 9174 C C . SER B 518 ? 0.6613 0.6117 0.6751 0.1729 0.0894 0.0402 1196 SER A C 9175 O O . SER B 518 ? 0.7405 0.6728 0.7447 0.1766 0.0891 0.0407 1196 SER A O 9176 C CB . SER B 518 ? 0.5552 0.5008 0.5603 0.1634 0.0967 0.0332 1196 SER A CB 9177 O OG . SER B 518 ? 0.6187 0.5663 0.6232 0.1543 0.0923 0.0355 1196 SER A OG 9178 N N . LEU B 519 ? 0.6585 0.6218 0.6796 0.1693 0.0848 0.0432 1197 LEU A N 9179 C CA . LEU B 519 ? 0.6617 0.6198 0.6796 0.1702 0.0793 0.0475 1197 LEU A CA 9180 C C . LEU B 519 ? 0.7123 0.6740 0.7355 0.1816 0.0775 0.0499 1197 LEU A C 9181 O O . LEU B 519 ? 0.7655 0.7217 0.7849 0.1840 0.0731 0.0539 1197 LEU A O 9182 C CB . LEU B 519 ? 0.5707 0.5410 0.5933 0.1627 0.0750 0.0494 1197 LEU A CB 9183 C CG . LEU B 519 ? 0.5431 0.5108 0.5608 0.1518 0.0762 0.0475 1197 LEU A CG 9184 C CD1 . LEU B 519 ? 0.5165 0.4978 0.5402 0.1458 0.0722 0.0489 1197 LEU A CD1 9185 C CD2 . LEU B 519 ? 0.4540 0.4013 0.4582 0.1481 0.0763 0.0482 1197 LEU A CD2 9186 N N . GLY B 520 ? 0.7152 0.6863 0.7471 0.1891 0.0808 0.0477 1198 GLY A N 9187 C CA . GLY B 520 ? 0.7176 0.6934 0.7556 0.2008 0.0790 0.0497 1198 GLY A CA 9188 C C . GLY B 520 ? 0.7335 0.6966 0.7666 0.2099 0.0839 0.0476 1198 GLY A C 9189 O O . GLY B 520 ? 0.7413 0.6822 0.7605 0.2088 0.0855 0.0470 1198 GLY A O 9190 N N . ASP B 521 ? 0.7327 0.7098 0.7774 0.2189 0.0863 0.0463 1199 ASP A N 9191 C CA . ASP B 521 ? 0.7629 0.7297 0.8039 0.2291 0.0914 0.0439 1199 ASP A CA 9192 C C . ASP B 521 ? 0.8183 0.7800 0.8541 0.2245 0.0984 0.0388 1199 ASP A C 9193 O O . ASP B 521 ? 0.8361 0.8155 0.8820 0.2223 0.1021 0.0367 1199 ASP A O 9194 C CB . ASP B 521 ? 0.8112 0.7971 0.8678 0.2407 0.0917 0.0444 1199 ASP A CB 9195 C CG . ASP B 521 ? 0.9333 0.9108 0.9872 0.2519 0.0978 0.0414 1199 ASP A CG 9196 O OD1 . ASP B 521 ? 0.9667 0.9190 1.0048 0.2538 0.0992 0.0405 1199 ASP A OD1 9197 O OD2 . ASP B 521 ? 0.9933 0.9895 1.0610 0.2587 0.1014 0.0398 1199 ASP A OD2 9198 N N . LYS B 522 ? 0.8253 0.7625 0.8449 0.2230 0.1001 0.0369 1200 LYS A N 9199 C CA . LYS B 522 ? 0.8134 0.7429 0.8252 0.2188 0.1059 0.0318 1200 LYS A CA 9200 C C . LYS B 522 ? 0.8445 0.7708 0.8555 0.2301 0.1123 0.0279 1200 LYS A C 9201 O O . LYS B 522 ? 0.8712 0.7881 0.8731 0.2284 0.1172 0.0232 1200 LYS A O 9202 C CB . LYS B 522 ? 0.8110 0.7162 0.8062 0.2111 0.1042 0.0310 1200 LYS A CB 9203 C CG . LYS B 522 ? 0.7933 0.6990 0.7880 0.2017 0.0980 0.0353 1200 LYS A CG 9204 C CD . LYS B 522 ? 0.8576 0.7388 0.8372 0.1955 0.0965 0.0350 1200 LYS A CD 9205 C CE . LYS B 522 ? 0.9624 0.8438 0.9416 0.1882 0.0909 0.0401 1200 LYS A CE 9206 N NZ . LYS B 522 ? 1.0370 0.8959 1.0032 0.1816 0.0898 0.0402 1200 LYS A NZ 9207 N N . THR B 523 ? 0.8374 0.7714 0.8574 0.2421 0.1121 0.0297 1201 THR A N 9208 C CA . THR B 523 ? 0.9043 0.8363 0.9245 0.2543 0.1183 0.0262 1201 THR A CA 9209 C C . THR B 523 ? 0.8878 0.8484 0.9263 0.2590 0.1225 0.0258 1201 THR A C 9210 O O . THR B 523 ? 0.9315 0.8941 0.9721 0.2695 0.1285 0.0229 1201 THR A O 9211 C CB . THR B 523 ? 0.9832 0.9005 0.9990 0.2662 0.1157 0.0282 1201 THR A CB 9212 O OG1 . THR B 523 ? 0.9918 0.9243 1.0199 0.2692 0.1097 0.0338 1201 THR A OG1 9213 C CG2 . THR B 523 ? 1.0148 0.9011 1.0116 0.2618 0.1131 0.0281 1201 THR A CG2 9214 N N . HIS B 524 ? 0.8795 0.8620 0.9315 0.2516 0.1196 0.0285 1202 HIS A N 9215 C CA . HIS B 524 ? 0.8417 0.8521 0.9127 0.2547 0.1235 0.0283 1202 HIS A CA 9216 C C . HIS B 524 ? 0.8473 0.8591 0.9148 0.2524 0.1326 0.0239 1202 HIS A C 9217 O O . HIS B 524 ? 0.8471 0.8482 0.9029 0.2422 0.1333 0.0223 1202 HIS A O 9218 C CB . HIS B 524 ? 0.7960 0.8270 0.8808 0.2456 0.1180 0.0317 1202 HIS A CB 9219 C CG . HIS B 524 ? 0.8200 0.8805 0.9270 0.2495 0.1202 0.0324 1202 HIS A CG 9220 N ND1 . HIS B 524 ? 0.8584 0.9332 0.9733 0.2470 0.1281 0.0302 1202 HIS A ND1 9221 C CD2 . HIS B 524 ? 0.8353 0.9144 0.9590 0.2554 0.1153 0.0351 1202 HIS A CD2 9222 C CE1 . HIS B 524 ? 0.8680 0.9691 1.0043 0.2508 0.1283 0.0316 1202 HIS A CE1 9223 N NE2 . HIS B 524 ? 0.8578 0.9624 1.0002 0.2559 0.1203 0.0343 1202 HIS A NE2 9224 N N . PRO B 525 ? 0.8598 0.8847 0.9366 0.2619 0.1397 0.0221 1203 PRO A N 9225 C CA . PRO B 525 ? 0.8560 0.8808 0.9273 0.2607 0.1490 0.0180 1203 PRO A CA 9226 C C . PRO B 525 ? 0.8541 0.8925 0.9305 0.2475 0.1504 0.0190 1203 PRO A C 9227 O O . PRO B 525 ? 0.8690 0.8968 0.9321 0.2415 0.1544 0.0162 1203 PRO A O 9228 C CB . PRO B 525 ? 0.8529 0.8942 0.9376 0.2741 0.1559 0.0171 1203 PRO A CB 9229 C CG . PRO B 525 ? 0.8553 0.8951 0.9455 0.2844 0.1498 0.0194 1203 PRO A CG 9230 C CD . PRO B 525 ? 0.8408 0.8805 0.9329 0.2751 0.1397 0.0236 1203 PRO A CD 9231 N N . GLN B 526 ? 0.8392 0.9005 0.9343 0.2429 0.1468 0.0227 1204 GLN A N 9232 C CA . GLN B 526 ? 0.8117 0.8856 0.9124 0.2305 0.1480 0.0238 1204 GLN A CA 9233 C C . GLN B 526 ? 0.7595 0.8154 0.8444 0.2190 0.1428 0.0238 1204 GLN A C 9234 O O . GLN B 526 ? 0.7688 0.8245 0.8485 0.2103 0.1461 0.0231 1204 GLN A O 9235 C CB . GLN B 526 ? 0.8515 0.9520 0.9756 0.2282 0.1442 0.0273 1204 GLN A CB 9236 C CG . GLN B 526 ? 0.9523 1.0666 1.0839 0.2160 0.1461 0.0286 1204 GLN A CG 9237 C CD . GLN B 526 ? 1.0519 1.1741 1.1853 0.2169 0.1575 0.0270 1204 GLN A CD 9238 O OE1 . GLN B 526 ? 1.0784 1.1993 1.2063 0.2075 0.1607 0.0271 1204 GLN A OE1 9239 N NE2 . GLN B 526 ? 1.1013 1.2317 1.2418 0.2287 0.1639 0.0258 1204 GLN A NE2 9240 N N . PHE B 527 ? 0.7289 0.7698 0.8058 0.2190 0.1351 0.0249 1205 PHE A N 9241 C CA . PHE B 527 ? 0.7048 0.7280 0.7664 0.2089 0.1308 0.0248 1205 PHE A CA 9242 C C . PHE B 527 ? 0.7366 0.7407 0.7799 0.2085 0.1360 0.0204 1205 PHE A C 9243 O O . PHE B 527 ? 0.6868 0.6861 0.7219 0.1990 0.1364 0.0195 1205 PHE A O 9244 C CB . PHE B 527 ? 0.6608 0.6712 0.7173 0.2101 0.1225 0.0270 1205 PHE A CB 9245 C CG . PHE B 527 ? 0.6437 0.6324 0.6828 0.2019 0.1192 0.0263 1205 PHE A CG 9246 C CD1 . PHE B 527 ? 0.6118 0.6039 0.6505 0.1901 0.1156 0.0278 1205 PHE A CD1 9247 C CD2 . PHE B 527 ? 0.6522 0.6172 0.6758 0.2059 0.1196 0.0241 1205 PHE A CD2 9248 C CE1 . PHE B 527 ? 0.6186 0.5925 0.6429 0.1828 0.1126 0.0272 1205 PHE A CE1 9249 C CE2 . PHE B 527 ? 0.6442 0.5906 0.6535 0.1978 0.1165 0.0234 1205 PHE A CE2 9250 C CZ . PHE B 527 ? 0.6239 0.5755 0.6339 0.1864 0.1130 0.0251 1205 PHE A CZ 9251 N N . ARG B 528 ? 0.7828 0.7755 0.8191 0.2192 0.1399 0.0175 1206 ARG A N 9252 C CA . ARG B 528 ? 0.8625 0.8371 0.8809 0.2196 0.1449 0.0126 1206 ARG A CA 9253 C C . ARG B 528 ? 0.8180 0.8049 0.8380 0.2162 0.1523 0.0112 1206 ARG A C 9254 O O . ARG B 528 ? 0.8006 0.7757 0.8061 0.2104 0.1539 0.0084 1206 ARG A O 9255 C CB . ARG B 528 ? 1.0101 0.9719 1.0221 0.2329 0.1482 0.0095 1206 ARG A CB 9256 C CG . ARG B 528 ? 1.1869 1.1289 1.1913 0.2358 0.1414 0.0104 1206 ARG A CG 9257 C CD . ARG B 528 ? 1.3847 1.3103 1.3798 0.2485 0.1453 0.0065 1206 ARG A CD 9258 N NE . ARG B 528 ? 1.5482 1.4493 1.5318 0.2495 0.1395 0.0068 1206 ARG A NE 9259 C CZ . ARG B 528 ? 1.6396 1.5382 1.6282 0.2578 0.1360 0.0100 1206 ARG A CZ 9260 N NH1 . ARG B 528 ? 1.6706 1.5908 1.6762 0.2660 0.1372 0.0128 1206 ARG A NH1 9261 N NH2 . ARG B 528 ? 1.6837 1.5582 1.6605 0.2577 0.1313 0.0107 1206 ARG A NH2 9262 N N . SER B 529 ? 0.7560 0.7669 0.7938 0.2195 0.1569 0.0132 1207 SER A N 9263 C CA . SER B 529 ? 0.7138 0.7377 0.7545 0.2154 0.1644 0.0130 1207 SER A CA 9264 C C . SER B 529 ? 0.7381 0.7634 0.7770 0.2015 0.1605 0.0151 1207 SER A C 9265 O O . SER B 529 ? 0.7457 0.7671 0.7745 0.1966 0.1648 0.0137 1207 SER A O 9266 C CB . SER B 529 ? 0.6867 0.7374 0.7496 0.2208 0.1695 0.0154 1207 SER A CB 9267 O OG . SER B 529 ? 0.7705 0.8208 0.8359 0.2346 0.1730 0.0135 1207 SER A OG 9268 N N . ILE B 530 ? 0.6953 0.7260 0.7432 0.1957 0.1523 0.0186 1208 ILE A N 9269 C CA . ILE B 530 ? 0.6132 0.6446 0.6594 0.1832 0.1481 0.0206 1208 ILE A CA 9270 C C . ILE B 530 ? 0.6230 0.6314 0.6482 0.1784 0.1455 0.0179 1208 ILE A C 9271 O O . ILE B 530 ? 0.6552 0.6617 0.6735 0.1704 0.1463 0.0178 1208 ILE A O 9272 C CB . ILE B 530 ? 0.5823 0.6234 0.6416 0.1794 0.1398 0.0243 1208 ILE A CB 9273 C CG1 . ILE B 530 ? 0.5896 0.6557 0.6710 0.1827 0.1419 0.0266 1208 ILE A CG1 9274 C CG2 . ILE B 530 ? 0.5732 0.6126 0.6292 0.1672 0.1350 0.0260 1208 ILE A CG2 9275 C CD1 . ILE B 530 ? 0.5477 0.6235 0.6415 0.1802 0.1334 0.0297 1208 ILE A CD1 9276 N N . VAL B 531 ? 0.6088 0.5992 0.6236 0.1831 0.1422 0.0158 1209 VAL A N 9277 C CA . VAL B 531 ? 0.5972 0.5657 0.5930 0.1785 0.1396 0.0128 1209 VAL A CA 9278 C C . VAL B 531 ? 0.6813 0.6435 0.6645 0.1801 0.1466 0.0086 1209 VAL A C 9279 O O . VAL B 531 ? 0.7218 0.6747 0.6927 0.1730 0.1454 0.0070 1209 VAL A O 9280 C CB . VAL B 531 ? 0.6231 0.5734 0.6115 0.1835 0.1352 0.0116 1209 VAL A CB 9281 C CG1 . VAL B 531 ? 0.5895 0.5172 0.5588 0.1788 0.1331 0.0078 1209 VAL A CG1 9282 C CG2 . VAL B 531 ? 0.5955 0.5509 0.5939 0.1811 0.1279 0.0162 1209 VAL A CG2 9283 N N . SER B 532 ? 0.7035 0.6706 0.6890 0.1898 0.1540 0.0068 1210 SER A N 9284 C CA . SER B 532 ? 0.7048 0.6670 0.6777 0.1922 0.1615 0.0028 1210 SER A CA 9285 C C . SER B 532 ? 0.6689 0.6441 0.6447 0.1841 0.1646 0.0053 1210 SER A C 9286 O O . SER B 532 ? 0.6646 0.6301 0.6252 0.1798 0.1656 0.0030 1210 SER A O 9287 C CB . SER B 532 ? 0.7750 0.7428 0.7519 0.2048 0.1696 0.0009 1210 SER A CB 9288 O OG . SER B 532 ? 0.9064 0.8580 0.8769 0.2130 0.1672 -0.0021 1210 SER A OG 9289 N N . ALA B 533 ? 0.6357 0.6324 0.6306 0.1818 0.1657 0.0100 1211 ALA A N 9290 C CA . ALA B 533 ? 0.6331 0.6418 0.6318 0.1738 0.1686 0.0129 1211 ALA A CA 9291 C C . ALA B 533 ? 0.7089 0.7078 0.6984 0.1632 0.1614 0.0136 1211 ALA A C 9292 O O . ALA B 533 ? 0.7384 0.7366 0.7201 0.1577 0.1639 0.0140 1211 ALA A O 9293 C CB . ALA B 533 ? 0.4930 0.5257 0.5153 0.1727 0.1698 0.0176 1211 ALA A CB 9294 N N . LEU B 534 ? 0.6713 0.6627 0.6615 0.1605 0.1527 0.0140 1212 LEU A N 9295 C CA . LEU B 534 ? 0.6146 0.5968 0.5965 0.1510 0.1459 0.0144 1212 LEU A CA 9296 C C . LEU B 534 ? 0.6220 0.5851 0.5830 0.1507 0.1459 0.0098 1212 LEU A C 9297 O O . LEU B 534 ? 0.5542 0.5137 0.5067 0.1439 0.1445 0.0098 1212 LEU A O 9298 C CB . LEU B 534 ? 0.5266 0.5059 0.5143 0.1488 0.1374 0.0162 1212 LEU A CB 9299 C CG . LEU B 534 ? 0.4714 0.4417 0.4516 0.1396 0.1304 0.0167 1212 LEU A CG 9300 C CD1 . LEU B 534 ? 0.4597 0.4408 0.4440 0.1320 0.1308 0.0194 1212 LEU A CD1 9301 C CD2 . LEU B 534 ? 0.4647 0.4327 0.4506 0.1387 0.1232 0.0187 1212 LEU A CD2 9302 N N . LYS B 535 ? 0.6860 0.6361 0.6383 0.1582 0.1472 0.0057 1213 LYS A N 9303 C CA . LYS B 535 ? 0.7031 0.6348 0.6352 0.1583 0.1472 0.0004 1213 LYS A CA 9304 C C . LYS B 535 ? 0.7058 0.6414 0.6296 0.1589 0.1544 -0.0007 1213 LYS A C 9305 O O . LYS B 535 ? 0.7135 0.6379 0.6215 0.1553 0.1528 -0.0036 1213 LYS A O 9306 C CB . LYS B 535 ? 0.6635 0.5804 0.5884 0.1670 0.1478 -0.0040 1213 LYS A CB 9307 C CG . LYS B 535 ? 0.6755 0.5807 0.6011 0.1650 0.1399 -0.0038 1213 LYS A CG 9308 C CD . LYS B 535 ? 0.7685 0.6559 0.6842 0.1734 0.1408 -0.0087 1213 LYS A CD 9309 C CE . LYS B 535 ? 0.8367 0.7109 0.7524 0.1712 0.1335 -0.0079 1213 LYS A CE 9310 N NZ . LYS B 535 ? 0.9382 0.7948 0.8456 0.1801 0.1348 -0.0121 1213 LYS A NZ 9311 N N . ARG B 536 ? 0.6880 0.6395 0.6222 0.1635 0.1623 0.0016 1214 ARG A N 9312 C CA . ARG B 536 ? 0.7079 0.6634 0.6341 0.1647 0.1704 0.0012 1214 ARG A CA 9313 C C . ARG B 536 ? 0.6895 0.6481 0.6126 0.1549 0.1682 0.0042 1214 ARG A C 9314 O O . ARG B 536 ? 0.6719 0.6264 0.5810 0.1545 0.1722 0.0030 1214 ARG A O 9315 C CB . ARG B 536 ? 0.7463 0.7207 0.6875 0.1707 0.1795 0.0040 1214 ARG A CB 9316 C CG . ARG B 536 ? 0.8688 0.8394 0.8000 0.1810 0.1887 -0.0001 1214 ARG A CG 9317 C CD . ARG B 536 ? 0.9796 0.9706 0.9299 0.1876 0.1967 0.0029 1214 ARG A CD 9318 N NE . ARG B 536 ? 1.0667 1.0609 1.0312 0.1918 0.1921 0.0032 1214 ARG A NE 9319 C CZ . ARG B 536 ? 1.0601 1.0745 1.0465 0.1946 0.1946 0.0070 1214 ARG A CZ 9320 N NH1 . ARG B 536 ? 1.0548 1.0884 1.0528 0.1928 0.2021 0.0107 1214 ARG A NH1 9321 N NH2 . ARG B 536 ? 1.0281 1.0436 1.0250 0.1990 0.1895 0.0071 1214 ARG A NH2 9322 N N . GLU B 537 ? 0.6826 0.6480 0.6176 0.1474 0.1617 0.0082 1215 GLU A N 9323 C CA . GLU B 537 ? 0.5998 0.5683 0.5335 0.1384 0.1591 0.0115 1215 GLU A CA 9324 C C . GLU B 537 ? 0.5637 0.5165 0.4829 0.1334 0.1511 0.0087 1215 GLU A C 9325 O O . GLU B 537 ? 0.5972 0.5515 0.5146 0.1263 0.1479 0.0112 1215 GLU A O 9326 C CB . GLU B 537 ? 0.6088 0.5923 0.5625 0.1332 0.1560 0.0167 1215 GLU A CB 9327 C CG . GLU B 537 ? 0.6543 0.6560 0.6244 0.1362 0.1634 0.0199 1215 GLU A CG 9328 C CD . GLU B 537 ? 0.6869 0.6955 0.6545 0.1337 0.1709 0.0226 1215 GLU A CD 9329 O OE1 . GLU B 537 ? 0.7164 0.7203 0.6761 0.1269 0.1681 0.0242 1215 GLU A OE1 9330 O OE2 . GLU B 537 ? 0.6813 0.7000 0.6547 0.1387 0.1799 0.0235 1215 GLU A OE2 9331 N N . ALA B 538 ? 0.5982 0.5361 0.5073 0.1367 0.1478 0.0037 1216 ALA A N 9332 C CA . ALA B 538 ? 0.6067 0.5309 0.5047 0.1312 0.1396 0.0012 1216 ALA A CA 9333 C C . ALA B 538 ? 0.6280 0.5465 0.5096 0.1288 0.1403 -0.0006 1216 ALA A C 9334 O O . ALA B 538 ? 0.6680 0.5839 0.5388 0.1341 0.1468 -0.0030 1216 ALA A O 9335 C CB . ALA B 538 ? 0.5856 0.4942 0.4766 0.1353 0.1364 -0.0040 1216 ALA A CB 9336 N N . LEU B 539 ? 0.6047 0.5213 0.4840 0.1213 0.1335 0.0006 1217 LEU A N 9337 C CA . LEU B 539 ? 0.6056 0.5149 0.4684 0.1187 0.1317 -0.0015 1217 LEU A CA 9338 C C . LEU B 539 ? 0.6425 0.5362 0.4946 0.1169 0.1240 -0.0071 1217 LEU A C 9339 O O . LEU B 539 ? 0.6548 0.5458 0.5149 0.1142 0.1185 -0.0072 1217 LEU A O 9340 C CB . LEU B 539 ? 0.5475 0.4655 0.4152 0.1118 0.1291 0.0036 1217 LEU A CB 9341 C CG . LEU B 539 ? 0.5487 0.4818 0.4288 0.1117 0.1358 0.0096 1217 LEU A CG 9342 C CD1 . LEU B 539 ? 0.5451 0.4845 0.4310 0.1046 0.1316 0.0143 1217 LEU A CD1 9343 C CD2 . LEU B 539 ? 0.5281 0.4624 0.3985 0.1165 0.1449 0.0096 1217 LEU A CD2 9344 N N . VAL B 540 ? 0.6708 0.5543 0.5045 0.1183 0.1236 -0.0118 1218 VAL A N 9345 C CA . VAL B 540 ? 0.6889 0.5574 0.5116 0.1161 0.1160 -0.0178 1218 VAL A CA 9346 C C . VAL B 540 ? 0.7105 0.5761 0.5198 0.1123 0.1116 -0.0191 1218 VAL A C 9347 O O . VAL B 540 ? 0.7727 0.6419 0.5732 0.1148 0.1166 -0.0178 1218 VAL A O 9348 C CB . VAL B 540 ? 0.6776 0.5325 0.4891 0.1232 0.1188 -0.0245 1218 VAL A CB 9349 C CG1 . VAL B 540 ? 0.6492 0.5046 0.4739 0.1264 0.1205 -0.0236 1218 VAL A CG1 9350 C CG2 . VAL B 540 ? 0.7386 0.5946 0.5381 0.1303 0.1275 -0.0258 1218 VAL A CG2 9351 N N . LYS B 541 ? 0.6951 0.5549 0.5033 0.1063 0.1025 -0.0214 1219 LYS A N 9352 C CA . LYS B 541 ? 0.7099 0.5647 0.5041 0.1033 0.0967 -0.0243 1219 LYS A CA 9353 C C . LYS B 541 ? 0.7891 0.6274 0.5699 0.1044 0.0923 -0.0328 1219 LYS A C 9354 O O . LYS B 541 ? 0.7666 0.5988 0.5540 0.1011 0.0874 -0.0351 1219 LYS A O 9355 C CB . LYS B 541 ? 0.6861 0.5479 0.4898 0.0955 0.0892 -0.0207 1219 LYS A CB 9356 C CG . LYS B 541 ? 0.6914 0.5672 0.5035 0.0943 0.0925 -0.0133 1219 LYS A CG 9357 C CD . LYS B 541 ? 0.6454 0.5286 0.4712 0.0875 0.0862 -0.0094 1219 LYS A CD 9358 C CE . LYS B 541 ? 0.7078 0.5867 0.5264 0.0830 0.0771 -0.0126 1219 LYS A CE 9359 N NZ . LYS B 541 ? 0.7946 0.6745 0.6002 0.0842 0.0767 -0.0119 1219 LYS A NZ 9360 N N . GLY B 542 ? 0.8104 0.6413 0.5722 0.1091 0.0944 -0.0374 1220 GLY A N 9361 C CA . GLY B 542 ? 0.8275 0.6418 0.5739 0.1110 0.0905 -0.0464 1220 GLY A CA 9362 C C . GLY B 542 ? 0.8634 0.6699 0.6045 0.1194 0.0984 -0.0498 1220 GLY A C 9363 O O . GLY B 542 ? 0.8765 0.6905 0.6298 0.1229 0.1055 -0.0454 1220 GLY A O 9364 N N . ASN B 543 ? 0.8873 0.6784 0.6094 0.1229 0.0966 -0.0582 1221 ASN A N 9365 C CA . ASN B 543 ? 0.8906 0.6709 0.6058 0.1312 0.1028 -0.0632 1221 ASN A CA 9366 C C . ASN B 543 ? 0.9455 0.7054 0.6447 0.1309 0.0957 -0.0734 1221 ASN A C 9367 O O . ASN B 543 ? 1.0454 0.7984 0.7250 0.1327 0.0936 -0.0788 1221 ASN A O 9368 C CB . ASN B 543 ? 0.9329 0.7182 0.6379 0.1401 0.1135 -0.0620 1221 ASN A CB 9369 C CG . ASN B 543 ? 0.9872 0.7636 0.6874 0.1495 0.1209 -0.0664 1221 ASN A CG 9370 O OD1 . ASN B 543 ? 1.0711 0.8316 0.7524 0.1541 0.1200 -0.0749 1221 ASN A OD1 9371 N ND2 . ASN B 543 ? 0.9831 0.7698 0.7004 0.1529 0.1279 -0.0610 1221 ASN A ND2 9372 N N . PRO B 544 ? 0.9293 0.6789 0.6361 0.1286 0.0919 -0.0761 1222 PRO A N 9373 C CA . PRO B 544 ? 0.8919 0.6471 0.6198 0.1270 0.0937 -0.0704 1222 PRO A CA 9374 C C . PRO B 544 ? 0.8362 0.6080 0.5822 0.1187 0.0903 -0.0621 1222 PRO A C 9375 O O . PRO B 544 ? 0.8056 0.5792 0.5498 0.1115 0.0827 -0.0625 1222 PRO A O 9376 C CB . PRO B 544 ? 0.8949 0.6309 0.6204 0.1244 0.0874 -0.0768 1222 PRO A CB 9377 C CG . PRO B 544 ? 0.9188 0.6438 0.6275 0.1203 0.0793 -0.0846 1222 PRO A CG 9378 C CD . PRO B 544 ? 0.9197 0.6489 0.6123 0.1269 0.0844 -0.0860 1222 PRO A CD 9379 N N . PRO B 545 ? 0.7905 0.5746 0.5534 0.1203 0.0957 -0.0548 1223 PRO A N 9380 C CA . PRO B 545 ? 0.7106 0.5119 0.4889 0.1141 0.0941 -0.0468 1223 PRO A CA 9381 C C . PRO B 545 ? 0.6841 0.4830 0.4708 0.1047 0.0849 -0.0464 1223 PRO A C 9382 O O . PRO B 545 ? 0.6373 0.4267 0.4289 0.1034 0.0825 -0.0479 1223 PRO A O 9383 C CB . PRO B 545 ? 0.6861 0.4981 0.4797 0.1186 0.1016 -0.0407 1223 PRO A CB 9384 C CG . PRO B 545 ? 0.7437 0.5421 0.5342 0.1247 0.1039 -0.0451 1223 PRO A CG 9385 C CD . PRO B 545 ? 0.7991 0.5818 0.5683 0.1280 0.1030 -0.0539 1223 PRO A CD 9386 N N . ILE B 546 ? 0.6690 0.4765 0.4571 0.0985 0.0798 -0.0441 1224 ILE A N 9387 C CA . ILE B 546 ? 0.6832 0.4934 0.4829 0.0897 0.0724 -0.0419 1224 ILE A CA 9388 C C . ILE B 546 ? 0.6968 0.5217 0.5151 0.0884 0.0753 -0.0335 1224 ILE A C 9389 O O . ILE B 546 ? 0.7406 0.5657 0.5705 0.0838 0.0721 -0.0311 1224 ILE A O 9390 C CB . ILE B 546 ? 0.6882 0.5012 0.4817 0.0840 0.0651 -0.0437 1224 ILE A CB 9391 C CG1 . ILE B 546 ? 0.7381 0.5357 0.5131 0.0849 0.0608 -0.0528 1224 ILE A CG1 9392 C CG2 . ILE B 546 ? 0.6084 0.4271 0.4160 0.0752 0.0582 -0.0406 1224 ILE A CG2 9393 C CD1 . ILE B 546 ? 0.7784 0.5789 0.5469 0.0797 0.0527 -0.0550 1224 ILE A CD1 9394 N N . TYR B 547 ? 0.6974 0.5344 0.5184 0.0922 0.0814 -0.0288 1225 TYR A N 9395 C CA . TYR B 547 ? 0.6829 0.5337 0.5208 0.0911 0.0840 -0.0214 1225 TYR A CA 9396 C C . TYR B 547 ? 0.6879 0.5434 0.5294 0.0985 0.0927 -0.0191 1225 TYR A C 9397 O O . TYR B 547 ? 0.7240 0.5768 0.5548 0.1043 0.0980 -0.0217 1225 TYR A O 9398 C CB . TYR B 547 ? 0.6646 0.5281 0.5062 0.0870 0.0821 -0.0169 1225 TYR A CB 9399 C CG . TYR B 547 ? 0.6864 0.5486 0.5269 0.0799 0.0736 -0.0182 1225 TYR A CG 9400 C CD1 . TYR B 547 ? 0.6759 0.5433 0.5298 0.0743 0.0694 -0.0149 1225 TYR A CD1 9401 C CD2 . TYR B 547 ? 0.6892 0.5459 0.5155 0.0792 0.0697 -0.0228 1225 TYR A CD2 9402 C CE1 . TYR B 547 ? 0.6817 0.5497 0.5361 0.0680 0.0620 -0.0160 1225 TYR A CE1 9403 C CE2 . TYR B 547 ? 0.6790 0.5363 0.5057 0.0729 0.0614 -0.0241 1225 TYR A CE2 9404 C CZ . TYR B 547 ? 0.6573 0.5207 0.4987 0.0672 0.0578 -0.0207 1225 TYR A CZ 9405 O OH . TYR B 547 ? 0.6337 0.4990 0.4767 0.0611 0.0500 -0.0219 1225 TYR A OH 9406 N N . ARG B 548 ? 0.6371 0.5006 0.4940 0.0985 0.0943 -0.0142 1226 ARG A N 9407 C CA . ARG B 548 ? 0.6298 0.5018 0.4939 0.1047 0.1018 -0.0111 1226 ARG A CA 9408 C C . ARG B 548 ? 0.6235 0.5102 0.5040 0.1013 0.1013 -0.0043 1226 ARG A C 9409 O O . ARG B 548 ? 0.6723 0.5589 0.5608 0.0974 0.0966 -0.0025 1226 ARG A O 9410 C CB . ARG B 548 ? 0.6174 0.4806 0.4821 0.1109 0.1045 -0.0136 1226 ARG A CB 9411 C CG . ARG B 548 ? 0.6618 0.5318 0.5288 0.1192 0.1132 -0.0127 1226 ARG A CG 9412 C CD . ARG B 548 ? 0.6750 0.5389 0.5461 0.1258 0.1154 -0.0139 1226 ARG A CD 9413 N NE . ARG B 548 ? 0.7510 0.5959 0.6121 0.1254 0.1110 -0.0192 1226 ARG A NE 9414 C CZ . ARG B 548 ? 0.7529 0.5842 0.5985 0.1294 0.1124 -0.0258 1226 ARG A CZ 9415 N NH1 . ARG B 548 ? 0.6972 0.5323 0.5349 0.1345 0.1186 -0.0275 1226 ARG A NH1 9416 N NH2 . ARG B 548 ? 0.8345 0.6478 0.6720 0.1281 0.1077 -0.0307 1226 ARG A NH2 9417 N N . PHE B 549 ? 0.5654 0.4643 0.4503 0.1027 0.1063 -0.0007 1227 PHE A N 9418 C CA . PHE B 549 ? 0.6101 0.5226 0.5095 0.0993 0.1056 0.0051 1227 PHE A CA 9419 C C . PHE B 549 ? 0.6461 0.5701 0.5525 0.1035 0.1131 0.0080 1227 PHE A C 9420 O O . PHE B 549 ? 0.6290 0.5509 0.5290 0.1091 0.1191 0.0058 1227 PHE A O 9421 C CB . PHE B 549 ? 0.5926 0.5081 0.4902 0.0927 0.1008 0.0068 1227 PHE A CB 9422 C CG . PHE B 549 ? 0.6515 0.5664 0.5373 0.0931 0.1033 0.0060 1227 PHE A CG 9423 C CD1 . PHE B 549 ? 0.7203 0.6237 0.5901 0.0942 0.1018 0.0008 1227 PHE A CD1 9424 C CD2 . PHE B 549 ? 0.6404 0.5656 0.5302 0.0923 0.1070 0.0104 1227 PHE A CD2 9425 C CE1 . PHE B 549 ? 0.6872 0.5898 0.5446 0.0952 0.1040 0.0002 1227 PHE A CE1 9426 C CE2 . PHE B 549 ? 0.6764 0.6002 0.5543 0.0929 0.1096 0.0103 1227 PHE A CE2 9427 C CZ . PHE B 549 ? 0.6557 0.5684 0.5170 0.0946 0.1081 0.0054 1227 PHE A CZ 9428 N N . TRP B 550 ? 0.6352 0.5715 0.5550 0.1007 0.1128 0.0129 1228 TRP A N 9429 C CA . TRP B 550 ? 0.6018 0.5506 0.5312 0.1034 0.1193 0.0160 1228 TRP A CA 9430 C C . TRP B 550 ? 0.6330 0.5909 0.5671 0.0981 0.1191 0.0202 1228 TRP A C 9431 O O . TRP B 550 ? 0.5974 0.5557 0.5341 0.0928 0.1132 0.0218 1228 TRP A O 9432 C CB . TRP B 550 ? 0.5387 0.4943 0.4825 0.1065 0.1194 0.0176 1228 TRP A CB 9433 C CG . TRP B 550 ? 0.5625 0.5116 0.5030 0.1140 0.1227 0.0143 1228 TRP A CG 9434 C CD1 . TRP B 550 ? 0.4762 0.4310 0.4198 0.1205 0.1300 0.0139 1228 TRP A CD1 9435 C CD2 . TRP B 550 ? 0.5109 0.4458 0.4442 0.1158 0.1189 0.0107 1228 TRP A CD2 9436 N NE1 . TRP B 550 ? 0.5171 0.4620 0.4554 0.1270 0.1309 0.0102 1228 TRP A NE1 9437 C CE2 . TRP B 550 ? 0.5153 0.4471 0.4470 0.1240 0.1241 0.0082 1228 TRP A CE2 9438 C CE3 . TRP B 550 ? 0.4783 0.4030 0.4070 0.1112 0.1119 0.0096 1228 TRP A CE3 9439 C CZ2 . TRP B 550 ? 0.5133 0.4306 0.4381 0.1278 0.1222 0.0045 1228 TRP A CZ2 9440 C CZ3 . TRP B 550 ? 0.5097 0.4207 0.4322 0.1142 0.1102 0.0062 1228 TRP A CZ3 9441 C CH2 . TRP B 550 ? 0.5300 0.4366 0.4502 0.1225 0.1152 0.0036 1228 TRP A CH2 9442 N N . LYS B 551 ? 0.7113 0.6760 0.6461 0.0996 0.1260 0.0221 1229 LYS A N 9443 C CA . LYS B 551 ? 0.7015 0.6752 0.6423 0.0950 0.1274 0.0266 1229 LYS A CA 9444 C C . LYS B 551 ? 0.7279 0.7152 0.6871 0.0953 0.1298 0.0296 1229 LYS A C 9445 O O . LYS B 551 ? 0.8216 0.8132 0.7865 0.1006 0.1341 0.0286 1229 LYS A O 9446 C CB . LYS B 551 ? 0.7621 0.7344 0.6918 0.0963 0.1340 0.0272 1229 LYS A CB 9447 C CG . LYS B 551 ? 0.8238 0.8060 0.7610 0.0929 0.1384 0.0323 1229 LYS A CG 9448 C CD . LYS B 551 ? 0.8309 0.8166 0.7645 0.0969 0.1486 0.0333 1229 LYS A CD 9449 C CE . LYS B 551 ? 0.8198 0.7935 0.7329 0.1013 0.1504 0.0294 1229 LYS A CE 9450 N NZ . LYS B 551 ? 0.7961 0.7734 0.7047 0.1059 0.1611 0.0303 1229 LYS A NZ 9451 N N . ASP B 552 ? 0.7089 0.7030 0.6777 0.0900 0.1265 0.0329 1230 ASP A N 9452 C CA . ASP B 552 ? 0.6904 0.6970 0.6770 0.0898 0.1269 0.0351 1230 ASP A CA 9453 C C . ASP B 552 ? 0.6871 0.7047 0.6819 0.0909 0.1352 0.0374 1230 ASP A C 9454 O O . ASP B 552 ? 0.6631 0.6920 0.6730 0.0924 0.1365 0.0384 1230 ASP A O 9455 C CB . ASP B 552 ? 0.6774 0.6871 0.6711 0.0838 0.1204 0.0372 1230 ASP A CB 9456 C CG . ASP B 552 ? 0.6795 0.6878 0.6682 0.0787 0.1211 0.0397 1230 ASP A CG 9457 O OD1 . ASP B 552 ? 0.7661 0.7646 0.7406 0.0782 0.1201 0.0387 1230 ASP A OD1 9458 O OD2 . ASP B 552 ? 0.6109 0.6275 0.6102 0.0752 0.1223 0.0426 1230 ASP A OD2 9459 N N . ASN B 553 ? 0.7104 0.7252 0.6956 0.0902 0.1409 0.0386 1231 ASN A N 9460 C CA . ASN B 553 ? 0.7290 0.7539 0.7212 0.0915 0.1501 0.0411 1231 ASN A CA 9461 C C . ASN B 553 ? 0.6525 0.6761 0.6390 0.0994 0.1564 0.0382 1231 ASN A C 9462 O O . ASN B 553 ? 0.7003 0.7115 0.6711 0.1028 0.1552 0.0346 1231 ASN A O 9463 C CB . ASN B 553 ? 0.8416 0.8641 0.8258 0.0872 0.1540 0.0445 1231 ASN A CB 9464 C CG . ASN B 553 ? 0.9592 0.9916 0.9581 0.0808 0.1542 0.0488 1231 ASN A CG 9465 O OD1 . ASN B 553 ? 0.9995 1.0437 1.0161 0.0803 0.1539 0.0494 1231 ASN A OD1 9466 N ND2 . ASN B 553 ? 1.0645 1.0917 1.0562 0.0759 0.1543 0.0518 1231 ASN A ND2 9467 N N . LEU B 554 ? 0.5927 0.6295 0.5925 0.1022 0.1633 0.0397 1232 LEU A N 9468 C CA . LEU B 554 ? 0.6208 0.6576 0.6161 0.1104 0.1705 0.0372 1232 LEU A CA 9469 C C . LEU B 554 ? 0.6444 0.6740 0.6222 0.1117 0.1777 0.0374 1232 LEU A C 9470 O O . LEU B 554 ? 0.6147 0.6454 0.5900 0.1064 0.1802 0.0412 1232 LEU A O 9471 C CB . LEU B 554 ? 0.6118 0.6665 0.6273 0.1133 0.1762 0.0390 1232 LEU A CB 9472 C CG . LEU B 554 ? 0.6327 0.6935 0.6626 0.1160 0.1701 0.0376 1232 LEU A CG 9473 C CD1 . LEU B 554 ? 0.6656 0.7457 0.7159 0.1192 0.1760 0.0393 1232 LEU A CD1 9474 C CD2 . LEU B 554 ? 0.6382 0.6855 0.6557 0.1229 0.1671 0.0328 1232 LEU A CD2 9475 N N . GLN B 555 ? 0.6886 0.7101 0.6535 0.1192 0.1810 0.0332 1233 GLN A N 9476 C CA . GLN B 555 ? 0.7192 0.7322 0.6645 0.1214 0.1872 0.0325 1233 GLN A CA 9477 C C . GLN B 555 ? 0.7542 0.7796 0.7056 0.1213 0.1985 0.0373 1233 GLN A C 9478 O O . GLN B 555 ? 0.7932 0.8147 0.7333 0.1182 0.2020 0.0402 1233 GLN A O 9479 C CB . GLN B 555 ? 0.7876 0.7896 0.7187 0.1300 0.1886 0.0264 1233 GLN A CB 9480 C CG . GLN B 555 ? 0.8822 0.8763 0.7926 0.1338 0.1957 0.0251 1233 GLN A CG 9481 C CD . GLN B 555 ? 0.9371 0.9178 0.8290 0.1290 0.1897 0.0246 1233 GLN A CD 9482 O OE1 . GLN B 555 ? 0.9560 0.9315 0.8493 0.1237 0.1798 0.0240 1233 GLN A OE1 9483 N NE2 . GLN B 555 ? 0.9570 0.9324 0.8312 0.1312 0.1958 0.0248 1233 GLN A NE2 9484 N N . HIS B 556 ? 0.7998 0.8404 0.7692 0.1246 0.2044 0.0385 1234 HIS A N 9485 C CA . HIS B 556 ? 0.8480 0.9018 0.8248 0.1244 0.2160 0.0431 1234 HIS A CA 9486 C C . HIS B 556 ? 0.7910 0.8518 0.7780 0.1144 0.2155 0.0493 1234 HIS A C 9487 O O . HIS B 556 ? 0.7836 0.8528 0.7741 0.1127 0.2252 0.0540 1234 HIS A O 9488 C CB . HIS B 556 ? 0.9609 1.0311 0.9572 0.1303 0.2216 0.0428 1234 HIS A CB 9489 C CG . HIS B 556 ? 1.0617 1.1475 1.0839 0.1249 0.2172 0.0456 1234 HIS A CG 9490 N ND1 . HIS B 556 ? 1.1198 1.2210 1.1585 0.1187 0.2225 0.0512 1234 HIS A ND1 9491 C CD2 . HIS B 556 ? 1.0935 1.1815 1.1274 0.1249 0.2078 0.0436 1234 HIS A CD2 9492 C CE1 . HIS B 556 ? 1.1202 1.2326 1.1799 0.1149 0.2161 0.0520 1234 HIS A CE1 9493 N NE2 . HIS B 556 ? 1.1073 1.2121 1.1639 0.1189 0.2072 0.0475 1234 HIS A NE2 9494 N N . LYS B 557 ? 0.8082 0.8653 0.7996 0.1080 0.2049 0.0495 1235 LYS A N 9495 C CA . LYS B 557 ? 0.8294 0.8899 0.8279 0.0986 0.2034 0.0547 1235 LYS A CA 9496 C C . LYS B 557 ? 0.8100 0.8546 0.7879 0.0952 0.1998 0.0556 1235 LYS A C 9497 O O . LYS B 557 ? 0.8187 0.8639 0.7966 0.0892 0.2025 0.0606 1235 LYS A O 9498 C CB . LYS B 557 ? 0.9163 0.9837 0.9335 0.0939 0.1941 0.0545 1235 LYS A CB 9499 C CG . LYS B 557 ? 0.9873 1.0709 1.0257 0.0975 0.1957 0.0536 1235 LYS A CG 9500 C CD . LYS B 557 ? 1.0582 1.1443 1.1088 0.0951 0.1846 0.0518 1235 LYS A CD 9501 C CE . LYS B 557 ? 1.1170 1.2056 1.1760 0.0854 0.1799 0.0552 1235 LYS A CE 9502 N NZ . LYS B 557 ? 1.1827 1.2875 1.2602 0.0811 0.1868 0.0594 1235 LYS A NZ 9503 N N . ASP B 558 ? 0.8265 0.8570 0.7871 0.0988 0.1938 0.0508 1236 ASP A N 9504 C CA . ASP B 558 ? 0.8568 0.8729 0.7985 0.0960 0.1889 0.0510 1236 ASP A CA 9505 C C . ASP B 558 ? 0.8432 0.8462 0.7651 0.1024 0.1866 0.0451 1236 ASP A C 9506 O O . ASP B 558 ? 0.8818 0.8813 0.8057 0.1045 0.1798 0.0404 1236 ASP A O 9507 C CB . ASP B 558 ? 0.9011 0.9154 0.8502 0.0894 0.1783 0.0516 1236 ASP A CB 9508 C CG . ASP B 558 ? 0.9750 0.9759 0.9063 0.0869 0.1728 0.0518 1236 ASP A CG 9509 O OD1 . ASP B 558 ? 0.9551 0.9508 0.8723 0.0874 0.1782 0.0543 1236 ASP A OD1 9510 O OD2 . ASP B 558 ? 1.0184 1.0142 0.9499 0.0846 0.1631 0.0496 1236 ASP A OD2 9511 N N . SER B 559 ? 0.8185 0.8138 0.7211 0.1053 0.1920 0.0452 1237 SER A N 9512 C CA . SER B 559 ? 0.8329 0.8155 0.7156 0.1116 0.1903 0.0391 1237 SER A CA 9513 C C . SER B 559 ? 0.8369 0.8059 0.7035 0.1088 0.1807 0.0371 1237 SER A C 9514 O O . SER B 559 ? 0.8426 0.8003 0.6927 0.1130 0.1777 0.0316 1237 SER A O 9515 C CB . SER B 559 ? 0.8582 0.8400 0.7272 0.1176 0.2016 0.0395 1237 SER A CB 9516 O OG . SER B 559 ? 0.9156 0.8951 0.7743 0.1142 0.2052 0.0449 1237 SER A OG 9517 N N . SER B 560 ? 0.8213 0.7911 0.6925 0.1020 0.1757 0.0413 1238 SER A N 9518 C CA . SER B 560 ? 0.8056 0.7643 0.6631 0.0996 0.1666 0.0398 1238 SER A CA 9519 C C . SER B 560 ? 0.7605 0.7159 0.6237 0.0985 0.1564 0.0349 1238 SER A C 9520 O O . SER B 560 ? 0.7186 0.6815 0.5994 0.0971 0.1548 0.0349 1238 SER A O 9521 C CB . SER B 560 ? 0.8299 0.7903 0.6905 0.0935 0.1653 0.0460 1238 SER A CB 9522 O OG . SER B 560 ? 0.8428 0.8134 0.7255 0.0888 0.1640 0.0488 1238 SER A OG 9523 N N . VAL B 561 ? 0.7627 0.7070 0.6105 0.0991 0.1493 0.0308 1239 VAL A N 9524 C CA . VAL B 561 ? 0.7294 0.6691 0.5802 0.0979 0.1400 0.0260 1239 VAL A CA 9525 C C . VAL B 561 ? 0.7529 0.6920 0.6062 0.0921 0.1316 0.0282 1239 VAL A C 9526 O O . VAL B 561 ? 0.8032 0.7375 0.6436 0.0913 0.1299 0.0295 1239 VAL A O 9527 C CB . VAL B 561 ? 0.7457 0.6734 0.5789 0.1022 0.1375 0.0192 1239 VAL A CB 9528 C CG1 . VAL B 561 ? 0.7769 0.6998 0.6144 0.1001 0.1281 0.0148 1239 VAL A CG1 9529 C CG2 . VAL B 561 ? 0.7167 0.6442 0.5459 0.1090 0.1463 0.0168 1239 VAL A CG2 9530 N N . PRO B 562 ? 0.7321 0.6760 0.6008 0.0885 0.1263 0.0286 1240 PRO A N 9531 C CA . PRO B 562 ? 0.7190 0.6630 0.5904 0.0836 0.1189 0.0306 1240 PRO A CA 9532 C C . PRO B 562 ? 0.7860 0.7209 0.6441 0.0834 0.1112 0.0265 1240 PRO A C 9533 O O . PRO B 562 ? 0.8103 0.7392 0.6625 0.0857 0.1092 0.0212 1240 PRO A O 9534 C CB . PRO B 562 ? 0.6841 0.6348 0.5738 0.0810 0.1157 0.0310 1240 PRO A CB 9535 C CG . PRO B 562 ? 0.6914 0.6478 0.5898 0.0843 0.1225 0.0309 1240 PRO A CG 9536 C CD . PRO B 562 ? 0.7301 0.6799 0.6141 0.0894 0.1272 0.0276 1240 PRO A CD 9537 N N . ASN B 563 ? 0.8232 0.7572 0.6773 0.0807 0.1067 0.0289 1241 ASN A N 9538 C CA . ASN B 563 ? 0.8824 0.8100 0.7257 0.0801 0.0986 0.0254 1241 ASN A CA 9539 C C . ASN B 563 ? 0.8354 0.7657 0.6900 0.0763 0.0908 0.0243 1241 ASN A C 9540 O O . ASN B 563 ? 0.8698 0.7957 0.7189 0.0755 0.0841 0.0203 1241 ASN A O 9541 C CB . ASN B 563 ? 1.0228 0.9478 0.8539 0.0804 0.0978 0.0286 1241 ASN A CB 9542 C CG . ASN B 563 ? 1.2310 1.1511 1.0461 0.0847 0.1047 0.0288 1241 ASN A CG 9543 O OD1 . ASN B 563 ? 1.3564 1.2693 1.1561 0.0875 0.1023 0.0244 1241 ASN A OD1 9544 N ND2 . ASN B 563 ? 1.2832 1.2074 1.1020 0.0852 0.1133 0.0339 1241 ASN A ND2 9545 N N . THR B 564 ? 0.7576 0.6951 0.6276 0.0738 0.0913 0.0277 1242 THR A N 9546 C CA . THR B 564 ? 0.7004 0.6410 0.5814 0.0706 0.0851 0.0270 1242 THR A CA 9547 C C . THR B 564 ? 0.6589 0.6052 0.5544 0.0703 0.0883 0.0281 1242 THR A C 9548 O O . THR B 564 ? 0.6353 0.5855 0.5352 0.0715 0.0945 0.0306 1242 THR A O 9549 C CB . THR B 564 ? 0.6950 0.6389 0.5790 0.0680 0.0806 0.0302 1242 THR A CB 9550 O OG1 . THR B 564 ? 0.6879 0.6359 0.5775 0.0675 0.0853 0.0349 1242 THR A OG1 9551 C CG2 . THR B 564 ? 0.7846 0.7236 0.6546 0.0687 0.0765 0.0292 1242 THR A CG2 9552 N N . GLY B 565 ? 0.6577 0.6048 0.5609 0.0686 0.0838 0.0263 1243 GLY A N 9553 C CA . GLY B 565 ? 0.6541 0.6061 0.5699 0.0689 0.0858 0.0272 1243 GLY A CA 9554 C C . GLY B 565 ? 0.6438 0.6035 0.5706 0.0667 0.0857 0.0313 1243 GLY A C 9555 O O . GLY B 565 ? 0.6694 0.6302 0.5954 0.0645 0.0826 0.0331 1243 GLY A O 9556 N N . THR B 566 ? 0.6389 0.6040 0.5761 0.0676 0.0888 0.0324 1244 THR A N 9557 C CA . THR B 566 ? 0.6344 0.6068 0.5831 0.0656 0.0882 0.0354 1244 THR A CA 9558 C C . THR B 566 ? 0.6223 0.5980 0.5805 0.0663 0.0864 0.0347 1244 THR A C 9559 O O . THR B 566 ? 0.6086 0.5803 0.5646 0.0684 0.0863 0.0323 1244 THR A O 9560 C CB . THR B 566 ? 0.6459 0.6232 0.5986 0.0657 0.0939 0.0382 1244 THR A CB 9561 O OG1 . THR B 566 ? 0.6419 0.6216 0.5979 0.0689 0.0990 0.0372 1244 THR A OG1 9562 C CG2 . THR B 566 ? 0.6242 0.5972 0.5660 0.0652 0.0961 0.0396 1244 THR A CG2 9563 N N . ALA B 567 ? 0.5669 0.5490 0.5351 0.0648 0.0850 0.0368 1245 ALA A N 9564 C CA . ALA B 567 ? 0.5057 0.4912 0.4822 0.0659 0.0831 0.0365 1245 ALA A CA 9565 C C . ALA B 567 ? 0.4592 0.4474 0.4403 0.0695 0.0874 0.0360 1245 ALA A C 9566 O O . ALA B 567 ? 0.4889 0.4751 0.4711 0.0721 0.0866 0.0348 1245 ALA A O 9567 C CB . ALA B 567 ? 0.3652 0.3569 0.3501 0.0637 0.0803 0.0384 1245 ALA A CB 9568 N N . ARG B 568 ? 0.4837 0.4765 0.4677 0.0700 0.0924 0.0371 1246 ARG A N 9569 C CA . ARG B 568 ? 0.5300 0.5269 0.5193 0.0739 0.0970 0.0367 1246 ARG A CA 9570 C C . ARG B 568 ? 0.5641 0.5529 0.5436 0.0777 0.0993 0.0339 1246 ARG A C 9571 O O . ARG B 568 ? 0.5835 0.5729 0.5662 0.0819 0.1010 0.0327 1246 ARG A O 9572 C CB . ARG B 568 ? 0.5566 0.5607 0.5512 0.0731 0.1025 0.0387 1246 ARG A CB 9573 C CG . ARG B 568 ? 0.6106 0.6233 0.6171 0.0696 0.1006 0.0409 1246 ARG A CG 9574 C CD . ARG B 568 ? 0.6523 0.6742 0.6719 0.0720 0.1002 0.0408 1246 ARG A CD 9575 N NE . ARG B 568 ? 0.7047 0.7351 0.7359 0.0683 0.0984 0.0424 1246 ARG A NE 9576 C CZ . ARG B 568 ? 0.7115 0.7506 0.7523 0.0668 0.1027 0.0440 1246 ARG A CZ 9577 N NH1 . ARG B 568 ? 0.7085 0.7497 0.7488 0.0694 0.1098 0.0443 1246 ARG A NH1 9578 N NH2 . ARG B 568 ? 0.7183 0.7641 0.7695 0.0628 0.1002 0.0450 1246 ARG A NH2 9579 N N . MET B 569 ? 0.5378 0.5187 0.5050 0.0765 0.0990 0.0326 1247 MET A N 9580 C CA . MET B 569 ? 0.5533 0.5251 0.5098 0.0796 0.1003 0.0293 1247 MET A CA 9581 C C . MET B 569 ? 0.5351 0.5014 0.4920 0.0803 0.0958 0.0274 1247 MET A C 9582 O O . MET B 569 ? 0.5689 0.5310 0.5245 0.0845 0.0977 0.0254 1247 MET A O 9583 C CB . MET B 569 ? 0.6004 0.5654 0.5437 0.0777 0.0995 0.0282 1247 MET A CB 9584 C CG . MET B 569 ? 0.6639 0.6250 0.5971 0.0811 0.1052 0.0266 1247 MET A CG 9585 S SD . MET B 569 ? 0.6852 0.6413 0.6043 0.0787 0.1043 0.0270 1247 MET A SD 9586 C CE . MET B 569 ? 0.6325 0.5985 0.5617 0.0755 0.1066 0.0326 1247 MET A CE 9587 N N . VAL B 570 ? 0.4911 0.4569 0.4495 0.0765 0.0903 0.0283 1248 VAL A N 9588 C CA . VAL B 570 ? 0.4910 0.4516 0.4498 0.0764 0.0864 0.0273 1248 VAL A CA 9589 C C . VAL B 570 ? 0.5352 0.5004 0.5037 0.0797 0.0872 0.0287 1248 VAL A C 9590 O O . VAL B 570 ? 0.5768 0.5357 0.5440 0.0821 0.0865 0.0276 1248 VAL A O 9591 C CB . VAL B 570 ? 0.4562 0.4170 0.4151 0.0716 0.0810 0.0283 1248 VAL A CB 9592 C CG1 . VAL B 570 ? 0.3965 0.3526 0.3567 0.0711 0.0777 0.0281 1248 VAL A CG1 9593 C CG2 . VAL B 570 ? 0.4018 0.3581 0.3509 0.0692 0.0797 0.0267 1248 VAL A CG2 9594 N N . GLU B 571 ? 0.4771 0.4527 0.4551 0.0798 0.0884 0.0311 1249 GLU A N 9595 C CA . GLU B 571 ? 0.4932 0.4741 0.4806 0.0831 0.0881 0.0324 1249 GLU A CA 9596 C C . GLU B 571 ? 0.5470 0.5277 0.5354 0.0889 0.0929 0.0311 1249 GLU A C 9597 O O . GLU B 571 ? 0.5843 0.5626 0.5748 0.0930 0.0923 0.0309 1249 GLU A O 9598 C CB . GLU B 571 ? 0.4774 0.4698 0.4751 0.0812 0.0871 0.0349 1249 GLU A CB 9599 C CG . GLU B 571 ? 0.5073 0.5059 0.5145 0.0841 0.0851 0.0361 1249 GLU A CG 9600 C CD . GLU B 571 ? 0.5726 0.5818 0.5894 0.0817 0.0830 0.0378 1249 GLU A CD 9601 O OE1 . GLU B 571 ? 0.5473 0.5576 0.5628 0.0772 0.0827 0.0383 1249 GLU A OE1 9602 O OE2 . GLU B 571 ? 0.6166 0.6328 0.6420 0.0843 0.0814 0.0386 1249 GLU A OE2 9603 N N . THR B 572 ? 0.5099 0.4928 0.4962 0.0898 0.0980 0.0303 1250 THR A N 9604 C CA . THR B 572 ? 0.5012 0.4836 0.4872 0.0959 0.1033 0.0287 1250 THR A CA 9605 C C . THR B 572 ? 0.5379 0.5063 0.5129 0.0987 0.1027 0.0254 1250 THR A C 9606 O O . THR B 572 ? 0.5606 0.5260 0.5371 0.1041 0.1037 0.0245 1250 THR A O 9607 C CB . THR B 572 ? 0.5444 0.5312 0.5285 0.0959 0.1094 0.0287 1250 THR A CB 9608 O OG1 . THR B 572 ? 0.5885 0.5874 0.5834 0.0924 0.1098 0.0318 1250 THR A OG1 9609 C CG2 . THR B 572 ? 0.4831 0.4712 0.4680 0.1029 0.1157 0.0271 1250 THR A CG2 9610 N N . THR B 573 ? 0.5208 0.4800 0.4845 0.0950 0.1007 0.0236 1251 THR A N 9611 C CA . THR B 573 ? 0.5472 0.4923 0.5004 0.0964 0.0993 0.0200 1251 THR A CA 9612 C C . THR B 573 ? 0.4767 0.4173 0.4337 0.0967 0.0952 0.0210 1251 THR A C 9613 O O . THR B 573 ? 0.4567 0.3876 0.4097 0.1007 0.0958 0.0189 1251 THR A O 9614 C CB . THR B 573 ? 0.5474 0.4855 0.4898 0.0914 0.0965 0.0181 1251 THR A CB 9615 O OG1 . THR B 573 ? 0.6265 0.5680 0.5639 0.0918 0.1006 0.0177 1251 THR A OG1 9616 C CG2 . THR B 573 ? 0.4542 0.3775 0.3860 0.0923 0.0947 0.0138 1251 THR A CG2 9617 N N . ALA B 574 ? 0.4441 0.3909 0.4083 0.0929 0.0913 0.0242 1252 ALA A N 9618 C CA . ALA B 574 ? 0.4226 0.3657 0.3899 0.0933 0.0878 0.0259 1252 ALA A CA 9619 C C . ALA B 574 ? 0.4553 0.4014 0.4292 0.1001 0.0899 0.0270 1252 ALA A C 9620 O O . ALA B 574 ? 0.4335 0.3702 0.4047 0.1033 0.0892 0.0267 1252 ALA A O 9621 C CB . ALA B 574 ? 0.4101 0.3603 0.3829 0.0884 0.0837 0.0291 1252 ALA A CB 9622 N N . TYR B 575 ? 0.4753 0.4344 0.4582 0.1025 0.0924 0.0283 1253 TYR A N 9623 C CA . TYR B 575 ? 0.5413 0.5051 0.5316 0.1096 0.0943 0.0292 1253 TYR A CA 9624 C C . TYR B 575 ? 0.5749 0.5288 0.5584 0.1156 0.0983 0.0260 1253 TYR A C 9625 O O . TYR B 575 ? 0.5525 0.5012 0.5367 0.1213 0.0980 0.0262 1253 TYR A O 9626 C CB . TYR B 575 ? 0.5579 0.5383 0.5599 0.1103 0.0965 0.0307 1253 TYR A CB 9627 C CG . TYR B 575 ? 0.5581 0.5481 0.5682 0.1061 0.0920 0.0336 1253 TYR A CG 9628 C CD1 . TYR B 575 ? 0.5886 0.5748 0.5980 0.1054 0.0869 0.0353 1253 TYR A CD1 9629 C CD2 . TYR B 575 ? 0.5331 0.5352 0.5509 0.1027 0.0930 0.0345 1253 TYR A CD2 9630 C CE1 . TYR B 575 ? 0.5687 0.5631 0.5842 0.1021 0.0828 0.0375 1253 TYR A CE1 9631 C CE2 . TYR B 575 ? 0.5347 0.5443 0.5590 0.0990 0.0885 0.0365 1253 TYR A CE2 9632 C CZ . TYR B 575 ? 0.5746 0.5804 0.5974 0.0990 0.0834 0.0378 1253 TYR A CZ 9633 O OH . TYR B 575 ? 0.6660 0.6788 0.6940 0.0958 0.0790 0.0393 1253 TYR A OH 9634 N N . ALA B 576 ? 0.6192 0.5697 0.5952 0.1150 0.1021 0.0230 1254 ALA A N 9635 C CA . ALA B 576 ? 0.5609 0.5011 0.5289 0.1211 0.1060 0.0193 1254 ALA A CA 9636 C C . ALA B 576 ? 0.5617 0.4842 0.5202 0.1207 0.1025 0.0175 1254 ALA A C 9637 O O . ALA B 576 ? 0.5205 0.4338 0.4761 0.1270 0.1040 0.0158 1254 ALA A O 9638 C CB . ALA B 576 ? 0.5891 0.5286 0.5490 0.1203 0.1104 0.0164 1254 ALA A CB 9639 N N . LEU B 577 ? 0.5774 0.4949 0.5317 0.1132 0.0979 0.0178 1255 LEU A N 9640 C CA . LEU B 577 ? 0.5620 0.4634 0.5086 0.1113 0.0945 0.0164 1255 LEU A CA 9641 C C . LEU B 577 ? 0.5706 0.4694 0.5227 0.1147 0.0927 0.0197 1255 LEU A C 9642 O O . LEU B 577 ? 0.5794 0.4641 0.5259 0.1182 0.0927 0.0182 1255 LEU A O 9643 C CB . LEU B 577 ? 0.4768 0.3768 0.4204 0.1023 0.0900 0.0167 1255 LEU A CB 9644 C CG . LEU B 577 ? 0.5323 0.4187 0.4716 0.0989 0.0862 0.0166 1255 LEU A CG 9645 C CD1 . LEU B 577 ? 0.5640 0.4333 0.4923 0.1009 0.0870 0.0114 1255 LEU A CD1 9646 C CD2 . LEU B 577 ? 0.5510 0.4404 0.4908 0.0904 0.0820 0.0179 1255 LEU A CD2 9647 N N . LEU B 578 ? 0.5876 0.4993 0.5499 0.1140 0.0909 0.0241 1256 LEU A N 9648 C CA . LEU B 578 ? 0.6372 0.5473 0.6039 0.1178 0.0889 0.0277 1256 LEU A CA 9649 C C . LEU B 578 ? 0.6126 0.5223 0.5818 0.1276 0.0922 0.0270 1256 LEU A C 9650 O O . LEU B 578 ? 0.5294 0.4288 0.4963 0.1322 0.0914 0.0282 1256 LEU A O 9651 C CB . LEU B 578 ? 0.5627 0.4872 0.5387 0.1151 0.0860 0.0319 1256 LEU A CB 9652 C CG . LEU B 578 ? 0.5603 0.4853 0.5345 0.1065 0.0825 0.0332 1256 LEU A CG 9653 C CD1 . LEU B 578 ? 0.5974 0.5374 0.5803 0.1048 0.0803 0.0364 1256 LEU A CD1 9654 C CD2 . LEU B 578 ? 0.5073 0.4186 0.4757 0.1043 0.0801 0.0347 1256 LEU A CD2 9655 N N . THR B 579 ? 0.6166 0.5373 0.5905 0.1311 0.0963 0.0253 1257 THR A N 9656 C CA . THR B 579 ? 0.6057 0.5268 0.5821 0.1410 0.1002 0.0242 1257 THR A CA 9657 C C . THR B 579 ? 0.6744 0.5757 0.6386 0.1446 0.1020 0.0203 1257 THR A C 9658 O O . THR B 579 ? 0.7725 0.6663 0.7362 0.1524 0.1026 0.0205 1257 THR A O 9659 C CB . THR B 579 ? 0.5722 0.5087 0.5554 0.1431 0.1051 0.0230 1257 THR A CB 9660 O OG1 . THR B 579 ? 0.6280 0.5811 0.6218 0.1381 0.1030 0.0262 1257 THR A OG1 9661 C CG2 . THR B 579 ? 0.4801 0.4212 0.4695 0.1536 0.1089 0.0226 1257 THR A CG2 9662 N N . SER B 580 ? 0.6789 0.5708 0.6327 0.1393 0.1024 0.0165 1258 SER A N 9663 C CA . SER B 580 ? 0.6607 0.5327 0.6020 0.1421 0.1035 0.0120 1258 SER A CA 9664 C C . SER B 580 ? 0.6932 0.5495 0.6306 0.1403 0.0992 0.0137 1258 SER A C 9665 O O . SER B 580 ? 0.7168 0.5577 0.6481 0.1461 0.1001 0.0118 1258 SER A O 9666 C CB . SER B 580 ? 0.6063 0.4731 0.5374 0.1366 0.1041 0.0074 1258 SER A CB 9667 O OG . SER B 580 ? 0.6005 0.4797 0.5336 0.1395 0.1092 0.0060 1258 SER A OG 9668 N N . LEU B 581 ? 0.7036 0.5630 0.6441 0.1324 0.0948 0.0173 1259 LEU A N 9669 C CA . LEU B 581 ? 0.5995 0.4450 0.5369 0.1301 0.0913 0.0199 1259 LEU A CA 9670 C C . LEU B 581 ? 0.5836 0.4285 0.5257 0.1387 0.0916 0.0238 1259 LEU A C 9671 O O . LEU B 581 ? 0.6636 0.4912 0.5997 0.1415 0.0910 0.0241 1259 LEU A O 9672 C CB . LEU B 581 ? 0.5263 0.3780 0.4669 0.1205 0.0873 0.0233 1259 LEU A CB 9673 C CG . LEU B 581 ? 0.5114 0.3606 0.4466 0.1117 0.0858 0.0198 1259 LEU A CG 9674 C CD1 . LEU B 581 ? 0.5167 0.3751 0.4570 0.1037 0.0824 0.0237 1259 LEU A CD1 9675 C CD2 . LEU B 581 ? 0.5473 0.3755 0.4723 0.1096 0.0849 0.0161 1259 LEU A CD2 9676 N N . ASN B 582 ? 0.5441 0.4072 0.4968 0.1429 0.0922 0.0267 1260 ASN A N 9677 C CA . ASN B 582 ? 0.6131 0.4775 0.5707 0.1521 0.0921 0.0301 1260 ASN A CA 9678 C C . ASN B 582 ? 0.6830 0.5380 0.6367 0.1621 0.0960 0.0266 1260 ASN A C 9679 O O . ASN B 582 ? 0.7357 0.5847 0.6900 0.1701 0.0956 0.0289 1260 ASN A O 9680 C CB . ASN B 582 ? 0.6205 0.5081 0.5912 0.1539 0.0914 0.0331 1260 ASN A CB 9681 C CG . ASN B 582 ? 0.6361 0.5309 0.6101 0.1463 0.0869 0.0373 1260 ASN A CG 9682 O OD1 . ASN B 582 ? 0.6209 0.5045 0.5880 0.1397 0.0849 0.0383 1260 ASN A OD1 9683 N ND2 . ASN B 582 ? 0.6245 0.5381 0.6091 0.1472 0.0855 0.0396 1260 ASN A ND2 9684 N N . LEU B 583 ? 0.6704 0.5235 0.6194 0.1623 0.0998 0.0210 1261 LEU A N 9685 C CA . LEU B 583 ? 0.6738 0.5166 0.6173 0.1718 0.1040 0.0169 1261 LEU A CA 9686 C C . LEU B 583 ? 0.7095 0.5264 0.6384 0.1697 0.1033 0.0130 1261 LEU A C 9687 O O . LEU B 583 ? 0.7607 0.5655 0.6828 0.1776 0.1065 0.0088 1261 LEU A O 9688 C CB . LEU B 583 ? 0.6513 0.5071 0.5973 0.1744 0.1092 0.0130 1261 LEU A CB 9689 C CG . LEU B 583 ? 0.6574 0.5387 0.6189 0.1770 0.1107 0.0164 1261 LEU A CG 9690 C CD1 . LEU B 583 ? 0.6549 0.5475 0.6178 0.1781 0.1166 0.0129 1261 LEU A CD1 9691 C CD2 . LEU B 583 ? 0.6964 0.5817 0.6660 0.1878 0.1107 0.0192 1261 LEU A CD2 9692 N N . LYS B 584 ? 0.6885 0.4970 0.6129 0.1594 0.0992 0.0139 1262 LYS A N 9693 C CA . LYS B 584 ? 0.7603 0.5447 0.6721 0.1556 0.0978 0.0102 1262 LYS A CA 9694 C C . LYS B 584 ? 0.8537 0.6317 0.7561 0.1562 0.1006 0.0024 1262 LYS A C 9695 O O . LYS B 584 ? 0.8925 0.6502 0.7843 0.1597 0.1014 -0.0022 1262 LYS A O 9696 C CB . LYS B 584 ? 0.8475 0.6134 0.7553 0.1626 0.0975 0.0120 1262 LYS A CB 9697 C CG . LYS B 584 ? 0.9188 0.6889 0.8337 0.1627 0.0947 0.0200 1262 LYS A CG 9698 C CD . LYS B 584 ? 1.0385 0.7910 0.9491 0.1722 0.0952 0.0219 1262 LYS A CD 9699 C CE . LYS B 584 ? 1.0879 0.8440 1.0039 0.1730 0.0923 0.0302 1262 LYS A CE 9700 N NZ . LYS B 584 ? 1.1309 0.8839 1.0456 0.1604 0.0891 0.0333 1262 LYS A NZ 9701 N N . ASP B 585 ? 0.8606 0.6549 0.7658 0.1530 0.1021 0.0009 1263 ASP A N 9702 C CA . ASP B 585 ? 0.8598 0.6504 0.7555 0.1539 0.1051 -0.0060 1263 ASP A CA 9703 C C . ASP B 585 ? 0.8113 0.5946 0.6994 0.1426 0.1008 -0.0088 1263 ASP A C 9704 O O . ASP B 585 ? 0.8447 0.6408 0.7347 0.1366 0.1002 -0.0086 1263 ASP A O 9705 C CB . ASP B 585 ? 0.8881 0.7006 0.7910 0.1575 0.1098 -0.0054 1263 ASP A CB 9706 C CG . ASP B 585 ? 0.9933 0.8016 0.8855 0.1615 0.1144 -0.0120 1263 ASP A CG 9707 O OD1 . ASP B 585 ? 1.0748 0.8640 0.9534 0.1601 0.1130 -0.0177 1263 ASP A OD1 9708 O OD2 . ASP B 585 ? 1.0000 0.8245 0.8975 0.1660 0.1196 -0.0116 1263 ASP A OD2 9709 N N . ILE B 586 ? 0.8322 0.5938 0.7116 0.1397 0.0977 -0.0116 1264 ILE A N 9710 C CA . ILE B 586 ? 0.8944 0.6495 0.7692 0.1282 0.0926 -0.0135 1264 ILE A CA 9711 C C . ILE B 586 ? 0.9316 0.6842 0.7956 0.1265 0.0929 -0.0207 1264 ILE A C 9712 O O . ILE B 586 ? 0.9620 0.7178 0.8246 0.1173 0.0890 -0.0218 1264 ILE A O 9713 C CB . ILE B 586 ? 0.9532 0.6862 0.8235 0.1249 0.0892 -0.0137 1264 ILE A CB 9714 C CG1 . ILE B 586 ? 0.9680 0.6809 0.8278 0.1339 0.0918 -0.0191 1264 ILE A CG1 9715 C CG2 . ILE B 586 ? 0.9553 0.6929 0.8361 0.1241 0.0881 -0.0053 1264 ILE A CG2 9716 C CD1 . ILE B 586 ? 0.9769 0.6651 0.8311 0.1308 0.0887 -0.0197 1264 ILE A CD1 9717 N N . ASN B 587 ? 0.9506 0.6980 0.8065 0.1355 0.0975 -0.0257 1265 ASN A N 9718 C CA . ASN B 587 ? 0.9995 0.7440 0.8432 0.1346 0.0979 -0.0327 1265 ASN A CA 9719 C C . ASN B 587 ? 0.9420 0.7084 0.7907 0.1322 0.0996 -0.0302 1265 ASN A C 9720 O O . ASN B 587 ? 1.0204 0.7864 0.8599 0.1287 0.0984 -0.0344 1265 ASN A O 9721 C CB . ASN B 587 ? 1.0926 0.8258 0.9256 0.1458 0.1032 -0.0386 1265 ASN A CB 9722 C CG . ASN B 587 ? 1.1784 0.8865 1.0040 0.1484 0.1013 -0.0422 1265 ASN A CG 9723 O OD1 . ASN B 587 ? 1.2261 0.9215 1.0502 0.1399 0.0955 -0.0426 1265 ASN A OD1 9724 N ND2 . ASN B 587 ? 1.1716 0.8722 0.9928 0.1603 0.1065 -0.0448 1265 ASN A ND2 9725 N N . TYR B 588 ? 0.8352 0.6202 0.6978 0.1338 0.1020 -0.0234 1266 TYR A N 9726 C CA . TYR B 588 ? 0.7233 0.5285 0.5911 0.1332 0.1049 -0.0208 1266 TYR A CA 9727 C C . TYR B 588 ? 0.7494 0.5660 0.6248 0.1232 0.1002 -0.0164 1266 TYR A C 9728 O O . TYR B 588 ? 0.7773 0.6071 0.6539 0.1210 0.1015 -0.0152 1266 TYR A O 9729 C CB . TYR B 588 ? 0.6378 0.4570 0.5168 0.1416 0.1108 -0.0167 1266 TYR A CB 9730 C CG . TYR B 588 ? 0.6180 0.4564 0.5018 0.1428 0.1156 -0.0147 1266 TYR A CG 9731 C CD1 . TYR B 588 ? 0.6228 0.4600 0.4960 0.1470 0.1207 -0.0192 1266 TYR A CD1 9732 C CD2 . TYR B 588 ? 0.5556 0.4127 0.4541 0.1400 0.1154 -0.0084 1266 TYR A CD2 9733 C CE1 . TYR B 588 ? 0.6213 0.4755 0.4989 0.1478 0.1258 -0.0168 1266 TYR A CE1 9734 C CE2 . TYR B 588 ? 0.5991 0.4729 0.5026 0.1405 0.1200 -0.0064 1266 TYR A CE2 9735 C CZ . TYR B 588 ? 0.6525 0.5248 0.5458 0.1443 0.1254 -0.0103 1266 TYR A CZ 9736 O OH . TYR B 588 ? 0.7233 0.6116 0.6214 0.1444 0.1306 -0.0077 1266 TYR A OH 9737 N N . VAL B 589 ? 0.7292 0.5405 0.6092 0.1173 0.0950 -0.0138 1267 VAL A N 9738 C CA . VAL B 589 ? 0.6906 0.5149 0.5802 0.1094 0.0914 -0.0086 1267 VAL A CA 9739 C C . VAL B 589 ? 0.7041 0.5244 0.5881 0.1001 0.0860 -0.0111 1267 VAL A C 9740 O O . VAL B 589 ? 0.7216 0.5544 0.6120 0.0944 0.0836 -0.0076 1267 VAL A O 9741 C CB . VAL B 589 ? 0.6665 0.4907 0.5659 0.1087 0.0895 -0.0031 1267 VAL A CB 9742 C CG1 . VAL B 589 ? 0.6190 0.4526 0.5267 0.1173 0.0939 0.0005 1267 VAL A CG1 9743 C CG2 . VAL B 589 ? 0.6815 0.4850 0.5745 0.1074 0.0869 -0.0054 1267 VAL A CG2 9744 N N . ASN B 590 ? 0.7279 0.5314 0.6005 0.0986 0.0836 -0.0172 1268 ASN A N 9745 C CA . ASN B 590 ? 0.7215 0.5220 0.5905 0.0894 0.0775 -0.0195 1268 ASN A CA 9746 C C . ASN B 590 ? 0.7056 0.5194 0.5729 0.0870 0.0770 -0.0196 1268 ASN A C 9747 O O . ASN B 590 ? 0.6742 0.4969 0.5478 0.0800 0.0730 -0.0167 1268 ASN A O 9748 C CB . ASN B 590 ? 0.7754 0.5551 0.6321 0.0885 0.0748 -0.0269 1268 ASN A CB 9749 C CG . ASN B 590 ? 0.8519 0.6174 0.7116 0.0867 0.0731 -0.0257 1268 ASN A CG 9750 O OD1 . ASN B 590 ? 0.8824 0.6512 0.7507 0.0901 0.0757 -0.0201 1268 ASN A OD1 9751 N ND2 . ASN B 590 ? 0.8665 0.6158 0.7191 0.0813 0.0684 -0.0309 1268 ASN A ND2 9752 N N . PRO B 591 ? 0.7397 0.5556 0.5986 0.0927 0.0810 -0.0225 1269 PRO A N 9753 C CA . PRO B 591 ? 0.7375 0.5660 0.5950 0.0904 0.0807 -0.0215 1269 PRO A CA 9754 C C . PRO B 591 ? 0.7209 0.5671 0.5921 0.0893 0.0824 -0.0141 1269 PRO A C 9755 O O . PRO B 591 ? 0.7432 0.5988 0.6163 0.0846 0.0799 -0.0121 1269 PRO A O 9756 C CB . PRO B 591 ? 0.7781 0.6036 0.6234 0.0978 0.0862 -0.0255 1269 PRO A CB 9757 C CG . PRO B 591 ? 0.7434 0.5615 0.5895 0.1053 0.0909 -0.0264 1269 PRO A CG 9758 C CD . PRO B 591 ? 0.7335 0.5398 0.5830 0.1015 0.0862 -0.0269 1269 PRO A CD 9759 N N . VAL B 592 ? 0.7005 0.5512 0.5811 0.0937 0.0863 -0.0103 1270 VAL A N 9760 C CA . VAL B 592 ? 0.6116 0.4781 0.5055 0.0923 0.0871 -0.0038 1270 VAL A CA 9761 C C . VAL B 592 ? 0.5899 0.4582 0.4904 0.0847 0.0812 -0.0011 1270 VAL A C 9762 O O . VAL B 592 ? 0.5484 0.4282 0.4545 0.0808 0.0796 0.0022 1270 VAL A O 9763 C CB . VAL B 592 ? 0.5960 0.4665 0.4984 0.0989 0.0916 -0.0010 1270 VAL A CB 9764 C CG1 . VAL B 592 ? 0.5887 0.4757 0.5043 0.0974 0.0918 0.0051 1270 VAL A CG1 9765 C CG2 . VAL B 592 ? 0.6056 0.4752 0.5021 0.1068 0.0980 -0.0038 1270 VAL A CG2 9766 N N . ILE B 593 ? 0.6004 0.4570 0.5003 0.0827 0.0784 -0.0022 1271 ILE A N 9767 C CA . ILE B 593 ? 0.5677 0.4257 0.4737 0.0754 0.0735 0.0005 1271 ILE A CA 9768 C C . ILE B 593 ? 0.6252 0.4863 0.5276 0.0691 0.0692 -0.0016 1271 ILE A C 9769 O O . ILE B 593 ? 0.5936 0.4643 0.5030 0.0643 0.0665 0.0018 1271 ILE A O 9770 C CB . ILE B 593 ? 0.5641 0.4070 0.4688 0.0741 0.0718 -0.0006 1271 ILE A CB 9771 C CG1 . ILE B 593 ? 0.6447 0.4861 0.5544 0.0804 0.0754 0.0029 1271 ILE A CG1 9772 C CG2 . ILE B 593 ? 0.5261 0.3701 0.4364 0.0656 0.0671 0.0018 1271 ILE A CG2 9773 C CD1 . ILE B 593 ? 0.7087 0.5635 0.6299 0.0795 0.0753 0.0096 1271 ILE A CD1 9774 N N . LYS B 594 ? 0.5969 0.4498 0.4876 0.0696 0.0683 -0.0074 1272 LYS A N 9775 C CA . LYS B 594 ? 0.5750 0.4312 0.4615 0.0644 0.0636 -0.0096 1272 LYS A CA 9776 C C . LYS B 594 ? 0.5903 0.4614 0.4799 0.0653 0.0652 -0.0059 1272 LYS A C 9777 O O . LYS B 594 ? 0.6200 0.4991 0.5136 0.0605 0.0613 -0.0041 1272 LYS A O 9778 C CB . LYS B 594 ? 0.6543 0.4983 0.5262 0.0658 0.0623 -0.0169 1272 LYS A CB 9779 C CG . LYS B 594 ? 0.6785 0.5244 0.5452 0.0604 0.0561 -0.0198 1272 LYS A CG 9780 C CD . LYS B 594 ? 0.7105 0.5435 0.5613 0.0622 0.0545 -0.0276 1272 LYS A CD 9781 C CE . LYS B 594 ? 0.7522 0.5874 0.5976 0.0571 0.0474 -0.0308 1272 LYS A CE 9782 N NZ . LYS B 594 ? 0.7917 0.6270 0.6462 0.0486 0.0408 -0.0308 1272 LYS A NZ 9783 N N . TRP B 595 ? 0.5907 0.4659 0.4792 0.0714 0.0710 -0.0046 1273 TRP A N 9784 C CA . TRP B 595 ? 0.5687 0.4569 0.4601 0.0720 0.0729 -0.0010 1273 TRP A CA 9785 C C . TRP B 595 ? 0.5556 0.4548 0.4606 0.0690 0.0718 0.0047 1273 TRP A C 9786 O O . TRP B 595 ? 0.5598 0.4672 0.4672 0.0660 0.0695 0.0069 1273 TRP A O 9787 C CB . TRP B 595 ? 0.5499 0.4403 0.4386 0.0787 0.0799 -0.0007 1273 TRP A CB 9788 C CG . TRP B 595 ? 0.6061 0.5081 0.4969 0.0788 0.0823 0.0030 1273 TRP A CG 9789 C CD1 . TRP B 595 ? 0.5900 0.4923 0.4707 0.0789 0.0827 0.0018 1273 TRP A CD1 9790 C CD2 . TRP B 595 ? 0.6403 0.5543 0.5433 0.0786 0.0845 0.0084 1273 TRP A CD2 9791 N NE1 . TRP B 595 ? 0.6148 0.5278 0.5010 0.0787 0.0853 0.0066 1273 TRP A NE1 9792 C CE2 . TRP B 595 ? 0.6162 0.5366 0.5164 0.0783 0.0863 0.0103 1273 TRP A CE2 9793 C CE3 . TRP B 595 ? 0.6486 0.5680 0.5641 0.0788 0.0848 0.0117 1273 TRP A CE3 9794 C CZ2 . TRP B 595 ? 0.5488 0.4803 0.4590 0.0776 0.0885 0.0152 1273 TRP A CZ2 9795 C CZ3 . TRP B 595 ? 0.6430 0.5742 0.5680 0.0784 0.0865 0.0161 1273 TRP A CZ3 9796 C CH2 . TRP B 595 ? 0.5891 0.5260 0.5117 0.0776 0.0883 0.0177 1273 TRP A CH2 9797 N N . LEU B 596 ? 0.5792 0.4783 0.4923 0.0704 0.0732 0.0071 1274 LEU A N 9798 C CA . LEU B 596 ? 0.6121 0.5208 0.5365 0.0680 0.0720 0.0121 1274 LEU A CA 9799 C C . LEU B 596 ? 0.6703 0.5790 0.5968 0.0616 0.0666 0.0124 1274 LEU A C 9800 O O . LEU B 596 ? 0.6935 0.6117 0.6262 0.0591 0.0649 0.0157 1274 LEU A O 9801 C CB . LEU B 596 ? 0.5774 0.4852 0.5086 0.0715 0.0743 0.0145 1274 LEU A CB 9802 C CG . LEU B 596 ? 0.5922 0.5074 0.5276 0.0771 0.0791 0.0163 1274 LEU A CG 9803 C CD1 . LEU B 596 ? 0.5656 0.4797 0.5074 0.0810 0.0804 0.0184 1274 LEU A CD1 9804 C CD2 . LEU B 596 ? 0.6348 0.5631 0.5764 0.0752 0.0791 0.0196 1274 LEU A CD2 9805 N N . SER B 597 ? 0.6973 0.5954 0.6190 0.0590 0.0639 0.0090 1275 SER A N 9806 C CA . SER B 597 ? 0.6594 0.5583 0.5843 0.0524 0.0589 0.0092 1275 SER A CA 9807 C C . SER B 597 ? 0.6880 0.5942 0.6105 0.0499 0.0557 0.0083 1275 SER A C 9808 O O . SER B 597 ? 0.6530 0.5678 0.5823 0.0464 0.0532 0.0110 1275 SER A O 9809 C CB . SER B 597 ? 0.6404 0.5257 0.5606 0.0496 0.0565 0.0052 1275 SER A CB 9810 O OG . SER B 597 ? 0.7015 0.5889 0.6247 0.0428 0.0515 0.0046 1275 SER A OG 9811 N N . GLU B 598 ? 0.7238 0.6266 0.6363 0.0522 0.0560 0.0046 1276 GLU A N 9812 C CA . GLU B 598 ? 0.6671 0.5759 0.5760 0.0505 0.0527 0.0039 1276 GLU A CA 9813 C C . GLU B 598 ? 0.6097 0.5295 0.5228 0.0526 0.0552 0.0085 1276 GLU A C 9814 O O . GLU B 598 ? 0.5083 0.4348 0.4220 0.0508 0.0522 0.0097 1276 GLU A O 9815 C CB . GLU B 598 ? 0.6358 0.5365 0.5308 0.0525 0.0520 -0.0014 1276 GLU A CB 9816 C CG . GLU B 598 ? 0.6920 0.5812 0.5823 0.0494 0.0481 -0.0067 1276 GLU A CG 9817 C CD . GLU B 598 ? 0.8016 0.6838 0.6773 0.0508 0.0458 -0.0125 1276 GLU A CD 9818 O OE1 . GLU B 598 ? 0.8845 0.7704 0.7532 0.0547 0.0480 -0.0118 1276 GLU A OE1 9819 O OE2 . GLU B 598 ? 0.8513 0.7237 0.7222 0.0479 0.0416 -0.0177 1276 GLU A OE2 9820 N N . GLU B 599 ? 0.5943 0.5160 0.5107 0.0565 0.0605 0.0111 1277 GLU A N 9821 C CA . GLU B 599 ? 0.5845 0.5162 0.5064 0.0578 0.0627 0.0153 1277 GLU A CA 9822 C C . GLU B 599 ? 0.6281 0.5671 0.5608 0.0551 0.0606 0.0189 1277 GLU A C 9823 O O . GLU B 599 ? 0.5724 0.5192 0.5095 0.0555 0.0612 0.0220 1277 GLU A O 9824 C CB . GLU B 599 ? 0.6739 0.6062 0.5969 0.0625 0.0687 0.0165 1277 GLU A CB 9825 C CG . GLU B 599 ? 0.7435 0.6835 0.6680 0.0640 0.0716 0.0195 1277 GLU A CG 9826 C CD . GLU B 599 ? 0.8079 0.7459 0.7217 0.0642 0.0714 0.0182 1277 GLU A CD 9827 O OE1 . GLU B 599 ? 0.8542 0.7976 0.7688 0.0632 0.0708 0.0209 1277 GLU A OE1 9828 O OE2 . GLU B 599 ? 0.8412 0.7714 0.7448 0.0657 0.0717 0.0143 1277 GLU A OE2 9829 N N . GLN B 600 ? 0.7392 0.6751 0.6757 0.0524 0.0584 0.0186 1278 GLN A N 9830 C CA . GLN B 600 ? 0.6969 0.6394 0.6425 0.0500 0.0569 0.0220 1278 GLN A CA 9831 C C . GLN B 600 ? 0.6898 0.6392 0.6365 0.0472 0.0531 0.0225 1278 GLN A C 9832 O O . GLN B 600 ? 0.7484 0.6966 0.6887 0.0466 0.0509 0.0200 1278 GLN A O 9833 C CB . GLN B 600 ? 0.7595 0.6961 0.7078 0.0474 0.0558 0.0217 1278 GLN A CB 9834 C CG . GLN B 600 ? 0.7700 0.7120 0.7268 0.0467 0.0563 0.0261 1278 GLN A CG 9835 C CD . GLN B 600 ? 0.7480 0.6832 0.7067 0.0437 0.0556 0.0264 1278 GLN A CD 9836 O OE1 . GLN B 600 ? 0.7928 0.7214 0.7485 0.0403 0.0535 0.0234 1278 GLN A OE1 9837 N NE2 . GLN B 600 ? 0.6712 0.6077 0.6347 0.0449 0.0574 0.0302 1278 GLN A NE2 9838 N N . ARG B 601 ? 0.7158 0.6725 0.6701 0.0460 0.0524 0.0257 1279 ARG A N 9839 C CA . ARG B 601 ? 0.7456 0.7101 0.7021 0.0446 0.0495 0.0267 1279 ARG A CA 9840 C C . ARG B 601 ? 0.7949 0.7632 0.7582 0.0409 0.0472 0.0278 1279 ARG A C 9841 O O . ARG B 601 ? 0.7991 0.7656 0.7664 0.0401 0.0489 0.0294 1279 ARG A O 9842 C CB . ARG B 601 ? 0.8084 0.7788 0.7674 0.0474 0.0514 0.0296 1279 ARG A CB 9843 C CG . ARG B 601 ? 0.9368 0.9137 0.8966 0.0473 0.0488 0.0306 1279 ARG A CG 9844 C CD . ARG B 601 ? 1.0118 0.9913 0.9722 0.0501 0.0511 0.0327 1279 ARG A CD 9845 N NE . ARG B 601 ? 1.0745 1.0492 1.0294 0.0520 0.0541 0.0319 1279 ARG A NE 9846 C CZ . ARG B 601 ? 1.1623 1.1383 1.1177 0.0538 0.0568 0.0335 1279 ARG A CZ 9847 N NH1 . ARG B 601 ? 1.1905 1.1713 1.1510 0.0541 0.0563 0.0357 1279 ARG A NH1 9848 N NH2 . ARG B 601 ? 1.1502 1.1225 1.1010 0.0553 0.0601 0.0330 1279 ARG A NH2 9849 N N . TYR B 602 ? 0.8437 0.8175 0.8083 0.0388 0.0435 0.0272 1280 TYR A N 9850 C CA . TYR B 602 ? 0.8571 0.8371 0.8296 0.0354 0.0419 0.0286 1280 TYR A CA 9851 C C . TYR B 602 ? 0.8553 0.8405 0.8334 0.0372 0.0447 0.0326 1280 TYR A C 9852 O O . TYR B 602 ? 0.9261 0.9157 0.9039 0.0405 0.0453 0.0339 1280 TYR A O 9853 C CB . TYR B 602 ? 0.9100 0.8974 0.8839 0.0341 0.0375 0.0276 1280 TYR A CB 9854 C CG . TYR B 602 ? 0.9242 0.9215 0.9077 0.0320 0.0367 0.0299 1280 TYR A CG 9855 C CD1 . TYR B 602 ? 0.9133 0.9106 0.9029 0.0275 0.0371 0.0306 1280 TYR A CD1 9856 C CD2 . TYR B 602 ? 0.9516 0.9579 0.9378 0.0346 0.0358 0.0316 1280 TYR A CD2 9857 C CE1 . TYR B 602 ? 0.9411 0.9483 0.9397 0.0255 0.0372 0.0330 1280 TYR A CE1 9858 C CE2 . TYR B 602 ? 0.9687 0.9847 0.9636 0.0333 0.0355 0.0336 1280 TYR A CE2 9859 C CZ . TYR B 602 ? 0.9708 0.9878 0.9721 0.0287 0.0365 0.0344 1280 TYR A CZ 9860 O OH . TYR B 602 ? 0.9858 1.0134 0.9960 0.0274 0.0370 0.0368 1280 TYR A OH 9861 N N . GLY B 603 ? 0.7692 0.7532 0.7516 0.0352 0.0464 0.0344 1281 GLY A N 9862 C CA . GLY B 603 ? 0.6644 0.6514 0.6501 0.0374 0.0492 0.0379 1281 GLY A CA 9863 C C . GLY B 603 ? 0.6023 0.5812 0.5857 0.0390 0.0520 0.0388 1281 GLY A C 9864 O O . GLY B 603 ? 0.5835 0.5634 0.5694 0.0398 0.0539 0.0419 1281 GLY A O 9865 N N . GLY B 604 ? 0.5427 0.5139 0.5210 0.0399 0.0522 0.0362 1282 GLY A N 9866 C CA . GLY B 604 ? 0.5293 0.4925 0.5054 0.0420 0.0547 0.0366 1282 GLY A CA 9867 C C . GLY B 604 ? 0.5382 0.5019 0.5123 0.0468 0.0566 0.0364 1282 GLY A C 9868 O O . GLY B 604 ? 0.6138 0.5708 0.5853 0.0491 0.0584 0.0356 1282 GLY A O 9869 N N . GLY B 605 ? 0.4758 0.4469 0.4513 0.0484 0.0562 0.0372 1283 GLY A N 9870 C CA . GLY B 605 ? 0.5414 0.5139 0.5167 0.0521 0.0580 0.0373 1283 GLY A CA 9871 C C . GLY B 605 ? 0.5888 0.5587 0.5593 0.0529 0.0588 0.0348 1283 GLY A C 9872 O O . GLY B 605 ? 0.5832 0.5494 0.5492 0.0511 0.0575 0.0325 1283 GLY A O 9873 N N . PHE B 606 ? 0.5507 0.5230 0.5222 0.0557 0.0608 0.0353 1284 PHE A N 9874 C CA . PHE B 606 ? 0.4911 0.4616 0.4582 0.0569 0.0627 0.0336 1284 PHE A CA 9875 C C . PHE B 606 ? 0.4679 0.4441 0.4366 0.0571 0.0629 0.0349 1284 PHE A C 9876 O O . PHE B 606 ? 0.4532 0.4327 0.4227 0.0557 0.0604 0.0358 1284 PHE A O 9877 C CB . PHE B 606 ? 0.4335 0.4004 0.4003 0.0600 0.0660 0.0328 1284 PHE A CB 9878 C CG . PHE B 606 ? 0.4882 0.4466 0.4511 0.0599 0.0660 0.0308 1284 PHE A CG 9879 C CD1 . PHE B 606 ? 0.4414 0.3975 0.4072 0.0592 0.0648 0.0321 1284 PHE A CD1 9880 C CD2 . PHE B 606 ? 0.5234 0.4752 0.4788 0.0605 0.0671 0.0277 1284 PHE A CD2 9881 C CE1 . PHE B 606 ? 0.4292 0.3760 0.3914 0.0587 0.0647 0.0303 1284 PHE A CE1 9882 C CE2 . PHE B 606 ? 0.4854 0.4279 0.4367 0.0603 0.0667 0.0253 1284 PHE A CE2 9883 C CZ . PHE B 606 ? 0.4398 0.3796 0.3949 0.0592 0.0654 0.0267 1284 PHE A CZ 9884 N N . TYR B 607 ? 0.4687 0.4459 0.4382 0.0590 0.0661 0.0352 1285 TYR A N 9885 C CA . TYR B 607 ? 0.5047 0.4857 0.4752 0.0587 0.0667 0.0365 1285 TYR A CA 9886 C C . TYR B 607 ? 0.5331 0.5199 0.5114 0.0588 0.0659 0.0382 1285 TYR A C 9887 O O . TYR B 607 ? 0.5344 0.5234 0.5136 0.0577 0.0639 0.0391 1285 TYR A O 9888 C CB . TYR B 607 ? 0.5347 0.5143 0.5024 0.0600 0.0710 0.0362 1285 TYR A CB 9889 C CG . TYR B 607 ? 0.5850 0.5585 0.5428 0.0601 0.0715 0.0344 1285 TYR A CG 9890 C CD1 . TYR B 607 ? 0.5882 0.5603 0.5397 0.0591 0.0703 0.0348 1285 TYR A CD1 9891 C CD2 . TYR B 607 ? 0.5667 0.5352 0.5206 0.0617 0.0730 0.0320 1285 TYR A CD2 9892 C CE1 . TYR B 607 ? 0.6061 0.5727 0.5476 0.0595 0.0701 0.0329 1285 TYR A CE1 9893 C CE2 . TYR B 607 ? 0.6347 0.5971 0.5786 0.0620 0.0729 0.0297 1285 TYR A CE2 9894 C CZ . TYR B 607 ? 0.6760 0.6378 0.6136 0.0608 0.0713 0.0301 1285 TYR A CZ 9895 O OH . TYR B 607 ? 0.7411 0.6970 0.6678 0.0613 0.0707 0.0275 1285 TYR A OH 9896 N N . SER B 608 ? 0.5196 0.5087 0.5033 0.0606 0.0672 0.0384 1286 SER A N 9897 C CA . SER B 608 ? 0.5036 0.4983 0.4944 0.0610 0.0658 0.0395 1286 SER A CA 9898 C C . SER B 608 ? 0.5586 0.5534 0.5516 0.0629 0.0645 0.0398 1286 SER A C 9899 O O . SER B 608 ? 0.6297 0.6198 0.6188 0.0628 0.0642 0.0395 1286 SER A O 9900 C CB . SER B 608 ? 0.4822 0.4812 0.4785 0.0614 0.0683 0.0399 1286 SER A CB 9901 O OG . SER B 608 ? 0.5487 0.5528 0.5512 0.0609 0.0659 0.0404 1286 SER A OG 9902 N N . THR B 609 ? 0.4962 0.4960 0.4955 0.0645 0.0637 0.0405 1287 THR A N 9903 C CA . THR B 609 ? 0.5180 0.5178 0.5183 0.0667 0.0621 0.0414 1287 THR A CA 9904 C C . THR B 609 ? 0.5366 0.5342 0.5379 0.0699 0.0643 0.0413 1287 THR A C 9905 O O . THR B 609 ? 0.5412 0.5332 0.5389 0.0709 0.0643 0.0417 1287 THR A O 9906 C CB . THR B 609 ? 0.4683 0.4744 0.4737 0.0675 0.0593 0.0419 1287 THR A CB 9907 O OG1 . THR B 609 ? 0.4648 0.4762 0.4767 0.0678 0.0602 0.0413 1287 THR A OG1 9908 C CG2 . THR B 609 ? 0.4296 0.4362 0.4327 0.0653 0.0570 0.0418 1287 THR A CG2 9909 N N . GLN B 610 ? 0.5433 0.5452 0.5498 0.0716 0.0664 0.0407 1288 GLN A N 9910 C CA . GLN B 610 ? 0.5695 0.5704 0.5777 0.0757 0.0686 0.0406 1288 GLN A CA 9911 C C . GLN B 610 ? 0.6347 0.6265 0.6355 0.0759 0.0712 0.0393 1288 GLN A C 9912 O O . GLN B 610 ? 0.7933 0.7791 0.7914 0.0785 0.0714 0.0393 1288 GLN A O 9913 C CB . GLN B 610 ? 0.5601 0.5692 0.5765 0.0772 0.0707 0.0402 1288 GLN A CB 9914 C CG . GLN B 610 ? 0.5546 0.5725 0.5791 0.0771 0.0673 0.0410 1288 GLN A CG 9915 C CD . GLN B 610 ? 0.5916 0.6097 0.6168 0.0810 0.0642 0.0420 1288 GLN A CD 9916 O OE1 . GLN B 610 ? 0.6313 0.6478 0.6571 0.0854 0.0655 0.0423 1288 GLN A OE1 9917 N NE2 . GLN B 610 ? 0.5721 0.5915 0.5964 0.0799 0.0600 0.0427 1288 GLN A NE2 9918 N N . ASP B 611 ? 0.4943 0.4843 0.4911 0.0734 0.0731 0.0380 1289 ASP A N 9919 C CA . ASP B 611 ? 0.5250 0.5061 0.5136 0.0734 0.0749 0.0362 1289 ASP A CA 9920 C C . ASP B 611 ? 0.4843 0.4587 0.4683 0.0716 0.0719 0.0363 1289 ASP A C 9921 O O . ASP B 611 ? 0.4727 0.4389 0.4522 0.0726 0.0725 0.0351 1289 ASP A O 9922 C CB . ASP B 611 ? 0.5540 0.5344 0.5378 0.0711 0.0766 0.0351 1289 ASP A CB 9923 C CG . ASP B 611 ? 0.6322 0.6155 0.6159 0.0672 0.0737 0.0362 1289 ASP A CG 9924 O OD1 . ASP B 611 ? 0.6901 0.6802 0.6803 0.0666 0.0729 0.0376 1289 ASP A OD1 9925 O OD2 . ASP B 611 ? 0.6018 0.5806 0.5791 0.0649 0.0721 0.0353 1289 ASP A OD2 9926 N N . THR B 612 ? 0.4321 0.4097 0.4176 0.0688 0.0688 0.0378 1290 THR A N 9927 C CA . THR B 612 ? 0.4685 0.4413 0.4510 0.0667 0.0665 0.0384 1290 THR A CA 9928 C C . THR B 612 ? 0.5663 0.5351 0.5497 0.0694 0.0666 0.0398 1290 THR A C 9929 O O . THR B 612 ? 0.6290 0.5894 0.6084 0.0688 0.0669 0.0393 1290 THR A O 9930 C CB . THR B 612 ? 0.4293 0.4077 0.4138 0.0641 0.0639 0.0399 1290 THR A CB 9931 O OG1 . THR B 612 ? 0.4391 0.4189 0.4213 0.0617 0.0636 0.0387 1290 THR A OG1 9932 C CG2 . THR B 612 ? 0.3618 0.3370 0.3447 0.0622 0.0623 0.0412 1290 THR A CG2 9933 N N . ILE B 613 ? 0.5168 0.4912 0.5053 0.0725 0.0661 0.0417 1291 ILE A N 9934 C CA . ILE B 613 ? 0.4903 0.4605 0.4786 0.0756 0.0658 0.0436 1291 ILE A CA 9935 C C . ILE B 613 ? 0.5322 0.4949 0.5183 0.0790 0.0683 0.0422 1291 ILE A C 9936 O O . ILE B 613 ? 0.5932 0.5465 0.5754 0.0795 0.0685 0.0429 1291 ILE A O 9937 C CB . ILE B 613 ? 0.4762 0.4544 0.4698 0.0787 0.0640 0.0457 1291 ILE A CB 9938 C CG1 . ILE B 613 ? 0.5278 0.5011 0.5198 0.0824 0.0634 0.0483 1291 ILE A CG1 9939 C CG2 . ILE B 613 ? 0.4000 0.3857 0.3997 0.0813 0.0650 0.0443 1291 ILE A CG2 9940 C CD1 . ILE B 613 ? 0.5201 0.5010 0.5161 0.0860 0.0608 0.0502 1291 ILE A CD1 9941 N N . ASN B 614 ? 0.4997 0.4657 0.4879 0.0812 0.0706 0.0402 1292 ASN A N 9942 C CA . ASN B 614 ? 0.4727 0.4318 0.4586 0.0854 0.0734 0.0386 1292 ASN A CA 9943 C C . ASN B 614 ? 0.4695 0.4173 0.4471 0.0828 0.0742 0.0360 1292 ASN A C 9944 O O . ASN B 614 ? 0.4583 0.3959 0.4318 0.0853 0.0752 0.0350 1292 ASN A O 9945 C CB . ASN B 614 ? 0.4750 0.4420 0.4660 0.0887 0.0763 0.0374 1292 ASN A CB 9946 C CG . ASN B 614 ? 0.5006 0.4778 0.5007 0.0922 0.0750 0.0395 1292 ASN A CG 9947 O OD1 . ASN B 614 ? 0.4757 0.4511 0.4773 0.0972 0.0746 0.0407 1292 ASN A OD1 9948 N ND2 . ASN B 614 ? 0.5382 0.5259 0.5442 0.0897 0.0739 0.0400 1292 ASN A ND2 9949 N N . ALA B 615 ? 0.4554 0.4044 0.4302 0.0778 0.0734 0.0346 1293 ALA A N 9950 C CA . ALA B 615 ? 0.4601 0.3991 0.4272 0.0748 0.0730 0.0318 1293 ALA A CA 9951 C C . ALA B 615 ? 0.4788 0.4106 0.4444 0.0718 0.0706 0.0332 1293 ALA A C 9952 O O . ALA B 615 ? 0.5312 0.4516 0.4914 0.0711 0.0707 0.0311 1293 ALA A O 9953 C CB . ALA B 615 ? 0.4874 0.4305 0.4521 0.0709 0.0722 0.0304 1293 ALA A CB 9954 N N . ILE B 616 ? 0.4661 0.4037 0.4360 0.0698 0.0687 0.0366 1294 ILE A N 9955 C CA . ILE B 616 ? 0.5044 0.4360 0.4735 0.0670 0.0673 0.0387 1294 ILE A CA 9956 C C . ILE B 616 ? 0.5373 0.4595 0.5048 0.0712 0.0686 0.0400 1294 ILE A C 9957 O O . ILE B 616 ? 0.5866 0.4976 0.5505 0.0690 0.0685 0.0399 1294 ILE A O 9958 C CB . ILE B 616 ? 0.4674 0.4078 0.4408 0.0652 0.0657 0.0424 1294 ILE A CB 9959 C CG1 . ILE B 616 ? 0.4759 0.4245 0.4506 0.0614 0.0642 0.0412 1294 ILE A CG1 9960 C CG2 . ILE B 616 ? 0.4026 0.3368 0.3750 0.0624 0.0652 0.0452 1294 ILE A CG2 9961 C CD1 . ILE B 616 ? 0.5257 0.4699 0.4972 0.0566 0.0631 0.0386 1294 ILE A CD1 9962 N N . GLU B 617 ? 0.5229 0.4493 0.4934 0.0772 0.0698 0.0412 1295 GLU A N 9963 C CA . GLU B 617 ? 0.5233 0.4409 0.4922 0.0824 0.0709 0.0424 1295 GLU A CA 9964 C C . GLU B 617 ? 0.5862 0.4919 0.5494 0.0837 0.0728 0.0384 1295 GLU A C 9965 O O . GLU B 617 ? 0.6272 0.5201 0.5864 0.0849 0.0732 0.0388 1295 GLU A O 9966 C CB . GLU B 617 ? 0.4919 0.4184 0.4662 0.0889 0.0713 0.0441 1295 GLU A CB 9967 C CG . GLU B 617 ? 0.5353 0.4533 0.5081 0.0954 0.0722 0.0457 1295 GLU A CG 9968 C CD . GLU B 617 ? 0.5922 0.5203 0.5710 0.1015 0.0712 0.0484 1295 GLU A CD 9969 O OE1 . GLU B 617 ? 0.5646 0.5023 0.5468 0.0996 0.0688 0.0506 1295 GLU A OE1 9970 O OE2 . GLU B 617 ? 0.5870 0.5137 0.5673 0.1083 0.0725 0.0480 1295 GLU A OE2 9971 N N . GLY B 618 ? 0.5910 0.5001 0.5531 0.0837 0.0741 0.0345 1296 GLY A N 9972 C CA . GLY B 618 ? 0.6141 0.5117 0.5693 0.0854 0.0759 0.0302 1296 GLY A CA 9973 C C . GLY B 618 ? 0.5808 0.4664 0.5300 0.0794 0.0739 0.0282 1296 GLY A C 9974 O O . GLY B 618 ? 0.4722 0.3435 0.4162 0.0807 0.0743 0.0265 1296 GLY A O 9975 N N . LEU B 619 ? 0.5696 0.4608 0.5199 0.0727 0.0714 0.0283 1297 LEU A N 9976 C CA . LEU B 619 ? 0.5404 0.4225 0.4867 0.0662 0.0690 0.0263 1297 LEU A CA 9977 C C . LEU B 619 ? 0.5890 0.4622 0.5364 0.0646 0.0686 0.0298 1297 LEU A C 9978 O O . LEU B 619 ? 0.6157 0.4751 0.5586 0.0620 0.0679 0.0277 1297 LEU A O 9979 C CB . LEU B 619 ? 0.5609 0.4531 0.5099 0.0602 0.0664 0.0264 1297 LEU A CB 9980 C CG . LEU B 619 ? 0.6143 0.5082 0.5585 0.0588 0.0655 0.0217 1297 LEU A CG 9981 C CD1 . LEU B 619 ? 0.7133 0.6112 0.6556 0.0650 0.0687 0.0205 1297 LEU A CD1 9982 C CD2 . LEU B 619 ? 0.5085 0.4133 0.4564 0.0537 0.0627 0.0228 1297 LEU A CD2 9983 N N . THR B 620 ? 0.5650 0.4454 0.5177 0.0660 0.0689 0.0352 1298 THR A N 9984 C CA . THR B 620 ? 0.5502 0.4225 0.5032 0.0644 0.0689 0.0394 1298 THR A CA 9985 C C . THR B 620 ? 0.5865 0.4446 0.5351 0.0701 0.0706 0.0394 1298 THR A C 9986 O O . THR B 620 ? 0.6400 0.4837 0.5852 0.0674 0.0706 0.0399 1298 THR A O 9987 C CB . THR B 620 ? 0.5296 0.4134 0.4879 0.0654 0.0688 0.0450 1298 THR A CB 9988 O OG1 . THR B 620 ? 0.5423 0.4382 0.5042 0.0605 0.0673 0.0447 1298 THR A OG1 9989 C CG2 . THR B 620 ? 0.5139 0.3891 0.4713 0.0639 0.0694 0.0500 1298 THR A CG2 9990 N N . GLU B 621 ? 0.5823 0.4442 0.5315 0.0781 0.0722 0.0390 1299 GLU A N 9991 C CA . GLU B 621 ? 0.6286 0.4780 0.5739 0.0849 0.0739 0.0390 1299 GLU A CA 9992 C C . GLU B 621 ? 0.6625 0.4964 0.6006 0.0838 0.0744 0.0334 1299 GLU A C 9993 O O . GLU B 621 ? 0.6947 0.5121 0.6280 0.0851 0.0748 0.0337 1299 GLU A O 9994 C CB . GLU B 621 ? 0.6379 0.4973 0.5869 0.0936 0.0755 0.0392 1299 GLU A CB 9995 C CG . GLU B 621 ? 0.7561 0.6115 0.7058 0.1007 0.0760 0.0437 1299 GLU A CG 9996 C CD . GLU B 621 ? 0.8514 0.7107 0.8034 0.0979 0.0742 0.0498 1299 GLU A CD 9997 O OE1 . GLU B 621 ? 0.9540 0.8278 0.9107 0.0947 0.0729 0.0509 1299 GLU A OE1 9998 O OE2 . GLU B 621 ? 0.8942 0.7414 0.8424 0.0991 0.0743 0.0536 1299 GLU A OE2 9999 N N . TYR B 622 ? 0.6658 0.5040 0.6021 0.0813 0.0740 0.0283 1300 TYR A N 10000 C CA . TYR B 622 ? 0.6556 0.4791 0.5839 0.0795 0.0737 0.0223 1300 TYR A CA 10001 C C . TYR B 622 ? 0.6223 0.4346 0.5491 0.0710 0.0710 0.0228 1300 TYR A C 10002 O O . TYR B 622 ? 0.6642 0.4588 0.5848 0.0706 0.0708 0.0199 1300 TYR A O 10003 C CB . TYR B 622 ? 0.6176 0.4490 0.5435 0.0782 0.0734 0.0173 1300 TYR A CB 10004 C CG . TYR B 622 ? 0.6099 0.4270 0.5264 0.0761 0.0723 0.0106 1300 TYR A CG 10005 C CD1 . TYR B 622 ? 0.6007 0.4078 0.5099 0.0833 0.0750 0.0062 1300 TYR A CD1 10006 C CD2 . TYR B 622 ? 0.6298 0.4438 0.5447 0.0673 0.0685 0.0082 1300 TYR A CD2 10007 C CE1 . TYR B 622 ? 0.6202 0.4134 0.5193 0.0817 0.0737 -0.0006 1300 TYR A CE1 10008 C CE2 . TYR B 622 ? 0.6214 0.4223 0.5272 0.0652 0.0666 0.0015 1300 TYR A CE2 10009 C CZ . TYR B 622 ? 0.6564 0.4463 0.5537 0.0725 0.0692 -0.0030 1300 TYR A CZ 10010 O OH . TYR B 622 ? 0.6478 0.4237 0.5347 0.0708 0.0672 -0.0103 1300 TYR A OH 10011 N N . SER B 623 ? 0.5570 0.3795 0.4897 0.0642 0.0692 0.0262 1301 SER A N 10012 C CA . SER B 623 ? 0.5710 0.3853 0.5042 0.0554 0.0670 0.0269 1301 SER A CA 10013 C C . SER B 623 ? 0.6527 0.4531 0.5849 0.0564 0.0685 0.0315 1301 SER A C 10014 O O . SER B 623 ? 0.7310 0.5174 0.6611 0.0505 0.0674 0.0307 1301 SER A O 10015 C CB . SER B 623 ? 0.6028 0.4328 0.5434 0.0489 0.0653 0.0299 1301 SER A CB 10016 O OG . SER B 623 ? 0.6873 0.5278 0.6279 0.0473 0.0635 0.0256 1301 SER A OG 10017 N N . LEU B 624 ? 0.5972 0.4010 0.5309 0.0637 0.0707 0.0364 1302 LEU A N 10018 C CA . LEU B 624 ? 0.5908 0.3808 0.5223 0.0661 0.0721 0.0412 1302 LEU A CA 10019 C C . LEU B 624 ? 0.7040 0.4765 0.6281 0.0729 0.0734 0.0378 1302 LEU A C 10020 O O . LEU B 624 ? 0.8055 0.5612 0.7259 0.0736 0.0742 0.0407 1302 LEU A O 10021 C CB . LEU B 624 ? 0.5650 0.3661 0.5004 0.0716 0.0734 0.0480 1302 LEU A CB 10022 C CG . LEU B 624 ? 0.6226 0.4391 0.5641 0.0660 0.0726 0.0524 1302 LEU A CG 10023 C CD1 . LEU B 624 ? 0.6613 0.4878 0.6049 0.0729 0.0733 0.0578 1302 LEU A CD1 10024 C CD2 . LEU B 624 ? 0.6288 0.4366 0.5706 0.0573 0.0727 0.0557 1302 LEU A CD2 10025 N N . LEU B 625 ? 0.7014 0.4768 0.6229 0.0781 0.0738 0.0320 1303 LEU A N 10026 C CA . LEU B 625 ? 0.7227 0.4829 0.6373 0.0860 0.0755 0.0285 1303 LEU A CA 10027 C C . LEU B 625 ? 0.8359 0.5777 0.7428 0.0813 0.0742 0.0220 1303 LEU A C 10028 O O . LEU B 625 ? 0.8242 0.5470 0.7243 0.0860 0.0753 0.0201 1303 LEU A O 10029 C CB . LEU B 625 ? 0.7472 0.5200 0.6630 0.0946 0.0775 0.0256 1303 LEU A CB 10030 C CG . LEU B 625 ? 0.8915 0.6527 0.8017 0.1051 0.0801 0.0228 1303 LEU A CG 10031 C CD1 . LEU B 625 ? 0.9365 0.6888 0.8471 0.1109 0.0809 0.0288 1303 LEU A CD1 10032 C CD2 . LEU B 625 ? 0.9267 0.7041 0.8402 0.1123 0.0826 0.0205 1303 LEU A CD2 10033 N N . VAL B 626 ? 0.9303 0.6765 0.8378 0.0724 0.0715 0.0182 1304 VAL A N 10034 C CA . VAL B 626 ? 1.0257 0.7559 0.9258 0.0675 0.0693 0.0111 1304 VAL A CA 10035 C C . VAL B 626 ? 1.0592 0.7801 0.9619 0.0567 0.0668 0.0135 1304 VAL A C 10036 O O . VAL B 626 ? 1.0623 0.7933 0.9728 0.0521 0.0669 0.0201 1304 VAL A O 10037 C CB . VAL B 626 ? 1.0976 0.8387 0.9958 0.0653 0.0674 0.0047 1304 VAL A CB 10038 C CG1 . VAL B 626 ? 1.1819 0.9052 1.0696 0.0637 0.0654 -0.0040 1304 VAL A CG1 10039 C CG2 . VAL B 626 ? 1.1086 0.8645 1.0078 0.0744 0.0706 0.0048 1304 VAL A CG2 10040 N N . LYS B 627 ? 1.1136 0.8147 1.0095 0.0526 0.0648 0.0080 1305 LYS A N 10041 C CA . LYS B 627 ? 1.1789 0.8694 1.0777 0.0417 0.0625 0.0097 1305 LYS A CA 10042 C C . LYS B 627 ? 1.1819 0.8903 1.0894 0.0316 0.0595 0.0103 1305 LYS A C 10043 O O . LYS B 627 ? 1.1522 0.8707 1.0587 0.0304 0.0569 0.0047 1305 LYS A O 10044 C CB . LYS B 627 ? 1.2361 0.9024 1.1258 0.0389 0.0601 0.0021 1305 LYS A CB 10045 C CG . LYS B 627 ? 1.3115 0.9578 1.1918 0.0492 0.0630 0.0008 1305 LYS A CG 10046 C CD . LYS B 627 ? 1.3639 0.9857 1.2343 0.0462 0.0602 -0.0079 1305 LYS A CD 10047 C CE . LYS B 627 ? 1.3852 0.9858 1.2457 0.0572 0.0632 -0.0093 1305 LYS A CE 10048 N NZ . LYS B 627 ? 1.4075 0.9823 1.2573 0.0545 0.0604 -0.0183 1305 LYS A NZ 10049 N N . GLN B 628 ? 1.2509 0.9631 1.1665 0.0248 0.0601 0.0174 1306 GLN A N 10050 C CA . GLN B 628 ? 1.3141 1.0428 1.2391 0.0151 0.0576 0.0185 1306 GLN A CA 10051 C C . GLN B 628 ? 1.2742 0.9918 1.1988 0.0048 0.0531 0.0124 1306 GLN A C 10052 O O . GLN B 628 ? 1.2843 0.9850 1.2091 -0.0010 0.0532 0.0139 1306 GLN A O 10053 C CB . GLN B 628 ? 1.4195 1.1559 1.3527 0.0121 0.0605 0.0283 1306 GLN A CB 10054 C CG . GLN B 628 ? 1.4706 1.2278 1.4077 0.0187 0.0628 0.0331 1306 GLN A CG 10055 C CD . GLN B 628 ? 1.4494 1.2280 1.3932 0.0145 0.0602 0.0311 1306 GLN A CD 10056 O OE1 . GLN B 628 ? 1.4405 1.2348 1.3859 0.0201 0.0611 0.0325 1306 GLN A OE1 10057 N NE2 . GLN B 628 ? 1.4531 1.2320 1.4010 0.0046 0.0568 0.0279 1306 GLN A NE2 10058 N N . LEU B 629 ? 1.1928 0.9196 1.1168 0.0023 0.0489 0.0056 1307 LEU A N 10059 C CA . LEU B 629 ? 1.1431 0.8613 1.0667 -0.0073 0.0435 -0.0013 1307 LEU A CA 10060 C C . LEU B 629 ? 1.1023 0.8333 1.0391 -0.0188 0.0414 0.0024 1307 LEU A C 10061 O O . LEU B 629 ? 1.0711 0.8221 1.0162 -0.0185 0.0432 0.0082 1307 LEU A O 10062 C CB . LEU B 629 ? 1.0664 0.7888 0.9825 -0.0044 0.0395 -0.0103 1307 LEU A CB 10063 C CG . LEU B 629 ? 1.0108 0.7226 0.9136 0.0071 0.0417 -0.0149 1307 LEU A CG 10064 C CD1 . LEU B 629 ? 0.9782 0.6967 0.8738 0.0089 0.0379 -0.0229 1307 LEU A CD1 10065 C CD2 . LEU B 629 ? 0.9929 0.6773 0.8875 0.0077 0.0421 -0.0181 1307 LEU A CD2 10066 N N . ARG B 630 ? 1.1092 0.8285 1.0484 -0.0291 0.0376 -0.0012 1308 ARG A N 10067 C CA . ARG B 630 ? 1.0926 0.8251 1.0454 -0.0407 0.0351 0.0011 1308 ARG A CA 10068 C C . ARG B 630 ? 1.0831 0.8368 1.0391 -0.0411 0.0304 -0.0033 1308 ARG A C 10069 O O . ARG B 630 ? 1.1163 0.8678 1.0626 -0.0364 0.0270 -0.0108 1308 ARG A O 10070 C CB . ARG B 630 ? 1.1450 0.8601 1.1001 -0.0521 0.0313 -0.0027 1308 ARG A CB 10071 C CG . ARG B 630 ? 1.1565 0.8837 1.1279 -0.0648 0.0305 0.0019 1308 ARG A CG 10072 C CD . ARG B 630 ? 1.2450 0.9537 1.2191 -0.0766 0.0267 -0.0022 1308 ARG A CD 10073 N NE . ARG B 630 ? 1.2822 1.0015 1.2731 -0.0888 0.0275 0.0037 1308 ARG A NE 10074 C CZ . ARG B 630 ? 1.3021 1.0097 1.2997 -0.1015 0.0246 0.0017 1308 ARG A CZ 10075 N NH1 . ARG B 630 ? 1.3174 1.0008 1.3053 -0.1036 0.0202 -0.0065 1308 ARG A NH1 10076 N NH2 . ARG B 630 ? 1.2941 1.0141 1.3082 -0.1122 0.0262 0.0078 1308 ARG A NH2 10077 N N . LEU B 631 ? 1.0391 0.8133 1.0081 -0.0462 0.0306 0.0018 1309 LEU A N 10078 C CA . LEU B 631 ? 0.9767 0.7726 0.9495 -0.0455 0.0269 -0.0007 1309 LEU A CA 10079 C C . LEU B 631 ? 0.9905 0.7938 0.9744 -0.0575 0.0209 -0.0038 1309 LEU A C 10080 O O . LEU B 631 ? 1.0346 0.8433 1.0311 -0.0655 0.0228 0.0018 1309 LEU A O 10081 C CB . LEU B 631 ? 0.9268 0.7419 0.9055 -0.0401 0.0318 0.0072 1309 LEU A CB 10082 C CG . LEU B 631 ? 0.8967 0.7288 0.8730 -0.0334 0.0301 0.0051 1309 LEU A CG 10083 C CD1 . LEU B 631 ? 0.8393 0.6836 0.8180 -0.0263 0.0358 0.0127 1309 LEU A CD1 10084 C CD2 . LEU B 631 ? 0.9454 0.7932 0.9308 -0.0405 0.0243 0.0024 1309 LEU A CD2 10085 N N . SER B 632 ? 0.9552 0.7593 0.9344 -0.0587 0.0138 -0.0126 1310 SER A N 10086 C CA . SER B 632 ? 0.9647 0.7773 0.9544 -0.0697 0.0068 -0.0166 1310 SER A CA 10087 C C . SER B 632 ? 0.9100 0.7287 0.8917 -0.0663 -0.0004 -0.0250 1310 SER A C 10088 O O . SER B 632 ? 0.8944 0.6966 0.8632 -0.0647 -0.0041 -0.0329 1310 SER A O 10089 C CB . SER B 632 ? 1.0323 0.8255 1.0241 -0.0799 0.0045 -0.0196 1310 SER A CB 10090 O OG . SER B 632 ? 1.0602 0.8631 1.0641 -0.0912 -0.0026 -0.0234 1310 SER A OG 10091 N N . MET B 633 ? 0.8759 0.7176 0.8646 -0.0648 -0.0021 -0.0231 1311 MET A N 10092 C CA . MET B 633 ? 0.8826 0.7321 0.8642 -0.0614 -0.0088 -0.0299 1311 MET A CA 10093 C C . MET B 633 ? 0.9148 0.7863 0.9114 -0.0681 -0.0144 -0.0296 1311 MET A C 10094 O O . MET B 633 ? 0.9267 0.8122 0.9382 -0.0717 -0.0109 -0.0225 1311 MET A O 10095 C CB . MET B 633 ? 0.8401 0.6952 0.8113 -0.0490 -0.0048 -0.0278 1311 MET A CB 10096 C CG . MET B 633 ? 0.8337 0.6702 0.7906 -0.0411 0.0006 -0.0282 1311 MET A CG 10097 S SD . MET B 633 ? 0.8261 0.6707 0.7711 -0.0282 0.0034 -0.0278 1311 MET A SD 10098 C CE . MET B 633 ? 0.8214 0.6510 0.7588 -0.0201 0.0124 -0.0240 1311 MET A CE 10099 N N . ASP B 634 ? 0.9257 0.8005 0.9178 -0.0691 -0.0231 -0.0373 1312 ASP A N 10100 C CA . ASP B 634 ? 0.9528 0.8500 0.9569 -0.0728 -0.0293 -0.0378 1312 ASP A CA 10101 C C . ASP B 634 ? 0.9397 0.8463 0.9331 -0.0620 -0.0300 -0.0382 1312 ASP A C 10102 O O . ASP B 634 ? 1.0050 0.9053 0.9846 -0.0586 -0.0357 -0.0453 1312 ASP A O 10103 C CB . ASP B 634 ? 1.0684 0.9631 1.0760 -0.0824 -0.0396 -0.0462 1312 ASP A CB 10104 C CG . ASP B 634 ? 1.1821 1.0747 1.2063 -0.0951 -0.0392 -0.0443 1312 ASP A CG 10105 O OD1 . ASP B 634 ? 1.2340 1.1168 1.2602 -0.0958 -0.0309 -0.0383 1312 ASP A OD1 10106 O OD2 . ASP B 634 ? 1.2176 1.1186 1.2530 -0.1044 -0.0473 -0.0487 1312 ASP A OD2 10107 N N . ILE B 635 ? 0.8674 0.7882 0.8664 -0.0565 -0.0241 -0.0305 1313 ILE A N 10108 C CA . ILE B 635 ? 0.7983 0.7260 0.7872 -0.0461 -0.0233 -0.0297 1313 ILE A CA 10109 C C . ILE B 635 ? 0.8044 0.7532 0.8020 -0.0469 -0.0297 -0.0300 1313 ILE A C 10110 O O . ILE B 635 ? 0.8579 0.8230 0.8718 -0.0500 -0.0281 -0.0247 1313 ILE A O 10111 C CB . ILE B 635 ? 0.7309 0.6601 0.7193 -0.0390 -0.0135 -0.0218 1313 ILE A CB 10112 C CG1 . ILE B 635 ? 0.7306 0.6387 0.7082 -0.0364 -0.0081 -0.0222 1313 ILE A CG1 10113 C CG2 . ILE B 635 ? 0.7258 0.6646 0.7069 -0.0297 -0.0131 -0.0204 1313 ILE A CG2 10114 C CD1 . ILE B 635 ? 0.7145 0.6233 0.6904 -0.0290 0.0006 -0.0154 1313 ILE A CD1 10115 N N . ASP B 636 ? 0.7892 0.7377 0.7757 -0.0436 -0.0367 -0.0361 1314 ASP A N 10116 C CA . ASP B 636 ? 0.8152 0.7823 0.8076 -0.0433 -0.0440 -0.0372 1314 ASP A CA 10117 C C . ASP B 636 ? 0.7801 0.7510 0.7601 -0.0322 -0.0422 -0.0350 1314 ASP A C 10118 O O . ASP B 636 ? 0.8233 0.7810 0.7851 -0.0264 -0.0419 -0.0384 1314 ASP A O 10119 C CB . ASP B 636 ? 0.9266 0.8907 0.9160 -0.0490 -0.0551 -0.0462 1314 ASP A CB 10120 C CG . ASP B 636 ? 1.0119 0.9936 1.0035 -0.0465 -0.0634 -0.0479 1314 ASP A CG 10121 O OD1 . ASP B 636 ? 1.0533 1.0533 1.0637 -0.0519 -0.0667 -0.0460 1314 ASP A OD1 10122 O OD2 . ASP B 636 ? 1.0401 1.0176 1.0146 -0.0390 -0.0665 -0.0510 1314 ASP A OD2 10123 N N . VAL B 637 ? 0.7308 0.7194 0.7207 -0.0290 -0.0405 -0.0292 1315 VAL A N 10124 C CA . VAL B 637 ? 0.7434 0.7370 0.7235 -0.0193 -0.0396 -0.0269 1315 VAL A CA 10125 C C . VAL B 637 ? 0.7319 0.7416 0.7171 -0.0191 -0.0487 -0.0289 1315 VAL A C 10126 O O . VAL B 637 ? 0.6973 0.7228 0.7005 -0.0241 -0.0513 -0.0272 1315 VAL A O 10127 C CB . VAL B 637 ? 0.7338 0.7328 0.7190 -0.0144 -0.0304 -0.0187 1315 VAL A CB 10128 C CG1 . VAL B 637 ? 0.7908 0.7744 0.7709 -0.0142 -0.0222 -0.0170 1315 VAL A CG1 10129 C CG2 . VAL B 637 ? 0.7038 0.7203 0.7091 -0.0184 -0.0296 -0.0142 1315 VAL A CG2 10130 N N . SER B 638 ? 0.7614 0.7672 0.7305 -0.0133 -0.0537 -0.0325 1316 SER A N 10131 C CA . SER B 638 ? 0.7896 0.8085 0.7603 -0.0123 -0.0635 -0.0352 1316 SER A CA 10132 C C . SER B 638 ? 0.8002 0.8161 0.7528 -0.0020 -0.0638 -0.0343 1316 SER A C 10133 O O . SER B 638 ? 0.8211 0.8222 0.7578 0.0027 -0.0582 -0.0341 1316 SER A O 10134 C CB . SER B 638 ? 0.8392 0.8544 0.8088 -0.0194 -0.0735 -0.0438 1316 SER A CB 10135 O OG . SER B 638 ? 0.9219 0.9366 0.9069 -0.0296 -0.0726 -0.0447 1316 SER A OG 10136 N N . TYR B 639 ? 0.7996 0.8298 0.7552 0.0016 -0.0701 -0.0335 1317 TYR A N 10137 C CA . TYR B 639 ? 0.7941 0.8210 0.7316 0.0109 -0.0717 -0.0328 1317 TYR A CA 10138 C C . TYR B 639 ? 0.8485 0.8669 0.7702 0.0107 -0.0806 -0.0406 1317 TYR A C 10139 O O . TYR B 639 ? 0.9062 0.9274 0.8347 0.0034 -0.0885 -0.0466 1317 TYR A O 10140 C CB . TYR B 639 ? 0.8294 0.8737 0.7751 0.0159 -0.0749 -0.0284 1317 TYR A CB 10141 C CG . TYR B 639 ? 0.8724 0.9252 0.8323 0.0171 -0.0665 -0.0210 1317 TYR A CG 10142 C CD1 . TYR B 639 ? 0.8721 0.9187 0.8231 0.0243 -0.0585 -0.0155 1317 TYR A CD1 10143 C CD2 . TYR B 639 ? 0.8915 0.9587 0.8736 0.0111 -0.0666 -0.0197 1317 TYR A CD2 10144 C CE1 . TYR B 639 ? 0.8706 0.9242 0.8335 0.0256 -0.0515 -0.0095 1317 TYR A CE1 10145 C CE2 . TYR B 639 ? 0.8912 0.9658 0.8848 0.0127 -0.0589 -0.0132 1317 TYR A CE2 10146 C CZ . TYR B 639 ? 0.8930 0.9604 0.8765 0.0201 -0.0517 -0.0084 1317 TYR A CZ 10147 O OH . TYR B 639 ? 0.9277 1.0018 0.9217 0.0219 -0.0446 -0.0027 1317 TYR A OH 10148 N N . LYS B 640 ? 0.8494 0.8573 0.7494 0.0186 -0.0794 -0.0406 1318 LYS A N 10149 C CA . LYS B 640 ? 0.8507 0.8494 0.7324 0.0197 -0.0873 -0.0479 1318 LYS A CA 10150 C C . LYS B 640 ? 0.8971 0.9102 0.7825 0.0201 -0.0998 -0.0507 1318 LYS A C 10151 O O . LYS B 640 ? 0.9415 0.9580 0.8331 0.0132 -0.1088 -0.0574 1318 LYS A O 10152 C CB . LYS B 640 ? 0.8268 0.8115 0.6843 0.0285 -0.0817 -0.0463 1318 LYS A CB 10153 C CG . LYS B 640 ? 0.8648 0.8365 0.7011 0.0297 -0.0876 -0.0542 1318 LYS A CG 10154 C CD . LYS B 640 ? 0.9263 0.8805 0.7430 0.0351 -0.0781 -0.0533 1318 LYS A CD 10155 C CE . LYS B 640 ? 0.9729 0.9280 0.7788 0.0443 -0.0726 -0.0460 1318 LYS A CE 10156 N NZ . LYS B 640 ? 1.0098 0.9488 0.7956 0.0495 -0.0641 -0.0458 1318 LYS A NZ 10157 N N . HIS B 641 ? 0.9617 0.9833 0.8437 0.0280 -0.1007 -0.0455 1319 HIS A N 10158 C CA . HIS B 641 ? 1.1038 1.1403 0.9895 0.0298 -0.1127 -0.0474 1319 HIS A CA 10159 C C . HIS B 641 ? 1.1953 1.2522 1.1064 0.0281 -0.1126 -0.0424 1319 HIS A C 10160 O O . HIS B 641 ? 1.3479 1.4155 1.2605 0.0349 -0.1148 -0.0379 1319 HIS A O 10161 C CB . HIS B 641 ? 1.1549 1.1867 1.0184 0.0406 -0.1149 -0.0452 1319 HIS A CB 10162 C CG . HIS B 641 ? 1.2143 1.2253 1.0532 0.0445 -0.1083 -0.0461 1319 HIS A CG 10163 N ND1 . HIS B 641 ? 1.2275 1.2302 1.0599 0.0494 -0.0963 -0.0392 1319 HIS A ND1 10164 C CD2 . HIS B 641 ? 1.2593 1.2567 1.0787 0.0446 -0.1121 -0.0530 1319 HIS A CD2 10165 C CE1 . HIS B 641 ? 1.2619 1.2477 1.0728 0.0522 -0.0924 -0.0416 1319 HIS A CE1 10166 N NE2 . HIS B 641 ? 1.2869 1.2689 1.0889 0.0497 -0.1017 -0.0500 1319 HIS A NE2 10167 N N . LYS B 642 ? 1.1520 1.2136 1.0827 0.0190 -0.1096 -0.0430 1320 LYS A N 10168 C CA . LYS B 642 ? 1.1054 1.1869 1.0612 0.0164 -0.1092 -0.0388 1320 LYS A CA 10169 C C . LYS B 642 ? 1.1396 1.2236 1.1134 0.0045 -0.1086 -0.0420 1320 LYS A C 10170 O O . LYS B 642 ? 1.1798 1.2495 1.1460 -0.0011 -0.1091 -0.0474 1320 LYS A O 10171 C CB . LYS B 642 ? 1.0195 1.1019 0.9779 0.0224 -0.0981 -0.0301 1320 LYS A CB 10172 C CG . LYS B 642 ? 0.9991 1.1016 0.9725 0.0267 -0.1005 -0.0256 1320 LYS A CG 10173 C CD . LYS B 642 ? 0.9879 1.0894 0.9453 0.0377 -0.1041 -0.0232 1320 LYS A CD 10174 C CE . LYS B 642 ? 0.9397 1.0249 0.8805 0.0441 -0.0938 -0.0181 1320 LYS A CE 10175 N NZ . LYS B 642 ? 0.9172 1.0015 0.8439 0.0548 -0.0961 -0.0144 1320 LYS A NZ 10176 N N . GLY B 643 ? 1.1538 1.2557 1.1513 0.0009 -0.1073 -0.0384 1321 GLY A N 10177 C CA . GLY B 643 ? 1.1205 1.2264 1.1367 -0.0107 -0.1066 -0.0404 1321 GLY A CA 10178 C C . GLY B 643 ? 1.0590 1.1479 1.0714 -0.0141 -0.0955 -0.0384 1321 GLY A C 10179 O O . GLY B 643 ? 1.0617 1.1393 1.0612 -0.0075 -0.0872 -0.0343 1321 GLY A O 10180 N N . ALA B 644 ? 1.0145 1.1014 1.0385 -0.0248 -0.0957 -0.0414 1322 ALA A N 10181 C CA . ALA B 644 ? 1.0077 1.0797 1.0306 -0.0285 -0.0854 -0.0391 1322 ALA A CA 10182 C C . ALA B 644 ? 0.9967 1.0785 1.0329 -0.0265 -0.0755 -0.0305 1322 ALA A C 10183 O O . ALA B 644 ? 0.9893 1.0903 1.0454 -0.0295 -0.0766 -0.0279 1322 ALA A O 10184 C CB . ALA B 644 ? 1.0106 1.0775 1.0430 -0.0407 -0.0885 -0.0441 1322 ALA A CB 10185 N N . LEU B 645 ? 0.9900 1.0592 1.0152 -0.0211 -0.0659 -0.0263 1323 LEU A N 10186 C CA . LEU B 645 ? 0.9693 1.0458 1.0045 -0.0186 -0.0566 -0.0186 1323 LEU A CA 10187 C C . LEU B 645 ? 1.0514 1.1318 1.1044 -0.0283 -0.0528 -0.0170 1323 LEU A C 10188 O O . LEU B 645 ? 1.0705 1.1694 1.1421 -0.0314 -0.0537 -0.0145 1323 LEU A O 10189 C CB . LEU B 645 ? 0.9316 0.9930 0.9511 -0.0116 -0.0480 -0.0152 1323 LEU A CB 10190 C CG . LEU B 645 ? 0.9157 0.9847 0.9421 -0.0068 -0.0397 -0.0077 1323 LEU A CG 10191 C CD1 . LEU B 645 ? 0.9094 0.9979 0.9454 -0.0027 -0.0436 -0.0056 1323 LEU A CD1 10192 C CD2 . LEU B 645 ? 0.9325 0.9878 0.9422 0.0008 -0.0334 -0.0054 1323 LEU A CD2 10193 N N . HIS B 646 ? 1.1427 1.2058 1.1902 -0.0328 -0.0485 -0.0181 1324 HIS A N 10194 C CA . HIS B 646 ? 1.2159 1.2795 1.2784 -0.0429 -0.0456 -0.0170 1324 HIS A CA 10195 C C . HIS B 646 ? 1.2291 1.2692 1.2795 -0.0459 -0.0425 -0.0196 1324 HIS A C 10196 O O . HIS B 646 ? 1.2201 1.2457 1.2518 -0.0398 -0.0422 -0.0222 1324 HIS A O 10197 C CB . HIS B 646 ? 1.2918 1.3668 1.3679 -0.0422 -0.0369 -0.0089 1324 HIS A CB 10198 C CG . HIS B 646 ? 1.3571 1.4206 1.4220 -0.0354 -0.0275 -0.0042 1324 HIS A CG 10199 N ND1 . HIS B 646 ? 1.3963 1.4560 1.4469 -0.0255 -0.0265 -0.0036 1324 HIS A ND1 10200 C CD2 . HIS B 646 ? 1.3597 1.4151 1.4261 -0.0372 -0.0190 0.0002 1324 HIS A CD2 10201 C CE1 . HIS B 646 ? 1.4020 1.4524 1.4467 -0.0218 -0.0181 0.0007 1324 HIS A CE1 10202 N NE2 . HIS B 646 ? 1.3729 1.4206 1.4266 -0.0284 -0.0135 0.0030 1324 HIS A NE2 10203 N N . ASN B 647 ? 1.2664 1.3028 1.3277 -0.0550 -0.0399 -0.0188 1325 ASN A N 10204 C CA . ASN B 647 ? 1.2954 1.3091 1.3467 -0.0582 -0.0368 -0.0210 1325 ASN A CA 10205 C C . ASN B 647 ? 1.2532 1.2659 1.3172 -0.0645 -0.0291 -0.0151 1325 ASN A C 10206 O O . ASN B 647 ? 1.2374 1.2663 1.3199 -0.0704 -0.0290 -0.0119 1325 ASN A O 10207 C CB . ASN B 647 ? 1.3711 1.3749 1.4177 -0.0648 -0.0460 -0.0299 1325 ASN A CB 10208 C CG . ASN B 647 ? 1.4321 1.4490 1.4988 -0.0760 -0.0519 -0.0316 1325 ASN A CG 10209 O OD1 . ASN B 647 ? 1.4676 1.4804 1.5452 -0.0848 -0.0484 -0.0296 1325 ASN A OD1 10210 N ND2 . ASN B 647 ? 1.4378 1.4708 1.5097 -0.0759 -0.0609 -0.0352 1325 ASN A ND2 10211 N N . TYR B 648 ? 1.2310 1.2250 1.2849 -0.0628 -0.0226 -0.0134 1326 TYR A N 10212 C CA . TYR B 648 ? 1.1684 1.1581 1.2315 -0.0683 -0.0152 -0.0077 1326 TYR A CA 10213 C C . TYR B 648 ? 1.1139 1.0787 1.1662 -0.0709 -0.0138 -0.0106 1326 TYR A C 10214 O O . TYR B 648 ? 1.1001 1.0507 1.1353 -0.0647 -0.0147 -0.0148 1326 TYR A O 10215 C CB . TYR B 648 ? 1.1323 1.1283 1.1961 -0.0611 -0.0061 0.0005 1326 TYR A CB 10216 C CG . TYR B 648 ? 1.1043 1.0977 1.1531 -0.0496 -0.0047 0.0005 1326 TYR A CG 10217 C CD1 . TYR B 648 ? 1.0603 1.0358 1.0947 -0.0443 -0.0003 0.0005 1326 TYR A CD1 10218 C CD2 . TYR B 648 ? 1.1424 1.1516 1.1924 -0.0438 -0.0074 0.0007 1326 TYR A CD2 10219 C CE1 . TYR B 648 ? 1.0656 1.0399 1.0878 -0.0345 0.0014 0.0007 1326 TYR A CE1 10220 C CE2 . TYR B 648 ? 1.1148 1.1213 1.1517 -0.0340 -0.0058 0.0011 1326 TYR A CE2 10221 C CZ . TYR B 648 ? 1.0599 1.0494 1.0835 -0.0297 -0.0013 0.0011 1326 TYR A CZ 10222 O OH . TYR B 648 ? 1.0110 0.9989 1.0230 -0.0206 0.0005 0.0017 1326 TYR A OH 10223 N N . LYS B 649 ? 1.0840 1.0434 1.1463 -0.0800 -0.0111 -0.0082 1327 LYS A N 10224 C CA . LYS B 649 ? 1.1079 1.0429 1.1615 -0.0828 -0.0088 -0.0098 1327 LYS A CA 10225 C C . LYS B 649 ? 1.0433 0.9714 1.0921 -0.0764 0.0012 -0.0021 1327 LYS A C 10226 O O . LYS B 649 ? 1.0251 0.9617 1.0850 -0.0790 0.0071 0.0054 1327 LYS A O 10227 C CB . LYS B 649 ? 1.1821 1.1130 1.2486 -0.0962 -0.0112 -0.0109 1327 LYS A CB 10228 C CG . LYS B 649 ? 1.2177 1.1211 1.2747 -0.0994 -0.0093 -0.0129 1327 LYS A CG 10229 C CD . LYS B 649 ? 1.2248 1.1224 1.2935 -0.1135 -0.0135 -0.0157 1327 LYS A CD 10230 C CE . LYS B 649 ? 1.2446 1.1126 1.3021 -0.1158 -0.0120 -0.0183 1327 LYS A CE 10231 N NZ . LYS B 649 ? 1.2384 1.0911 1.2752 -0.1072 -0.0159 -0.0263 1327 LYS A NZ 10232 N N . MET B 650 ? 1.0166 0.9301 1.0485 -0.0678 0.0031 -0.0040 1328 MET A N 10233 C CA . MET B 650 ? 1.0029 0.9098 1.0290 -0.0607 0.0116 0.0024 1328 MET A CA 10234 C C . MET B 650 ? 0.9841 0.8691 1.0066 -0.0646 0.0148 0.0032 1328 MET A C 10235 O O . MET B 650 ? 0.9680 0.8356 0.9811 -0.0658 0.0111 -0.0035 1328 MET A O 10236 C CB . MET B 650 ? 0.9922 0.8966 1.0036 -0.0493 0.0122 0.0002 1328 MET A CB 10237 C CG . MET B 650 ? 1.0145 0.9168 1.0215 -0.0414 0.0200 0.0067 1328 MET A CG 10238 S SD . MET B 650 ? 1.0507 0.9539 1.0435 -0.0295 0.0201 0.0040 1328 MET A SD 10239 C CE . MET B 650 ? 1.0521 0.9800 1.0538 -0.0290 0.0168 0.0052 1328 MET A CE 10240 N N . THR B 651 ? 0.9816 0.8668 1.0109 -0.0663 0.0216 0.0112 1329 THR A N 10241 C CA . THR B 651 ? 1.0014 0.8657 1.0272 -0.0692 0.0255 0.0137 1329 THR A CA 10242 C C . THR B 651 ? 0.9727 0.8364 0.9952 -0.0616 0.0337 0.0220 1329 THR A C 10243 O O . THR B 651 ? 0.9582 0.8375 0.9818 -0.0551 0.0360 0.0254 1329 THR A O 10244 C CB . THR B 651 ? 1.0130 0.8766 1.0525 -0.0823 0.0249 0.0155 1329 THR A CB 10245 O OG1 . THR B 651 ? 0.9742 0.8592 1.0279 -0.0848 0.0286 0.0227 1329 THR A OG1 10246 C CG2 . THR B 651 ? 1.0431 0.9063 1.0860 -0.0904 0.0158 0.0065 1329 THR A CG2 10247 N N . ASP B 652 ? 1.0208 0.8654 1.0387 -0.0623 0.0378 0.0252 1330 ASP A N 10248 C CA . ASP B 652 ? 1.0593 0.9030 1.0743 -0.0556 0.0452 0.0335 1330 ASP A CA 10249 C C . ASP B 652 ? 1.0836 0.9446 1.1113 -0.0596 0.0494 0.0415 1330 ASP A C 10250 O O . ASP B 652 ? 1.0445 0.9105 1.0701 -0.0530 0.0547 0.0480 1330 ASP A O 10251 C CB . ASP B 652 ? 1.1071 0.9260 1.1145 -0.0555 0.0483 0.0356 1330 ASP A CB 10252 C CG . ASP B 652 ? 1.1769 0.9786 1.1707 -0.0494 0.0454 0.0281 1330 ASP A CG 10253 O OD1 . ASP B 652 ? 1.1897 0.9911 1.1747 -0.0386 0.0476 0.0287 1330 ASP A OD1 10254 O OD2 . ASP B 652 ? 1.2103 0.9988 1.2022 -0.0555 0.0409 0.0216 1330 ASP A OD2 10255 N N . LYS B 653 ? 1.1991 1.0697 1.2398 -0.0700 0.0469 0.0408 1331 LYS A N 10256 C CA . LYS B 653 ? 1.3231 1.2123 1.3768 -0.0736 0.0512 0.0480 1331 LYS A CA 10257 C C . LYS B 653 ? 1.3270 1.2372 1.3815 -0.0656 0.0511 0.0484 1331 LYS A C 10258 O O . LYS B 653 ? 1.3737 1.2908 1.4272 -0.0598 0.0568 0.0549 1331 LYS A O 10259 C CB . LYS B 653 ? 1.4311 1.3275 1.4999 -0.0866 0.0479 0.0463 1331 LYS A CB 10260 C CG . LYS B 653 ? 1.5402 1.4148 1.6078 -0.0954 0.0452 0.0426 1331 LYS A CG 10261 C CD . LYS B 653 ? 1.6106 1.4658 1.6727 -0.0957 0.0522 0.0498 1331 LYS A CD 10262 C CE . LYS B 653 ? 1.6609 1.4910 1.7191 -0.1030 0.0491 0.0453 1331 LYS A CE 10263 N NZ . LYS B 653 ? 1.6708 1.4885 1.7155 -0.0968 0.0429 0.0357 1331 LYS A NZ 10264 N N . ASN B 654 ? 1.2784 1.1982 1.3339 -0.0649 0.0446 0.0414 1332 ASN A N 10265 C CA . ASN B 654 ? 1.2165 1.1531 1.2708 -0.0566 0.0439 0.0411 1332 ASN A CA 10266 C C . ASN B 654 ? 1.0993 1.0291 1.1417 -0.0506 0.0387 0.0336 1332 ASN A C 10267 O O . ASN B 654 ? 1.0821 1.0069 1.1238 -0.0551 0.0325 0.0268 1332 ASN A O 10268 C CB . ASN B 654 ? 1.2304 1.1898 1.2993 -0.0612 0.0418 0.0414 1332 ASN A CB 10269 C CG . ASN B 654 ? 1.2139 1.1767 1.2868 -0.0665 0.0333 0.0335 1332 ASN A CG 10270 O OD1 . ASN B 654 ? 1.2754 1.2324 1.3549 -0.0763 0.0306 0.0312 1332 ASN A OD1 10271 N ND2 . ASN B 654 ? 1.1336 1.1052 1.2021 -0.0602 0.0288 0.0291 1332 ASN A ND2 10272 N N . PHE B 655 ? 0.9966 0.9261 1.0297 -0.0406 0.0412 0.0348 1333 PHE A N 10273 C CA . PHE B 655 ? 0.8639 0.7892 0.8860 -0.0341 0.0374 0.0287 1333 PHE A CA 10274 C C . PHE B 655 ? 0.8372 0.7739 0.8560 -0.0250 0.0393 0.0308 1333 PHE A C 10275 O O . PHE B 655 ? 0.8534 0.7874 0.8633 -0.0192 0.0372 0.0267 1333 PHE A O 10276 C CB . PHE B 655 ? 0.8156 0.7188 0.8260 -0.0316 0.0383 0.0263 1333 PHE A CB 10277 C CG . PHE B 655 ? 0.7882 0.6838 0.7949 -0.0267 0.0448 0.0326 1333 PHE A CG 10278 C CD1 . PHE B 655 ? 0.8141 0.7025 0.8253 -0.0320 0.0484 0.0378 1333 PHE A CD1 10279 C CD2 . PHE B 655 ? 0.7597 0.6551 0.7582 -0.0169 0.0471 0.0334 1333 PHE A CD2 10280 C CE1 . PHE B 655 ? 0.8453 0.7263 0.8519 -0.0268 0.0540 0.0438 1333 PHE A CE1 10281 C CE2 . PHE B 655 ? 0.7523 0.6414 0.7474 -0.0121 0.0522 0.0389 1333 PHE A CE2 10282 C CZ . PHE B 655 ? 0.8222 0.7039 0.8208 -0.0167 0.0555 0.0441 1333 PHE A CZ 10283 N N . LEU B 656 ? 0.8163 0.7650 0.8416 -0.0235 0.0435 0.0370 1334 LEU A N 10284 C CA . LEU B 656 ? 0.8006 0.7611 0.8241 -0.0158 0.0447 0.0387 1334 LEU A CA 10285 C C . LEU B 656 ? 0.8826 0.8616 0.9154 -0.0176 0.0420 0.0382 1334 LEU A C 10286 O O . LEU B 656 ? 0.9046 0.8957 0.9415 -0.0144 0.0448 0.0423 1334 LEU A O 10287 C CB . LEU B 656 ? 0.7634 0.7240 0.7860 -0.0116 0.0509 0.0453 1334 LEU A CB 10288 C CG . LEU B 656 ? 0.7758 0.7199 0.7897 -0.0082 0.0541 0.0471 1334 LEU A CG 10289 C CD1 . LEU B 656 ? 0.7664 0.7000 0.7706 -0.0040 0.0514 0.0415 1334 LEU A CD1 10290 C CD2 . LEU B 656 ? 0.8111 0.7445 0.8279 -0.0149 0.0563 0.0499 1334 LEU A CD2 10291 N N . GLY B 657 ? 0.9383 0.9195 0.9740 -0.0223 0.0361 0.0330 1335 GLY A N 10292 C CA . GLY B 657 ? 0.9805 0.9797 1.0266 -0.0245 0.0330 0.0326 1335 GLY A CA 10293 C C . GLY B 657 ? 0.9678 0.9775 1.0107 -0.0164 0.0328 0.0331 1335 GLY A C 10294 O O . GLY B 657 ? 0.9420 0.9447 0.9740 -0.0099 0.0330 0.0316 1335 GLY A O 10295 N N . ARG B 658 ? 1.0159 1.0427 1.0689 -0.0167 0.0326 0.0352 1336 ARG A N 10296 C CA . ARG B 658 ? 1.0783 1.1150 1.1292 -0.0091 0.0324 0.0358 1336 ARG A CA 10297 C C . ARG B 658 ? 1.0349 1.0699 1.0785 -0.0062 0.0262 0.0304 1336 ARG A C 10298 O O . ARG B 658 ? 1.0803 1.1126 1.1243 -0.0109 0.0210 0.0260 1336 ARG A O 10299 C CB . ARG B 658 ? 1.1993 1.2547 1.2632 -0.0099 0.0332 0.0386 1336 ARG A CB 10300 C CG . ARG B 658 ? 1.3366 1.3954 1.4069 -0.0118 0.0401 0.0446 1336 ARG A CG 10301 C CD . ARG B 658 ? 1.4501 1.5286 1.5327 -0.0113 0.0413 0.0471 1336 ARG A CD 10302 N NE . ARG B 658 ? 1.5422 1.6242 1.6294 -0.0121 0.0487 0.0531 1336 ARG A NE 10303 C CZ . ARG B 658 ? 1.5687 1.6670 1.6655 -0.0109 0.0518 0.0563 1336 ARG A CZ 10304 N NH1 . ARG B 658 ? 1.5649 1.6776 1.6684 -0.0086 0.0479 0.0540 1336 ARG A NH1 10305 N NH2 . ARG B 658 ? 1.5775 1.6776 1.6764 -0.0114 0.0590 0.0619 1336 ARG A NH2 10306 N N . PRO B 659 ? 0.9407 0.9767 0.9769 0.0015 0.0266 0.0306 1337 PRO A N 10307 C CA . PRO B 659 ? 0.9013 0.9359 0.9298 0.0047 0.0213 0.0264 1337 PRO A CA 10308 C C . PRO B 659 ? 0.8554 0.9038 0.8918 0.0031 0.0155 0.0245 1337 PRO A C 10309 O O . PRO B 659 ? 0.8902 0.9507 0.9394 -0.0003 0.0160 0.0266 1337 PRO A O 10310 C CB . PRO B 659 ? 0.8845 0.9181 0.9055 0.0127 0.0243 0.0285 1337 PRO A CB 10311 C CG . PRO B 659 ? 0.8948 0.9243 0.9165 0.0134 0.0306 0.0324 1337 PRO A CG 10312 C CD . PRO B 659 ? 0.9085 0.9445 0.9416 0.0074 0.0321 0.0347 1337 PRO A CD 10313 N N . VAL B 660 ? 0.8473 0.8943 0.8761 0.0059 0.0101 0.0208 1338 VAL A N 10314 C CA . VAL B 660 ? 0.8180 0.8778 0.8529 0.0055 0.0036 0.0188 1338 VAL A CA 10315 C C . VAL B 660 ? 0.7823 0.8412 0.8065 0.0131 0.0010 0.0180 1338 VAL A C 10316 O O . VAL B 660 ? 0.7744 0.8206 0.7853 0.0156 0.0012 0.0161 1338 VAL A O 10317 C CB . VAL B 660 ? 0.8379 0.8960 0.8754 -0.0018 -0.0027 0.0138 1338 VAL A CB 10318 C CG1 . VAL B 660 ? 0.8564 0.8964 0.8791 -0.0019 -0.0035 0.0099 1338 VAL A CG1 10319 C CG2 . VAL B 660 ? 0.8601 0.9313 0.9020 -0.0010 -0.0105 0.0112 1338 VAL A CG2 10320 N N . GLU B 661 ? 0.7977 0.8698 0.8276 0.0171 -0.0008 0.0196 1339 GLU A N 10321 C CA . GLU B 661 ? 0.8493 0.9204 0.8694 0.0246 -0.0032 0.0196 1339 GLU A CA 10322 C C . GLU B 661 ? 0.8346 0.9061 0.8497 0.0239 -0.0114 0.0151 1339 GLU A C 10323 O O . GLU B 661 ? 0.8763 0.9583 0.9015 0.0196 -0.0167 0.0130 1339 GLU A O 10324 C CB . GLU B 661 ? 0.9384 1.0221 0.9657 0.0299 -0.0021 0.0230 1339 GLU A CB 10325 C CG . GLU B 661 ? 1.0621 1.1454 1.0928 0.0312 0.0056 0.0270 1339 GLU A CG 10326 C CD . GLU B 661 ? 1.1883 1.2806 1.2221 0.0381 0.0068 0.0298 1339 GLU A CD 10327 O OE1 . GLU B 661 ? 1.2545 1.3494 1.2843 0.0429 0.0023 0.0291 1339 GLU A OE1 10328 O OE2 . GLU B 661 ? 1.2454 1.3413 1.2846 0.0390 0.0122 0.0327 1339 GLU A OE2 10329 N N . VAL B 662 ? 0.7736 0.8340 0.7732 0.0281 -0.0125 0.0137 1340 VAL A N 10330 C CA . VAL B 662 ? 0.7714 0.8305 0.7627 0.0288 -0.0202 0.0096 1340 VAL A CA 10331 C C . VAL B 662 ? 0.8357 0.9021 0.8245 0.0362 -0.0232 0.0118 1340 VAL A C 10332 O O . VAL B 662 ? 0.8834 0.9422 0.8612 0.0421 -0.0200 0.0142 1340 VAL A O 10333 C CB . VAL B 662 ? 0.7042 0.7463 0.6789 0.0291 -0.0192 0.0069 1340 VAL A CB 10334 C CG1 . VAL B 662 ? 0.7079 0.7486 0.6726 0.0303 -0.0273 0.0026 1340 VAL A CG1 10335 C CG2 . VAL B 662 ? 0.6515 0.6858 0.6291 0.0225 -0.0160 0.0050 1340 VAL A CG2 10336 N N . LEU B 663 ? 0.8222 0.9037 0.8218 0.0359 -0.0293 0.0111 1341 LEU A N 10337 C CA . LEU B 663 ? 0.8558 0.9454 0.8546 0.0436 -0.0323 0.0134 1341 LEU A CA 10338 C C . LEU B 663 ? 0.8788 0.9646 0.8642 0.0473 -0.0398 0.0108 1341 LEU A C 10339 O O . LEU B 663 ? 0.8503 0.9315 0.8248 0.0548 -0.0396 0.0134 1341 LEU A O 10340 C CB . LEU B 663 ? 0.8774 0.9867 0.8952 0.0426 -0.0349 0.0143 1341 LEU A CB 10341 C CG . LEU B 663 ? 0.8804 0.9968 0.9123 0.0404 -0.0276 0.0176 1341 LEU A CG 10342 C CD1 . LEU B 663 ? 0.8480 0.9529 0.8715 0.0445 -0.0193 0.0212 1341 LEU A CD1 10343 C CD2 . LEU B 663 ? 0.9006 1.0188 0.9428 0.0306 -0.0264 0.0157 1341 LEU A CD2 10344 N N . LEU B 664 ? 0.8930 0.9798 0.8780 0.0424 -0.0466 0.0057 1342 LEU A N 10345 C CA . LEU B 664 ? 0.8837 0.9685 0.8561 0.0461 -0.0549 0.0029 1342 LEU A CA 10346 C C . LEU B 664 ? 0.9255 0.9919 0.8761 0.0501 -0.0515 0.0033 1342 LEU A C 10347 O O . LEU B 664 ? 0.9453 1.0000 0.8914 0.0476 -0.0443 0.0037 1342 LEU A O 10348 C CB . LEU B 664 ? 0.8222 0.9116 0.7993 0.0391 -0.0632 -0.0034 1342 LEU A CB 10349 C CG . LEU B 664 ? 0.7616 0.8699 0.7621 0.0334 -0.0660 -0.0039 1342 LEU A CG 10350 C CD1 . LEU B 664 ? 0.7301 0.8420 0.7351 0.0258 -0.0748 -0.0105 1342 LEU A CD1 10351 C CD2 . LEU B 664 ? 0.7388 0.8634 0.7480 0.0402 -0.0691 -0.0006 1342 LEU A CD2 10352 N N . ASN B 665 ? 0.9669 1.0311 0.9042 0.0567 -0.0566 0.0035 1343 ASN A N 10353 C CA . ASN B 665 ? 1.0068 1.0548 0.9230 0.0616 -0.0531 0.0050 1343 ASN A CA 10354 C C . ASN B 665 ? 0.9760 1.0139 0.8778 0.0591 -0.0568 -0.0006 1343 ASN A C 10355 O O . ASN B 665 ? 0.9786 1.0076 0.8619 0.0643 -0.0583 -0.0005 1343 ASN A O 10356 C CB . ASN B 665 ? 1.1051 1.1548 1.0130 0.0705 -0.0559 0.0090 1343 ASN A CB 10357 C CG . ASN B 665 ? 1.1777 1.2328 1.0959 0.0740 -0.0506 0.0146 1343 ASN A CG 10358 O OD1 . ASN B 665 ? 1.2518 1.2969 1.1618 0.0778 -0.0438 0.0188 1343 ASN A OD1 10359 N ND2 . ASN B 665 ? 1.1939 1.2652 1.1306 0.0727 -0.0535 0.0145 1343 ASN A ND2 10360 N N . ASP B 666 ? 0.9564 0.9946 0.8657 0.0513 -0.0581 -0.0055 1344 ASP A N 10361 C CA . ASP B 666 ? 0.9249 0.9530 0.8213 0.0485 -0.0620 -0.0118 1344 ASP A CA 10362 C C . ASP B 666 ? 0.8600 0.8742 0.7521 0.0452 -0.0532 -0.0124 1344 ASP A C 10363 O O . ASP B 666 ? 0.8181 0.8329 0.7204 0.0435 -0.0454 -0.0087 1344 ASP A O 10364 C CB . ASP B 666 ? 0.9225 0.9608 0.8304 0.0419 -0.0717 -0.0178 1344 ASP A CB 10365 C CG . ASP B 666 ? 0.9394 0.9683 0.8314 0.0407 -0.0786 -0.0249 1344 ASP A CG 10366 O OD1 . ASP B 666 ? 0.9552 0.9733 0.8263 0.0471 -0.0780 -0.0246 1344 ASP A OD1 10367 O OD2 . ASP B 666 ? 0.9572 0.9891 0.8572 0.0334 -0.0847 -0.0308 1344 ASP A OD2 10368 N N . ASP B 667 ? 0.8595 0.8614 0.7357 0.0449 -0.0547 -0.0173 1345 ASP A N 10369 C CA . ASP B 667 ? 0.8631 0.8517 0.7347 0.0422 -0.0470 -0.0187 1345 ASP A CA 10370 C C . ASP B 667 ? 0.8104 0.8019 0.6985 0.0336 -0.0475 -0.0217 1345 ASP A C 10371 O O . ASP B 667 ? 0.8311 0.8290 0.7264 0.0285 -0.0558 -0.0263 1345 ASP A O 10372 C CB . ASP B 667 ? 0.9436 0.9183 0.7934 0.0446 -0.0488 -0.0238 1345 ASP A CB 10373 C CG . ASP B 667 ? 1.0204 0.9923 0.8525 0.0529 -0.0492 -0.0209 1345 ASP A CG 10374 O OD1 . ASP B 667 ? 1.0253 0.9911 0.8508 0.0573 -0.0404 -0.0158 1345 ASP A OD1 10375 O OD2 . ASP B 667 ? 1.0755 1.0512 0.9003 0.0550 -0.0585 -0.0237 1345 ASP A OD2 10376 N N . LEU B 668 ? 0.7732 0.7597 0.6671 0.0318 -0.0385 -0.0189 1346 LEU A N 10377 C CA . LEU B 668 ? 0.7448 0.7324 0.6536 0.0240 -0.0375 -0.0204 1346 LEU A CA 10378 C C . LEU B 668 ? 0.7352 0.7075 0.6343 0.0209 -0.0373 -0.0264 1346 LEU A C 10379 O O . LEU B 668 ? 0.8086 0.7687 0.6913 0.0256 -0.0335 -0.0274 1346 LEU A O 10380 C CB . LEU B 668 ? 0.7323 0.7226 0.6522 0.0242 -0.0284 -0.0141 1346 LEU A CB 10381 C CG . LEU B 668 ? 0.7501 0.7457 0.6880 0.0168 -0.0273 -0.0136 1346 LEU A CG 10382 C CD1 . LEU B 668 ? 0.7716 0.7837 0.7237 0.0134 -0.0344 -0.0139 1346 LEU A CD1 10383 C CD2 . LEU B 668 ? 0.7547 0.7508 0.6996 0.0182 -0.0181 -0.0075 1346 LEU A CD2 10384 N N . ILE B 669 ? 0.6787 0.6516 0.5880 0.0131 -0.0413 -0.0304 1347 ILE A N 10385 C CA . ILE B 669 ? 0.6961 0.6536 0.5972 0.0095 -0.0420 -0.0367 1347 ILE A CA 10386 C C . ILE B 669 ? 0.7123 0.6691 0.6293 0.0018 -0.0389 -0.0358 1347 ILE A C 10387 O O . ILE B 669 ? 0.7362 0.7040 0.6690 -0.0046 -0.0434 -0.0358 1347 ILE A O 10388 C CB . ILE B 669 ? 0.6993 0.6550 0.5922 0.0071 -0.0529 -0.0447 1347 ILE A CB 10389 C CG1 . ILE B 669 ? 0.7519 0.7054 0.6255 0.0154 -0.0553 -0.0455 1347 ILE A CG1 10390 C CG2 . ILE B 669 ? 0.6264 0.5658 0.5130 0.0023 -0.0540 -0.0517 1347 ILE A CG2 10391 C CD1 . ILE B 669 ? 0.8151 0.7674 0.6792 0.0140 -0.0668 -0.0533 1347 ILE A CD1 10392 N N . VAL B 670 ? 0.7165 0.6606 0.6293 0.0028 -0.0310 -0.0347 1348 VAL A N 10393 C CA . VAL B 670 ? 0.7386 0.6785 0.6633 -0.0036 -0.0275 -0.0336 1348 VAL A CA 10394 C C . VAL B 670 ? 0.8198 0.7418 0.7342 -0.0064 -0.0295 -0.0408 1348 VAL A C 10395 O O . VAL B 670 ? 0.8913 0.8007 0.7896 -0.0006 -0.0264 -0.0432 1348 VAL A O 10396 C CB . VAL B 670 ? 0.7475 0.6867 0.6758 0.0003 -0.0173 -0.0266 1348 VAL A CB 10397 C CG1 . VAL B 670 ? 0.7687 0.7041 0.7091 -0.0061 -0.0139 -0.0248 1348 VAL A CG1 10398 C CG2 . VAL B 670 ? 0.7407 0.6955 0.6760 0.0042 -0.0155 -0.0204 1348 VAL A CG2 10399 N N . SER B 671 ? 0.8213 0.7420 0.7452 -0.0153 -0.0346 -0.0444 1349 SER A N 10400 C CA . SER B 671 ? 0.8307 0.7337 0.7451 -0.0187 -0.0379 -0.0521 1349 SER A CA 10401 C C . SER B 671 ? 0.8273 0.7253 0.7555 -0.0277 -0.0365 -0.0514 1349 SER A C 10402 O O . SER B 671 ? 0.7768 0.6878 0.7228 -0.0327 -0.0355 -0.0462 1349 SER A O 10403 C CB . SER B 671 ? 0.8177 0.7217 0.7249 -0.0209 -0.0490 -0.0601 1349 SER A CB 10404 O OG . SER B 671 ? 0.8742 0.7960 0.7983 -0.0272 -0.0555 -0.0590 1349 SER A OG 10405 N N . THR B 672 ? 0.8583 0.7364 0.7775 -0.0294 -0.0362 -0.0567 1350 THR A N 10406 C CA . THR B 672 ? 0.8816 0.7512 0.8114 -0.0381 -0.0352 -0.0566 1350 THR A CA 10407 C C . THR B 672 ? 0.9361 0.7854 0.8538 -0.0412 -0.0405 -0.0662 1350 THR A C 10408 O O . THR B 672 ? 0.9512 0.7897 0.8501 -0.0343 -0.0411 -0.0714 1350 THR A O 10409 C CB . THR B 672 ? 0.8605 0.7245 0.7937 -0.0350 -0.0246 -0.0492 1350 THR A CB 10410 O OG1 . THR B 672 ? 0.8941 0.7491 0.8372 -0.0436 -0.0238 -0.0486 1350 THR A OG1 10411 C CG2 . THR B 672 ? 0.8235 0.6720 0.7386 -0.0256 -0.0193 -0.0511 1350 THR A CG2 10412 N N . GLY B 673 ? 0.9764 0.8203 0.9047 -0.0519 -0.0442 -0.0686 1351 GLY A N 10413 C CA . GLY B 673 ? 1.0253 0.8486 0.9436 -0.0561 -0.0496 -0.0779 1351 GLY A CA 10414 C C . GLY B 673 ? 1.0307 0.8318 0.9403 -0.0528 -0.0420 -0.0774 1351 GLY A C 10415 O O . GLY B 673 ? 1.0440 0.8440 0.9478 -0.0437 -0.0334 -0.0721 1351 GLY A O 10416 N N . PHE B 674 ? 1.0604 0.8432 0.9691 -0.0602 -0.0453 -0.0831 1352 PHE A N 10417 C CA . PHE B 674 ? 1.1026 0.8640 1.0058 -0.0581 -0.0382 -0.0818 1352 PHE A CA 10418 C C . PHE B 674 ? 1.1499 0.9189 1.0702 -0.0611 -0.0305 -0.0708 1352 PHE A C 10419 O O . PHE B 674 ? 1.1824 0.9617 1.1201 -0.0712 -0.0329 -0.0677 1352 PHE A O 10420 C CB . PHE B 674 ? 1.1124 0.8514 1.0108 -0.0659 -0.0442 -0.0907 1352 PHE A CB 10421 C CG . PHE B 674 ? 1.1536 0.8833 1.0336 -0.0630 -0.0521 -0.1023 1352 PHE A CG 10422 C CD1 . PHE B 674 ? 1.1583 0.8752 1.0173 -0.0510 -0.0481 -0.1058 1352 PHE A CD1 10423 C CD2 . PHE B 674 ? 1.2278 0.9618 1.1115 -0.0720 -0.0636 -0.1097 1352 PHE A CD2 10424 C CE1 . PHE B 674 ? 1.2178 0.9257 1.0582 -0.0478 -0.0550 -0.1164 1352 PHE A CE1 10425 C CE2 . PHE B 674 ? 1.2633 0.9882 1.1285 -0.0690 -0.0714 -0.1207 1352 PHE A CE2 10426 C CZ . PHE B 674 ? 1.2522 0.9636 1.0951 -0.0567 -0.0669 -0.1240 1352 PHE A CZ 10427 N N . GLY B 675 ? 1.1373 0.9021 1.0527 -0.0520 -0.0213 -0.0649 1353 GLY A N 10428 C CA . GLY B 675 ? 1.0940 0.8670 1.0232 -0.0531 -0.0139 -0.0543 1353 GLY A CA 10429 C C . GLY B 675 ? 1.0374 0.7929 0.9592 -0.0465 -0.0058 -0.0510 1353 GLY A C 10430 O O . GLY B 675 ? 1.0322 0.7713 0.9382 -0.0395 -0.0050 -0.0564 1353 GLY A O 10431 N N . SER B 676 ? 0.9990 0.7585 0.9324 -0.0485 0.0001 -0.0418 1354 SER A N 10432 C CA . SER B 676 ? 1.0571 0.8046 0.9859 -0.0414 0.0081 -0.0366 1354 SER A CA 10433 C C . SER B 676 ? 1.0624 0.8295 0.9983 -0.0356 0.0141 -0.0275 1354 SER A C 10434 O O . SER B 676 ? 1.1022 0.8864 1.0518 -0.0412 0.0138 -0.0223 1354 SER A O 10435 C CB . SER B 676 ? 1.1600 0.8908 1.0945 -0.0492 0.0097 -0.0339 1354 SER A CB 10436 O OG . SER B 676 ? 1.2693 0.9897 1.1998 -0.0418 0.0174 -0.0279 1354 SER A OG 10437 N N . GLY B 677 ? 1.0162 0.7813 0.9430 -0.0244 0.0192 -0.0259 1355 GLY A N 10438 C CA . GLY B 677 ? 0.9682 0.7496 0.9006 -0.0185 0.0247 -0.0179 1355 GLY A CA 10439 C C . GLY B 677 ? 0.8976 0.6883 0.8218 -0.0094 0.0252 -0.0201 1355 GLY A C 10440 O O . GLY B 677 ? 0.9369 0.7191 0.8491 -0.0060 0.0228 -0.0274 1355 GLY A O 10441 N N . LEU B 678 ? 0.8458 0.6541 0.7763 -0.0056 0.0287 -0.0137 1356 LEU A N 10442 C CA . LEU B 678 ? 0.8000 0.6174 0.7240 0.0031 0.0303 -0.0144 1356 LEU A CA 10443 C C . LEU B 678 ? 0.7624 0.6013 0.6966 0.0027 0.0311 -0.0084 1356 LEU A C 10444 O O . LEU B 678 ? 0.8281 0.6724 0.7681 0.0053 0.0358 -0.0018 1356 LEU A O 10445 C CB . LEU B 678 ? 0.8253 0.6337 0.7422 0.0124 0.0363 -0.0129 1356 LEU A CB 10446 C CG . LEU B 678 ? 0.8979 0.7160 0.8096 0.0210 0.0392 -0.0127 1356 LEU A CG 10447 C CD1 . LEU B 678 ? 0.9682 0.7810 0.8677 0.0229 0.0361 -0.0205 1356 LEU A CD1 10448 C CD2 . LEU B 678 ? 0.9251 0.7384 0.8349 0.0293 0.0455 -0.0093 1356 LEU A CD2 10449 N N . ALA B 679 ? 0.7535 0.6039 0.6890 0.0000 0.0263 -0.0110 1357 ALA A N 10450 C CA . ALA B 679 ? 0.7207 0.5907 0.6659 -0.0006 0.0264 -0.0060 1357 ALA A CA 10451 C C . ALA B 679 ? 0.7270 0.6057 0.6661 0.0071 0.0277 -0.0058 1357 ALA A C 10452 O O . ALA B 679 ? 0.7547 0.6260 0.6821 0.0118 0.0277 -0.0102 1357 ALA A O 10453 C CB . ALA B 679 ? 0.6875 0.5664 0.6406 -0.0089 0.0200 -0.0080 1357 ALA A CB 10454 N N . THR B 680 ? 0.6923 0.5864 0.6392 0.0083 0.0293 -0.0005 1358 THR A N 10455 C CA . THR B 680 ? 0.6125 0.5154 0.5551 0.0147 0.0306 0.0005 1358 THR A CA 10456 C C . THR B 680 ? 0.6568 0.5743 0.6047 0.0122 0.0263 0.0009 1358 THR A C 10457 O O . THR B 680 ? 0.6971 0.6232 0.6561 0.0073 0.0250 0.0038 1358 THR A O 10458 C CB . THR B 680 ? 0.5797 0.4870 0.5256 0.0199 0.0367 0.0064 1358 THR A CB 10459 O OG1 . THR B 680 ? 0.6382 0.5526 0.5953 0.0164 0.0377 0.0115 1358 THR A OG1 10460 C CG2 . THR B 680 ? 0.5147 0.4091 0.4545 0.0244 0.0409 0.0058 1358 THR A CG2 10461 N N . VAL B 681 ? 0.6157 0.5358 0.5555 0.0159 0.0243 -0.0016 1359 VAL A N 10462 C CA . VAL B 681 ? 0.5730 0.5057 0.5155 0.0149 0.0196 -0.0016 1359 VAL A CA 10463 C C . VAL B 681 ? 0.5883 0.5267 0.5263 0.0216 0.0227 0.0012 1359 VAL A C 10464 O O . VAL B 681 ? 0.5713 0.5032 0.4979 0.0261 0.0240 -0.0010 1359 VAL A O 10465 C CB . VAL B 681 ? 0.5486 0.4775 0.4841 0.0122 0.0127 -0.0082 1359 VAL A CB 10466 C CG1 . VAL B 681 ? 0.5267 0.4690 0.4645 0.0125 0.0079 -0.0078 1359 VAL A CG1 10467 C CG2 . VAL B 681 ? 0.5981 0.5211 0.5392 0.0046 0.0094 -0.0112 1359 VAL A CG2 10468 N N . HIS B 682 ? 0.6220 0.5721 0.5687 0.0224 0.0240 0.0062 1360 HIS A N 10469 C CA . HIS B 682 ? 0.5865 0.5419 0.5303 0.0280 0.0267 0.0092 1360 HIS A CA 10470 C C . HIS B 682 ? 0.5795 0.5464 0.5268 0.0278 0.0224 0.0101 1360 HIS A C 10471 O O . HIS B 682 ? 0.5891 0.5640 0.5462 0.0238 0.0195 0.0108 1360 HIS A O 10472 C CB . HIS B 682 ? 0.6127 0.5704 0.5627 0.0301 0.0324 0.0141 1360 HIS A CB 10473 C CG . HIS B 682 ? 0.7728 0.7200 0.7197 0.0314 0.0367 0.0137 1360 HIS A CG 10474 N ND1 . HIS B 682 ? 0.8177 0.7596 0.7570 0.0364 0.0403 0.0132 1360 HIS A ND1 10475 C CD2 . HIS B 682 ? 0.8522 0.7934 0.8029 0.0288 0.0380 0.0139 1360 HIS A CD2 10476 C CE1 . HIS B 682 ? 0.8447 0.7784 0.7835 0.0371 0.0434 0.0128 1360 HIS A CE1 10477 N NE2 . HIS B 682 ? 0.8583 0.7906 0.8035 0.0327 0.0420 0.0134 1360 HIS A NE2 10478 N N . VAL B 683 ? 0.5765 0.5444 0.5158 0.0323 0.0221 0.0103 1361 VAL A N 10479 C CA . VAL B 683 ? 0.5426 0.5203 0.4837 0.0337 0.0183 0.0117 1361 VAL A CA 10480 C C . VAL B 683 ? 0.6022 0.5818 0.5417 0.0386 0.0226 0.0159 1361 VAL A C 10481 O O . VAL B 683 ? 0.6341 0.6069 0.5648 0.0419 0.0261 0.0160 1361 VAL A O 10482 C CB . VAL B 683 ? 0.5766 0.5524 0.5079 0.0343 0.0125 0.0077 1361 VAL A CB 10483 C CG1 . VAL B 683 ? 0.5568 0.5428 0.4900 0.0367 0.0086 0.0097 1361 VAL A CG1 10484 C CG2 . VAL B 683 ? 0.6142 0.5875 0.5473 0.0287 0.0076 0.0028 1361 VAL A CG2 10485 N N . THR B 684 ? 0.6164 0.6054 0.5649 0.0392 0.0227 0.0193 1362 THR A N 10486 C CA . THR B 684 ? 0.5283 0.5191 0.4759 0.0434 0.0260 0.0230 1362 THR A CA 10487 C C . THR B 684 ? 0.5216 0.5179 0.4668 0.0461 0.0218 0.0236 1362 THR A C 10488 O O . THR B 684 ? 0.6036 0.6086 0.5561 0.0450 0.0179 0.0236 1362 THR A O 10489 C CB . THR B 684 ? 0.5343 0.5302 0.4922 0.0430 0.0292 0.0261 1362 THR A CB 10490 O OG1 . THR B 684 ? 0.5893 0.5794 0.5482 0.0415 0.0331 0.0260 1362 THR A OG1 10491 C CG2 . THR B 684 ? 0.5044 0.5021 0.4615 0.0471 0.0315 0.0292 1362 THR A CG2 10492 N N . THR B 685 ? 0.4872 0.4783 0.4223 0.0499 0.0229 0.0245 1363 THR A N 10493 C CA . THR B 685 ? 0.4605 0.4548 0.3914 0.0533 0.0193 0.0258 1363 THR A CA 10494 C C . THR B 685 ? 0.4860 0.4813 0.4192 0.0565 0.0227 0.0299 1363 THR A C 10495 O O . THR B 685 ? 0.4990 0.4886 0.4295 0.0573 0.0278 0.0315 1363 THR A O 10496 C CB . THR B 685 ? 0.5107 0.4974 0.4271 0.0555 0.0181 0.0243 1363 THR A CB 10497 O OG1 . THR B 685 ? 0.5638 0.5486 0.4774 0.0524 0.0145 0.0197 1363 THR A OG1 10498 C CG2 . THR B 685 ? 0.5018 0.4909 0.4126 0.0596 0.0141 0.0261 1363 THR A CG2 10499 N N . VAL B 686 ? 0.4591 0.4621 0.3979 0.0584 0.0197 0.0313 1364 VAL A N 10500 C CA . VAL B 686 ? 0.4900 0.4933 0.4300 0.0619 0.0218 0.0347 1364 VAL A CA 10501 C C . VAL B 686 ? 0.5318 0.5344 0.4644 0.0663 0.0180 0.0359 1364 VAL A C 10502 O O . VAL B 686 ? 0.6265 0.6362 0.5614 0.0672 0.0125 0.0347 1364 VAL A O 10503 C CB . VAL B 686 ? 0.4592 0.4711 0.4113 0.0615 0.0221 0.0354 1364 VAL A CB 10504 C CG1 . VAL B 686 ? 0.4080 0.4188 0.3601 0.0655 0.0239 0.0382 1364 VAL A CG1 10505 C CG2 . VAL B 686 ? 0.4433 0.4551 0.4016 0.0575 0.0257 0.0347 1364 VAL A CG2 10506 N N . VAL B 687 ? 0.4515 0.4460 0.3756 0.0690 0.0208 0.0385 1365 VAL A N 10507 C CA . VAL B 687 ? 0.4816 0.4735 0.3976 0.0738 0.0179 0.0407 1365 VAL A CA 10508 C C . VAL B 687 ? 0.5518 0.5395 0.4686 0.0763 0.0214 0.0442 1365 VAL A C 10509 O O . VAL B 687 ? 0.5825 0.5684 0.5042 0.0741 0.0259 0.0446 1365 VAL A O 10510 C CB . VAL B 687 ? 0.4861 0.4699 0.3877 0.0748 0.0177 0.0408 1365 VAL A CB 10511 C CG1 . VAL B 687 ? 0.5008 0.4876 0.4006 0.0724 0.0137 0.0366 1365 VAL A CG1 10512 C CG2 . VAL B 687 ? 0.4980 0.4728 0.3947 0.0734 0.0248 0.0425 1365 VAL A CG2 10513 N N . HIS B 688 ? 0.5473 0.5328 0.4585 0.0811 0.0187 0.0465 1366 HIS A N 10514 C CA . HIS B 688 ? 0.5472 0.5262 0.4571 0.0838 0.0214 0.0498 1366 HIS A CA 10515 C C . HIS B 688 ? 0.5764 0.5449 0.4725 0.0866 0.0219 0.0531 1366 HIS A C 10516 O O . HIS B 688 ? 0.6017 0.5708 0.4905 0.0901 0.0173 0.0535 1366 HIS A O 10517 C CB . HIS B 688 ? 0.6585 0.6440 0.5754 0.0878 0.0181 0.0500 1366 HIS A CB 10518 C CG . HIS B 688 ? 0.7535 0.7473 0.6831 0.0854 0.0194 0.0478 1366 HIS A CG 10519 N ND1 . HIS B 688 ? 0.7888 0.7797 0.7224 0.0855 0.0228 0.0485 1366 HIS A ND1 10520 C CD2 . HIS B 688 ? 0.7218 0.7262 0.6603 0.0826 0.0180 0.0451 1366 HIS A CD2 10521 C CE1 . HIS B 688 ? 0.7793 0.7788 0.7229 0.0835 0.0234 0.0465 1366 HIS A CE1 10522 N NE2 . HIS B 688 ? 0.7645 0.7721 0.7114 0.0816 0.0208 0.0447 1366 HIS A NE2 10523 N N . LYS B 689 ? 0.5757 0.5350 0.4684 0.0851 0.0275 0.0556 1367 LYS A N 10524 C CA . LYS B 689 ? 0.6206 0.5691 0.5001 0.0868 0.0296 0.0593 1367 LYS A CA 10525 C C . LYS B 689 ? 0.6511 0.5914 0.5291 0.0893 0.0312 0.0632 1367 LYS A C 10526 O O . LYS B 689 ? 0.6688 0.6101 0.5559 0.0881 0.0324 0.0625 1367 LYS A O 10527 C CB . LYS B 689 ? 0.6377 0.5820 0.5139 0.0825 0.0356 0.0595 1367 LYS A CB 10528 C CG . LYS B 689 ? 0.6454 0.5949 0.5202 0.0807 0.0342 0.0557 1367 LYS A CG 10529 C CD . LYS B 689 ? 0.7647 0.7091 0.6347 0.0778 0.0406 0.0561 1367 LYS A CD 10530 C CE . LYS B 689 ? 0.8738 0.8212 0.7399 0.0768 0.0390 0.0521 1367 LYS A CE 10531 N NZ . LYS B 689 ? 0.9338 0.8762 0.7940 0.0751 0.0455 0.0524 1367 LYS A NZ 10532 N N . THR B 690 ? 0.6414 0.5725 0.5067 0.0928 0.0309 0.0672 1368 THR A N 10533 C CA . THR B 690 ? 0.6214 0.5421 0.4830 0.0956 0.0321 0.0714 1368 THR A CA 10534 C C . THR B 690 ? 0.6211 0.5313 0.4798 0.0914 0.0393 0.0748 1368 THR A C 10535 O O . THR B 690 ? 0.5599 0.4605 0.4172 0.0923 0.0409 0.0780 1368 THR A O 10536 C CB . THR B 690 ? 0.6102 0.5256 0.4591 0.1022 0.0278 0.0747 1368 THR A CB 10537 O OG1 . THR B 690 ? 0.6093 0.5195 0.4452 0.1017 0.0300 0.0769 1368 THR A OG1 10538 C CG2 . THR B 690 ? 0.6139 0.5411 0.4669 0.1064 0.0202 0.0714 1368 THR A CG2 10539 N N . SER B 691 ? 0.6483 0.5600 0.5063 0.0870 0.0438 0.0741 1369 SER A N 10540 C CA . SER B 691 ? 0.6443 0.5476 0.4997 0.0831 0.0510 0.0776 1369 SER A CA 10541 C C . SER B 691 ? 0.6739 0.5843 0.5386 0.0776 0.0552 0.0745 1369 SER A C 10542 O O . SER B 691 ? 0.6056 0.5253 0.4747 0.0771 0.0528 0.0702 1369 SER A O 10543 C CB . SER B 691 ? 0.6425 0.5373 0.4817 0.0853 0.0534 0.0823 1369 SER A CB 10544 O OG . SER B 691 ? 0.6869 0.5751 0.5252 0.0810 0.0613 0.0858 1369 SER A OG 10545 N N . THR B 692 ? 0.7748 0.6803 0.6423 0.0734 0.0616 0.0771 1370 THR A N 10546 C CA . THR B 692 ? 0.7811 0.6928 0.6575 0.0686 0.0662 0.0748 1370 THR A CA 10547 C C . THR B 692 ? 0.8264 0.7327 0.6972 0.0660 0.0738 0.0789 1370 THR A C 10548 O O . THR B 692 ? 0.8201 0.7311 0.6994 0.0620 0.0785 0.0779 1370 THR A O 10549 C CB . THR B 692 ? 0.7646 0.6796 0.6554 0.0653 0.0659 0.0728 1370 THR A CB 10550 O OG1 . THR B 692 ? 0.8096 0.7247 0.7022 0.0685 0.0599 0.0713 1370 THR A OG1 10551 C CG2 . THR B 692 ? 0.8321 0.7575 0.7329 0.0627 0.0665 0.0684 1370 THR A CG2 10552 N N . SER B 693 ? 0.8662 0.7632 0.7231 0.0687 0.0753 0.0837 1371 SER A N 10553 C CA . SER B 693 ? 0.9357 0.8266 0.7870 0.0662 0.0834 0.0887 1371 SER A CA 10554 C C . SER B 693 ? 0.9172 0.8141 0.7657 0.0657 0.0877 0.0868 1371 SER A C 10555 O O . SER B 693 ? 0.9387 0.8368 0.7917 0.0619 0.0951 0.0886 1371 SER A O 10556 C CB . SER B 693 ? 1.0211 0.8997 0.8562 0.0699 0.0836 0.0946 1371 SER A CB 10557 O OG . SER B 693 ? 1.0364 0.9155 0.8584 0.0755 0.0790 0.0935 1371 SER A OG 10558 N N . GLU B 694 ? 0.9144 0.8152 0.7561 0.0694 0.0832 0.0831 1372 GLU A N 10559 C CA . GLU B 694 ? 0.9987 0.9035 0.8357 0.0697 0.0867 0.0808 1372 GLU A CA 10560 C C . GLU B 694 ? 0.9563 0.8710 0.8081 0.0666 0.0874 0.0758 1372 GLU A C 10561 O O . GLU B 694 ? 0.9653 0.8834 0.8138 0.0675 0.0889 0.0726 1372 GLU A O 10562 C CB . GLU B 694 ? 1.1471 1.0510 0.9702 0.0746 0.0810 0.0784 1372 GLU A CB 10563 C CG . GLU B 694 ? 1.2900 1.1839 1.0958 0.0787 0.0804 0.0836 1372 GLU A CG 10564 C CD . GLU B 694 ? 1.4488 1.3424 1.2395 0.0834 0.0758 0.0810 1372 GLU A CD 10565 O OE1 . GLU B 694 ? 1.5254 1.4111 1.2989 0.0867 0.0780 0.0851 1372 GLU A OE1 10566 O OE2 . GLU B 694 ? 1.5090 1.4099 1.3046 0.0836 0.0698 0.0749 1372 GLU A OE2 10567 N N . GLU B 695 ? 0.8682 0.7869 0.7351 0.0634 0.0864 0.0748 1373 GLU A N 10568 C CA . GLU B 695 ? 0.7858 0.7134 0.6666 0.0607 0.0871 0.0707 1373 GLU A CA 10569 C C . GLU B 695 ? 0.7885 0.7176 0.6782 0.0566 0.0945 0.0733 1373 GLU A C 10570 O O . GLU B 695 ? 0.8596 0.7837 0.7508 0.0544 0.0968 0.0775 1373 GLU A O 10571 C CB . GLU B 695 ? 0.7411 0.6732 0.6325 0.0602 0.0804 0.0675 1373 GLU A CB 10572 C CG . GLU B 695 ? 0.7657 0.6993 0.6520 0.0636 0.0732 0.0644 1373 GLU A CG 10573 C CD . GLU B 695 ? 0.7638 0.7022 0.6607 0.0632 0.0678 0.0619 1373 GLU A CD 10574 O OE1 . GLU B 695 ? 0.7410 0.6809 0.6352 0.0658 0.0620 0.0602 1373 GLU A OE1 10575 O OE2 . GLU B 695 ? 0.7533 0.6946 0.6614 0.0604 0.0694 0.0615 1373 GLU A OE2 10576 N N . VAL B 696 ? 0.7591 0.6952 0.6553 0.0557 0.0981 0.0708 1374 VAL A N 10577 C CA . VAL B 696 ? 0.7671 0.7071 0.6736 0.0520 0.1050 0.0729 1374 VAL A CA 10578 C C . VAL B 696 ? 0.7369 0.6809 0.6589 0.0484 0.1019 0.0718 1374 VAL A C 10579 O O . VAL B 696 ? 0.7640 0.7133 0.6930 0.0490 0.0968 0.0676 1374 VAL A O 10580 C CB . VAL B 696 ? 0.7980 0.7448 0.7070 0.0531 0.1094 0.0702 1374 VAL A CB 10581 C CG1 . VAL B 696 ? 0.7773 0.7303 0.6991 0.0495 0.1164 0.0723 1374 VAL A CG1 10582 C CG2 . VAL B 696 ? 0.8434 0.7853 0.7355 0.0570 0.1123 0.0707 1374 VAL A CG2 10583 N N . CYS B 697 ? 0.6977 0.6388 0.6247 0.0446 0.1050 0.0757 1375 CYS A N 10584 C CA . CYS B 697 ? 0.7123 0.6558 0.6529 0.0409 0.1020 0.0746 1375 CYS A CA 10585 C C . CYS B 697 ? 0.7034 0.6558 0.6584 0.0370 0.1071 0.0745 1375 CYS A C 10586 O O . CYS B 697 ? 0.7211 0.6728 0.6770 0.0343 0.1141 0.0785 1375 CYS A O 10587 C CB . CYS B 697 ? 0.7674 0.7007 0.7046 0.0391 0.1011 0.0783 1375 CYS A CB 10588 S SG . CYS B 697 ? 1.0168 0.9446 0.9488 0.0428 0.0915 0.0757 1375 CYS A SG 10589 N N . SER B 698 ? 0.5991 0.5601 0.5653 0.0369 0.1035 0.0701 1376 SER A N 10590 C CA . SER B 698 ? 0.5338 0.5047 0.5154 0.0336 0.1067 0.0695 1376 SER A CA 10591 C C . SER B 698 ? 0.5151 0.4863 0.5083 0.0288 0.1035 0.0692 1376 SER A C 10592 O O . SER B 698 ? 0.4826 0.4631 0.4899 0.0262 0.1038 0.0676 1376 SER A O 10593 C CB . SER B 698 ? 0.5249 0.5048 0.5118 0.0367 0.1046 0.0651 1376 SER A CB 10594 O OG . SER B 698 ? 0.5074 0.4859 0.4833 0.0410 0.1069 0.0645 1376 SER A OG 10595 N N . PHE B 699 ? 0.5301 0.4912 0.5173 0.0280 0.1001 0.0705 1377 PHE A N 10596 C CA . PHE B 699 ? 0.5955 0.5545 0.5917 0.0236 0.0968 0.0699 1377 PHE A CA 10597 C C . PHE B 699 ? 0.5986 0.5441 0.5863 0.0218 0.0980 0.0741 1377 PHE A C 10598 O O . PHE B 699 ? 0.6653 0.6028 0.6391 0.0259 0.0969 0.0755 1377 PHE A O 10599 C CB . PHE B 699 ? 0.5474 0.5076 0.5455 0.0259 0.0885 0.0650 1377 PHE A CB 10600 C CG . PHE B 699 ? 0.4946 0.4668 0.5020 0.0271 0.0866 0.0610 1377 PHE A CG 10601 C CD1 . PHE B 699 ? 0.5073 0.4867 0.5289 0.0234 0.0851 0.0590 1377 PHE A CD1 10602 C CD2 . PHE B 699 ? 0.4945 0.4703 0.4965 0.0320 0.0857 0.0592 1377 PHE A CD2 10603 C CE1 . PHE B 699 ? 0.4484 0.4385 0.4778 0.0252 0.0829 0.0557 1377 PHE A CE1 10604 C CE2 . PHE B 699 ? 0.5167 0.5022 0.5266 0.0334 0.0839 0.0560 1377 PHE A CE2 10605 C CZ . PHE B 699 ? 0.4496 0.4422 0.4728 0.0304 0.0825 0.0545 1377 PHE A CZ 10606 N N . TYR B 700 ? 0.5822 0.5251 0.5784 0.0157 0.1000 0.0761 1378 TYR A N 10607 C CA . TYR B 700 ? 0.5859 0.5144 0.5753 0.0138 0.0995 0.0793 1378 TYR A CA 10608 C C . TYR B 700 ? 0.6059 0.5298 0.5956 0.0154 0.0910 0.0749 1378 TYR A C 10609 O O . TYR B 700 ? 0.6157 0.5463 0.6169 0.0131 0.0871 0.0705 1378 TYR A O 10610 C CB . TYR B 700 ? 0.5911 0.5176 0.5901 0.0060 0.1048 0.0831 1378 TYR A CB 10611 C CG . TYR B 700 ? 0.6960 0.6271 0.6950 0.0042 0.1144 0.0881 1378 TYR A CG 10612 C CD1 . TYR B 700 ? 0.7325 0.6543 0.7156 0.0071 0.1192 0.0934 1378 TYR A CD1 10613 C CD2 . TYR B 700 ? 0.7350 0.6798 0.7495 0.0001 0.1187 0.0876 1378 TYR A CD2 10614 C CE1 . TYR B 700 ? 0.7780 0.7036 0.7598 0.0059 0.1285 0.0980 1378 TYR A CE1 10615 C CE2 . TYR B 700 ? 0.7552 0.7048 0.7698 -0.0010 0.1281 0.0922 1378 TYR A CE2 10616 C CZ . TYR B 700 ? 0.7858 0.7255 0.7835 0.0019 0.1332 0.0974 1378 TYR A CZ 10617 O OH . TYR B 700 ? 0.7901 0.7342 0.7865 0.0013 0.1431 0.1020 1378 TYR A OH 10618 N N . LEU B 701 ? 0.5584 0.4712 0.5349 0.0197 0.0880 0.0759 1379 LEU A N 10619 C CA . LEU B 701 ? 0.5126 0.4205 0.4875 0.0225 0.0806 0.0719 1379 LEU A CA 10620 C C . LEU B 701 ? 0.5998 0.4915 0.5686 0.0212 0.0800 0.0748 1379 LEU A C 10621 O O . LEU B 701 ? 0.6326 0.5153 0.5925 0.0212 0.0844 0.0804 1379 LEU A O 10622 C CB . LEU B 701 ? 0.5095 0.4200 0.4751 0.0300 0.0768 0.0699 1379 LEU A CB 10623 C CG . LEU B 701 ? 0.5405 0.4650 0.5107 0.0320 0.0763 0.0666 1379 LEU A CG 10624 C CD1 . LEU B 701 ? 0.4832 0.4082 0.4441 0.0385 0.0724 0.0650 1379 LEU A CD1 10625 C CD2 . LEU B 701 ? 0.5376 0.4700 0.5205 0.0295 0.0730 0.0620 1379 LEU A CD2 10626 N N . LYS B 702 ? 0.6067 0.4938 0.5794 0.0205 0.0746 0.0710 1380 LYS A N 10627 C CA . LYS B 702 ? 0.6509 0.5211 0.6157 0.0214 0.0727 0.0727 1380 LYS A CA 10628 C C . LYS B 702 ? 0.7308 0.5997 0.6967 0.0245 0.0653 0.0665 1380 LYS A C 10629 O O . LYS B 702 ? 0.7647 0.6427 0.7407 0.0222 0.0625 0.0616 1380 LYS A O 10630 C CB . LYS B 702 ? 0.6477 0.5083 0.6175 0.0134 0.0767 0.0763 1380 LYS A CB 10631 C CG . LYS B 702 ? 0.6650 0.5329 0.6511 0.0060 0.0756 0.0725 1380 LYS A CG 10632 C CD . LYS B 702 ? 0.6925 0.5507 0.6839 -0.0026 0.0799 0.0766 1380 LYS A CD 10633 C CE . LYS B 702 ? 0.7148 0.5813 0.7238 -0.0104 0.0781 0.0725 1380 LYS A CE 10634 N NZ . LYS B 702 ? 0.7330 0.5908 0.7487 -0.0197 0.0827 0.0767 1380 LYS A NZ 10635 N N . ILE B 703 ? 0.7597 0.6178 0.7149 0.0304 0.0621 0.0667 1381 ILE A N 10636 C CA . ILE B 703 ? 0.7542 0.6113 0.7090 0.0347 0.0557 0.0609 1381 ILE A CA 10637 C C . ILE B 703 ? 0.7378 0.5769 0.6830 0.0381 0.0537 0.0623 1381 ILE A C 10638 O O . ILE B 703 ? 0.7267 0.5581 0.6620 0.0415 0.0558 0.0674 1381 ILE A O 10639 C CB . ILE B 703 ? 0.7125 0.5825 0.6651 0.0414 0.0533 0.0583 1381 ILE A CB 10640 C CG1 . ILE B 703 ? 0.7025 0.5721 0.6544 0.0462 0.0475 0.0527 1381 ILE A CG1 10641 C CG2 . ILE B 703 ? 0.6464 0.5149 0.5885 0.0466 0.0551 0.0627 1381 ILE A CG2 10642 C CD1 . ILE B 703 ? 0.6939 0.5769 0.6454 0.0516 0.0456 0.0503 1381 ILE A CD1 10643 N N . ASP B 704 ? 0.7723 0.6042 0.7199 0.0374 0.0495 0.0577 1382 ASP A N 10644 C CA . ASP B 704 ? 0.8366 0.6498 0.7754 0.0406 0.0474 0.0583 1382 ASP A CA 10645 C C . ASP B 704 ? 0.8031 0.6149 0.7415 0.0452 0.0414 0.0511 1382 ASP A C 10646 O O . ASP B 704 ? 0.7822 0.6054 0.7283 0.0436 0.0389 0.0459 1382 ASP A O 10647 C CB . ASP B 704 ? 0.9423 0.7405 0.8834 0.0325 0.0500 0.0612 1382 ASP A CB 10648 C CG . ASP B 704 ? 1.0905 0.8871 1.0295 0.0288 0.0567 0.0692 1382 ASP A CG 10649 O OD1 . ASP B 704 ? 1.1908 0.9742 1.1185 0.0326 0.0583 0.0744 1382 ASP A OD1 10650 O OD2 . ASP B 704 ? 1.1211 0.9299 1.0694 0.0228 0.0605 0.0703 1382 ASP A OD2 10651 N N . THR B 705 ? 0.8223 0.6199 0.7510 0.0514 0.0391 0.0512 1383 THR A N 10652 C CA . THR B 705 ? 0.8367 0.6288 0.7632 0.0561 0.0339 0.0446 1383 THR A CA 10653 C C . THR B 705 ? 0.8779 0.6484 0.8019 0.0523 0.0328 0.0442 1383 THR A C 10654 O O . THR B 705 ? 0.9561 0.7125 0.8742 0.0516 0.0355 0.0500 1383 THR A O 10655 C CB . THR B 705 ? 0.8698 0.6632 0.7874 0.0675 0.0319 0.0442 1383 THR A CB 10656 O OG1 . THR B 705 ? 1.0126 0.7928 0.9210 0.0710 0.0336 0.0502 1383 THR A OG1 10657 C CG2 . THR B 705 ? 0.7396 0.5541 0.6605 0.0703 0.0328 0.0444 1383 THR A CG2 10658 N N . GLN B 706 ? 0.8805 0.6478 0.8085 0.0499 0.0287 0.0373 1384 GLN A N 10659 C CA . GLN B 706 ? 0.9536 0.7004 0.8805 0.0451 0.0270 0.0357 1384 GLN A CA 10660 C C . GLN B 706 ? 1.0193 0.7564 0.9393 0.0522 0.0215 0.0285 1384 GLN A C 10661 O O . GLN B 706 ? 1.0606 0.8097 0.9793 0.0591 0.0190 0.0240 1384 GLN A O 10662 C CB . GLN B 706 ? 0.9543 0.7049 0.8940 0.0331 0.0269 0.0337 1384 GLN A CB 10663 C CG . GLN B 706 ? 0.9727 0.7345 0.9205 0.0259 0.0328 0.0402 1384 GLN A CG 10664 C CD . GLN B 706 ? 1.0050 0.7743 0.9673 0.0150 0.0323 0.0375 1384 GLN A CD 10665 O OE1 . GLN B 706 ? 0.9491 0.7182 0.9155 0.0132 0.0268 0.0302 1384 GLN A OE1 10666 N NE2 . GLN B 706 ? 1.0492 0.8256 1.0194 0.0079 0.0380 0.0434 1384 GLN A NE2 10667 N N . ASP B 707 ? 1.0629 0.7775 0.9781 0.0506 0.0198 0.0276 1385 ASP A N 10668 C CA . ASP B 707 ? 1.1460 0.8491 1.0556 0.0553 0.0143 0.0195 1385 ASP A CA 10669 C C . ASP B 707 ? 1.1692 0.8719 1.0879 0.0455 0.0108 0.0132 1385 ASP A C 10670 O O . ASP B 707 ? 1.1605 0.8597 1.0875 0.0345 0.0126 0.0162 1385 ASP A O 10671 C CB . ASP B 707 ? 1.2299 0.9068 1.1281 0.0598 0.0139 0.0213 1385 ASP A CB 10672 C CG . ASP B 707 ? 1.2532 0.9308 1.1422 0.0706 0.0164 0.0271 1385 ASP A CG 10673 O OD1 . ASP B 707 ? 1.2379 0.9337 1.1268 0.0780 0.0163 0.0260 1385 ASP A OD1 10674 O OD2 . ASP B 707 ? 1.2726 0.9323 1.1545 0.0717 0.0184 0.0329 1385 ASP A OD2 10675 N N . ILE B 708 ? 1.2144 0.9218 1.1318 0.0494 0.0057 0.0047 1386 ILE A N 10676 C CA . ILE B 708 ? 1.2952 1.0051 1.2211 0.0411 0.0013 -0.0020 1386 ILE A CA 10677 C C . ILE B 708 ? 1.3651 1.0537 1.2828 0.0432 -0.0045 -0.0099 1386 ILE A C 10678 O O . ILE B 708 ? 1.3808 1.0572 1.2863 0.0533 -0.0051 -0.0112 1386 ILE A O 10679 C CB . ILE B 708 ? 1.3040 1.0384 1.2354 0.0429 -0.0003 -0.0056 1386 ILE A CB 10680 C CG1 . ILE B 708 ? 1.3229 1.0652 1.2674 0.0315 -0.0029 -0.0087 1386 ILE A CG1 10681 C CG2 . ILE B 708 ? 1.2966 1.0307 1.2178 0.0536 -0.0044 -0.0129 1386 ILE A CG2 10682 C CD1 . ILE B 708 ? 1.3239 1.0678 1.2794 0.0209 0.0020 -0.0013 1386 ILE A CD1 10683 N N . GLU B 709 ? 1.4456 1.1301 1.3706 0.0337 -0.0089 -0.0154 1387 GLU A N 10684 C CA . GLU B 709 ? 1.5565 1.2195 1.4747 0.0338 -0.0150 -0.0236 1387 GLU A CA 10685 C C . GLU B 709 ? 1.6031 1.2741 1.5166 0.0401 -0.0209 -0.0335 1387 GLU A C 10686 O O . GLU B 709 ? 1.6785 1.3459 1.5796 0.0522 -0.0215 -0.0365 1387 GLU A O 10687 C CB . GLU B 709 ? 1.5828 1.2354 1.5116 0.0193 -0.0170 -0.0245 1387 GLU A CB 10688 C CG . GLU B 709 ? 1.6104 1.2594 1.5461 0.0114 -0.0102 -0.0140 1387 GLU A CG 10689 C CD . GLU B 709 ? 1.6449 1.2965 1.5967 -0.0041 -0.0109 -0.0139 1387 GLU A CD 10690 O OE1 . GLU B 709 ? 1.6484 1.3056 1.6088 -0.0111 -0.0045 -0.0052 1387 GLU A OE1 10691 O OE2 . GLU B 709 ? 1.6604 1.3093 1.6166 -0.0093 -0.0179 -0.0227 1387 GLU A OE2 10692 N N . ALA B 710 ? 1.5898 1.2719 1.5131 0.0322 -0.0252 -0.0384 1388 ALA A N 10693 C CA . ALA B 710 ? 1.5578 1.2480 1.4765 0.0375 -0.0311 -0.0476 1388 ALA A CA 10694 C C . ALA B 710 ? 1.5415 1.2536 1.4738 0.0297 -0.0333 -0.0487 1388 ALA A C 10695 O O . ALA B 710 ? 1.5261 1.2476 1.4559 0.0330 -0.0383 -0.0556 1388 ALA A O 10696 C CB . ALA B 710 ? 1.5541 1.2214 1.4640 0.0377 -0.0382 -0.0573 1388 ALA A CB 10697 N N . LYS B 722 ? 0.9941 0.7489 0.8966 0.0847 0.0091 0.0059 1400 LYS A N 10698 C CA . LYS B 722 ? 0.9581 0.7254 0.8674 0.0798 0.0134 0.0132 1400 LYS A CA 10699 C C . LYS B 722 ? 0.9294 0.7159 0.8490 0.0733 0.0136 0.0117 1400 LYS A C 10700 O O . LYS B 722 ? 0.8793 0.6771 0.7993 0.0769 0.0116 0.0069 1400 LYS A O 10701 C CB . LYS B 722 ? 0.9290 0.7047 0.8338 0.0887 0.0159 0.0178 1400 LYS A CB 10702 C CG . LYS B 722 ? 0.9774 0.7370 0.8745 0.0924 0.0173 0.0232 1400 LYS A CG 10703 C CD . LYS B 722 ? 0.9915 0.7621 0.8855 0.1009 0.0191 0.0275 1400 LYS A CD 10704 C CE . LYS B 722 ? 0.9984 0.7546 0.8851 0.1038 0.0205 0.0340 1400 LYS A CE 10705 N NZ . LYS B 722 ? 1.0077 0.7604 0.8972 0.0943 0.0238 0.0401 1400 LYS A NZ 10706 N N . ARG B 723 ? 0.8861 0.6760 0.8135 0.0642 0.0164 0.0163 1401 ARG A N 10707 C CA . ARG B 723 ? 0.8081 0.6153 0.7460 0.0579 0.0169 0.0156 1401 ARG A CA 10708 C C . ARG B 723 ? 0.7794 0.5955 0.7218 0.0542 0.0222 0.0230 1401 ARG A C 10709 O O . ARG B 723 ? 0.7799 0.5853 0.7206 0.0513 0.0251 0.0282 1401 ARG A O 10710 C CB . ARG B 723 ? 0.7833 0.5850 0.7282 0.0489 0.0139 0.0114 1401 ARG A CB 10711 C CG . ARG B 723 ? 0.8073 0.6270 0.7630 0.0435 0.0135 0.0099 1401 ARG A CG 10712 C CD . ARG B 723 ? 0.8337 0.6486 0.7977 0.0343 0.0101 0.0060 1401 ARG A CD 10713 N NE . ARG B 723 ? 0.7890 0.5937 0.7577 0.0261 0.0134 0.0110 1401 ARG A NE 10714 C CZ . ARG B 723 ? 0.7578 0.5632 0.7379 0.0159 0.0126 0.0102 1401 ARG A CZ 10715 N NH1 . ARG B 723 ? 0.6433 0.4591 0.6311 0.0129 0.0079 0.0043 1401 ARG A NH1 10716 N NH2 . ARG B 723 ? 0.8404 0.6364 0.8244 0.0087 0.0166 0.0155 1401 ARG A NH2 10717 N N . ILE B 724 ? 0.7021 0.5369 0.6497 0.0545 0.0235 0.0235 1402 ILE A N 10718 C CA . ILE B 724 ? 0.6545 0.4985 0.6062 0.0513 0.0283 0.0297 1402 ILE A CA 10719 C C . ILE B 724 ? 0.6803 0.5303 0.6433 0.0418 0.0294 0.0297 1402 ILE A C 10720 O O . ILE B 724 ? 0.7343 0.5922 0.7034 0.0398 0.0263 0.0248 1402 ILE A O 10721 C CB . ILE B 724 ? 0.5990 0.4589 0.5498 0.0570 0.0293 0.0304 1402 ILE A CB 10722 C CG1 . ILE B 724 ? 0.6125 0.4679 0.5538 0.0653 0.0296 0.0326 1402 ILE A CG1 10723 C CG2 . ILE B 724 ? 0.5489 0.4201 0.5057 0.0524 0.0335 0.0348 1402 ILE A CG2 10724 C CD1 . ILE B 724 ? 0.6253 0.4963 0.5668 0.0699 0.0306 0.0337 1402 ILE A CD1 10725 N N . VAL B 725 ? 0.6545 0.5012 0.6202 0.0362 0.0340 0.0353 1403 VAL A N 10726 C CA . VAL B 725 ? 0.6402 0.4943 0.6175 0.0274 0.0364 0.0365 1403 VAL A CA 10727 C C . VAL B 725 ? 0.6909 0.5550 0.6687 0.0276 0.0420 0.0422 1403 VAL A C 10728 O O . VAL B 725 ? 0.7287 0.5850 0.7000 0.0283 0.0459 0.0478 1403 VAL A O 10729 C CB . VAL B 725 ? 0.5935 0.4335 0.5743 0.0196 0.0374 0.0381 1403 VAL A CB 10730 C CG1 . VAL B 725 ? 0.5591 0.4094 0.5535 0.0106 0.0405 0.0397 1403 VAL A CG1 10731 C CG2 . VAL B 725 ? 0.6062 0.4345 0.5855 0.0194 0.0312 0.0317 1403 VAL A CG2 10732 N N . ALA B 726 ? 0.6870 0.5677 0.6716 0.0274 0.0424 0.0408 1404 ALA A N 10733 C CA . ALA B 726 ? 0.6955 0.5863 0.6802 0.0283 0.0472 0.0451 1404 ALA A CA 10734 C C . ALA B 726 ? 0.7310 0.6321 0.7281 0.0214 0.0500 0.0458 1404 ALA A C 10735 O O . ALA B 726 ? 0.7397 0.6509 0.7448 0.0203 0.0471 0.0416 1404 ALA A O 10736 C CB . ALA B 726 ? 0.6722 0.5731 0.6530 0.0353 0.0453 0.0431 1404 ALA A CB 10737 N N . CYS B 727 ? 0.7206 0.6197 0.7189 0.0173 0.0559 0.0511 1405 CYS A N 10738 C CA . CYS B 727 ? 0.6996 0.6082 0.7101 0.0108 0.0598 0.0525 1405 CYS A CA 10739 C C . CYS B 727 ? 0.6281 0.5460 0.6368 0.0130 0.0653 0.0562 1405 CYS A C 10740 O O . CYS B 727 ? 0.6657 0.5777 0.6634 0.0166 0.0681 0.0600 1405 CYS A O 10741 C CB . CYS B 727 ? 0.8005 0.6992 0.8153 0.0032 0.0630 0.0559 1405 CYS A CB 10742 S SG . CYS B 727 ? 0.9336 0.8168 0.9481 0.0004 0.0568 0.0518 1405 CYS A SG 10743 N N . ALA B 728 ? 0.5572 0.4893 0.5766 0.0110 0.0666 0.0549 1406 ALA A N 10744 C CA . ALA B 728 ? 0.5327 0.4736 0.5519 0.0124 0.0722 0.0579 1406 ALA A CA 10745 C C . ALA B 728 ? 0.5730 0.5236 0.6065 0.0063 0.0764 0.0590 1406 ALA A C 10746 O O . ALA B 728 ? 0.5629 0.5173 0.6081 0.0017 0.0733 0.0561 1406 ALA A O 10747 C CB . ALA B 728 ? 0.5239 0.4741 0.5406 0.0185 0.0694 0.0548 1406 ALA A CB 10748 N N . SER B 729 ? 0.5578 0.5129 0.5903 0.0064 0.0835 0.0631 1407 SER A N 10749 C CA . SER B 729 ? 0.5426 0.5091 0.5887 0.0018 0.0886 0.0644 1407 SER A CA 10750 C C . SER B 729 ? 0.5634 0.5378 0.6056 0.0063 0.0939 0.0662 1407 SER A C 10751 O O . SER B 729 ? 0.5906 0.5579 0.6189 0.0102 0.0964 0.0687 1407 SER A O 10752 C CB . SER B 729 ? 0.5197 0.4800 0.5701 -0.0054 0.0940 0.0691 1407 SER A CB 10753 O OG . SER B 729 ? 0.5599 0.5334 0.6262 -0.0102 0.0986 0.0700 1407 SER A OG 10754 N N . TYR B 730 ? 0.5100 0.4986 0.5643 0.0059 0.0954 0.0645 1408 TYR A N 10755 C CA . TYR B 730 ? 0.5111 0.5069 0.5619 0.0109 0.0996 0.0650 1408 TYR A CA 10756 C C . TYR B 730 ? 0.5370 0.5332 0.5866 0.0091 0.1092 0.0703 1408 TYR A C 10757 O O . TYR B 730 ? 0.5297 0.5290 0.5900 0.0030 0.1135 0.0729 1408 TYR A O 10758 C CB . TYR B 730 ? 0.4834 0.4937 0.5468 0.0124 0.0972 0.0613 1408 TYR A CB 10759 C CG . TYR B 730 ? 0.5059 0.5222 0.5652 0.0181 0.1010 0.0612 1408 TYR A CG 10760 C CD1 . TYR B 730 ? 0.5132 0.5230 0.5580 0.0237 0.0990 0.0602 1408 TYR A CD1 10761 C CD2 . TYR B 730 ? 0.5437 0.5720 0.6139 0.0179 0.1065 0.0620 1408 TYR A CD2 10762 C CE1 . TYR B 730 ? 0.5278 0.5416 0.5684 0.0286 0.1021 0.0596 1408 TYR A CE1 10763 C CE2 . TYR B 730 ? 0.5510 0.5835 0.6166 0.0236 0.1099 0.0615 1408 TYR A CE2 10764 C CZ . TYR B 730 ? 0.5544 0.5788 0.6048 0.0288 0.1076 0.0602 1408 TYR A CZ 10765 O OH . TYR B 730 ? 0.5990 0.6262 0.6446 0.0341 0.1107 0.0594 1408 TYR A OH 10766 N N . LYS B 731 ? 0.5185 0.5115 0.5546 0.0143 0.1128 0.0717 1409 LYS A N 10767 C CA . LYS B 731 ? 0.5518 0.5449 0.5838 0.0139 0.1222 0.0765 1409 LYS A CA 10768 C C . LYS B 731 ? 0.4837 0.4893 0.5210 0.0176 0.1259 0.0747 1409 LYS A C 10769 O O . LYS B 731 ? 0.4738 0.4781 0.5008 0.0237 0.1247 0.0726 1409 LYS A O 10770 C CB . LYS B 731 ? 0.5910 0.5710 0.6028 0.0176 0.1235 0.0792 1409 LYS A CB 10771 C CG . LYS B 731 ? 0.6954 0.6619 0.7006 0.0149 0.1204 0.0815 1409 LYS A CG 10772 C CD . LYS B 731 ? 0.7472 0.7020 0.7323 0.0197 0.1202 0.0837 1409 LYS A CD 10773 C CE . LYS B 731 ? 0.7348 0.6881 0.7110 0.0206 0.1293 0.0886 1409 LYS A CE 10774 N NZ . LYS B 731 ? 0.7358 0.6780 0.6918 0.0258 0.1279 0.0903 1409 LYS A NZ 10775 N N . PRO B 732 ? 0.4963 0.5142 0.5499 0.0144 0.1305 0.0754 1410 PRO A N 10776 C CA . PRO B 732 ? 0.5438 0.5741 0.6035 0.0188 0.1334 0.0733 1410 PRO A CA 10777 C C . PRO B 732 ? 0.6594 0.6860 0.7046 0.0239 0.1405 0.0753 1410 PRO A C 10778 O O . PRO B 732 ? 0.6140 0.6345 0.6512 0.0222 0.1470 0.0799 1410 PRO A O 10779 C CB . PRO B 732 ? 0.5021 0.5458 0.5823 0.0135 0.1378 0.0748 1410 PRO A CB 10780 C CG . PRO B 732 ? 0.5109 0.5498 0.5977 0.0062 0.1334 0.0755 1410 PRO A CG 10781 C CD . PRO B 732 ? 0.5237 0.5451 0.5918 0.0065 0.1327 0.0780 1410 PRO A CD 10782 N N . SER B 733 ? 0.8096 0.8394 0.8509 0.0303 0.1389 0.0716 1411 SER A N 10783 C CA . SER B 733 ? 0.9119 0.9388 0.9398 0.0358 0.1449 0.0721 1411 SER A CA 10784 C C . SER B 733 ? 1.0271 1.0648 1.0643 0.0354 0.1551 0.0748 1411 SER A C 10785 O O . SER B 733 ? 1.0210 1.0681 1.0751 0.0302 0.1576 0.0768 1411 SER A O 10786 C CB . SER B 733 ? 0.9500 0.9766 0.9725 0.0421 0.1398 0.0670 1411 SER A CB 10787 O OG . SER B 733 ? 1.0015 1.0200 1.0175 0.0421 0.1309 0.0648 1411 SER A OG 10788 N N . ARG B 734 ? 1.1973 1.2339 1.2236 0.0410 0.1612 0.0747 1412 ARG A N 10789 C CA . ARG B 734 ? 1.3060 1.3531 1.3399 0.0419 0.1718 0.0772 1412 ARG A CA 10790 C C . ARG B 734 ? 1.2492 1.3120 1.3029 0.0434 0.1707 0.0741 1412 ARG A C 10791 O O . ARG B 734 ? 1.2594 1.3223 1.3124 0.0481 0.1644 0.0694 1412 ARG A O 10792 C CB . ARG B 734 ? 1.4141 1.4552 1.4295 0.0485 0.1780 0.0770 1412 ARG A CB 10793 C CG . ARG B 734 ? 1.4953 1.5313 1.5005 0.0554 0.1721 0.0712 1412 ARG A CG 10794 C CD . ARG B 734 ? 1.5849 1.6130 1.5700 0.0613 0.1778 0.0708 1412 ARG A CD 10795 N NE . ARG B 734 ? 1.6537 1.6908 1.6430 0.0633 0.1895 0.0733 1412 ARG A NE 10796 C CZ . ARG B 734 ? 1.7042 1.7360 1.6770 0.0680 0.1970 0.0742 1412 ARG A CZ 10797 N NH1 . ARG B 734 ? 1.7434 1.7608 1.6942 0.0708 0.1933 0.0725 1412 ARG A NH1 10798 N NH2 . ARG B 734 ? 1.7252 1.7666 1.7033 0.0699 0.2082 0.0766 1412 ARG A NH2 10799 N N . GLU B 735 ? 1.1315 1.2075 1.2032 0.0393 0.1767 0.0770 1413 GLU A N 10800 C CA . GLU B 735 ? 1.0426 1.1358 1.1355 0.0404 0.1763 0.0748 1413 GLU A CA 10801 C C . GLU B 735 ? 0.8848 0.9806 0.9888 0.0378 0.1649 0.0714 1413 GLU A C 10802 O O . GLU B 735 ? 0.8703 0.9789 0.9892 0.0402 0.1624 0.0687 1413 GLU A O 10803 C CB . GLU B 735 ? 1.0819 1.1793 1.1709 0.0498 0.1795 0.0715 1413 GLU A CB 10804 C CG . GLU B 735 ? 1.1285 1.2251 1.2072 0.0536 0.1913 0.0742 1413 GLU A CG 10805 C CD . GLU B 735 ? 1.1574 1.2604 1.2363 0.0628 0.1948 0.0707 1413 GLU A CD 10806 O OE1 . GLU B 735 ? 1.1635 1.2751 1.2554 0.0654 0.1894 0.0673 1413 GLU A OE1 10807 O OE2 . GLU B 735 ? 1.1707 1.2696 1.2360 0.0679 0.2030 0.0713 1413 GLU A OE2 10808 N N . GLU B 736 ? 0.7876 0.8716 0.8841 0.0335 0.1578 0.0713 1414 GLU A N 10809 C CA . GLU B 736 ? 0.7009 0.7870 0.8070 0.0309 0.1474 0.0682 1414 GLU A CA 10810 C C . GLU B 736 ? 0.6688 0.7624 0.7924 0.0222 0.1475 0.0704 1414 GLU A C 10811 O O . GLU B 736 ? 0.6290 0.7182 0.7509 0.0167 0.1532 0.0748 1414 GLU A O 10812 C CB . GLU B 736 ? 0.6436 0.7137 0.7332 0.0313 0.1395 0.0665 1414 GLU A CB 10813 C CG . GLU B 736 ? 0.6073 0.6716 0.6835 0.0390 0.1365 0.0631 1414 GLU A CG 10814 C CD . GLU B 736 ? 0.6218 0.6742 0.6868 0.0389 0.1277 0.0610 1414 GLU A CD 10815 O OE1 . GLU B 736 ? 0.6592 0.7060 0.7237 0.0337 0.1249 0.0625 1414 GLU A OE1 10816 O OE2 . GLU B 736 ? 0.6259 0.6745 0.6829 0.0441 0.1238 0.0580 1414 GLU A OE2 10817 N N . SER B 737 ? 0.6545 0.7591 0.7947 0.0209 0.1410 0.0674 1415 SER A N 10818 C CA . SER B 737 ? 0.6138 0.7268 0.7724 0.0124 0.1399 0.0685 1415 SER A CA 10819 C C . SER B 737 ? 0.6354 0.7342 0.7869 0.0064 0.1337 0.0686 1415 SER A C 10820 O O . SER B 737 ? 0.6518 0.7363 0.7856 0.0095 0.1293 0.0673 1415 SER A O 10821 C CB . SER B 737 ? 0.6218 0.7510 0.7995 0.0135 0.1337 0.0646 1415 SER A CB 10822 O OG . SER B 737 ? 0.5997 0.7225 0.7706 0.0164 0.1229 0.0603 1415 SER A OG 10823 N N . SER B 738 ? 0.6656 0.7686 0.8315 -0.0022 0.1334 0.0699 1416 SER A N 10824 C CA . SER B 738 ? 0.7134 0.8030 0.8744 -0.0082 0.1275 0.0697 1416 SER A CA 10825 C C . SER B 738 ? 0.6902 0.7809 0.8558 -0.0078 0.1154 0.0639 1416 SER A C 10826 O O . SER B 738 ? 0.6958 0.7776 0.8608 -0.0132 0.1099 0.0629 1416 SER A O 10827 C CB . SER B 738 ? 0.7295 0.8211 0.9033 -0.0182 0.1326 0.0737 1416 SER A CB 10828 O OG . SER B 738 ? 0.7766 0.8877 0.9744 -0.0218 0.1329 0.0725 1416 SER A OG 10829 N N . SER B 739 ? 0.6540 0.7544 0.8230 -0.0013 0.1114 0.0603 1417 SER A N 10830 C CA . SER B 739 ? 0.6670 0.7698 0.8404 -0.0005 0.1003 0.0551 1417 SER A CA 10831 C C . SER B 739 ? 0.6520 0.7380 0.8068 0.0019 0.0939 0.0531 1417 SER A C 10832 O O . SER B 739 ? 0.6443 0.7291 0.8010 0.0011 0.0850 0.0492 1417 SER A O 10833 C CB . SER B 739 ? 0.6991 0.8158 0.8796 0.0066 0.0982 0.0525 1417 SER A CB 10834 O OG . SER B 739 ? 0.7681 0.8788 0.9332 0.0145 0.1015 0.0531 1417 SER A OG 10835 N N . GLY B 740 ? 0.6176 0.6913 0.7549 0.0052 0.0981 0.0555 1418 GLY A N 10836 C CA . GLY B 740 ? 0.5743 0.6332 0.6949 0.0076 0.0927 0.0541 1418 GLY A CA 10837 C C . GLY B 740 ? 0.5175 0.5748 0.6263 0.0159 0.0916 0.0526 1418 GLY A C 10838 O O . GLY B 740 ? 0.4999 0.5665 0.6127 0.0201 0.0946 0.0525 1418 GLY A O 10839 N N . SER B 741 ? 0.4727 0.5180 0.5672 0.0181 0.0873 0.0515 1419 SER A N 10840 C CA . SER B 741 ? 0.4685 0.5105 0.5510 0.0250 0.0861 0.0504 1419 SER A CA 10841 C C . SER B 741 ? 0.4631 0.5127 0.5512 0.0286 0.0799 0.0467 1419 SER A C 10842 O O . SER B 741 ? 0.4497 0.5076 0.5503 0.0263 0.0761 0.0449 1419 SER A O 10843 C CB . SER B 741 ? 0.5060 0.5342 0.5730 0.0260 0.0835 0.0505 1419 SER A CB 10844 O OG . SER B 741 ? 0.5322 0.5583 0.5994 0.0260 0.0757 0.0473 1419 SER A OG 10845 N N . SER B 742 ? 0.4803 0.5266 0.5584 0.0342 0.0786 0.0458 1420 SER A N 10846 C CA . SER B 742 ? 0.4731 0.5240 0.5531 0.0383 0.0730 0.0430 1420 SER A CA 10847 C C . SER B 742 ? 0.5011 0.5438 0.5723 0.0386 0.0667 0.0413 1420 SER A C 10848 O O . SER B 742 ? 0.5618 0.5977 0.6300 0.0349 0.0657 0.0415 1420 SER A O 10849 C CB . SER B 742 ? 0.4319 0.4838 0.5070 0.0441 0.0761 0.0434 1420 SER A CB 10850 O OG . SER B 742 ? 0.5178 0.5591 0.5784 0.0457 0.0775 0.0441 1420 SER A OG 10851 N N . HIS B 743 ? 0.4835 0.5266 0.5506 0.0431 0.0626 0.0396 1421 HIS A N 10852 C CA . HIS B 743 ? 0.4709 0.5070 0.5292 0.0441 0.0575 0.0381 1421 HIS A CA 10853 C C . HIS B 743 ? 0.5389 0.5648 0.5864 0.0431 0.0597 0.0396 1421 HIS A C 10854 O O . HIS B 743 ? 0.5700 0.5927 0.6107 0.0450 0.0634 0.0411 1421 HIS A O 10855 C CB . HIS B 743 ? 0.4802 0.5177 0.5342 0.0494 0.0551 0.0374 1421 HIS A CB 10856 C CG . HIS B 743 ? 0.4724 0.5038 0.5172 0.0510 0.0509 0.0363 1421 HIS A CG 10857 N ND1 . HIS B 743 ? 0.5054 0.5363 0.5448 0.0552 0.0494 0.0363 1421 HIS A ND1 10858 C CD2 . HIS B 743 ? 0.4975 0.5232 0.5378 0.0492 0.0483 0.0353 1421 HIS A CD2 10859 C CE1 . HIS B 743 ? 0.5289 0.5551 0.5612 0.0557 0.0463 0.0355 1421 HIS A CE1 10860 N NE2 . HIS B 743 ? 0.5317 0.5548 0.5643 0.0525 0.0455 0.0347 1421 HIS A NE2 10861 N N . ALA B 744 ? 0.4850 0.5054 0.5306 0.0403 0.0571 0.0389 1422 ALA A N 10862 C CA . ALA B 744 ? 0.4443 0.4551 0.4809 0.0393 0.0589 0.0405 1422 ALA A CA 10863 C C . ALA B 744 ? 0.4774 0.4824 0.5062 0.0413 0.0542 0.0388 1422 ALA A C 10864 O O . ALA B 744 ? 0.4812 0.4887 0.5121 0.0424 0.0495 0.0362 1422 ALA A O 10865 C CB . ALA B 744 ? 0.4339 0.4418 0.4749 0.0341 0.0613 0.0420 1422 ALA A CB 10866 N N . VAL B 745 ? 0.4635 0.4610 0.4831 0.0422 0.0555 0.0402 1423 VAL A N 10867 C CA . VAL B 745 ? 0.4687 0.4608 0.4806 0.0446 0.0520 0.0391 1423 VAL A CA 10868 C C . VAL B 745 ? 0.5266 0.5098 0.5337 0.0430 0.0530 0.0406 1423 VAL A C 10869 O O . VAL B 745 ? 0.5940 0.5743 0.5980 0.0421 0.0570 0.0434 1423 VAL A O 10870 C CB . VAL B 745 ? 0.4552 0.4484 0.4607 0.0484 0.0523 0.0395 1423 VAL A CB 10871 C CG1 . VAL B 745 ? 0.4523 0.4416 0.4513 0.0510 0.0492 0.0385 1423 VAL A CG1 10872 C CG2 . VAL B 745 ? 0.4495 0.4499 0.4591 0.0501 0.0518 0.0386 1423 VAL A CG2 10873 N N . MET B 746 ? 0.4862 0.4643 0.4918 0.0430 0.0493 0.0387 1424 MET A N 10874 C CA . MET B 746 ? 0.4768 0.4447 0.4763 0.0427 0.0494 0.0400 1424 MET A CA 10875 C C . MET B 746 ? 0.5146 0.4802 0.5066 0.0477 0.0463 0.0386 1424 MET A C 10876 O O . MET B 746 ? 0.5715 0.5373 0.5636 0.0493 0.0426 0.0355 1424 MET A O 10877 C CB . MET B 746 ? 0.4536 0.4163 0.4579 0.0386 0.0478 0.0388 1424 MET A CB 10878 C CG . MET B 746 ? 0.4857 0.4521 0.4991 0.0331 0.0513 0.0405 1424 MET A CG 10879 S SD . MET B 746 ? 0.5841 0.5447 0.6050 0.0269 0.0494 0.0391 1424 MET A SD 10880 C CE . MET B 746 ? 0.6098 0.5541 0.6192 0.0280 0.0497 0.0412 1424 MET A CE 10881 N N . ASP B 747 ? 0.5216 0.4855 0.5071 0.0502 0.0479 0.0408 1425 ASP A N 10882 C CA . ASP B 747 ? 0.5249 0.4882 0.5042 0.0549 0.0456 0.0400 1425 ASP A CA 10883 C C . ASP B 747 ? 0.5987 0.5521 0.5718 0.0563 0.0452 0.0414 1425 ASP A C 10884 O O . ASP B 747 ? 0.6442 0.5935 0.6135 0.0556 0.0476 0.0445 1425 ASP A O 10885 C CB . ASP B 747 ? 0.4882 0.4574 0.4656 0.0566 0.0471 0.0413 1425 ASP A CB 10886 C CG . ASP B 747 ? 0.6117 0.5828 0.5850 0.0609 0.0450 0.0406 1425 ASP A CG 10887 O OD1 . ASP B 747 ? 0.6351 0.6016 0.6051 0.0635 0.0430 0.0400 1425 ASP A OD1 10888 O OD2 . ASP B 747 ? 0.7343 0.7118 0.7082 0.0617 0.0454 0.0407 1425 ASP A OD2 10889 N N . ILE B 748 ? 0.5464 0.4954 0.5175 0.0587 0.0421 0.0391 1426 ILE A N 10890 C CA . ILE B 748 ? 0.4997 0.4382 0.4646 0.0609 0.0412 0.0401 1426 ILE A CA 10891 C C . ILE B 748 ? 0.5278 0.4687 0.4881 0.0672 0.0392 0.0393 1426 ILE A C 10892 O O . ILE B 748 ? 0.6005 0.5440 0.5614 0.0700 0.0370 0.0361 1426 ILE A O 10893 C CB . ILE B 748 ? 0.5001 0.4298 0.4662 0.0589 0.0393 0.0379 1426 ILE A CB 10894 C CG1 . ILE B 748 ? 0.4683 0.3981 0.4414 0.0521 0.0412 0.0386 1426 ILE A CG1 10895 C CG2 . ILE B 748 ? 0.5324 0.4494 0.4914 0.0614 0.0387 0.0394 1426 ILE A CG2 10896 C CD1 . ILE B 748 ? 0.5094 0.4322 0.4855 0.0491 0.0386 0.0356 1426 ILE A CD1 10897 N N . SER B 749 ? 0.5075 0.4484 0.4633 0.0696 0.0400 0.0420 1427 SER A N 10898 C CA . SER B 749 ? 0.5322 0.4761 0.4848 0.0756 0.0380 0.0415 1427 SER A CA 10899 C C . SER B 749 ? 0.6029 0.5368 0.5511 0.0794 0.0359 0.0404 1427 SER A C 10900 O O . SER B 749 ? 0.6670 0.5896 0.6117 0.0782 0.0363 0.0422 1427 SER A O 10901 C CB . SER B 749 ? 0.5816 0.5279 0.5307 0.0770 0.0385 0.0445 1427 SER A CB 10902 O OG . SER B 749 ? 0.6657 0.6139 0.6121 0.0830 0.0362 0.0443 1427 SER A OG 10903 N N . LEU B 750 ? 0.5717 0.5092 0.5199 0.0842 0.0340 0.0375 1428 LEU A N 10904 C CA . LEU B 750 ? 0.5443 0.4712 0.4874 0.0886 0.0322 0.0363 1428 LEU A CA 10905 C C . LEU B 750 ? 0.5771 0.5044 0.5161 0.0949 0.0313 0.0384 1428 LEU A C 10906 O O . LEU B 750 ? 0.6247 0.5639 0.5662 0.0971 0.0313 0.0388 1428 LEU A O 10907 C CB . LEU B 750 ? 0.5385 0.4668 0.4823 0.0913 0.0306 0.0317 1428 LEU A CB 10908 C CG . LEU B 750 ? 0.5855 0.5113 0.5323 0.0861 0.0301 0.0289 1428 LEU A CG 10909 C CD1 . LEU B 750 ? 0.5727 0.5006 0.5182 0.0900 0.0282 0.0243 1428 LEU A CD1 10910 C CD2 . LEU B 750 ? 0.6188 0.5301 0.5638 0.0823 0.0296 0.0294 1428 LEU A CD2 10911 N N . PRO B 751 ? 0.5244 0.4389 0.4573 0.0978 0.0303 0.0396 1429 PRO A N 10912 C CA . PRO B 751 ? 0.5276 0.4426 0.4565 0.1050 0.0289 0.0415 1429 PRO A CA 10913 C C . PRO B 751 ? 0.6157 0.5390 0.5464 0.1117 0.0276 0.0384 1429 PRO A C 10914 O O . PRO B 751 ? 0.6666 0.5915 0.5993 0.1116 0.0277 0.0346 1429 PRO A O 10915 C CB . PRO B 751 ? 0.5160 0.4130 0.4376 0.1066 0.0283 0.0433 1429 PRO A CB 10916 C CG . PRO B 751 ? 0.5139 0.4028 0.4366 0.0983 0.0301 0.0438 1429 PRO A CG 10917 C CD . PRO B 751 ? 0.5233 0.4223 0.4532 0.0944 0.0305 0.0400 1429 PRO A CD 10918 N N . THR B 752 ? 0.6084 0.5377 0.5385 0.1178 0.0264 0.0399 1430 THR A N 10919 C CA . THR B 752 ? 0.5985 0.5379 0.5316 0.1246 0.0258 0.0374 1430 THR A CA 10920 C C . THR B 752 ? 0.6324 0.5608 0.5607 0.1300 0.0251 0.0342 1430 THR A C 10921 O O . THR B 752 ? 0.7001 0.6136 0.6219 0.1327 0.0238 0.0352 1430 THR A O 10922 C CB . THR B 752 ? 0.5548 0.5026 0.4888 0.1301 0.0241 0.0399 1430 THR A CB 10923 O OG1 . THR B 752 ? 0.5382 0.4946 0.4755 0.1247 0.0243 0.0423 1430 THR A OG1 10924 C CG2 . THR B 752 ? 0.5231 0.4843 0.4623 0.1366 0.0242 0.0376 1430 THR A CG2 10925 N N . GLY B 753 ? 0.5535 0.4884 0.4843 0.1316 0.0260 0.0304 1431 GLY A N 10926 C CA . GLY B 753 ? 0.5722 0.4975 0.4979 0.1371 0.0253 0.0265 1431 GLY A CA 10927 C C . GLY B 753 ? 0.6020 0.5124 0.5238 0.1318 0.0246 0.0240 1431 GLY A C 10928 O O . GLY B 753 ? 0.5769 0.4771 0.4935 0.1360 0.0235 0.0201 1431 GLY A O 10929 N N . ILE B 754 ? 0.5930 0.5020 0.5174 0.1229 0.0251 0.0259 1432 ILE A N 10930 C CA . ILE B 754 ? 0.6219 0.5191 0.5449 0.1168 0.0244 0.0237 1432 ILE A CA 10931 C C . ILE B 754 ? 0.6551 0.5624 0.5826 0.1130 0.0249 0.0207 1432 ILE A C 10932 O O . ILE B 754 ? 0.6621 0.5829 0.5950 0.1101 0.0265 0.0227 1432 ILE A O 10933 C CB . ILE B 754 ? 0.6475 0.5373 0.5712 0.1096 0.0251 0.0278 1432 ILE A CB 10934 C CG1 . ILE B 754 ? 0.6093 0.4862 0.5266 0.1138 0.0245 0.0309 1432 ILE A CG1 10935 C CG2 . ILE B 754 ? 0.6663 0.5479 0.5915 0.1022 0.0246 0.0256 1432 ILE A CG2 10936 C CD1 . ILE B 754 ? 0.5482 0.4085 0.4591 0.1179 0.0225 0.0277 1432 ILE A CD1 10937 N N . SER B 755 ? 0.6980 0.5981 0.6226 0.1132 0.0232 0.0159 1433 SER A N 10938 C CA . SER B 755 ? 0.6444 0.5527 0.5715 0.1106 0.0230 0.0128 1433 SER A CA 10939 C C . SER B 755 ? 0.6139 0.5128 0.5421 0.1033 0.0208 0.0106 1433 SER A C 10940 O O . SER B 755 ? 0.6638 0.5475 0.5883 0.1026 0.0189 0.0090 1433 SER A O 10941 C CB . SER B 755 ? 0.6718 0.5824 0.5940 0.1184 0.0225 0.0084 1433 SER A CB 10942 O OG . SER B 755 ? 0.7747 0.6937 0.6982 0.1165 0.0225 0.0060 1433 SER A OG 10943 N N . ALA B 756 ? 0.5990 0.5072 0.5328 0.0977 0.0211 0.0107 1434 ALA A N 10944 C CA . ALA B 756 ? 0.6373 0.5399 0.5743 0.0904 0.0191 0.0088 1434 ALA A CA 10945 C C . ALA B 756 ? 0.7041 0.6053 0.6379 0.0920 0.0157 0.0027 1434 ALA A C 10946 O O . ALA B 756 ? 0.6417 0.5514 0.5726 0.0971 0.0160 0.0009 1434 ALA A O 10947 C CB . ALA B 756 ? 0.5735 0.4869 0.5187 0.0839 0.0210 0.0123 1434 ALA A CB 10948 N N . ASN B 757 ? 0.7560 0.6464 0.6902 0.0873 0.0124 -0.0006 1435 ASN A N 10949 C CA . ASN B 757 ? 0.6976 0.5857 0.6287 0.0877 0.0081 -0.0071 1435 ASN A CA 10950 C C . ASN B 757 ? 0.6722 0.5735 0.6101 0.0831 0.0075 -0.0067 1435 ASN A C 10951 O O . ASN B 757 ? 0.6678 0.5701 0.6138 0.0755 0.0071 -0.0053 1435 ASN A O 10952 C CB . ASN B 757 ? 0.6746 0.5460 0.6046 0.0836 0.0043 -0.0109 1435 ASN A CB 10953 C CG . ASN B 757 ? 0.7106 0.5780 0.6357 0.0848 -0.0010 -0.0185 1435 ASN A CG 10954 O OD1 . ASN B 757 ? 0.6983 0.5766 0.6253 0.0841 -0.0026 -0.0202 1435 ASN A OD1 10955 N ND2 . ASN B 757 ? 0.7317 0.5824 0.6497 0.0869 -0.0040 -0.0231 1435 ASN A ND2 10956 N N . GLU B 758 ? 0.6706 0.5820 0.6051 0.0880 0.0078 -0.0079 1436 GLU A N 10957 C CA . GLU B 758 ? 0.6826 0.6064 0.6225 0.0850 0.0074 -0.0070 1436 GLU A CA 10958 C C . GLU B 758 ? 0.6824 0.6033 0.6238 0.0809 0.0018 -0.0122 1436 GLU A C 10959 O O . GLU B 758 ? 0.6468 0.5765 0.5952 0.0766 0.0010 -0.0110 1436 GLU A O 10960 C CB . GLU B 758 ? 0.7846 0.7187 0.7194 0.0916 0.0096 -0.0064 1436 GLU A CB 10961 C CG . GLU B 758 ? 0.8595 0.8069 0.8005 0.0891 0.0122 -0.0019 1436 GLU A CG 10962 C CD . GLU B 758 ? 0.8914 0.8479 0.8289 0.0948 0.0161 0.0008 1436 GLU A CD 10963 O OE1 . GLU B 758 ? 0.8656 0.8194 0.7976 0.1004 0.0178 0.0002 1436 GLU A OE1 10964 O OE2 . GLU B 758 ? 0.9184 0.8847 0.8590 0.0938 0.0178 0.0037 1436 GLU A OE2 10965 N N . GLU B 759 ? 0.7595 0.6680 0.6947 0.0822 -0.0024 -0.0180 1437 GLU A N 10966 C CA . GLU B 759 ? 0.8161 0.7215 0.7533 0.0777 -0.0086 -0.0234 1437 GLU A CA 10967 C C . GLU B 759 ? 0.8016 0.7058 0.7510 0.0680 -0.0091 -0.0214 1437 GLU A C 10968 O O . GLU B 759 ? 0.7802 0.6914 0.7371 0.0631 -0.0124 -0.0227 1437 GLU A O 10969 C CB . GLU B 759 ? 0.9560 0.8467 0.8830 0.0812 -0.0131 -0.0306 1437 GLU A CB 10970 C CG . GLU B 759 ? 1.1031 0.9946 1.0173 0.0915 -0.0120 -0.0329 1437 GLU A CG 10971 C CD . GLU B 759 ? 1.2469 1.1478 1.1569 0.0941 -0.0150 -0.0359 1437 GLU A CD 10972 O OE1 . GLU B 759 ? 1.3417 1.2357 1.2452 0.0950 -0.0210 -0.0430 1437 GLU A OE1 10973 O OE2 . GLU B 759 ? 1.2788 1.1934 1.1916 0.0953 -0.0114 -0.0311 1437 GLU A OE2 10974 N N . ASP B 760 ? 0.7907 0.6864 0.7423 0.0655 -0.0059 -0.0179 1438 ASP A N 10975 C CA . ASP B 760 ? 0.7781 0.6729 0.7411 0.0563 -0.0050 -0.0150 1438 ASP A CA 10976 C C . ASP B 760 ? 0.7343 0.6451 0.7066 0.0534 -0.0019 -0.0102 1438 ASP A C 10977 O O . ASP B 760 ? 0.7819 0.6975 0.7648 0.0465 -0.0032 -0.0101 1438 ASP A O 10978 C CB . ASP B 760 ? 0.8242 0.7072 0.7856 0.0555 -0.0012 -0.0111 1438 ASP A CB 10979 C CG . ASP B 760 ? 0.9301 0.7958 0.8817 0.0590 -0.0041 -0.0156 1438 ASP A CG 10980 O OD1 . ASP B 760 ? 0.9754 0.8397 0.9195 0.0642 -0.0080 -0.0215 1438 ASP A OD1 10981 O OD2 . ASP B 760 ? 0.9754 0.8284 0.9263 0.0570 -0.0023 -0.0132 1438 ASP A OD2 10982 N N . LEU B 761 ? 0.6885 0.6078 0.6577 0.0587 0.0022 -0.0063 1439 LEU A N 10983 C CA . LEU B 761 ? 0.6297 0.5629 0.6067 0.0566 0.0052 -0.0020 1439 LEU A CA 10984 C C . LEU B 761 ? 0.6243 0.5670 0.6038 0.0567 0.0011 -0.0052 1439 LEU A C 10985 O O . LEU B 761 ? 0.6532 0.6044 0.6426 0.0521 0.0011 -0.0037 1439 LEU A O 10986 C CB . LEU B 761 ? 0.5831 0.5216 0.5557 0.0618 0.0102 0.0025 1439 LEU A CB 10987 C CG . LEU B 761 ? 0.5689 0.4996 0.5391 0.0622 0.0140 0.0061 1439 LEU A CG 10988 C CD1 . LEU B 761 ? 0.5550 0.4920 0.5208 0.0678 0.0177 0.0095 1439 LEU A CD1 10989 C CD2 . LEU B 761 ? 0.4658 0.3957 0.4443 0.0551 0.0167 0.0099 1439 LEU A CD2 10990 N N . LYS B 762 ? 0.6670 0.6086 0.6374 0.0624 -0.0024 -0.0095 1440 LYS A N 10991 C CA . LYS B 762 ? 0.7315 0.6809 0.7025 0.0631 -0.0071 -0.0128 1440 LYS A CA 10992 C C . LYS B 762 ? 0.6801 0.6288 0.6607 0.0559 -0.0122 -0.0162 1440 LYS A C 10993 O O . LYS B 762 ? 0.6382 0.5975 0.6270 0.0534 -0.0140 -0.0157 1440 LYS A O 10994 C CB . LYS B 762 ? 0.8545 0.8002 0.8125 0.0703 -0.0102 -0.0176 1440 LYS A CB 10995 C CG . LYS B 762 ? 0.9663 0.9188 0.9170 0.0773 -0.0059 -0.0143 1440 LYS A CG 10996 C CD . LYS B 762 ? 1.0752 1.0242 1.0127 0.0845 -0.0086 -0.0191 1440 LYS A CD 10997 C CE . LYS B 762 ? 1.1352 1.0917 1.0662 0.0911 -0.0036 -0.0153 1440 LYS A CE 10998 N NZ . LYS B 762 ? 1.1517 1.1199 1.0868 0.0904 -0.0026 -0.0115 1440 LYS A NZ 10999 N N . ALA B 763 ? 0.6706 0.6067 0.6507 0.0524 -0.0147 -0.0196 1441 ALA A N 11000 C CA . ALA B 763 ? 0.5919 0.5267 0.5818 0.0448 -0.0198 -0.0233 1441 ALA A CA 11001 C C . ALA B 763 ? 0.6131 0.5563 0.6182 0.0376 -0.0163 -0.0183 1441 ALA A C 11002 O O . ALA B 763 ? 0.6236 0.5710 0.6396 0.0313 -0.0203 -0.0206 1441 ALA A O 11003 C CB . ALA B 763 ? 0.5530 0.4706 0.5389 0.0423 -0.0224 -0.0274 1441 ALA A CB 11004 N N . LEU B 764 ? 0.5659 0.5119 0.5721 0.0383 -0.0090 -0.0117 1442 LEU A N 11005 C CA . LEU B 764 ? 0.5618 0.5153 0.5811 0.0322 -0.0049 -0.0069 1442 LEU A CA 11006 C C . LEU B 764 ? 0.5470 0.5165 0.5720 0.0341 -0.0040 -0.0047 1442 LEU A C 11007 O O . LEU B 764 ? 0.5168 0.4941 0.5534 0.0295 -0.0011 -0.0014 1442 LEU A O 11008 C CB . LEU B 764 ? 0.6019 0.5492 0.6187 0.0320 0.0023 -0.0011 1442 LEU A CB 11009 C CG . LEU B 764 ? 0.5790 0.5099 0.5918 0.0294 0.0025 -0.0018 1442 LEU A CG 11010 C CD1 . LEU B 764 ? 0.6068 0.5330 0.6149 0.0312 0.0092 0.0042 1442 LEU A CD1 11011 C CD2 . LEU B 764 ? 0.4498 0.3780 0.4742 0.0201 0.0008 -0.0029 1442 LEU A CD2 11012 N N . VAL B 765 ? 0.5512 0.5252 0.5682 0.0408 -0.0061 -0.0061 1443 VAL A N 11013 C CA . VAL B 765 ? 0.5606 0.5480 0.5817 0.0432 -0.0052 -0.0036 1443 VAL A CA 11014 C C . VAL B 765 ? 0.5834 0.5766 0.6035 0.0457 -0.0125 -0.0084 1443 VAL A C 11015 O O . VAL B 765 ? 0.5971 0.6016 0.6252 0.0453 -0.0140 -0.0075 1443 VAL A O 11016 C CB . VAL B 765 ? 0.5550 0.5437 0.5679 0.0490 0.0003 0.0008 1443 VAL A CB 11017 C CG1 . VAL B 765 ? 0.5951 0.5793 0.6094 0.0466 0.0068 0.0053 1443 VAL A CG1 11018 C CG2 . VAL B 765 ? 0.6318 0.6145 0.6309 0.0553 -0.0014 -0.0017 1443 VAL A CG2 11019 N N . GLU B 766 ? 0.6343 0.6196 0.6439 0.0487 -0.0173 -0.0135 1444 GLU A N 11020 C CA . GLU B 766 ? 0.6661 0.6561 0.6707 0.0527 -0.0241 -0.0178 1444 GLU A CA 11021 C C . GLU B 766 ? 0.6673 0.6624 0.6829 0.0474 -0.0313 -0.0222 1444 GLU A C 11022 O O . GLU B 766 ? 0.6958 0.6980 0.7098 0.0505 -0.0372 -0.0250 1444 GLU A O 11023 C CB . GLU B 766 ? 0.7856 0.7653 0.7745 0.0582 -0.0267 -0.0222 1444 GLU A CB 11024 C CG . GLU B 766 ? 0.8891 0.8673 0.8666 0.0651 -0.0207 -0.0184 1444 GLU A CG 11025 C CD . GLU B 766 ? 1.0133 0.9844 0.9753 0.0716 -0.0235 -0.0230 1444 GLU A CD 11026 O OE1 . GLU B 766 ? 1.0809 1.0564 1.0341 0.0781 -0.0216 -0.0211 1444 GLU A OE1 11027 O OE2 . GLU B 766 ? 1.0325 0.9933 0.9910 0.0704 -0.0274 -0.0285 1444 GLU A OE2 11028 N N . GLY B 767 ? 0.6669 0.6590 0.6937 0.0394 -0.0313 -0.0229 1445 GLY A N 11029 C CA . GLY B 767 ? 0.7026 0.6993 0.7407 0.0336 -0.0386 -0.0276 1445 GLY A CA 11030 C C . GLY B 767 ? 0.7624 0.7742 0.8179 0.0295 -0.0371 -0.0241 1445 GLY A C 11031 O O . GLY B 767 ? 0.7714 0.7884 0.8306 0.0303 -0.0297 -0.0178 1445 GLY A O 11032 N N . VAL B 768 ? 0.7588 0.7780 0.8254 0.0252 -0.0446 -0.0286 1446 VAL A N 11033 C CA . VAL B 768 ? 0.6691 0.7040 0.7540 0.0212 -0.0439 -0.0259 1446 VAL A CA 11034 C C . VAL B 768 ? 0.6556 0.6889 0.7529 0.0132 -0.0367 -0.0219 1446 VAL A C 11035 O O . VAL B 768 ? 0.6615 0.7064 0.7714 0.0114 -0.0318 -0.0173 1446 VAL A O 11036 C CB . VAL B 768 ? 0.6652 0.7090 0.7593 0.0186 -0.0546 -0.0323 1446 VAL A CB 11037 C CG1 . VAL B 768 ? 0.7328 0.7952 0.8461 0.0162 -0.0539 -0.0294 1446 VAL A CG1 11038 C CG2 . VAL B 768 ? 0.6040 0.6469 0.6825 0.0271 -0.0617 -0.0364 1446 VAL A CG2 11039 N N . ASP B 769 ? 0.6538 0.6723 0.7472 0.0085 -0.0358 -0.0234 1447 ASP A N 11040 C CA . ASP B 769 ? 0.6298 0.6441 0.7318 0.0014 -0.0284 -0.0189 1447 ASP A CA 11041 C C . ASP B 769 ? 0.6070 0.6133 0.6975 0.0059 -0.0194 -0.0130 1447 ASP A C 11042 O O . ASP B 769 ? 0.6152 0.6106 0.7047 0.0017 -0.0146 -0.0105 1447 ASP A O 11043 C CB . ASP B 769 ? 0.6825 0.6841 0.7869 -0.0064 -0.0322 -0.0232 1447 ASP A CB 11044 C CG . ASP B 769 ? 0.7738 0.7575 0.8591 -0.0018 -0.0349 -0.0271 1447 ASP A CG 11045 O OD1 . ASP B 769 ? 0.7420 0.7263 0.8141 0.0070 -0.0370 -0.0285 1447 ASP A OD1 11046 O OD2 . ASP B 769 ? 0.8464 0.8153 0.9299 -0.0068 -0.0347 -0.0284 1447 ASP A OD2 11047 N N . GLN B 770 ? 0.5579 0.5692 0.6397 0.0140 -0.0174 -0.0106 1448 GLN A N 11048 C CA . GLN B 770 ? 0.5511 0.5549 0.6211 0.0187 -0.0102 -0.0060 1448 GLN A CA 11049 C C . GLN B 770 ? 0.5728 0.5765 0.6503 0.0139 -0.0019 -0.0001 1448 GLN A C 11050 O O . GLN B 770 ? 0.6045 0.6195 0.6958 0.0102 0.0005 0.0022 1448 GLN A O 11051 C CB . GLN B 770 ? 0.5253 0.5368 0.5883 0.0269 -0.0092 -0.0040 1448 GLN A CB 11052 C CG . GLN B 770 ? 0.4981 0.5250 0.5731 0.0268 -0.0074 -0.0012 1448 GLN A CG 11053 C CD . GLN B 770 ? 0.5042 0.5358 0.5711 0.0347 -0.0054 0.0015 1448 GLN A CD 11054 O OE1 . GLN B 770 ? 0.4632 0.4880 0.5163 0.0399 -0.0057 0.0011 1448 GLN A OE1 11055 N NE2 . GLN B 770 ? 0.5093 0.5526 0.5851 0.0356 -0.0032 0.0044 1448 GLN A NE2 11056 N N . LEU B 771 ? 0.5062 0.4972 0.5742 0.0145 0.0026 0.0024 1449 LEU A N 11057 C CA . LEU B 771 ? 0.4939 0.4840 0.5652 0.0117 0.0109 0.0085 1449 LEU A CA 11058 C C . LEU B 771 ? 0.5808 0.5756 0.6454 0.0181 0.0160 0.0126 1449 LEU A C 11059 O O . LEU B 771 ? 0.6105 0.6112 0.6809 0.0166 0.0220 0.0170 1449 LEU A O 11060 C CB . LEU B 771 ? 0.5398 0.5134 0.6041 0.0091 0.0130 0.0095 1449 LEU A CB 11061 C CG . LEU B 771 ? 0.4863 0.4568 0.5536 0.0051 0.0211 0.0157 1449 LEU A CG 11062 C CD1 . LEU B 771 ? 0.4325 0.4133 0.5171 -0.0024 0.0231 0.0172 1449 LEU A CD1 11063 C CD2 . LEU B 771 ? 0.4453 0.3981 0.5046 0.0032 0.0219 0.0163 1449 LEU A CD2 11064 N N . PHE B 772 ? 0.5833 0.5755 0.6360 0.0249 0.0139 0.0111 1450 PHE A N 11065 C CA . PHE B 772 ? 0.5751 0.5712 0.6214 0.0307 0.0179 0.0145 1450 PHE A CA 11066 C C . PHE B 772 ? 0.5680 0.5725 0.6127 0.0357 0.0137 0.0122 1450 PHE A C 11067 O O . PHE B 772 ? 0.5654 0.5701 0.6093 0.0364 0.0073 0.0077 1450 PHE A O 11068 C CB . PHE B 772 ? 0.6221 0.6076 0.6555 0.0343 0.0202 0.0159 1450 PHE A CB 11069 C CG . PHE B 772 ? 0.6431 0.6196 0.6762 0.0304 0.0244 0.0188 1450 PHE A CG 11070 C CD1 . PHE B 772 ? 0.6841 0.6623 0.7175 0.0301 0.0307 0.0237 1450 PHE A CD1 11071 C CD2 . PHE B 772 ? 0.6844 0.6502 0.7166 0.0271 0.0219 0.0166 1450 PHE A CD2 11072 C CE1 . PHE B 772 ? 0.7355 0.7051 0.7675 0.0269 0.0346 0.0269 1450 PHE A CE1 11073 C CE2 . PHE B 772 ? 0.7673 0.7238 0.7987 0.0236 0.0259 0.0199 1450 PHE A CE2 11074 C CZ . PHE B 772 ? 0.7799 0.7386 0.8109 0.0236 0.0324 0.0252 1450 PHE A CZ 11075 N N . THR B 773 ? 0.4848 0.4954 0.5280 0.0395 0.0173 0.0155 1451 THR A N 11076 C CA . THR B 773 ? 0.5295 0.5484 0.5722 0.0440 0.0144 0.0147 1451 THR A CA 11077 C C . THR B 773 ? 0.5006 0.5157 0.5303 0.0502 0.0144 0.0149 1451 THR A C 11078 O O . THR B 773 ? 0.4772 0.4970 0.5040 0.0543 0.0114 0.0140 1451 THR A O 11079 C CB . THR B 773 ? 0.5111 0.5393 0.5619 0.0441 0.0185 0.0181 1451 THR A CB 11080 O OG1 . THR B 773 ? 0.6650 0.7012 0.7169 0.0483 0.0149 0.0172 1451 THR A OG1 11081 C CG2 . THR B 773 ? 0.3534 0.3779 0.3977 0.0462 0.0247 0.0221 1451 THR A CG2 11082 N N . ASP B 774 ? 0.5032 0.5103 0.5253 0.0509 0.0176 0.0164 1452 ASP A N 11083 C CA . ASP B 774 ? 0.4827 0.4869 0.4937 0.0563 0.0182 0.0168 1452 ASP A CA 11084 C C . ASP B 774 ? 0.5177 0.5132 0.5232 0.0559 0.0208 0.0177 1452 ASP A C 11085 O O . ASP B 774 ? 0.5642 0.5569 0.5734 0.0523 0.0240 0.0198 1452 ASP A O 11086 C CB . ASP B 774 ? 0.4845 0.4947 0.4947 0.0592 0.0216 0.0204 1452 ASP A CB 11087 C CG . ASP B 774 ? 0.5692 0.5779 0.5693 0.0642 0.0221 0.0210 1452 ASP A CG 11088 O OD1 . ASP B 774 ? 0.5048 0.5100 0.5008 0.0648 0.0255 0.0229 1452 ASP A OD1 11089 O OD2 . ASP B 774 ? 0.6903 0.7018 0.6867 0.0676 0.0190 0.0197 1452 ASP A OD2 11090 N N . TYR B 775 ? 0.4811 0.4724 0.4774 0.0601 0.0196 0.0161 1453 TYR A N 11091 C CA . TYR B 775 ? 0.5039 0.4878 0.4946 0.0612 0.0218 0.0170 1453 TYR A CA 11092 C C . TYR B 775 ? 0.4825 0.4683 0.4654 0.0668 0.0231 0.0178 1453 TYR A C 11093 O O . TYR B 775 ? 0.5321 0.5226 0.5123 0.0699 0.0216 0.0169 1453 TYR A O 11094 C CB . TYR B 775 ? 0.5926 0.5671 0.5810 0.0601 0.0185 0.0133 1453 TYR A CB 11095 C CG . TYR B 775 ? 0.6829 0.6545 0.6625 0.0653 0.0152 0.0094 1453 TYR A CG 11096 C CD1 . TYR B 775 ? 0.7126 0.6879 0.6914 0.0665 0.0108 0.0060 1453 TYR A CD1 11097 C CD2 . TYR B 775 ? 0.6959 0.6615 0.6677 0.0694 0.0164 0.0092 1453 TYR A CD2 11098 C CE1 . TYR B 775 ? 0.7637 0.7360 0.7331 0.0717 0.0081 0.0023 1453 TYR A CE1 11099 C CE2 . TYR B 775 ? 0.7149 0.6781 0.6784 0.0748 0.0140 0.0056 1453 TYR A CE2 11100 C CZ . TYR B 775 ? 0.7848 0.7511 0.7466 0.0758 0.0100 0.0021 1453 TYR A CZ 11101 O OH . TYR B 775 ? 0.8385 0.8022 0.7905 0.0816 0.0079 -0.0016 1453 TYR A OH 11102 N N . GLN B 776 ? 0.4668 0.4493 0.4463 0.0682 0.0259 0.0198 1454 GLN A N 11103 C CA . GLN B 776 ? 0.4540 0.4388 0.4274 0.0732 0.0274 0.0205 1454 GLN A CA 11104 C C . GLN B 776 ? 0.5186 0.4981 0.4891 0.0745 0.0290 0.0215 1454 GLN A C 11105 O O . GLN B 776 ? 0.5516 0.5266 0.5245 0.0714 0.0299 0.0229 1454 GLN A O 11106 C CB . GLN B 776 ? 0.4289 0.4217 0.4042 0.0734 0.0303 0.0239 1454 GLN A CB 11107 C CG . GLN B 776 ? 0.5112 0.5048 0.4913 0.0699 0.0332 0.0271 1454 GLN A CG 11108 C CD . GLN B 776 ? 0.5944 0.5944 0.5762 0.0699 0.0355 0.0297 1454 GLN A CD 11109 O OE1 . GLN B 776 ? 0.6021 0.6049 0.5813 0.0721 0.0372 0.0312 1454 GLN A OE1 11110 N NE2 . GLN B 776 ? 0.6631 0.6655 0.6498 0.0675 0.0357 0.0303 1454 GLN A NE2 11111 N N . ILE B 777 ? 0.5141 0.4945 0.4792 0.0796 0.0294 0.0209 1455 ILE A N 11112 C CA . ILE B 777 ? 0.5062 0.4837 0.4687 0.0822 0.0308 0.0221 1455 ILE A CA 11113 C C . ILE B 777 ? 0.5294 0.5160 0.4925 0.0845 0.0336 0.0248 1455 ILE A C 11114 O O . ILE B 777 ? 0.6424 0.6339 0.6029 0.0880 0.0341 0.0240 1455 ILE A O 11115 C CB . ILE B 777 ? 0.5171 0.4874 0.4736 0.0866 0.0287 0.0186 1455 ILE A CB 11116 C CG1 . ILE B 777 ? 0.5682 0.5278 0.5248 0.0834 0.0259 0.0162 1455 ILE A CG1 11117 C CG2 . ILE B 777 ? 0.5137 0.4833 0.4679 0.0907 0.0303 0.0202 1455 ILE A CG2 11118 C CD1 . ILE B 777 ? 0.6373 0.5961 0.5938 0.0819 0.0226 0.0124 1455 ILE A CD1 11119 N N . LYS B 778 ? 0.5144 0.5032 0.4805 0.0823 0.0355 0.0279 1456 LYS A N 11120 C CA . LYS B 778 ? 0.5151 0.5124 0.4831 0.0832 0.0378 0.0304 1456 LYS A CA 11121 C C . LYS B 778 ? 0.5627 0.5595 0.5307 0.0843 0.0382 0.0320 1456 LYS A C 11122 O O . LYS B 778 ? 0.5994 0.5915 0.5679 0.0815 0.0380 0.0331 1456 LYS A O 11123 C CB . LYS B 778 ? 0.4878 0.4892 0.4598 0.0790 0.0392 0.0324 1456 LYS A CB 11124 C CG . LYS B 778 ? 0.5376 0.5464 0.5118 0.0789 0.0415 0.0348 1456 LYS A CG 11125 C CD . LYS B 778 ? 0.6407 0.6516 0.6180 0.0752 0.0427 0.0364 1456 LYS A CD 11126 C CE . LYS B 778 ? 0.7081 0.7249 0.6878 0.0742 0.0447 0.0387 1456 LYS A CE 11127 N NZ . LYS B 778 ? 0.7728 0.7955 0.7520 0.0771 0.0459 0.0392 1456 LYS A NZ 11128 N N . ASP B 779 ? 0.5728 0.5748 0.5403 0.0886 0.0389 0.0321 1457 ASP A N 11129 C CA . ASP B 779 ? 0.5979 0.6022 0.5664 0.0902 0.0388 0.0337 1457 ASP A CA 11130 C C . ASP B 779 ? 0.5855 0.5798 0.5506 0.0908 0.0370 0.0335 1457 ASP A C 11131 O O . ASP B 779 ? 0.6024 0.5955 0.5677 0.0892 0.0367 0.0355 1457 ASP A O 11132 C CB . ASP B 779 ? 0.6382 0.6487 0.6111 0.0862 0.0399 0.0361 1457 ASP A CB 11133 C CG . ASP B 779 ? 0.7341 0.7530 0.7103 0.0851 0.0420 0.0369 1457 ASP A CG 11134 O OD1 . ASP B 779 ? 0.7900 0.8130 0.7656 0.0887 0.0429 0.0362 1457 ASP A OD1 11135 O OD2 . ASP B 779 ? 0.7985 0.8193 0.7774 0.0808 0.0428 0.0383 1457 ASP A OD2 11136 N N . GLY B 780 ? 0.6207 0.6071 0.5817 0.0933 0.0357 0.0311 1458 GLY A N 11137 C CA . GLY B 780 ? 0.5507 0.5259 0.5080 0.0939 0.0342 0.0311 1458 GLY A CA 11138 C C . GLY B 780 ? 0.5864 0.5546 0.5442 0.0879 0.0343 0.0321 1458 GLY A C 11139 O O . GLY B 780 ? 0.6580 0.6169 0.6127 0.0876 0.0337 0.0332 1458 GLY A O 11140 N N . HIS B 781 ? 0.5484 0.5209 0.5099 0.0835 0.0353 0.0321 1459 HIS A N 11141 C CA . HIS B 781 ? 0.5576 0.5256 0.5211 0.0779 0.0359 0.0330 1459 HIS A CA 11142 C C . HIS B 781 ? 0.5743 0.5401 0.5395 0.0759 0.0347 0.0302 1459 HIS A C 11143 O O . HIS B 781 ? 0.6018 0.5733 0.5676 0.0774 0.0340 0.0283 1459 HIS A O 11144 C CB . HIS B 781 ? 0.5365 0.5115 0.5035 0.0746 0.0380 0.0352 1459 HIS A CB 11145 C CG . HIS B 781 ? 0.5632 0.5392 0.5283 0.0755 0.0386 0.0377 1459 HIS A CG 11146 N ND1 . HIS B 781 ? 0.5481 0.5207 0.5122 0.0724 0.0400 0.0399 1459 HIS A ND1 11147 C CD2 . HIS B 781 ? 0.6130 0.5934 0.5769 0.0792 0.0379 0.0382 1459 HIS A CD2 11148 C CE1 . HIS B 781 ? 0.6078 0.5820 0.5691 0.0743 0.0396 0.0415 1459 HIS A CE1 11149 N NE2 . HIS B 781 ? 0.6319 0.6113 0.5939 0.0783 0.0381 0.0405 1459 HIS A NE2 11150 N N . VAL B 782 ? 0.5115 0.4693 0.4774 0.0724 0.0342 0.0300 1460 VAL A N 11151 C CA . VAL B 782 ? 0.4649 0.4213 0.4341 0.0691 0.0326 0.0274 1460 VAL A CA 11152 C C . VAL B 782 ? 0.5037 0.4652 0.4791 0.0640 0.0347 0.0294 1460 VAL A C 11153 O O . VAL B 782 ? 0.5125 0.4700 0.4892 0.0607 0.0367 0.0318 1460 VAL A O 11154 C CB . VAL B 782 ? 0.4519 0.3963 0.4192 0.0678 0.0307 0.0257 1460 VAL A CB 11155 C CG1 . VAL B 782 ? 0.3994 0.3434 0.3713 0.0638 0.0283 0.0225 1460 VAL A CG1 11156 C CG2 . VAL B 782 ? 0.4462 0.3848 0.4066 0.0738 0.0289 0.0236 1460 VAL A CG2 11157 N N . ILE B 783 ? 0.4924 0.4625 0.4711 0.0639 0.0346 0.0287 1461 ILE A N 11158 C CA . ILE B 783 ? 0.4606 0.4364 0.4450 0.0604 0.0367 0.0305 1461 ILE A CA 11159 C C . ILE B 783 ? 0.4659 0.4435 0.4558 0.0578 0.0345 0.0282 1461 ILE A C 11160 O O . ILE B 783 ? 0.5500 0.5312 0.5393 0.0600 0.0319 0.0258 1461 ILE A O 11161 C CB . ILE B 783 ? 0.4862 0.4697 0.4702 0.0625 0.0382 0.0319 1461 ILE A CB 11162 C CG1 . ILE B 783 ? 0.4976 0.4803 0.4774 0.0645 0.0398 0.0339 1461 ILE A CG1 11163 C CG2 . ILE B 783 ? 0.5032 0.4914 0.4925 0.0595 0.0403 0.0333 1461 ILE A CG2 11164 C CD1 . ILE B 783 ? 0.5037 0.4935 0.4838 0.0658 0.0410 0.0351 1461 ILE A CD1 11165 N N . LEU B 784 ? 0.4229 0.3988 0.4183 0.0532 0.0357 0.0290 1462 LEU A N 11166 C CA . LEU B 784 ? 0.4477 0.4271 0.4506 0.0499 0.0336 0.0270 1462 LEU A CA 11167 C C . LEU B 784 ? 0.4723 0.4595 0.4819 0.0480 0.0367 0.0292 1462 LEU A C 11168 O O . LEU B 784 ? 0.4988 0.4856 0.5076 0.0472 0.0408 0.0323 1462 LEU A O 11169 C CB . LEU B 784 ? 0.4414 0.4132 0.4471 0.0456 0.0326 0.0260 1462 LEU A CB 11170 C CG . LEU B 784 ? 0.5599 0.5212 0.5581 0.0477 0.0301 0.0240 1462 LEU A CG 11171 C CD1 . LEU B 784 ? 0.5748 0.5262 0.5724 0.0443 0.0324 0.0263 1462 LEU A CD1 11172 C CD2 . LEU B 784 ? 0.5847 0.5447 0.5833 0.0480 0.0247 0.0189 1462 LEU A CD2 11173 N N . GLN B 785 ? 0.4459 0.4402 0.4615 0.0476 0.0344 0.0275 1463 GLN A N 11174 C CA . GLN B 785 ? 0.4285 0.4306 0.4514 0.0464 0.0371 0.0293 1463 GLN A CA 11175 C C . GLN B 785 ? 0.4505 0.4568 0.4840 0.0422 0.0353 0.0277 1463 GLN A C 11176 O O . GLN B 785 ? 0.5130 0.5170 0.5478 0.0408 0.0308 0.0246 1463 GLN A O 11177 C CB . GLN B 785 ? 0.3479 0.3560 0.3690 0.0506 0.0365 0.0295 1463 GLN A CB 11178 C CG . GLN B 785 ? 0.4177 0.4237 0.4317 0.0531 0.0398 0.0319 1463 GLN A CG 11179 C CD . GLN B 785 ? 0.4937 0.5042 0.5057 0.0567 0.0393 0.0323 1463 GLN A CD 11180 O OE1 . GLN B 785 ? 0.5293 0.5437 0.5447 0.0571 0.0414 0.0337 1463 GLN A OE1 11181 N NE2 . GLN B 785 ? 0.5106 0.5199 0.5166 0.0597 0.0370 0.0314 1463 GLN A NE2 11182 N N . LEU B 786 ? 0.5041 0.5167 0.5454 0.0403 0.0388 0.0297 1464 LEU A N 11183 C CA . LEU B 786 ? 0.4881 0.5050 0.5410 0.0353 0.0387 0.0292 1464 LEU A CA 11184 C C . LEU B 786 ? 0.4869 0.5147 0.5486 0.0360 0.0414 0.0306 1464 LEU A C 11185 O O . LEU B 786 ? 0.5059 0.5345 0.5638 0.0389 0.0455 0.0329 1464 LEU A O 11186 C CB . LEU B 786 ? 0.5393 0.5488 0.5920 0.0307 0.0427 0.0314 1464 LEU A CB 11187 C CG . LEU B 786 ? 0.6154 0.6257 0.6788 0.0243 0.0419 0.0306 1464 LEU A CG 11188 C CD1 . LEU B 786 ? 0.7259 0.7367 0.7911 0.0242 0.0343 0.0258 1464 LEU A CD1 11189 C CD2 . LEU B 786 ? 0.6367 0.6356 0.6957 0.0206 0.0450 0.0329 1464 LEU A CD2 11190 N N . ASN B 787 ? 0.4514 0.4876 0.5251 0.0335 0.0387 0.0288 1465 ASN A N 11191 C CA . ASN B 787 ? 0.4761 0.5237 0.5596 0.0345 0.0413 0.0301 1465 ASN A CA 11192 C C . ASN B 787 ? 0.5237 0.5721 0.6119 0.0313 0.0489 0.0335 1465 ASN A C 11193 O O . ASN B 787 ? 0.5477 0.6014 0.6377 0.0340 0.0534 0.0355 1465 ASN A O 11194 C CB . ASN B 787 ? 0.4925 0.5504 0.5887 0.0330 0.0359 0.0272 1465 ASN A CB 11195 C CG . ASN B 787 ? 0.5190 0.5800 0.6111 0.0385 0.0298 0.0249 1465 ASN A CG 11196 O OD1 . ASN B 787 ? 0.5576 0.6144 0.6390 0.0436 0.0307 0.0261 1465 ASN A OD1 11197 N ND2 . ASN B 787 ? 0.4979 0.5660 0.5982 0.0375 0.0234 0.0217 1465 ASN A ND2 11198 N N . SER B 788 ? 0.5254 0.5680 0.6149 0.0257 0.0506 0.0343 1466 SER A N 11199 C CA . SER B 788 ? 0.5508 0.5938 0.6444 0.0221 0.0581 0.0380 1466 SER A CA 11200 C C . SER B 788 ? 0.5279 0.5596 0.6174 0.0170 0.0589 0.0390 1466 SER A C 11201 O O . SER B 788 ? 0.5644 0.5926 0.6561 0.0140 0.0535 0.0363 1466 SER A O 11202 C CB . SER B 788 ? 0.5911 0.6480 0.7022 0.0191 0.0598 0.0381 1466 SER A CB 11203 O OG . SER B 788 ? 0.6176 0.6748 0.7327 0.0152 0.0677 0.0419 1466 SER A OG 11204 N N . ILE B 789 ? 0.4890 0.5143 0.5717 0.0165 0.0654 0.0429 1467 ILE A N 11205 C CA . ILE B 789 ? 0.5234 0.5377 0.6024 0.0118 0.0675 0.0452 1467 ILE A CA 11206 C C . ILE B 789 ? 0.5515 0.5713 0.6414 0.0063 0.0742 0.0486 1467 ILE A C 11207 O O . ILE B 789 ? 0.5550 0.5814 0.6461 0.0084 0.0802 0.0510 1467 ILE A O 11208 C CB . ILE B 789 ? 0.4467 0.4493 0.5090 0.0154 0.0698 0.0476 1467 ILE A CB 11209 C CG1 . ILE B 789 ? 0.3764 0.3739 0.4294 0.0201 0.0633 0.0443 1467 ILE A CG1 11210 C CG2 . ILE B 789 ? 0.4651 0.4566 0.5236 0.0110 0.0731 0.0509 1467 ILE A CG2 11211 C CD1 . ILE B 789 ? 0.4386 0.4258 0.4769 0.0236 0.0646 0.0462 1467 ILE A CD1 11212 N N . PRO B 790 ? 0.6000 0.6172 0.6981 -0.0007 0.0737 0.0489 1468 PRO A N 11213 C CA . PRO B 790 ? 0.5804 0.6050 0.6916 -0.0067 0.0802 0.0522 1468 PRO A CA 11214 C C . PRO B 790 ? 0.5865 0.6043 0.6888 -0.0068 0.0893 0.0580 1468 PRO A C 11215 O O . PRO B 790 ? 0.5008 0.5052 0.5873 -0.0042 0.0896 0.0597 1468 PRO A O 11216 C CB . PRO B 790 ? 0.6250 0.6453 0.7451 -0.0147 0.0763 0.0507 1468 PRO A CB 11217 C CG . PRO B 790 ? 0.6576 0.6717 0.7710 -0.0117 0.0666 0.0453 1468 PRO A CG 11218 C CD . PRO B 790 ? 0.6247 0.6323 0.7210 -0.0036 0.0669 0.0458 1468 PRO A CD 11219 N N . SER B 791 ? 0.6844 0.7123 0.7971 -0.0095 0.0968 0.0613 1469 SER A N 11220 C CA . SER B 791 ? 0.7197 0.7422 0.8259 -0.0109 0.1063 0.0673 1469 SER A CA 11221 C C . SER B 791 ? 0.7542 0.7714 0.8677 -0.0199 0.1096 0.0708 1469 SER A C 11222 O O . SER B 791 ? 0.7970 0.8021 0.8995 -0.0211 0.1149 0.0757 1469 SER A O 11223 C CB . SER B 791 ? 0.7400 0.7762 0.8521 -0.0081 0.1139 0.0691 1469 SER A CB 11224 O OG . SER B 791 ? 0.8608 0.8997 0.9647 0.0002 0.1116 0.0663 1469 SER A OG 11225 N N . SER B 792 ? 0.7356 0.7615 0.8674 -0.0263 0.1063 0.0684 1470 SER A N 11226 C CA . SER B 792 ? 0.7303 0.7528 0.8720 -0.0361 0.1100 0.0718 1470 SER A CA 11227 C C . SER B 792 ? 0.7285 0.7305 0.8585 -0.0387 0.1060 0.0722 1470 SER A C 11228 O O . SER B 792 ? 0.7632 0.7549 0.8907 -0.0442 0.1118 0.0775 1470 SER A O 11229 C CB . SER B 792 ? 0.7335 0.7715 0.8986 -0.0423 0.1061 0.0683 1470 SER A CB 11230 O OG . SER B 792 ? 0.7327 0.7702 0.8977 -0.0399 0.0947 0.0614 1470 SER A OG 11231 N N . ASP B 793 ? 0.7067 0.7020 0.8289 -0.0347 0.0966 0.0668 1471 ASP A N 11232 C CA . ASP B 793 ? 0.7187 0.6951 0.8311 -0.0367 0.0920 0.0662 1471 ASP A CA 11233 C C . ASP B 793 ? 0.5741 0.5428 0.6692 -0.0275 0.0862 0.0631 1471 ASP A C 11234 O O . ASP B 793 ? 0.5618 0.5393 0.6533 -0.0207 0.0857 0.0615 1471 ASP A O 11235 C CB . ASP B 793 ? 0.8477 0.8248 0.9744 -0.0443 0.0852 0.0617 1471 ASP A CB 11236 C CG . ASP B 793 ? 0.9970 0.9542 1.1181 -0.0499 0.0845 0.0634 1471 ASP A CG 11237 O OD1 . ASP B 793 ? 1.0241 0.9660 1.1277 -0.0458 0.0869 0.0669 1471 ASP A OD1 11238 O OD2 . ASP B 793 ? 1.0538 1.0102 1.1879 -0.0583 0.0812 0.0611 1471 ASP A OD2 11239 N N . PHE B 794 ? 0.5652 0.5168 0.6497 -0.0274 0.0822 0.0624 1472 PHE A N 11240 C CA . PHE B 794 ? 0.5904 0.5346 0.6598 -0.0192 0.0767 0.0594 1472 PHE A CA 11241 C C . PHE B 794 ? 0.6273 0.5764 0.7017 -0.0178 0.0675 0.0520 1472 PHE A C 11242 O O . PHE B 794 ? 0.6903 0.6416 0.7767 -0.0239 0.0637 0.0488 1472 PHE A O 11243 C CB . PHE B 794 ? 0.6445 0.5683 0.7001 -0.0187 0.0765 0.0619 1472 PHE A CB 11244 C CG . PHE B 794 ? 0.6022 0.5195 0.6448 -0.0153 0.0834 0.0684 1472 PHE A CG 11245 C CD1 . PHE B 794 ? 0.6159 0.5268 0.6591 -0.0208 0.0908 0.0748 1472 PHE A CD1 11246 C CD2 . PHE B 794 ? 0.6216 0.5390 0.6511 -0.0066 0.0822 0.0680 1472 PHE A CD2 11247 C CE1 . PHE B 794 ? 0.6855 0.5899 0.7150 -0.0171 0.0969 0.0808 1472 PHE A CE1 11248 C CE2 . PHE B 794 ? 0.6919 0.6033 0.7087 -0.0033 0.0876 0.0735 1472 PHE A CE2 11249 C CZ . PHE B 794 ? 0.6989 0.6036 0.7151 -0.0082 0.0949 0.0799 1472 PHE A CZ 11250 N N . LEU B 795 ? 0.5612 0.5119 0.6259 -0.0097 0.0637 0.0492 1473 LEU A N 11251 C CA . LEU B 795 ? 0.4905 0.4433 0.5556 -0.0068 0.0552 0.0427 1473 LEU A CA 11252 C C . LEU B 795 ? 0.5259 0.4657 0.5748 -0.0006 0.0521 0.0416 1473 LEU A C 11253 O O . LEU B 795 ? 0.5087 0.4467 0.5473 0.0047 0.0552 0.0446 1473 LEU A O 11254 C CB . LEU B 795 ? 0.4162 0.3855 0.4864 -0.0027 0.0539 0.0404 1473 LEU A CB 11255 C CG . LEU B 795 ? 0.4376 0.4115 0.5093 0.0002 0.0455 0.0340 1473 LEU A CG 11256 C CD1 . LEU B 795 ? 0.4260 0.4172 0.5102 0.0000 0.0448 0.0326 1473 LEU A CD1 11257 C CD2 . LEU B 795 ? 0.4636 0.4329 0.5207 0.0083 0.0432 0.0328 1473 LEU A CD2 11258 N N . CYS B 796 ? 0.5781 0.5092 0.6252 -0.0012 0.0458 0.0371 1474 CYS A N 11259 C CA . CYS B 796 ? 0.6469 0.5640 0.6796 0.0042 0.0433 0.0363 1474 CYS A CA 11260 C C . CYS B 796 ? 0.6769 0.5961 0.7060 0.0093 0.0361 0.0299 1474 CYS A C 11261 O O . CYS B 796 ? 0.6807 0.6025 0.7171 0.0061 0.0310 0.0250 1474 CYS A O 11262 C CB . CYS B 796 ? 0.7219 0.6219 0.7525 -0.0006 0.0433 0.0374 1474 CYS A CB 11263 S SG . CYS B 796 ? 0.8670 0.7634 0.9020 -0.0077 0.0522 0.0454 1474 CYS A SG 11264 N N . VAL B 797 ? 0.6449 0.5631 0.6629 0.0171 0.0357 0.0299 1475 VAL A N 11265 C CA . VAL B 797 ? 0.5890 0.5060 0.6007 0.0228 0.0299 0.0246 1475 VAL A CA 11266 C C . VAL B 797 ? 0.6815 0.5815 0.6837 0.0248 0.0281 0.0237 1475 VAL A C 11267 O O . VAL B 797 ? 0.7173 0.6089 0.7129 0.0262 0.0318 0.0281 1475 VAL A O 11268 C CB . VAL B 797 ? 0.5954 0.5216 0.6015 0.0299 0.0308 0.0253 1475 VAL A CB 11269 C CG1 . VAL B 797 ? 0.5867 0.5093 0.5857 0.0326 0.0357 0.0306 1475 VAL A CG1 11270 C CG2 . VAL B 797 ? 0.6640 0.5883 0.6627 0.0360 0.0258 0.0206 1475 VAL A CG2 11271 N N . ARG B 798 ? 0.7130 0.6072 0.7136 0.0253 0.0223 0.0178 1476 ARG A N 11272 C CA . ARG B 798 ? 0.7041 0.5811 0.6958 0.0275 0.0201 0.0160 1476 ARG A CA 11273 C C . ARG B 798 ? 0.6948 0.5722 0.6784 0.0352 0.0153 0.0104 1476 ARG A C 11274 O O . ARG B 798 ? 0.7108 0.5943 0.6978 0.0345 0.0108 0.0052 1476 ARG A O 11275 C CB . ARG B 798 ? 0.7729 0.6390 0.7706 0.0194 0.0178 0.0139 1476 ARG A CB 11276 C CG . ARG B 798 ? 0.9152 0.7841 0.9234 0.0108 0.0228 0.0193 1476 ARG A CG 11277 C CD . ARG B 798 ? 1.1051 0.9610 1.1187 0.0023 0.0213 0.0181 1476 ARG A CD 11278 N NE . ARG B 798 ? 1.2597 1.1168 1.2819 -0.0054 0.0276 0.0245 1476 ARG A NE 11279 C CZ . ARG B 798 ? 1.4038 1.2486 1.4305 -0.0135 0.0287 0.0261 1476 ARG A CZ 11280 N NH1 . ARG B 798 ? 1.5153 1.3444 1.5386 -0.0150 0.0233 0.0213 1476 ARG A NH1 11281 N NH2 . ARG B 798 ? 1.4207 1.2685 1.4552 -0.0200 0.0354 0.0325 1476 ARG A NH2 11282 N N . PHE B 799 ? 0.6417 0.5137 0.6148 0.0427 0.0164 0.0115 1477 PHE A N 11283 C CA . PHE B 799 ? 0.6019 0.4747 0.5672 0.0504 0.0129 0.0066 1477 PHE A CA 11284 C C . PHE B 799 ? 0.6433 0.5026 0.5980 0.0569 0.0131 0.0068 1477 PHE A C 11285 O O . PHE B 799 ? 0.7100 0.5661 0.6620 0.0584 0.0169 0.0122 1477 PHE A O 11286 C CB . PHE B 799 ? 0.5819 0.4715 0.5477 0.0549 0.0146 0.0079 1477 PHE A CB 11287 C CG . PHE B 799 ? 0.5826 0.4766 0.5468 0.0574 0.0196 0.0139 1477 PHE A CG 11288 C CD1 . PHE B 799 ? 0.6086 0.5096 0.5798 0.0524 0.0233 0.0186 1477 PHE A CD1 11289 C CD2 . PHE B 799 ? 0.5673 0.4591 0.5233 0.0650 0.0203 0.0147 1477 PHE A CD2 11290 C CE1 . PHE B 799 ? 0.6298 0.5343 0.5986 0.0547 0.0273 0.0236 1477 PHE A CE1 11291 C CE2 . PHE B 799 ? 0.5896 0.4860 0.5445 0.0671 0.0241 0.0198 1477 PHE A CE2 11292 C CZ . PHE B 799 ? 0.6390 0.5412 0.5997 0.0619 0.0273 0.0241 1477 PHE A CZ 11293 N N . ARG B 800 ? 0.6648 0.5161 0.6128 0.0612 0.0089 0.0008 1478 ARG A N 11294 C CA . ARG B 800 ? 0.7015 0.5394 0.6392 0.0683 0.0088 0.0003 1478 ARG A CA 11295 C C . ARG B 800 ? 0.6416 0.4895 0.5748 0.0769 0.0116 0.0030 1478 ARG A C 11296 O O . ARG B 800 ? 0.5844 0.4481 0.5204 0.0784 0.0125 0.0031 1478 ARG A O 11297 C CB . ARG B 800 ? 0.7151 0.5418 0.6464 0.0711 0.0036 -0.0075 1478 ARG A CB 11298 C CG . ARG B 800 ? 0.7583 0.5719 0.6936 0.0625 0.0002 -0.0104 1478 ARG A CG 11299 C CD . ARG B 800 ? 0.8316 0.6317 0.7586 0.0659 -0.0052 -0.0185 1478 ARG A CD 11300 N NE . ARG B 800 ? 0.9003 0.7120 0.8252 0.0699 -0.0084 -0.0240 1478 ARG A NE 11301 C CZ . ARG B 800 ? 0.9774 0.7939 0.9076 0.0642 -0.0128 -0.0286 1478 ARG A CZ 11302 N NH1 . ARG B 800 ? 1.0486 0.8605 0.9882 0.0539 -0.0146 -0.0285 1478 ARG A NH1 11303 N NH2 . ARG B 800 ? 0.9505 0.7770 0.8768 0.0689 -0.0155 -0.0331 1478 ARG A NH2 11304 N N . ILE B 801 ? 0.6463 0.4850 0.5729 0.0824 0.0130 0.0054 1479 ILE A N 11305 C CA . ILE B 801 ? 0.6257 0.4734 0.5488 0.0906 0.0153 0.0080 1479 ILE A CA 11306 C C . ILE B 801 ? 0.7214 0.5572 0.6351 0.0995 0.0138 0.0051 1479 ILE A C 11307 O O . ILE B 801 ? 0.8159 0.6338 0.7252 0.0988 0.0119 0.0034 1479 ILE A O 11308 C CB . ILE B 801 ? 0.5557 0.4073 0.4813 0.0890 0.0190 0.0153 1479 ILE A CB 11309 C CG1 . ILE B 801 ? 0.5107 0.3439 0.4324 0.0871 0.0193 0.0182 1479 ILE A CG1 11310 C CG2 . ILE B 801 ? 0.4794 0.3439 0.4137 0.0815 0.0211 0.0178 1479 ILE A CG2 11311 C CD1 . ILE B 801 ? 0.5621 0.3970 0.4835 0.0868 0.0227 0.0253 1479 ILE A CD1 11312 N N . PHE B 802 ? 0.7120 0.5580 0.6230 0.1080 0.0148 0.0048 1480 PHE A N 11313 C CA . PHE B 802 ? 0.7649 0.6023 0.6677 0.1178 0.0141 0.0026 1480 PHE A CA 11314 C C . PHE B 802 ? 0.7482 0.5981 0.6518 0.1246 0.0168 0.0068 1480 PHE A C 11315 O O . PHE B 802 ? 0.7451 0.6114 0.6550 0.1221 0.0189 0.0098 1480 PHE A O 11316 C CB . PHE B 802 ? 0.8334 0.6695 0.7309 0.1227 0.0118 -0.0048 1480 PHE A CB 11317 C CG . PHE B 802 ? 0.8600 0.7151 0.7609 0.1232 0.0129 -0.0060 1480 PHE A CG 11318 C CD1 . PHE B 802 ? 0.8842 0.7516 0.7838 0.1316 0.0154 -0.0055 1480 PHE A CD1 11319 C CD2 . PHE B 802 ? 0.8513 0.7120 0.7571 0.1155 0.0116 -0.0074 1480 PHE A CD2 11320 C CE1 . PHE B 802 ? 0.8883 0.7720 0.7905 0.1318 0.0170 -0.0060 1480 PHE A CE1 11321 C CE2 . PHE B 802 ? 0.8632 0.7400 0.7710 0.1164 0.0127 -0.0081 1480 PHE A CE2 11322 C CZ . PHE B 802 ? 0.8664 0.7541 0.7721 0.1244 0.0156 -0.0072 1480 PHE A CZ 11323 N N . GLU B 803 ? 0.7589 0.6008 0.6564 0.1332 0.0165 0.0068 1481 GLU A N 11324 C CA . GLU B 803 ? 0.7886 0.6417 0.6874 0.1402 0.0183 0.0106 1481 GLU A CA 11325 C C . GLU B 803 ? 0.7602 0.6270 0.6591 0.1477 0.0194 0.0072 1481 GLU A C 11326 O O . GLU B 803 ? 0.8168 0.6758 0.7093 0.1545 0.0184 0.0022 1481 GLU A O 11327 C CB . GLU B 803 ? 0.8979 0.7362 0.7904 0.1464 0.0174 0.0129 1481 GLU A CB 11328 C CG . GLU B 803 ? 1.0563 0.9047 0.9512 0.1504 0.0186 0.0186 1481 GLU A CG 11329 C CD . GLU B 803 ? 1.2309 1.0625 1.1194 0.1537 0.0174 0.0224 1481 GLU A CD 11330 O OE1 . GLU B 803 ? 1.2952 1.1066 1.1780 0.1516 0.0162 0.0210 1481 GLU A OE1 11331 O OE2 . GLU B 803 ? 1.2770 1.1155 1.1662 0.1583 0.0175 0.0268 1481 GLU A OE2 11332 N N . LEU B 804 ? 0.7082 0.5946 0.6142 0.1464 0.0216 0.0097 1482 LEU A N 11333 C CA . LEU B 804 ? 0.6582 0.5593 0.5655 0.1526 0.0236 0.0074 1482 LEU A CA 11334 C C . LEU B 804 ? 0.7170 0.6220 0.6233 0.1631 0.0244 0.0085 1482 LEU A C 11335 O O . LEU B 804 ? 0.7829 0.6865 0.6845 0.1717 0.0248 0.0046 1482 LEU A O 11336 C CB . LEU B 804 ? 0.6690 0.5887 0.5846 0.1468 0.0258 0.0102 1482 LEU A CB 11337 C CG . LEU B 804 ? 0.7279 0.6614 0.6445 0.1501 0.0281 0.0078 1482 LEU A CG 11338 C CD1 . LEU B 804 ? 0.7588 0.6833 0.6691 0.1488 0.0266 0.0024 1482 LEU A CD1 11339 C CD2 . LEU B 804 ? 0.6731 0.6238 0.5983 0.1444 0.0305 0.0117 1482 LEU A CD2 11340 N N . PHE B 805 ? 0.6951 0.6054 0.6057 0.1631 0.0244 0.0136 1483 PHE A N 11341 C CA . PHE B 805 ? 0.6332 0.5471 0.5437 0.1731 0.0243 0.0150 1483 PHE A CA 11342 C C . PHE B 805 ? 0.6186 0.5218 0.5269 0.1723 0.0221 0.0194 1483 PHE A C 11343 O O . PHE B 805 ? 0.6582 0.5564 0.5671 0.1635 0.0216 0.0222 1483 PHE A O 11344 C CB . PHE B 805 ? 0.6177 0.5555 0.5373 0.1754 0.0267 0.0170 1483 PHE A CB 11345 C CG . PHE B 805 ? 0.5981 0.5473 0.5253 0.1660 0.0272 0.0209 1483 PHE A CG 11346 C CD1 . PHE B 805 ? 0.6193 0.5700 0.5490 0.1643 0.0256 0.0254 1483 PHE A CD1 11347 C CD2 . PHE B 805 ? 0.5361 0.4939 0.4671 0.1594 0.0293 0.0199 1483 PHE A CD2 11348 C CE1 . PHE B 805 ? 0.6000 0.5602 0.5356 0.1561 0.0260 0.0283 1483 PHE A CE1 11349 C CE2 . PHE B 805 ? 0.5795 0.5466 0.5168 0.1512 0.0298 0.0232 1483 PHE A CE2 11350 C CZ . PHE B 805 ? 0.5822 0.5504 0.5219 0.1495 0.0282 0.0272 1483 PHE A CZ 11351 N N . GLU B 806 ? 0.6293 0.5294 0.5348 0.1821 0.0210 0.0203 1484 GLU A N 11352 C CA . GLU B 806 ? 0.7071 0.5949 0.6084 0.1830 0.0188 0.0246 1484 GLU A CA 11353 C C . GLU B 806 ? 0.6337 0.5360 0.5415 0.1794 0.0185 0.0298 1484 GLU A C 11354 O O . GLU B 806 ? 0.5835 0.5059 0.4993 0.1819 0.0192 0.0302 1484 GLU A O 11355 C CB . GLU B 806 ? 0.8164 0.6959 0.7121 0.1957 0.0173 0.0239 1484 GLU A CB 11356 C CG . GLU B 806 ? 0.9866 0.8477 0.8737 0.1997 0.0171 0.0184 1484 GLU A CG 11357 C CD . GLU B 806 ? 1.1702 1.0241 1.0519 0.2135 0.0161 0.0173 1484 GLU A CD 11358 O OE1 . GLU B 806 ? 1.1972 1.0619 1.0827 0.2202 0.0153 0.0209 1484 GLU A OE1 11359 O OE2 . GLU B 806 ? 1.2587 1.0963 1.1325 0.2179 0.0157 0.0124 1484 GLU A OE2 11360 N N . VAL B 807 ? 0.6252 0.5170 0.5296 0.1732 0.0175 0.0337 1485 VAL A N 11361 C CA . VAL B 807 ? 0.6297 0.5321 0.5379 0.1698 0.0168 0.0385 1485 VAL A CA 11362 C C . VAL B 807 ? 0.6524 0.5392 0.5521 0.1726 0.0146 0.0430 1485 VAL A C 11363 O O . VAL B 807 ? 0.6637 0.5311 0.5564 0.1688 0.0150 0.0439 1485 VAL A O 11364 C CB . VAL B 807 ? 0.5628 0.4704 0.4752 0.1578 0.0186 0.0391 1485 VAL A CB 11365 C CG1 . VAL B 807 ? 0.5211 0.4376 0.4356 0.1550 0.0177 0.0435 1485 VAL A CG1 11366 C CG2 . VAL B 807 ? 0.5439 0.4661 0.4637 0.1554 0.0207 0.0352 1485 VAL A CG2 11367 N N . GLY B 808 ? 0.6358 0.5314 0.5364 0.1789 0.0123 0.0460 1486 GLY A N 11368 C CA . GLY B 808 ? 0.6355 0.5186 0.5277 0.1818 0.0100 0.0511 1486 GLY A CA 11369 C C . GLY B 808 ? 0.6384 0.5292 0.5316 0.1748 0.0096 0.0550 1486 GLY A C 11370 O O . GLY B 808 ? 0.6692 0.5789 0.5712 0.1710 0.0099 0.0538 1486 GLY A O 11371 N N . PHE B 809 ? 0.6349 0.5101 0.5185 0.1733 0.0092 0.0597 1487 PHE A N 11372 C CA . PHE B 809 ? 0.6515 0.5309 0.5335 0.1671 0.0092 0.0635 1487 PHE A CA 11373 C C . PHE B 809 ? 0.6517 0.5396 0.5408 0.1559 0.0125 0.0612 1487 PHE A C 11374 O O . PHE B 809 ? 0.6469 0.5502 0.5414 0.1524 0.0121 0.0611 1487 PHE A O 11375 C CB . PHE B 809 ? 0.5319 0.4276 0.4165 0.1731 0.0051 0.0650 1487 PHE A CB 11376 C CG . PHE B 809 ? 0.5463 0.4386 0.4271 0.1855 0.0015 0.0662 1487 PHE A CG 11377 C CD1 . PHE B 809 ? 0.6009 0.4739 0.4690 0.1902 0.0001 0.0709 1487 PHE A CD1 11378 C CD2 . PHE B 809 ? 0.5405 0.4487 0.4304 0.1929 -0.0003 0.0628 1487 PHE A CD2 11379 C CE1 . PHE B 809 ? 0.6315 0.5006 0.4958 0.2025 -0.0034 0.0722 1487 PHE A CE1 11380 C CE2 . PHE B 809 ? 0.6679 0.5736 0.5549 0.2052 -0.0035 0.0638 1487 PHE A CE2 11381 C CZ . PHE B 809 ? 0.6408 0.5267 0.5148 0.2102 -0.0053 0.0684 1487 PHE A CZ 11382 N N . LEU B 810 ? 0.6504 0.5273 0.5392 0.1507 0.0154 0.0592 1488 LEU A N 11383 C CA . LEU B 810 ? 0.6184 0.5024 0.5142 0.1410 0.0183 0.0566 1488 LEU A CA 11384 C C . LEU B 810 ? 0.6656 0.5521 0.5601 0.1338 0.0198 0.0600 1488 LEU A C 11385 O O . LEU B 810 ? 0.6683 0.5410 0.5548 0.1317 0.0209 0.0641 1488 LEU A O 11386 C CB . LEU B 810 ? 0.6124 0.4816 0.5067 0.1370 0.0204 0.0544 1488 LEU A CB 11387 C CG . LEU B 810 ? 0.6516 0.5275 0.5533 0.1283 0.0228 0.0511 1488 LEU A CG 11388 C CD1 . LEU B 810 ? 0.6471 0.5410 0.5569 0.1307 0.0223 0.0470 1488 LEU A CD1 11389 C CD2 . LEU B 810 ? 0.6590 0.5189 0.5585 0.1249 0.0238 0.0490 1488 LEU A CD2 11390 N N . SER B 811 ? 0.6559 0.5595 0.5579 0.1302 0.0201 0.0583 1489 SER A N 11391 C CA . SER B 811 ? 0.6385 0.5455 0.5397 0.1235 0.0216 0.0605 1489 SER A CA 11392 C C . SER B 811 ? 0.6404 0.5416 0.5437 0.1148 0.0256 0.0598 1489 SER A C 11393 O O . SER B 811 ? 0.6745 0.5783 0.5841 0.1127 0.0266 0.0561 1489 SER A O 11394 C CB . SER B 811 ? 0.6601 0.5865 0.5687 0.1228 0.0201 0.0586 1489 SER A CB 11395 O OG . SER B 811 ? 0.7176 0.6463 0.6246 0.1168 0.0215 0.0602 1489 SER A OG 11396 N N . PRO B 812 ? 0.6228 0.5167 0.5209 0.1098 0.0281 0.0633 1490 PRO A N 11397 C CA . PRO B 812 ? 0.5786 0.4683 0.4801 0.1016 0.0321 0.0628 1490 PRO A CA 11398 C C . PRO B 812 ? 0.5641 0.4685 0.4751 0.0971 0.0330 0.0591 1490 PRO A C 11399 O O . PRO B 812 ? 0.6001 0.5174 0.5141 0.0989 0.0313 0.0579 1490 PRO A O 11400 C CB . PRO B 812 ? 0.5791 0.4611 0.4729 0.0984 0.0348 0.0679 1490 PRO A CB 11401 C CG . PRO B 812 ? 0.6362 0.5122 0.5203 0.1058 0.0319 0.0713 1490 PRO A CG 11402 C CD . PRO B 812 ? 0.6486 0.5377 0.5373 0.1120 0.0275 0.0680 1490 PRO A CD 11403 N N . ALA B 813 ? 0.5452 0.4475 0.4611 0.0912 0.0355 0.0575 1491 ALA A N 11404 C CA . ALA B 813 ? 0.5128 0.4269 0.4372 0.0868 0.0366 0.0544 1491 ALA A CA 11405 C C . ALA B 813 ? 0.5126 0.4257 0.4379 0.0799 0.0404 0.0564 1491 ALA A C 11406 O O . ALA B 813 ? 0.5314 0.4347 0.4509 0.0784 0.0426 0.0601 1491 ALA A O 11407 C CB . ALA B 813 ? 0.5013 0.4153 0.4310 0.0865 0.0358 0.0503 1491 ALA A CB 11408 N N . THR B 814 ? 0.4734 0.3964 0.4058 0.0762 0.0416 0.0541 1492 THR A N 11409 C CA . THR B 814 ? 0.4603 0.3848 0.3946 0.0705 0.0454 0.0555 1492 THR A CA 11410 C C . THR B 814 ? 0.5127 0.4380 0.4550 0.0656 0.0468 0.0533 1492 THR A C 11411 O O . THR B 814 ? 0.5296 0.4585 0.4766 0.0665 0.0446 0.0499 1492 THR A O 11412 C CB . THR B 814 ? 0.4707 0.4060 0.4060 0.0705 0.0456 0.0548 1492 THR A CB 11413 O OG1 . THR B 814 ? 0.4598 0.4047 0.4021 0.0710 0.0438 0.0513 1492 THR A OG1 11414 C CG2 . THR B 814 ? 0.4910 0.4262 0.4188 0.0750 0.0434 0.0566 1492 THR A CG2 11415 N N . PHE B 815 ? 0.5519 0.4747 0.4957 0.0606 0.0506 0.0554 1493 PHE A N 11416 C CA . PHE B 815 ? 0.5322 0.4573 0.4848 0.0555 0.0521 0.0537 1493 PHE A CA 11417 C C . PHE B 815 ? 0.5320 0.4647 0.4877 0.0525 0.0559 0.0548 1493 PHE A C 11418 O O . PHE B 815 ? 0.6228 0.5517 0.5745 0.0509 0.0597 0.0583 1493 PHE A O 11419 C CB . PHE B 815 ? 0.4265 0.3403 0.3794 0.0520 0.0534 0.0554 1493 PHE A CB 11420 C CG . PHE B 815 ? 0.4235 0.3405 0.3865 0.0459 0.0548 0.0539 1493 PHE A CG 11421 C CD1 . PHE B 815 ? 0.4131 0.3392 0.3834 0.0457 0.0522 0.0496 1493 PHE A CD1 11422 C CD2 . PHE B 815 ? 0.4320 0.3431 0.3973 0.0405 0.0586 0.0569 1493 PHE A CD2 11423 C CE1 . PHE B 815 ? 0.4222 0.3522 0.4022 0.0406 0.0527 0.0480 1493 PHE A CE1 11424 C CE2 . PHE B 815 ? 0.4293 0.3449 0.4056 0.0348 0.0595 0.0554 1493 PHE A CE2 11425 C CZ . PHE B 815 ? 0.4185 0.3438 0.4023 0.0350 0.0562 0.0507 1493 PHE A CZ 11426 N N . THR B 816 ? 0.5184 0.4611 0.4802 0.0523 0.0551 0.0519 1494 THR A N 11427 C CA . THR B 816 ? 0.4833 0.4333 0.4479 0.0506 0.0582 0.0522 1494 THR A CA 11428 C C . THR B 816 ? 0.4906 0.4462 0.4654 0.0471 0.0590 0.0504 1494 THR A C 11429 O O . THR B 816 ? 0.5118 0.4706 0.4911 0.0477 0.0556 0.0474 1494 THR A O 11430 C CB . THR B 816 ? 0.4649 0.4217 0.4275 0.0539 0.0563 0.0506 1494 THR A CB 11431 O OG1 . THR B 816 ? 0.5748 0.5277 0.5288 0.0574 0.0547 0.0519 1494 THR A OG1 11432 C CG2 . THR B 816 ? 0.3798 0.3421 0.3442 0.0525 0.0594 0.0507 1494 THR A CG2 11433 N N . VAL B 817 ? 0.4892 0.4470 0.4678 0.0438 0.0634 0.0521 1495 VAL A N 11434 C CA . VAL B 817 ? 0.4993 0.4650 0.4886 0.0412 0.0640 0.0503 1495 VAL A CA 11435 C C . VAL B 817 ? 0.5339 0.5058 0.5238 0.0417 0.0679 0.0510 1495 VAL A C 11436 O O . VAL B 817 ? 0.6120 0.5807 0.5953 0.0422 0.0715 0.0535 1495 VAL A O 11437 C CB . VAL B 817 ? 0.5087 0.4722 0.5054 0.0362 0.0654 0.0511 1495 VAL A CB 11438 C CG1 . VAL B 817 ? 0.5381 0.4921 0.5316 0.0358 0.0622 0.0507 1495 VAL A CG1 11439 C CG2 . VAL B 817 ? 0.6403 0.6023 0.6364 0.0336 0.0716 0.0550 1495 VAL A CG2 11440 N N . TYR B 818 ? 0.4969 0.4770 0.4938 0.0422 0.0669 0.0487 1496 TYR A N 11441 C CA . TYR B 818 ? 0.4027 0.3879 0.3999 0.0435 0.0702 0.0489 1496 TYR A CA 11442 C C . TYR B 818 ? 0.4435 0.4373 0.4509 0.0433 0.0695 0.0469 1496 TYR A C 11443 O O . TYR B 818 ? 0.5379 0.5340 0.5501 0.0431 0.0654 0.0450 1496 TYR A O 11444 C CB . TYR B 818 ? 0.3869 0.3705 0.3755 0.0470 0.0687 0.0481 1496 TYR A CB 11445 C CG . TYR B 818 ? 0.4615 0.4470 0.4505 0.0490 0.0637 0.0458 1496 TYR A CG 11446 C CD1 . TYR B 818 ? 0.4960 0.4772 0.4807 0.0500 0.0603 0.0456 1496 TYR A CD1 11447 C CD2 . TYR B 818 ? 0.4777 0.4690 0.4712 0.0502 0.0626 0.0441 1496 TYR A CD2 11448 C CE1 . TYR B 818 ? 0.4435 0.4272 0.4286 0.0521 0.0565 0.0437 1496 TYR A CE1 11449 C CE2 . TYR B 818 ? 0.5143 0.5072 0.5076 0.0520 0.0587 0.0426 1496 TYR A CE2 11450 C CZ . TYR B 818 ? 0.5082 0.4978 0.4975 0.0529 0.0559 0.0424 1496 TYR A CZ 11451 O OH . TYR B 818 ? 0.5437 0.5355 0.5327 0.0549 0.0528 0.0410 1496 TYR A OH 11452 N N . GLU B 819 ? 0.4236 0.4220 0.4336 0.0440 0.0735 0.0474 1497 GLU A N 11453 C CA . GLU B 819 ? 0.3574 0.3642 0.3764 0.0450 0.0728 0.0457 1497 GLU A CA 11454 C C . GLU B 819 ? 0.4491 0.4559 0.4639 0.0486 0.0695 0.0440 1497 GLU A C 11455 O O . GLU B 819 ? 0.5048 0.5078 0.5116 0.0505 0.0706 0.0441 1497 GLU A O 11456 C CB . GLU B 819 ? 0.3596 0.3712 0.3830 0.0452 0.0786 0.0468 1497 GLU A CB 11457 C CG . GLU B 819 ? 0.4870 0.5037 0.5210 0.0413 0.0813 0.0481 1497 GLU A CG 11458 C CD . GLU B 819 ? 0.5769 0.6008 0.6172 0.0421 0.0873 0.0491 1497 GLU A CD 11459 O OE1 . GLU B 819 ? 0.6031 0.6245 0.6356 0.0452 0.0909 0.0495 1497 GLU A OE1 11460 O OE2 . GLU B 819 ? 0.5789 0.6113 0.6321 0.0398 0.0882 0.0492 1497 GLU A OE2 11461 N N . TYR B 820 ? 0.4617 0.4726 0.4817 0.0494 0.0654 0.0423 1498 TYR A N 11462 C CA . TYR B 820 ? 0.4234 0.4340 0.4395 0.0525 0.0625 0.0412 1498 TYR A CA 11463 C C . TYR B 820 ? 0.3991 0.4102 0.4133 0.0549 0.0654 0.0414 1498 TYR A C 11464 O O . TYR B 820 ? 0.3756 0.3827 0.3830 0.0563 0.0648 0.0412 1498 TYR A O 11465 C CB . TYR B 820 ? 0.4793 0.4948 0.5012 0.0533 0.0583 0.0398 1498 TYR A CB 11466 C CG . TYR B 820 ? 0.4922 0.5067 0.5093 0.0561 0.0551 0.0392 1498 TYR A CG 11467 C CD1 . TYR B 820 ? 0.5263 0.5379 0.5389 0.0561 0.0520 0.0385 1498 TYR A CD1 11468 C CD2 . TYR B 820 ? 0.4957 0.5118 0.5126 0.0588 0.0556 0.0395 1498 TYR A CD2 11469 C CE1 . TYR B 820 ? 0.5336 0.5451 0.5422 0.0586 0.0499 0.0383 1498 TYR A CE1 11470 C CE2 . TYR B 820 ? 0.5360 0.5509 0.5486 0.0609 0.0533 0.0395 1498 TYR A CE2 11471 C CZ . TYR B 820 ? 0.5396 0.5527 0.5482 0.0607 0.0507 0.0391 1498 TYR A CZ 11472 O OH . TYR B 820 ? 0.5081 0.5208 0.5128 0.0627 0.0492 0.0396 1498 TYR A OH 11473 N N . HIS B 821 ? 0.3413 0.3572 0.3619 0.0555 0.0684 0.0416 1499 HIS A N 11474 C CA . HIS B 821 ? 0.4284 0.4438 0.4469 0.0584 0.0714 0.0415 1499 HIS A CA 11475 C C . HIS B 821 ? 0.4957 0.5071 0.5085 0.0579 0.0763 0.0422 1499 HIS A C 11476 O O . HIS B 821 ? 0.5241 0.5341 0.5341 0.0604 0.0791 0.0416 1499 HIS A O 11477 C CB . HIS B 821 ? 0.4266 0.4498 0.4550 0.0605 0.0721 0.0412 1499 HIS A CB 11478 C CG . HIS B 821 ? 0.4681 0.4946 0.5002 0.0620 0.0671 0.0405 1499 HIS A CG 11479 N ND1 . HIS B 821 ? 0.4563 0.4897 0.4973 0.0609 0.0642 0.0401 1499 HIS A ND1 11480 C CD2 . HIS B 821 ? 0.5101 0.5336 0.5376 0.0646 0.0643 0.0404 1499 HIS A CD2 11481 C CE1 . HIS B 821 ? 0.4623 0.4969 0.5031 0.0633 0.0598 0.0395 1499 HIS A CE1 11482 N NE2 . HIS B 821 ? 0.4635 0.4921 0.4961 0.0655 0.0601 0.0400 1499 HIS A NE2 11483 N N . ARG B 822 ? 0.5122 0.5211 0.5224 0.0550 0.0774 0.0434 1500 ARG A N 11484 C CA . ARG B 822 ? 0.4754 0.4796 0.4777 0.0548 0.0817 0.0444 1500 ARG A CA 11485 C C . ARG B 822 ? 0.4868 0.4848 0.4815 0.0530 0.0795 0.0453 1500 ARG A C 11486 O O . ARG B 822 ? 0.4583 0.4547 0.4528 0.0506 0.0814 0.0472 1500 ARG A O 11487 C CB . ARG B 822 ? 0.4068 0.4153 0.4149 0.0538 0.0874 0.0460 1500 ARG A CB 11488 C CG . ARG B 822 ? 0.3906 0.4048 0.4042 0.0568 0.0908 0.0451 1500 ARG A CG 11489 C CD . ARG B 822 ? 0.4349 0.4521 0.4505 0.0564 0.0980 0.0469 1500 ARG A CD 11490 N NE . ARG B 822 ? 0.4559 0.4773 0.4798 0.0520 0.0992 0.0491 1500 ARG A NE 11491 C CZ . ARG B 822 ? 0.4970 0.5239 0.5272 0.0506 0.1056 0.0511 1500 ARG A CZ 11492 N NH1 . ARG B 822 ? 0.5218 0.5510 0.5503 0.0541 0.1114 0.0510 1500 ARG A NH1 11493 N NH2 . ARG B 822 ? 0.4839 0.5138 0.5220 0.0457 0.1063 0.0532 1500 ARG A NH2 11494 N N . PRO B 823 ? 0.4785 0.4728 0.4672 0.0540 0.0756 0.0441 1501 PRO A N 11495 C CA . PRO B 823 ? 0.4855 0.4749 0.4674 0.0531 0.0732 0.0449 1501 PRO A CA 11496 C C . PRO B 823 ? 0.5325 0.5169 0.5059 0.0530 0.0765 0.0465 1501 PRO A C 11497 O O . PRO B 823 ? 0.6132 0.5934 0.5815 0.0523 0.0751 0.0479 1501 PRO A O 11498 C CB . PRO B 823 ? 0.4875 0.4758 0.4658 0.0545 0.0692 0.0433 1501 PRO A CB 11499 C CG . PRO B 823 ? 0.4815 0.4742 0.4663 0.0555 0.0686 0.0421 1501 PRO A CG 11500 C CD . PRO B 823 ? 0.4477 0.4427 0.4363 0.0560 0.0731 0.0423 1501 PRO A CD 11501 N N . ASP B 824 ? 0.5310 0.5152 0.5018 0.0541 0.0809 0.0464 1502 ASP A N 11502 C CA . ASP B 824 ? 0.5399 0.5194 0.5014 0.0544 0.0847 0.0481 1502 ASP A CA 11503 C C . ASP B 824 ? 0.5416 0.5216 0.5069 0.0519 0.0886 0.0513 1502 ASP A C 11504 O O . ASP B 824 ? 0.5691 0.5437 0.5259 0.0517 0.0910 0.0538 1502 ASP A O 11505 C CB . ASP B 824 ? 0.4943 0.4734 0.4514 0.0568 0.0887 0.0466 1502 ASP A CB 11506 C CG . ASP B 824 ? 0.5284 0.5142 0.4961 0.0573 0.0920 0.0461 1502 ASP A CG 11507 O OD1 . ASP B 824 ? 0.5590 0.5481 0.5336 0.0578 0.0887 0.0444 1502 ASP A OD1 11508 O OD2 . ASP B 824 ? 0.5391 0.5270 0.5082 0.0576 0.0980 0.0476 1502 ASP A OD2 11509 N N . LYS B 825 ? 0.4965 0.4826 0.4741 0.0499 0.0893 0.0516 1503 LYS A N 11510 C CA . LYS B 825 ? 0.5080 0.4947 0.4912 0.0465 0.0922 0.0544 1503 LYS A CA 11511 C C . LYS B 825 ? 0.5777 0.5605 0.5610 0.0448 0.0869 0.0546 1503 LYS A C 11512 O O . LYS B 825 ? 0.5953 0.5818 0.5870 0.0438 0.0830 0.0529 1503 LYS A O 11513 C CB . LYS B 825 ? 0.5177 0.5135 0.5148 0.0450 0.0947 0.0541 1503 LYS A CB 11514 C CG . LYS B 825 ? 0.5976 0.5979 0.5952 0.0477 0.1000 0.0536 1503 LYS A CG 11515 C CD . LYS B 825 ? 0.6710 0.6696 0.6643 0.0468 0.1075 0.0569 1503 LYS A CD 11516 C CE . LYS B 825 ? 0.7092 0.7106 0.6997 0.0507 0.1128 0.0559 1503 LYS A CE 11517 N NZ . LYS B 825 ? 0.7572 0.7588 0.7450 0.0499 0.1212 0.0593 1503 LYS A NZ 11518 N N . GLN B 826 ? 0.5688 0.5435 0.5419 0.0450 0.0865 0.0566 1504 GLN A N 11519 C CA . GLN B 826 ? 0.5330 0.5031 0.5044 0.0448 0.0813 0.0565 1504 GLN A CA 11520 C C . GLN B 826 ? 0.6077 0.5693 0.5719 0.0436 0.0834 0.0603 1504 GLN A C 11521 O O . GLN B 826 ? 0.5838 0.5431 0.5436 0.0430 0.0889 0.0632 1504 GLN A O 11522 C CB . GLN B 826 ? 0.4977 0.4672 0.4628 0.0482 0.0764 0.0541 1504 GLN A CB 11523 C CG . GLN B 826 ? 0.4707 0.4354 0.4233 0.0506 0.0771 0.0551 1504 GLN A CG 11524 C CD . GLN B 826 ? 0.5386 0.4960 0.4833 0.0516 0.0748 0.0573 1504 GLN A CD 11525 O OE1 . GLN B 826 ? 0.6341 0.5911 0.5799 0.0527 0.0699 0.0561 1504 GLN A OE1 11526 N NE2 . GLN B 826 ? 0.4642 0.4156 0.4006 0.0516 0.0784 0.0607 1504 GLN A NE2 11527 N N . CYS B 827 ? 0.5853 0.5416 0.5475 0.0439 0.0790 0.0603 1505 CYS A N 11528 C CA . CYS B 827 ? 0.5977 0.5440 0.5515 0.0438 0.0798 0.0640 1505 CYS A CA 11529 C C . CYS B 827 ? 0.6590 0.6012 0.6099 0.0463 0.0737 0.0626 1505 CYS A C 11530 O O . CYS B 827 ? 0.6557 0.6003 0.6142 0.0455 0.0703 0.0600 1505 CYS A O 11531 C CB . CYS B 827 ? 0.6375 0.5809 0.5974 0.0390 0.0841 0.0669 1505 CYS A CB 11532 S SG . CYS B 827 ? 0.7186 0.6483 0.6671 0.0385 0.0868 0.0726 1505 CYS A SG 11533 N N . THR B 828 ? 0.6548 0.5913 0.5944 0.0499 0.0720 0.0642 1506 THR A N 11534 C CA . THR B 828 ? 0.5883 0.5216 0.5248 0.0533 0.0664 0.0631 1506 THR A CA 11535 C C . THR B 828 ? 0.6109 0.5326 0.5391 0.0542 0.0669 0.0671 1506 THR A C 11536 O O . THR B 828 ? 0.7204 0.6372 0.6396 0.0548 0.0701 0.0708 1506 THR A O 11537 C CB . THR B 828 ? 0.5411 0.4792 0.4727 0.0573 0.0629 0.0611 1506 THR A CB 11538 O OG1 . THR B 828 ? 0.5982 0.5456 0.5371 0.0563 0.0627 0.0577 1506 THR A OG1 11539 C CG2 . THR B 828 ? 0.4151 0.3518 0.3451 0.0611 0.0575 0.0600 1506 THR A CG2 11540 N N . MET B 829 ? 0.5651 0.4816 0.4952 0.0548 0.0638 0.0665 1507 MET A N 11541 C CA . MET B 829 ? 0.5341 0.4378 0.4568 0.0558 0.0641 0.0703 1507 MET A CA 11542 C C . MET B 829 ? 0.5586 0.4596 0.4790 0.0609 0.0583 0.0684 1507 MET A C 11543 O O . MET B 829 ? 0.5572 0.4645 0.4846 0.0615 0.0551 0.0642 1507 MET A O 11544 C CB . MET B 829 ? 0.5251 0.4228 0.4540 0.0499 0.0675 0.0719 1507 MET A CB 11545 C CG . MET B 829 ? 0.6445 0.5298 0.5710 0.0506 0.0651 0.0728 1507 MET A CG 11546 S SD . MET B 829 ? 0.7520 0.6317 0.6882 0.0423 0.0685 0.0736 1507 MET A SD 11547 C CE . MET B 829 ? 0.8930 0.7713 0.8256 0.0385 0.0767 0.0800 1507 MET A CE 11548 N N . PHE B 830 ? 0.5459 0.4376 0.4558 0.0650 0.0571 0.0717 1508 PHE A N 11549 C CA . PHE B 830 ? 0.5100 0.3983 0.4173 0.0707 0.0521 0.0704 1508 PHE A CA 11550 C C . PHE B 830 ? 0.5579 0.4341 0.4663 0.0693 0.0520 0.0709 1508 PHE A C 11551 O O . PHE B 830 ? 0.6027 0.4697 0.5100 0.0648 0.0559 0.0743 1508 PHE A O 11552 C CB . PHE B 830 ? 0.5022 0.3867 0.3979 0.0766 0.0501 0.0736 1508 PHE A CB 11553 C CG . PHE B 830 ? 0.5122 0.4088 0.4071 0.0793 0.0477 0.0717 1508 PHE A CG 11554 C CD1 . PHE B 830 ? 0.5721 0.4786 0.4728 0.0825 0.0433 0.0676 1508 PHE A CD1 11555 C CD2 . PHE B 830 ? 0.5158 0.4135 0.4039 0.0786 0.0499 0.0740 1508 PHE A CD2 11556 C CE1 . PHE B 830 ? 0.6209 0.5382 0.5218 0.0842 0.0410 0.0658 1508 PHE A CE1 11557 C CE2 . PHE B 830 ? 0.5636 0.4715 0.4509 0.0807 0.0471 0.0717 1508 PHE A CE2 11558 C CZ . PHE B 830 ? 0.6154 0.5331 0.5095 0.0831 0.0425 0.0676 1508 PHE A CZ 11559 N N . TYR B 831 ? 0.5034 0.3791 0.4137 0.0733 0.0478 0.0675 1509 TYR A N 11560 C CA . TYR B 831 ? 0.4854 0.3479 0.3951 0.0732 0.0469 0.0673 1509 TYR A CA 11561 C C . TYR B 831 ? 0.6490 0.5109 0.5562 0.0810 0.0420 0.0646 1509 TYR A C 11562 O O . TYR B 831 ? 0.6351 0.5095 0.5446 0.0848 0.0396 0.0620 1509 TYR A O 11563 C CB . TYR B 831 ? 0.4802 0.3439 0.3999 0.0665 0.0479 0.0640 1509 TYR A CB 11564 C CG . TYR B 831 ? 0.5239 0.3969 0.4502 0.0686 0.0442 0.0579 1509 TYR A CG 11565 C CD1 . TYR B 831 ? 0.5443 0.4329 0.4753 0.0692 0.0438 0.0556 1509 TYR A CD1 11566 C CD2 . TYR B 831 ? 0.5731 0.4385 0.5000 0.0701 0.0413 0.0545 1509 TYR A CD2 11567 C CE1 . TYR B 831 ? 0.5776 0.4742 0.5137 0.0711 0.0410 0.0508 1509 TYR A CE1 11568 C CE2 . TYR B 831 ? 0.5638 0.4375 0.4951 0.0724 0.0383 0.0491 1509 TYR A CE2 11569 C CZ . TYR B 831 ? 0.5704 0.4599 0.5064 0.0729 0.0384 0.0476 1509 TYR A CZ 11570 O OH . TYR B 831 ? 0.5935 0.4908 0.5331 0.0753 0.0360 0.0429 1509 TYR A OH 11571 N N . SER B 832 ? 0.6479 0.4949 0.5503 0.0833 0.0408 0.0654 1510 SER A N 11572 C CA . SER B 832 ? 0.7168 0.5617 0.6168 0.0912 0.0366 0.0626 1510 SER A CA 11573 C C . SER B 832 ? 0.7032 0.5375 0.6055 0.0894 0.0357 0.0591 1510 SER A C 11574 O O . SER B 832 ? 0.6886 0.5105 0.5906 0.0836 0.0378 0.0609 1510 SER A O 11575 C CB . SER B 832 ? 0.7834 0.6190 0.6727 0.0984 0.0352 0.0670 1510 SER A CB 11576 O OG . SER B 832 ? 0.8250 0.6596 0.7129 0.1067 0.0313 0.0640 1510 SER A OG 11577 N N . THR B 833 ? 0.7499 0.5891 0.6546 0.0942 0.0325 0.0540 1511 THR A N 11578 C CA . THR B 833 ? 0.8219 0.6503 0.7273 0.0935 0.0310 0.0498 1511 THR A CA 11579 C C . THR B 833 ? 0.9090 0.7197 0.8054 0.1000 0.0292 0.0509 1511 THR A C 11580 O O . THR B 833 ? 0.9132 0.7106 0.8084 0.0989 0.0279 0.0479 1511 THR A O 11581 C CB . THR B 833 ? 0.7975 0.6383 0.7084 0.0959 0.0288 0.0436 1511 THR A CB 11582 O OG1 . THR B 833 ? 0.9319 0.7638 0.8446 0.0926 0.0274 0.0390 1511 THR A OG1 11583 C CG2 . THR B 833 ? 0.7591 0.6032 0.6659 0.1063 0.0265 0.0423 1511 THR A CG2 11584 N N . SER B 834 ? 0.9634 0.7731 0.8531 0.1067 0.0287 0.0550 1512 SER A N 11585 C CA . SER B 834 ? 1.0500 0.8430 0.9304 0.1141 0.0269 0.0569 1512 SER A CA 11586 C C . SER B 834 ? 1.1701 0.9492 1.0432 0.1114 0.0293 0.0641 1512 SER A C 11587 O O . SER B 834 ? 1.1899 0.9769 1.0623 0.1093 0.0313 0.0684 1512 SER A O 11588 C CB . SER B 834 ? 1.0810 0.8836 0.9592 0.1252 0.0241 0.0563 1512 SER A CB 11589 O OG . SER B 834 ? 1.1499 0.9558 1.0307 0.1303 0.0220 0.0501 1512 SER A OG 11590 N N . ASN B 835 ? 1.2620 1.0195 1.1288 0.1117 0.0292 0.0654 1513 ASN A N 11591 C CA . ASN B 835 ? 1.3671 1.1080 1.2253 0.1100 0.0317 0.0728 1513 ASN A CA 11592 C C . ASN B 835 ? 1.3800 1.1168 1.2278 0.1208 0.0296 0.0772 1513 ASN A C 11593 O O . ASN B 835 ? 1.3686 1.0905 1.2071 0.1209 0.0314 0.0840 1513 ASN A O 11594 C CB . ASN B 835 ? 1.4444 1.1624 1.3003 0.1058 0.0321 0.0723 1513 ASN A CB 11595 C CG . ASN B 835 ? 1.4721 1.1818 1.3256 0.1137 0.0278 0.0664 1513 ASN A CG 11596 O OD1 . ASN B 835 ? 1.4376 1.1616 1.2968 0.1171 0.0255 0.0601 1513 ASN A OD1 11597 N ND2 . ASN B 835 ? 1.4911 1.1771 1.3355 0.1170 0.0272 0.0687 1513 ASN A ND2 11598 N N . ILE B 836 ? 1.4427 1.1930 1.2920 0.1298 0.0260 0.0739 1514 ILE A N 11599 C CA . ILE B 836 ? 1.4442 1.1874 1.2848 0.1419 0.0228 0.0761 1514 ILE A CA 11600 C C . ILE B 836 ? 1.3707 1.1131 1.2028 0.1445 0.0232 0.0837 1514 ILE A C 11601 O O . ILE B 836 ? 1.3400 1.1001 1.1750 0.1434 0.0232 0.0845 1514 ILE A O 11602 C CB . ILE B 836 ? 1.4374 1.1976 1.2836 0.1506 0.0193 0.0704 1514 ILE A CB 11603 C CG1 . ILE B 836 ? 1.3923 1.1470 1.2422 0.1510 0.0185 0.0634 1514 ILE A CG1 11604 C CG2 . ILE B 836 ? 1.4494 1.2077 1.2881 0.1633 0.0159 0.0735 1514 ILE A CG2 11605 C CD1 . ILE B 836 ? 1.3378 1.1053 1.1910 0.1613 0.0157 0.0585 1514 ILE A CD1 11606 N N . LYS B 837 ? 1.8620 1.5355 1.7947 -0.1224 -0.0616 0.2861 1515 LYS A N 11607 C CA . LYS B 837 ? 1.7494 1.4516 1.6971 -0.0908 -0.0346 0.2956 1515 LYS A CA 11608 C C . LYS B 837 ? 1.8235 1.4326 1.7239 -0.0958 -0.0448 0.2856 1515 LYS A C 11609 O O . LYS B 837 ? 1.7792 1.3256 1.6572 -0.1299 -0.0740 0.2860 1515 LYS A O 11610 C CB . LYS B 837 ? 1.6413 1.4132 1.6535 -0.0978 -0.0297 0.3413 1515 LYS A CB 11611 C CG . LYS B 837 ? 1.5572 1.3794 1.5861 -0.0616 0.0013 0.3527 1515 LYS A CG 11612 C CD . LYS B 837 ? 1.5518 1.3694 1.6051 -0.0757 -0.0012 0.3937 1515 LYS A CD 11613 C CE . LYS B 837 ? 1.5008 1.3475 1.5533 -0.0400 0.0266 0.4027 1515 LYS A CE 11614 N NZ . LYS B 837 ? 1.4350 1.3734 1.5268 -0.0213 0.0498 0.4250 1515 LYS A NZ 11615 N N . ILE B 838 ? 1.9469 1.5388 1.8281 -0.0636 -0.0249 0.2762 1516 ILE A N 11616 C CA . ILE B 838 ? 1.9337 1.5913 1.8393 -0.0276 0.0038 0.2820 1516 ILE A CA 11617 C C . ILE B 838 ? 2.1465 1.8196 2.0276 0.0054 0.0225 0.2454 1516 ILE A C 11618 O O . ILE B 838 ? 2.1339 1.7653 1.9771 0.0031 0.0174 0.2158 1516 ILE A O 11619 C CB . ILE B 838 ? 1.7546 1.3841 1.6585 -0.0163 0.0091 0.3020 1516 ILE A CB 11620 C CG1 . ILE B 838 ? 1.6528 1.2401 1.5692 -0.0564 -0.0163 0.3345 1516 ILE A CG1 11621 C CG2 . ILE B 838 ? 1.6586 1.3638 1.5958 0.0096 0.0323 0.3233 1516 ILE A CG2 11622 C CD1 . ILE B 838 ? 1.6636 1.1442 1.5320 -0.0613 -0.0317 0.3237 1516 ILE A CD1 11623 N N . GLN B 839 ? 2.3257 2.0591 2.2272 0.0345 0.0432 0.2497 1517 GLN A N 11624 C CA . GLN B 839 ? 2.4600 2.2190 2.3486 0.0653 0.0597 0.2228 1517 GLN A CA 11625 C C . GLN B 839 ? 2.5536 2.3150 2.4393 0.0961 0.0736 0.2281 1517 GLN A C 11626 O O . GLN B 839 ? 2.5607 2.3740 2.4581 0.1196 0.0861 0.2281 1517 GLN A O 11627 C CB . GLN B 839 ? 2.4523 2.2804 2.3671 0.0676 0.0646 0.2235 1517 GLN A CB 11628 C CG . GLN B 839 ? 2.4919 2.3457 2.3960 0.0896 0.0748 0.1973 1517 GLN A CG 11629 C CD . GLN B 839 ? 2.4951 2.4117 2.4219 0.1046 0.0831 0.2055 1517 GLN A CD 11630 O OE1 . GLN B 839 ? 2.4995 2.4450 2.4500 0.0948 0.0811 0.2243 1517 GLN A OE1 11631 N NE2 . GLN B 839 ? 2.4924 2.4304 2.4114 0.1297 0.0921 0.1925 1517 GLN A NE2 11632 N N . LYS B 840 ? 2.4382 2.1376 2.3049 0.0960 0.0687 0.2331 1518 LYS A N 11633 C CA . LYS B 840 ? 2.2899 1.9865 2.1567 0.1228 0.0783 0.2457 1518 LYS A CA 11634 C C . LYS B 840 ? 2.1973 1.9105 2.0534 0.1576 0.0921 0.2214 1518 LYS A C 11635 O O . LYS B 840 ? 2.1388 1.8995 2.0091 0.1802 0.1010 0.2297 1518 LYS A O 11636 C CB . LYS B 840 ? 2.3032 1.9196 2.1505 0.1136 0.0670 0.2568 1518 LYS A CB 11637 C CG . LYS B 840 ? 2.2629 1.8720 2.1311 0.0797 0.0525 0.2925 1518 LYS A CG 11638 C CD . LYS B 840 ? 2.2088 1.8418 2.0966 0.0915 0.0600 0.3282 1518 LYS A CD 11639 C CE . LYS B 840 ? 2.1442 1.8219 2.0699 0.0629 0.0562 0.3675 1518 LYS A CE 11640 N NZ . LYS B 840 ? 2.1802 1.7997 2.1101 0.0235 0.0333 0.3916 1518 LYS A NZ 11641 N N . VAL B 841 ? 2.1736 1.8491 2.0037 0.1622 0.0936 0.1929 1519 VAL A N 11642 C CA . VAL B 841 ? 2.0944 1.7908 1.9214 0.1948 0.1079 0.1740 1519 VAL A CA 11643 C C . VAL B 841 ? 2.1437 1.8138 1.9442 0.1931 0.1123 0.1440 1519 VAL A C 11644 O O . VAL B 841 ? 2.1929 1.8118 1.9670 0.1691 0.1023 0.1357 1519 VAL A O 11645 C CB . VAL B 841 ? 2.0131 1.6819 1.8365 0.2239 0.1131 0.1842 1519 VAL A CB 11646 C CG1 . VAL B 841 ? 2.0604 1.6579 1.8499 0.2381 0.1178 0.1638 1519 VAL A CG1 11647 C CG2 . VAL B 841 ? 1.8998 1.6350 1.7477 0.2523 0.1220 0.1887 1519 VAL A CG2 11648 N N . CYS B 842 ? 2.1284 1.8349 1.9350 0.2175 0.1264 0.1294 1520 CYS A N 11649 C CA . CYS B 842 ? 2.1910 1.8903 1.9768 0.2180 0.1352 0.1043 1520 CYS A CA 11650 C C . CYS B 842 ? 2.2840 1.9488 2.0498 0.2513 0.1520 0.0913 1520 CYS A C 11651 O O . CYS B 842 ? 2.3496 1.9988 2.0894 0.2550 0.1633 0.0706 1520 CYS A O 11652 C CB . CYS B 842 ? 2.1322 1.9087 1.9462 0.2155 0.1381 0.1012 1520 CYS A CB 11653 S SG . CYS B 842 ? 2.1409 1.9412 1.9467 0.2209 0.1528 0.0792 1520 CYS A SG 11654 N N . GLU B 843 ? 2.2281 1.8792 2.0034 0.2770 0.1547 0.1043 1521 GLU A N 11655 C CA . GLU B 843 ? 2.1995 1.8017 1.9535 0.3120 0.1688 0.0952 1521 GLU A CA 11656 C C . GLU B 843 ? 2.1165 1.7645 1.8818 0.3413 0.1920 0.0812 1521 GLU A C 11657 O O . GLU B 843 ? 2.1472 1.7682 1.8788 0.3429 0.2047 0.0596 1521 GLU A O 11658 C CB . GLU B 843 ? 2.2356 1.7352 1.9321 0.2997 0.1626 0.0802 1521 GLU A CB 11659 C CG . GLU B 843 ? 2.2021 1.6497 1.8918 0.2727 0.1387 0.0995 1521 GLU A CG 11660 C CD . GLU B 843 ? 2.2372 1.5707 1.8680 0.2645 0.1283 0.0863 1521 GLU A CD 11661 O OE1 . GLU B 843 ? 2.2806 1.5590 1.8805 0.2995 0.1412 0.0717 1521 GLU A OE1 11662 O OE2 . GLU B 843 ? 2.2200 1.5176 1.8353 0.2236 0.1058 0.0911 1521 GLU A OE2 11663 N N . GLY B 844 ? 1.9885 1.7074 1.8006 0.3638 0.1971 0.0954 1522 GLY A N 11664 C CA . GLY B 844 ? 1.9225 1.6891 1.7566 0.3962 0.2188 0.0898 1522 GLY A CA 11665 C C . GLY B 844 ? 1.8034 1.6281 1.6487 0.3798 0.2265 0.0794 1522 GLY A C 11666 O O . GLY B 844 ? 1.7429 1.6282 1.6189 0.3581 0.2133 0.0883 1522 GLY A O 11667 N N . ALA B 845 ? 1.8200 1.6235 1.6368 0.3916 0.2483 0.0611 1523 ALA A N 11668 C CA . ALA B 845 ? 1.7970 1.6473 1.6171 0.3756 0.2583 0.0525 1523 ALA A CA 11669 C C . ALA B 845 ? 1.8545 1.6493 1.6235 0.3376 0.2466 0.0374 1523 ALA A C 11670 O O . ALA B 845 ? 1.8997 1.6385 1.6461 0.3190 0.2267 0.0383 1523 ALA A O 11671 C CB . ALA B 845 ? 1.8179 1.6858 1.6376 0.4131 0.2922 0.0453 1523 ALA A CB 11672 N N . ALA B 846 ? 1.8339 1.6453 1.5856 0.3253 0.2581 0.0262 1524 ALA A N 11673 C CA . ALA B 846 ? 1.8572 1.6361 1.5718 0.2848 0.2422 0.0168 1524 ALA A CA 11674 C C . ALA B 846 ? 1.8154 1.6165 1.5614 0.2549 0.2128 0.0312 1524 ALA A C 11675 O O . ALA B 846 ? 1.8361 1.5921 1.5579 0.2280 0.1934 0.0296 1524 ALA A O 11676 C CB . ALA B 846 ? 1.9216 1.5979 1.5632 0.2825 0.2412 -0.0020 1524 ALA A CB 11677 N N . CYS B 847 ? 1.6251 1.4979 1.4257 0.2614 0.2097 0.0463 1525 CYS A N 11678 C CA . CYS B 847 ? 1.4173 1.3120 1.2472 0.2479 0.1872 0.0610 1525 CYS A CA 11679 C C . CYS B 847 ? 1.1764 1.1449 1.0464 0.2366 0.1783 0.0691 1525 CYS A C 11680 O O . CYS B 847 ? 1.0843 1.0628 0.9635 0.2180 0.1593 0.0755 1525 CYS A O 11681 C CB . CYS B 847 ? 1.4971 1.3845 1.3430 0.2754 0.1877 0.0730 1525 CYS A CB 11682 S SG . CYS B 847 ? 1.5207 1.4031 1.3761 0.2564 0.1636 0.0891 1525 CYS A SG 11683 N N . LYS B 848 ? 1.1089 1.1287 1.0030 0.2471 0.1908 0.0702 1526 LYS A N 11684 C CA . LYS B 848 ? 1.0490 1.1350 0.9832 0.2363 0.1779 0.0800 1526 LYS A CA 11685 C C . LYS B 848 ? 1.0150 1.0993 0.9385 0.2016 0.1613 0.0757 1526 LYS A C 11686 O O . LYS B 848 ? 1.0272 1.1487 0.9747 0.1904 0.1441 0.0821 1526 LYS A O 11687 C CB . LYS B 848 ? 1.0019 1.1447 0.9678 0.2506 0.1948 0.0856 1526 LYS A CB 11688 C CG . LYS B 848 ? 0.9585 1.1222 0.9205 0.2265 0.1992 0.0822 1526 LYS A CG 11689 C CD . LYS B 848 ? 0.9515 1.1186 0.9018 0.2443 0.2316 0.0781 1526 LYS A CD 11690 C CE . LYS B 848 ? 0.9418 1.1425 0.8950 0.2185 0.2350 0.0811 1526 LYS A CE 11691 N NZ . LYS B 848 ? 1.0375 1.2421 0.9715 0.2357 0.2705 0.0777 1526 LYS A NZ 11692 N N . CYS B 849 ? 0.9783 1.0167 0.8639 0.1849 0.1638 0.0652 1527 CYS A N 11693 C CA . CYS B 849 ? 0.9283 0.9659 0.8062 0.1539 0.1475 0.0632 1527 CYS A CA 11694 C C . CYS B 849 ? 0.8950 0.9117 0.7707 0.1439 0.1281 0.0667 1527 CYS A C 11695 O O . CYS B 849 ? 0.9229 0.9578 0.8098 0.1291 0.1119 0.0695 1527 CYS A O 11696 C CB . CYS B 849 ? 0.9594 0.9617 0.7977 0.1397 0.1566 0.0529 1527 CYS A CB 11697 S SG . CYS B 849 ? 0.9427 0.9836 0.7838 0.1455 0.1813 0.0525 1527 CYS A SG 11698 N N . VAL B 850 ? 0.9038 0.8822 0.7655 0.1527 0.1299 0.0680 1528 VAL A N 11699 C CA . VAL B 850 ? 0.9246 0.8928 0.7905 0.1448 0.1151 0.0765 1528 VAL A CA 11700 C C . VAL B 850 ? 0.9045 0.9125 0.7970 0.1599 0.1096 0.0859 1528 VAL A C 11701 O O . VAL B 850 ? 0.9059 0.9310 0.8061 0.1522 0.0971 0.0893 1528 VAL A O 11702 C CB . VAL B 850 ? 0.9154 0.8322 0.7614 0.1459 0.1168 0.0796 1528 VAL A CB 11703 C CG1 . VAL B 850 ? 0.9043 0.8109 0.7535 0.1264 0.1017 0.0897 1528 VAL A CG1 11704 C CG2 . VAL B 850 ? 1.0735 0.9451 0.8839 0.1420 0.1259 0.0661 1528 VAL A CG2 11705 N N . GLU B 851 ? 0.9391 0.9596 0.8425 0.1834 0.1183 0.0901 1529 GLU A N 11706 C CA . GLU B 851 ? 0.9589 1.0158 0.8826 0.1984 0.1110 0.0994 1529 GLU A CA 11707 C C . GLU B 851 ? 1.0057 1.1087 0.9494 0.1951 0.1034 0.0966 1529 GLU A C 11708 O O . GLU B 851 ? 1.0816 1.2162 1.0426 0.2088 0.0965 0.1039 1529 GLU A O 11709 C CB . GLU B 851 ? 0.9764 1.0274 0.9056 0.2246 0.1202 0.1082 1529 GLU A CB 11710 C CG . GLU B 851 ? 1.0327 1.0350 0.9434 0.2261 0.1236 0.1150 1529 GLU A CG 11711 C CD . GLU B 851 ? 1.0655 1.0731 0.9759 0.2213 0.1133 0.1281 1529 GLU A CD 11712 O OE1 . GLU B 851 ? 1.0590 1.1039 0.9784 0.2275 0.1051 0.1317 1529 GLU A OE1 11713 O OE2 . GLU B 851 ? 1.1167 1.0914 1.0166 0.2111 0.1132 0.1357 1529 GLU A OE2 11714 N N . ALA B 852 ? 1.0064 1.1127 0.9475 0.1751 0.1019 0.0885 1530 ALA A N 11715 C CA . ALA B 852 ? 1.0140 1.1625 0.9769 0.1677 0.0941 0.0891 1530 ALA A CA 11716 C C . ALA B 852 ? 1.0207 1.1840 0.9872 0.1625 0.0705 0.0907 1530 ALA A C 11717 O O . ALA B 852 ? 1.0086 1.2055 0.9943 0.1684 0.0592 0.0964 1530 ALA A O 11718 C CB . ALA B 852 ? 1.0045 1.1481 0.9597 0.1455 0.0980 0.0827 1530 ALA A CB 11719 N N . ASP B 853 ? 1.0815 1.2190 1.0282 0.1522 0.0617 0.0858 1531 ASP A N 11720 C CA . ASP B 853 ? 1.2209 1.3627 1.1616 0.1471 0.0403 0.0830 1531 ASP A CA 11721 C C . ASP B 853 ? 1.1983 1.3275 1.1217 0.1639 0.0383 0.0857 1531 ASP A C 11722 O O . ASP B 853 ? 1.2535 1.3720 1.1607 0.1627 0.0266 0.0810 1531 ASP A O 11723 C CB . ASP B 853 ? 1.3829 1.5080 1.3151 0.1250 0.0319 0.0760 1531 ASP A CB 11724 C CG . ASP B 853 ? 1.5397 1.6670 1.4671 0.1174 0.0073 0.0713 1531 ASP A CG 11725 O OD1 . ASP B 853 ? 1.5628 1.7105 1.4970 0.1231 -0.0052 0.0732 1531 ASP A OD1 11726 O OD2 . ASP B 853 ? 1.6493 1.7545 1.5647 0.1056 -0.0019 0.0660 1531 ASP A OD2 11727 N N . CYS B 854 ? 1.1084 1.2376 1.0333 0.1813 0.0506 0.0946 1532 CYS A N 11728 C CA . CYS B 854 ? 1.1064 1.2290 1.0151 0.1971 0.0508 0.1017 1532 CYS A CA 11729 C C . CYS B 854 ? 1.0201 1.1590 0.9329 0.2167 0.0508 0.1120 1532 CYS A C 11730 O O . CYS B 854 ? 0.8101 0.9633 0.7432 0.2207 0.0546 0.1150 1532 CYS A O 11731 C CB . CYS B 854 ? 1.0608 1.1599 0.9643 0.1952 0.0649 0.1086 1532 CYS A CB 11732 S SG . CYS B 854 ? 0.9388 1.0151 0.8511 0.1897 0.0807 0.1124 1532 CYS A SG 11733 N N . GLY B 855 ? 0.9492 1.0870 0.8417 0.2311 0.0475 0.1190 1533 GLY A N 11734 C CA . GLY B 855 ? 0.9679 1.1218 0.8577 0.2489 0.0409 0.1293 1533 GLY A CA 11735 C C . GLY B 855 ? 0.9320 1.0801 0.8346 0.2613 0.0560 0.1444 1533 GLY A C 11736 O O . GLY B 855 ? 0.9175 1.0419 0.8207 0.2577 0.0714 0.1492 1533 GLY A O 11737 N N . GLN B 856 ? 0.9223 1.0906 0.8356 0.2757 0.0483 0.1532 1534 GLN A N 11738 C CA . GLN B 856 ? 0.9605 1.1217 0.8852 0.2926 0.0593 0.1689 1534 GLN A CA 11739 C C . GLN B 856 ? 0.9881 1.1577 0.8942 0.3101 0.0491 0.1854 1534 GLN A C 11740 O O . GLN B 856 ? 0.9917 1.1876 0.8953 0.3143 0.0289 0.1852 1534 GLN A O 11741 C CB . GLN B 856 ? 0.9385 1.1194 0.8978 0.2985 0.0618 0.1676 1534 GLN A CB 11742 C CG . GLN B 856 ? 0.9076 1.0878 0.8798 0.2805 0.0701 0.1511 1534 GLN A CG 11743 C CD . GLN B 856 ? 0.9057 1.0418 0.8640 0.2724 0.0881 0.1457 1534 GLN A CD 11744 O OE1 . GLN B 856 ? 0.9622 1.0707 0.9181 0.2849 0.1001 0.1530 1534 GLN A OE1 11745 N NE2 . GLN B 856 ? 0.8404 0.9661 0.7881 0.2505 0.0871 0.1335 1534 GLN A NE2 11746 N N . MET B 857 ? 0.9922 1.1387 0.8832 0.3180 0.0607 0.2012 1535 MET A N 11747 C CA . MET B 857 ? 1.0177 1.1703 0.8859 0.3347 0.0533 0.2202 1535 MET A CA 11748 C C . MET B 857 ? 1.0234 1.1919 0.9129 0.3522 0.0434 0.2322 1535 MET A C 11749 O O . MET B 857 ? 1.0007 1.1614 0.9200 0.3576 0.0530 0.2333 1535 MET A O 11750 C CB . MET B 857 ? 1.0445 1.1710 0.8973 0.3363 0.0697 0.2393 1535 MET A CB 11751 C CG . MET B 857 ? 1.1171 1.2504 0.9387 0.3522 0.0651 0.2613 1535 MET A CG 11752 S SD . MET B 857 ? 1.1711 1.2845 0.9766 0.3483 0.0865 0.2868 1535 MET A SD 11753 C CE . MET B 857 ? 1.2046 1.2812 1.0411 0.3466 0.0937 0.3025 1535 MET A CE 11754 N N . GLN B 858 ? 1.0631 1.2533 0.9352 0.3629 0.0235 0.2411 1536 GLN A N 11755 C CA . GLN B 858 ? 1.0853 1.2965 0.9800 0.3807 0.0103 0.2569 1536 GLN A CA 11756 C C . GLN B 858 ? 1.1052 1.2900 1.0025 0.3979 0.0239 0.2806 1536 GLN A C 11757 O O . GLN B 858 ? 1.0511 1.2045 0.9253 0.3940 0.0389 0.2888 1536 GLN A O 11758 C CB . GLN B 858 ? 1.1110 1.3462 0.9783 0.3855 -0.0187 0.2627 1536 GLN A CB 11759 C CG . GLN B 858 ? 1.1064 1.3687 0.9820 0.3696 -0.0414 0.2432 1536 GLN A CG 11760 C CD . GLN B 858 ? 1.0998 1.4001 1.0361 0.3710 -0.0492 0.2467 1536 GLN A CD 11761 O OE1 . GLN B 858 ? 1.1153 1.4279 1.0810 0.3908 -0.0463 0.2662 1536 GLN A OE1 11762 N NE2 . GLN B 858 ? 1.0430 1.3635 1.0001 0.3511 -0.0584 0.2299 1536 GLN A NE2 11763 N N . GLU B 859 ? 1.1339 1.3323 1.0627 0.4171 0.0177 0.2937 1537 GLU A N 11764 C CA . GLU B 859 ? 1.2140 1.3820 1.1443 0.4362 0.0266 0.3174 1537 GLU A CA 11765 C C . GLU B 859 ? 1.1259 1.2873 1.0141 0.4413 0.0170 0.3410 1537 GLU A C 11766 O O . GLU B 859 ? 1.1378 1.3289 1.0061 0.4437 -0.0048 0.3449 1537 GLU A O 11767 C CB . GLU B 859 ? 1.2922 1.4806 1.2665 0.4609 0.0208 0.3276 1537 GLU A CB 11768 C CG . GLU B 859 ? 1.3491 1.5267 1.3583 0.4647 0.0414 0.3111 1537 GLU A CG 11769 C CD . GLU B 859 ? 1.4449 1.5557 1.4364 0.4639 0.0630 0.3103 1537 GLU A CD 11770 O OE1 . GLU B 859 ? 1.4668 1.5568 1.4594 0.4505 0.0791 0.2883 1537 GLU A OE1 11771 O OE2 . GLU B 859 ? 1.4991 1.5761 1.4736 0.4746 0.0616 0.3331 1537 GLU A OE2 11772 N N . GLU B 860 ? 1.1505 1.2708 1.0223 0.4414 0.0325 0.3579 1538 GLU A N 11773 C CA . GLU B 860 ? 1.2292 1.3431 1.0585 0.4438 0.0297 0.3833 1538 GLU A CA 11774 C C . GLU B 860 ? 1.2476 1.3748 1.0740 0.4671 0.0092 0.4092 1538 GLU A C 11775 O O . GLU B 860 ? 1.2494 1.3598 1.1049 0.4841 0.0089 0.4238 1538 GLU A O 11776 C CB . GLU B 860 ? 1.3022 1.3714 1.1248 0.4348 0.0503 0.3999 1538 GLU A CB 11777 C CG . GLU B 860 ? 1.4265 1.4954 1.2067 0.4322 0.0547 0.4268 1538 GLU A CG 11778 C CD . GLU B 860 ? 1.5130 1.5478 1.2952 0.4147 0.0750 0.4419 1538 GLU A CD 11779 O OE1 . GLU B 860 ? 1.5057 1.5048 1.3171 0.4074 0.0807 0.4349 1538 GLU A OE1 11780 O OE2 . GLU B 860 ? 1.5898 1.6338 1.3433 0.4081 0.0850 0.4616 1538 GLU A OE2 11781 N N . LEU B 861 ? 1.3051 1.4589 1.0930 0.4693 -0.0090 0.4148 1539 LEU A N 11782 C CA . LEU B 861 ? 1.3740 1.5438 1.1516 0.4890 -0.0341 0.4406 1539 LEU A CA 11783 C C . LEU B 861 ? 1.3643 1.5614 1.1986 0.5028 -0.0509 0.4376 1539 LEU A C 11784 O O . LEU B 861 ? 1.3900 1.5857 1.2445 0.5246 -0.0605 0.4635 1539 LEU A O 11785 C CB . LEU B 861 ? 1.3453 1.4819 1.1048 0.5005 -0.0260 0.4786 1539 LEU A CB 11786 C CG . LEU B 861 ? 1.3651 1.4803 1.0776 0.4878 -0.0053 0.4916 1539 LEU A CG 11787 C CD1 . LEU B 861 ? 1.4226 1.5090 1.1215 0.4984 -0.0028 0.5353 1539 LEU A CD1 11788 C CD2 . LEU B 861 ? 1.3768 1.5179 1.0319 0.4835 -0.0127 0.4815 1539 LEU A CD2 11789 N N . ASP B 862 ? 1.2783 1.5027 1.1412 0.4910 -0.0539 0.4082 1540 ASP A N 11790 C CA . ASP B 862 ? 1.2167 1.4780 1.1406 0.5025 -0.0659 0.4064 1540 ASP A CA 11791 C C . ASP B 862 ? 1.2386 1.5453 1.1572 0.5051 -0.1053 0.4171 1540 ASP A C 11792 O O . ASP B 862 ? 1.2313 1.5542 1.1222 0.4857 -0.1227 0.3992 1540 ASP A O 11793 C CB . ASP B 862 ? 1.2807 1.5536 1.2379 0.4862 -0.0513 0.3747 1540 ASP A CB 11794 C CG . ASP B 862 ? 1.2661 1.5679 1.2916 0.5034 -0.0473 0.3766 1540 ASP A CG 11795 O OD1 . ASP B 862 ? 1.3141 1.6172 1.3628 0.5309 -0.0510 0.4014 1540 ASP A OD1 11796 O OD2 . ASP B 862 ? 1.2218 1.5452 1.2774 0.4911 -0.0389 0.3548 1540 ASP A OD2 11797 N N . LEU B 863 ? 1.3629 1.6863 1.3068 0.5292 -0.1220 0.4465 1541 LEU A N 11798 C CA . LEU B 863 ? 1.3040 1.6676 1.2403 0.5321 -0.1643 0.4631 1541 LEU A CA 11799 C C . LEU B 863 ? 1.2748 1.7005 1.2775 0.5283 -0.1857 0.4575 1541 LEU A C 11800 O O . LEU B 863 ? 1.2999 1.7627 1.2995 0.5236 -0.2267 0.4687 1541 LEU A O 11801 C CB . LEU B 863 ? 1.3586 1.7138 1.2919 0.5597 -0.1758 0.5026 1541 LEU A CB 11802 C CG . LEU B 863 ? 1.3950 1.6919 1.2707 0.5640 -0.1550 0.5176 1541 LEU A CG 11803 C CD1 . LEU B 863 ? 1.3869 1.6443 1.2991 0.5788 -0.1213 0.5228 1541 LEU A CD1 11804 C CD2 . LEU B 863 ? 1.5010 1.7990 1.3370 0.5780 -0.1838 0.5537 1541 LEU A CD2 11805 N N . THR B 864 ? 1.2650 1.7038 1.3262 0.5290 -0.1601 0.4424 1542 THR A N 11806 C CA . THR B 864 ? 1.2378 1.7428 1.3682 0.5245 -0.1759 0.4410 1542 THR A CA 11807 C C . THR B 864 ? 1.2466 1.7682 1.3579 0.4877 -0.1948 0.4156 1542 THR A C 11808 O O . THR B 864 ? 1.1628 1.7430 1.3259 0.4770 -0.2187 0.4195 1542 THR A O 11809 C CB . THR B 864 ? 1.1951 1.7081 1.3892 0.5409 -0.1381 0.4347 1542 THR A CB 11810 O OG1 . THR B 864 ? 1.1887 1.7745 1.4527 0.5350 -0.1502 0.4363 1542 THR A OG1 11811 C CG2 . THR B 864 ? 1.1540 1.6142 1.3144 0.5242 -0.1020 0.4031 1542 THR A CG2 11812 N N . ILE B 865 ? 1.2967 1.7691 1.3388 0.4685 -0.1852 0.3918 1543 ILE A N 11813 C CA . ILE B 865 ? 1.3663 1.8435 1.3816 0.4363 -0.2055 0.3671 1543 ILE A CA 11814 C C . ILE B 865 ? 1.4939 1.9923 1.4812 0.4293 -0.2577 0.3799 1543 ILE A C 11815 O O . ILE B 865 ? 1.5536 2.0259 1.4817 0.4407 -0.2700 0.3926 1543 ILE A O 11816 C CB . ILE B 865 ? 1.3595 1.7783 1.3067 0.4239 -0.1817 0.3410 1543 ILE A CB 11817 C CG1 . ILE B 865 ? 1.2759 1.6808 1.2559 0.4197 -0.1402 0.3234 1543 ILE A CG1 11818 C CG2 . ILE B 865 ? 1.3769 1.7886 1.2759 0.3977 -0.2106 0.3191 1543 ILE A CG2 11819 C CD1 . ILE B 865 ? 1.2554 1.6391 1.2571 0.4441 -0.1070 0.3373 1543 ILE A CD1 11820 N N . SER B 866 ? 1.5660 2.1105 1.5930 0.4082 -0.2902 0.3778 1544 SER A N 11821 C CA . SER B 866 ? 1.6796 2.2655 1.7179 0.4044 -0.3436 0.4007 1544 SER A CA 11822 C C . SER B 866 ? 1.7882 2.3451 1.7466 0.3775 -0.3876 0.3834 1544 SER A C 11823 O O . SER B 866 ? 1.8573 2.4511 1.8350 0.3591 -0.4379 0.3936 1544 SER A O 11824 C CB . SER B 866 ? 1.6572 2.3215 1.8019 0.3983 -0.3549 0.4168 1544 SER A CB 11825 O OG . SER B 866 ? 1.6175 2.2858 1.7906 0.3775 -0.3312 0.3931 1544 SER A OG 11826 N N . ALA B 867 ? 1.7654 2.2565 1.6344 0.3753 -0.3707 0.3579 1545 ALA A N 11827 C CA . ALA B 867 ? 1.8119 2.2619 1.5862 0.3592 -0.4082 0.3402 1545 ALA A CA 11828 C C . ALA B 867 ? 1.7876 2.2470 1.5731 0.3232 -0.4462 0.3211 1545 ALA A C 11829 O O . ALA B 867 ? 1.8276 2.2339 1.5358 0.3087 -0.4570 0.2915 1545 ALA A O 11830 C CB . ALA B 867 ? 1.8822 2.3358 1.6139 0.3719 -0.4475 0.3660 1545 ALA A CB 11831 N N . GLU B 868 ? 1.7303 2.2561 1.6106 0.3092 -0.4675 0.3395 1546 GLU A N 11832 C CA . GLU B 868 ? 1.7254 2.2652 1.6299 0.2709 -0.5011 0.3263 1546 GLU A CA 11833 C C . GLU B 868 ? 1.6718 2.2096 1.6168 0.2603 -0.4583 0.3062 1546 GLU A C 11834 O O . GLU B 868 ? 1.6616 2.1723 1.5830 0.2308 -0.4751 0.2827 1546 GLU A O 11835 C CB . GLU B 868 ? 1.7162 2.3378 1.7115 0.2573 -0.5441 0.3602 1546 GLU A CB 11836 C CG . GLU B 868 ? 1.7749 2.3881 1.7328 0.2216 -0.6174 0.3579 1546 GLU A CG 11837 C CD . GLU B 868 ? 1.7400 2.4282 1.8022 0.1878 -0.6488 0.3775 1546 GLU A CD 11838 O OE1 . GLU B 868 ? 1.6720 2.4034 1.8173 0.1880 -0.6074 0.3814 1546 GLU A OE1 11839 O OE2 . GLU B 868 ? 1.7801 2.4845 1.8398 0.1599 -0.7156 0.3904 1546 GLU A OE2 11840 N N . THR B 869 ? 1.6321 2.1934 1.6337 0.2834 -0.4056 0.3152 1547 THR A N 11841 C CA . THR B 869 ? 1.5803 2.1270 1.6012 0.2766 -0.3617 0.2940 1547 THR A CA 11842 C C . THR B 869 ? 1.5373 2.0060 1.4668 0.2801 -0.3397 0.2633 1547 THR A C 11843 O O . THR B 869 ? 1.4830 1.9289 1.4092 0.2648 -0.3207 0.2408 1547 THR A O 11844 C CB . THR B 869 ? 1.5530 2.1356 1.6462 0.3025 -0.3134 0.3101 1547 THR A CB 11845 O OG1 . THR B 869 ? 1.5872 2.1440 1.6474 0.3358 -0.2939 0.3204 1547 THR A OG1 11846 C CG2 . THR B 869 ? 1.5508 2.2185 1.7437 0.3017 -0.3291 0.3403 1547 THR A CG2 11847 N N . ARG B 870 ? 1.5340 1.9652 1.3910 0.3005 -0.3413 0.2646 1548 ARG A N 11848 C CA . ARG B 870 ? 1.5188 1.8833 1.2881 0.3056 -0.3223 0.2390 1548 ARG A CA 11849 C C . ARG B 870 ? 1.6377 1.9622 1.3382 0.2838 -0.3627 0.2143 1548 ARG A C 11850 O O . ARG B 870 ? 1.6708 1.9441 1.3138 0.2839 -0.3455 0.1880 1548 ARG A O 11851 C CB . ARG B 870 ? 1.4747 1.8174 1.1907 0.3355 -0.3074 0.2531 1548 ARG A CB 11852 C CG . ARG B 870 ? 1.4215 1.7241 1.1025 0.3496 -0.2576 0.2414 1548 ARG A CG 11853 C CD . ARG B 870 ? 1.4908 1.7699 1.1070 0.3744 -0.2483 0.2566 1548 ARG A CD 11854 N NE . ARG B 870 ? 1.5043 1.8146 1.1605 0.3913 -0.2502 0.2906 1548 ARG A NE 11855 C CZ . ARG B 870 ? 1.4543 1.7650 1.1422 0.4081 -0.2128 0.3079 1548 ARG A CZ 11856 N NH1 . ARG B 870 ? 1.3990 1.6847 1.0855 0.4073 -0.1720 0.2956 1548 ARG A NH1 11857 N NH2 . ARG B 870 ? 1.4666 1.8001 1.1876 0.4253 -0.2188 0.3387 1548 ARG A NH2 11858 N N . LYS B 871 ? 1.7076 2.0524 1.4130 0.2656 -0.4175 0.2229 1549 LYS A N 11859 C CA . LYS B 871 ? 1.7651 2.0650 1.4040 0.2414 -0.4639 0.1992 1549 LYS A CA 11860 C C . LYS B 871 ? 1.7393 2.0528 1.4338 0.2062 -0.4774 0.1891 1549 LYS A C 11861 O O . LYS B 871 ? 1.7810 2.0384 1.4219 0.1918 -0.4863 0.1598 1549 LYS A O 11862 C CB . LYS B 871 ? 1.8020 2.1100 1.4095 0.2354 -0.5236 0.2147 1549 LYS A CB 11863 C CG . LYS B 871 ? 1.8442 2.0976 1.3758 0.2082 -0.5802 0.1900 1549 LYS A CG 11864 C CD . LYS B 871 ? 1.8118 2.1137 1.4180 0.1684 -0.6344 0.2062 1549 LYS A CD 11865 C CE . LYS B 871 ? 1.8941 2.1316 1.4184 0.1383 -0.6981 0.1822 1549 LYS A CE 11866 N NZ . LYS B 871 ? 1.9861 2.1747 1.3986 0.1539 -0.7322 0.1771 1549 LYS A NZ 11867 N N . GLN B 872 ? 1.6783 2.0657 1.4794 0.1937 -0.4780 0.2144 1550 GLN A N 11868 C CA . GLN B 872 ? 1.6552 2.0631 1.5147 0.1596 -0.4863 0.2101 1550 GLN A CA 11869 C C . GLN B 872 ? 1.6135 1.9889 1.4677 0.1634 -0.4360 0.1874 1550 GLN A C 11870 O O . GLN B 872 ? 1.6668 2.0172 1.5166 0.1362 -0.4478 0.1705 1550 GLN A O 11871 C CB . GLN B 872 ? 1.6186 2.1213 1.5962 0.1517 -0.4883 0.2458 1550 GLN A CB 11872 C CG . GLN B 872 ? 1.5902 2.1258 1.6348 0.1142 -0.4978 0.2486 1550 GLN A CG 11873 C CD . GLN B 872 ? 1.5369 2.1750 1.6988 0.1084 -0.5013 0.2879 1550 GLN A CD 11874 O OE1 . GLN B 872 ? 1.5452 2.2277 1.7367 0.1296 -0.5088 0.3131 1550 GLN A OE1 11875 N NE2 . GLN B 872 ? 1.4793 2.1576 1.7095 0.0811 -0.4947 0.2955 1550 GLN A NE2 11876 N N . THR B 873 ? 1.5213 1.8943 1.3755 0.1952 -0.3829 0.1883 1551 THR A N 11877 C CA . THR B 873 ? 1.4477 1.7863 1.2899 0.1988 -0.3389 0.1674 1551 THR A CA 11878 C C . THR B 873 ? 1.5426 1.8041 1.2875 0.2002 -0.3472 0.1371 1551 THR A C 11879 O O . THR B 873 ? 1.5511 1.7811 1.2863 0.1890 -0.3345 0.1173 1551 THR A O 11880 C CB . THR B 873 ? 1.3047 1.6559 1.1682 0.2298 -0.2861 0.1777 1551 THR A CB 11881 O OG1 . THR B 873 ? 1.2782 1.6954 1.2263 0.2343 -0.2785 0.2044 1551 THR A OG1 11882 C CG2 . THR B 873 ? 1.1847 1.5079 1.0467 0.2291 -0.2446 0.1599 1551 THR A CG2 11883 N N . ALA B 874 ? 1.6294 1.8596 1.2996 0.2157 -0.3683 0.1338 1552 ALA A N 11884 C CA . ALA B 874 ? 1.7294 1.8855 1.2999 0.2231 -0.3742 0.1045 1552 ALA A CA 11885 C C . ALA B 874 ? 1.8375 1.9564 1.3781 0.1921 -0.4258 0.0855 1552 ALA A C 11886 O O . ALA B 874 ? 1.8646 1.9279 1.3604 0.1891 -0.4217 0.0589 1552 ALA A O 11887 C CB . ALA B 874 ? 1.7913 1.9256 1.2847 0.2517 -0.3776 0.1084 1552 ALA A CB 11888 N N . CYS B 875 ? 1.9172 2.0650 1.4841 0.1681 -0.4764 0.1004 1553 CYS A N 11889 C CA . CYS B 875 ? 2.0306 2.1427 1.5731 0.1326 -0.5332 0.0863 1553 CYS A CA 11890 C C . CYS B 875 ? 1.9855 2.1204 1.6048 0.0997 -0.5305 0.0885 1553 CYS A C 11891 O O . CYS B 875 ? 2.0207 2.1310 1.6334 0.0643 -0.5793 0.0820 1553 CYS A O 11892 C CB . CYS B 875 ? 2.1184 2.2592 1.6679 0.1147 -0.5925 0.1064 1553 CYS A CB 11893 S SG . CYS B 875 ? 2.2636 2.3467 1.6849 0.1425 -0.6191 0.0953 1553 CYS A SG 11894 N N . LYS B 876 ? 1.9130 2.0905 1.6004 0.1090 -0.4771 0.0983 1554 LYS A N 11895 C CA . LYS B 876 ? 1.8593 2.0586 1.6137 0.0797 -0.4701 0.1017 1554 LYS A CA 11896 C C . LYS B 876 ? 1.9327 2.0503 1.6230 0.0679 -0.4815 0.0703 1554 LYS A C 11897 O O . LYS B 876 ? 1.9965 2.0595 1.6188 0.0965 -0.4550 0.0474 1554 LYS A O 11898 C CB . LYS B 876 ? 1.7385 1.9853 1.5574 0.0977 -0.4081 0.1136 1554 LYS A CB 11899 C CG . LYS B 876 ? 1.6969 1.9685 1.5803 0.0706 -0.3947 0.1186 1554 LYS A CG 11900 C CD . LYS B 876 ? 1.6844 2.0316 1.6539 0.0420 -0.4201 0.1489 1554 LYS A CD 11901 C CE . LYS B 876 ? 1.6276 2.0051 1.6602 0.0177 -0.3996 0.1573 1554 LYS A CE 11902 N NZ . LYS B 876 ? 1.5957 2.0595 1.7208 -0.0071 -0.4166 0.1918 1554 LYS A NZ 11903 N N . PRO B 877 ? 1.9442 2.0516 1.6552 0.0270 -0.5208 0.0704 1555 PRO A N 11904 C CA . PRO B 877 ? 1.9463 1.9685 1.5956 0.0171 -0.5334 0.0409 1555 PRO A CA 11905 C C . PRO B 877 ? 1.8255 1.8378 1.4854 0.0343 -0.4779 0.0312 1555 PRO A C 11906 O O . PRO B 877 ? 1.8239 1.7618 1.4198 0.0430 -0.4771 0.0045 1555 PRO A O 11907 C CB . PRO B 877 ? 1.9699 2.0014 1.6641 -0.0357 -0.5843 0.0537 1555 PRO A CB 11908 C CG . PRO B 877 ? 1.9848 2.0886 1.7323 -0.0500 -0.6145 0.0838 1555 PRO A CG 11909 C CD . PRO B 877 ? 1.9389 2.1090 1.7271 -0.0121 -0.5604 0.0994 1555 PRO A CD 11910 N N . GLU B 878 ? 1.7465 1.8292 1.4830 0.0406 -0.4329 0.0520 1556 GLU A N 11911 C CA . GLU B 878 ? 1.7230 1.7966 1.4673 0.0558 -0.3828 0.0441 1556 GLU A CA 11912 C C . GLU B 878 ? 1.6950 1.7338 1.3773 0.0989 -0.3503 0.0279 1556 GLU A C 11913 O O . GLU B 878 ? 1.6541 1.6522 1.3074 0.1117 -0.3269 0.0116 1556 GLU A O 11914 C CB . GLU B 878 ? 1.7027 1.8547 1.5366 0.0512 -0.3463 0.0696 1556 GLU A CB 11915 C CG . GLU B 878 ? 1.7491 1.9335 1.6455 0.0108 -0.3610 0.0852 1556 GLU A CG 11916 C CD . GLU B 878 ? 1.7236 1.9790 1.6958 0.0135 -0.3175 0.1069 1556 GLU A CD 11917 O OE1 . GLU B 878 ? 1.7047 2.0007 1.6981 0.0396 -0.2933 0.1175 1556 GLU A OE1 11918 O OE2 . GLU B 878 ? 1.7133 1.9796 1.7191 -0.0092 -0.3076 0.1131 1556 GLU A OE2 11919 N N . ILE B 879 ? 1.7283 1.7864 1.3931 0.1214 -0.3486 0.0353 1557 ILE A N 11920 C CA . ILE B 879 ? 1.7591 1.7957 1.3723 0.1612 -0.3151 0.0271 1557 ILE A CA 11921 C C . ILE B 879 ? 1.8584 1.8167 1.3740 0.1743 -0.3361 -0.0010 1557 ILE A C 11922 O O . ILE B 879 ? 1.9411 1.8727 1.4058 0.1706 -0.3777 -0.0077 1557 ILE A O 11923 C CB . ILE B 879 ? 1.7724 1.8526 1.3963 0.1795 -0.3090 0.0472 1557 ILE A CB 11924 C CG1 . ILE B 879 ? 1.7025 1.8551 1.4211 0.1698 -0.2896 0.0734 1557 ILE A CG1 11925 C CG2 . ILE B 879 ? 1.7835 1.8448 1.3583 0.2174 -0.2720 0.0436 1557 ILE A CG2 11926 C CD1 . ILE B 879 ? 1.6418 1.8033 1.3977 0.1738 -0.2427 0.0734 1557 ILE A CD1 11927 N N . ALA B 880 ? 1.8518 1.7720 1.3392 0.1914 -0.3075 -0.0172 1558 ALA A N 11928 C CA . ALA B 880 ? 1.8923 1.7356 1.2864 0.2105 -0.3209 -0.0454 1558 ALA A CA 11929 C C . ALA B 880 ? 1.8744 1.7078 1.2006 0.2487 -0.3063 -0.0477 1558 ALA A C 11930 O O . ALA B 880 ? 1.9299 1.7200 1.1804 0.2546 -0.3407 -0.0615 1558 ALA A O 11931 C CB . ALA B 880 ? 1.8802 1.6941 1.2749 0.2199 -0.2928 -0.0580 1558 ALA A CB 11932 N N . TYR B 881 ? 1.7959 1.6665 1.1448 0.2733 -0.2569 -0.0330 1559 TYR A N 11933 C CA . TYR B 881 ? 1.7797 1.6461 1.0683 0.3094 -0.2367 -0.0300 1559 TYR A CA 11934 C C . TYR B 881 ? 1.7137 1.6418 1.0487 0.3088 -0.2258 -0.0001 1559 TYR A C 11935 O O . TYR B 881 ? 1.6905 1.6666 1.1090 0.2887 -0.2187 0.0176 1559 TYR A O 11936 C CB . TYR B 881 ? 1.7369 1.5941 1.0089 0.3411 -0.1879 -0.0336 1559 TYR A CB 11937 C CG . TYR B 881 ? 1.6077 1.5220 0.9620 0.3385 -0.1454 -0.0090 1559 TYR A CG 11938 C CD1 . TYR B 881 ? 1.5015 1.4280 0.9216 0.3158 -0.1389 -0.0085 1559 TYR A CD1 11939 C CD2 . TYR B 881 ? 1.5799 1.5305 0.9410 0.3575 -0.1140 0.0141 1559 TYR A CD2 11940 C CE1 . TYR B 881 ? 1.4075 1.3776 0.8935 0.3123 -0.1040 0.0118 1559 TYR A CE1 11941 C CE2 . TYR B 881 ? 1.4864 1.4795 0.9175 0.3526 -0.0799 0.0356 1559 TYR A CE2 11942 C CZ . TYR B 881 ? 1.4121 1.4129 0.9030 0.3302 -0.0758 0.0329 1559 TYR A CZ 11943 O OH . TYR B 881 ? 1.3786 1.4136 0.9302 0.3245 -0.0456 0.0521 1559 TYR A OH 11944 N N . ALA B 882 ? 1.7076 1.6304 0.9827 0.3338 -0.2236 0.0055 1560 ALA A N 11945 C CA . ALA B 882 ? 1.6515 1.6244 0.9592 0.3377 -0.2154 0.0350 1560 ALA A CA 11946 C C . ALA B 882 ? 1.6753 1.6318 0.9009 0.3707 -0.2038 0.0396 1560 ALA A C 11947 O O . ALA B 882 ? 1.7891 1.7077 0.9354 0.3761 -0.2382 0.0261 1560 ALA A O 11948 C CB . ALA B 882 ? 1.6820 1.6789 1.0250 0.3103 -0.2619 0.0440 1560 ALA A CB 11949 N N . TYR B 883 ? 1.5976 1.5799 0.8374 0.3916 -0.1572 0.0596 1561 TYR A N 11950 C CA . TYR B 883 ? 1.6637 1.6368 0.8281 0.4227 -0.1417 0.0695 1561 TYR A CA 11951 C C . TYR B 883 ? 1.5810 1.5986 0.7939 0.4329 -0.0976 0.1034 1561 TYR A C 11952 O O . TYR B 883 ? 1.4744 1.5223 0.7719 0.4172 -0.0802 0.1150 1561 TYR A O 11953 C CB . TYR B 883 ? 1.7633 1.6862 0.8391 0.4490 -0.1293 0.0436 1561 TYR A CB 11954 C CG . TYR B 883 ? 1.7115 1.6302 0.8220 0.4520 -0.0977 0.0321 1561 TYR A CG 11955 C CD1 . TYR B 883 ? 1.6540 1.6105 0.8105 0.4636 -0.0480 0.0547 1561 TYR A CD1 11956 C CD2 . TYR B 883 ? 1.7131 1.5876 0.8085 0.4425 -0.1205 0.0004 1561 TYR A CD2 11957 C CE1 . TYR B 883 ? 1.6012 1.5569 0.7911 0.4658 -0.0225 0.0467 1561 TYR A CE1 11958 C CE2 . TYR B 883 ? 1.6521 1.5224 0.7787 0.4468 -0.0936 -0.0081 1561 TYR A CE2 11959 C CZ . TYR B 883 ? 1.6155 1.5289 0.7902 0.4588 -0.0449 0.0154 1561 TYR A CZ 11960 O OH . TYR B 883 ? 1.6266 1.5399 0.8357 0.4623 -0.0211 0.0099 1561 TYR A OH 11961 N N . LYS B 884 ? 1.6410 1.6581 0.7937 0.4586 -0.0810 0.1196 1562 LYS A N 11962 C CA . LYS B 884 ? 1.5803 1.6342 0.7666 0.4675 -0.0455 0.1566 1562 LYS A CA 11963 C C . LYS B 884 ? 1.6059 1.6609 0.7666 0.4909 0.0022 0.1624 1562 LYS A C 11964 O O . LYS B 884 ? 1.6053 1.6327 0.6806 0.5158 0.0077 0.1477 1562 LYS A O 11965 C CB . LYS B 884 ? 1.6060 1.6651 0.7486 0.4770 -0.0639 0.1788 1562 LYS A CB 11966 C CG . LYS B 884 ? 1.5913 1.6766 0.7409 0.4915 -0.0271 0.2182 1562 LYS A CG 11967 C CD . LYS B 884 ? 1.6663 1.7347 0.7103 0.5204 -0.0184 0.2248 1562 LYS A CD 11968 C CE . LYS B 884 ? 1.6769 1.7715 0.7246 0.5293 0.0026 0.2702 1562 LYS A CE 11969 N NZ . LYS B 884 ? 1.6694 1.7736 0.7456 0.5167 -0.0342 0.2874 1562 LYS A NZ 11970 N N . VAL B 885 ? 1.5469 1.6336 0.7807 0.4836 0.0362 0.1846 1563 VAL A N 11971 C CA . VAL B 885 ? 1.5393 1.6387 0.7723 0.5003 0.0810 0.1949 1563 VAL A CA 11972 C C . VAL B 885 ? 1.4314 1.5666 0.7042 0.4991 0.1106 0.2391 1563 VAL A C 11973 O O . VAL B 885 ? 1.4100 1.5539 0.7145 0.4856 0.0967 0.2583 1563 VAL A O 11974 C CB . VAL B 885 ? 1.4678 1.5666 0.7565 0.4873 0.0899 0.1762 1563 VAL A CB 11975 C CG1 . VAL B 885 ? 1.4317 1.4889 0.6752 0.4900 0.0621 0.1347 1563 VAL A CG1 11976 C CG2 . VAL B 885 ? 1.3090 1.4255 0.6890 0.4551 0.0820 0.1851 1563 VAL A CG2 11977 N N . SER B 886 ? 1.4392 1.5949 0.7119 0.5139 0.1516 0.2569 1564 SER A N 11978 C CA . SER B 886 ? 1.4227 1.6127 0.7382 0.5091 0.1818 0.3019 1564 SER A CA 11979 C C . SER B 886 ? 1.3857 1.5995 0.7625 0.5017 0.2112 0.3088 1564 SER A C 11980 O O . SER B 886 ? 1.4392 1.6575 0.7897 0.5226 0.2312 0.2970 1564 SER A O 11981 C CB . SER B 886 ? 1.5024 1.7040 0.7475 0.5364 0.2037 0.3292 1564 SER A CB 11982 O OG . SER B 886 ? 1.4819 1.7188 0.7726 0.5295 0.2351 0.3760 1564 SER A OG 11983 N N . ILE B 887 ? 1.3053 1.5320 0.7611 0.4737 0.2127 0.3281 1565 ILE A N 11984 C CA . ILE B 887 ? 1.2551 1.5016 0.7750 0.4599 0.2319 0.3342 1565 ILE A CA 11985 C C . ILE B 887 ? 1.2802 1.5676 0.8067 0.4718 0.2717 0.3750 1565 ILE A C 11986 O O . ILE B 887 ? 1.5385 1.8391 1.0579 0.4719 0.2822 0.4114 1565 ILE A O 11987 C CB . ILE B 887 ? 1.3422 1.5802 0.9347 0.4248 0.2160 0.3386 1565 ILE A CB 11988 C CG1 . ILE B 887 ? 1.1670 1.3741 0.7565 0.4154 0.1813 0.3006 1565 ILE A CG1 11989 C CG2 . ILE B 887 ? 1.1458 1.4021 0.8006 0.4075 0.2313 0.3470 1565 ILE A CG2 11990 C CD1 . ILE B 887 ? 1.1125 1.3094 0.7641 0.3865 0.1693 0.3009 1565 ILE A CD1 11991 N N . THR B 888 ? 1.3527 1.6630 0.8968 0.4818 0.2940 0.3724 1566 THR A N 11992 C CA . THR B 888 ? 1.3807 1.7410 0.9407 0.4945 0.3348 0.4135 1566 THR A CA 11993 C C . THR B 888 ? 1.3447 1.7366 0.9980 0.4653 0.3441 0.4398 1566 THR A C 11994 O O . THR B 888 ? 1.3687 1.8011 1.0553 0.4583 0.3682 0.4872 1566 THR A O 11995 C CB . THR B 888 ? 1.4134 1.7846 0.9180 0.5370 0.3594 0.3970 1566 THR A CB 11996 O OG1 . THR B 888 ? 1.3827 1.7561 0.9294 0.5347 0.3583 0.3755 1566 THR A OG1 11997 C CG2 . THR B 888 ? 1.4716 1.7951 0.8794 0.5612 0.3387 0.3586 1566 THR A CG2 11998 N N . SER B 889 ? 1.3287 1.7032 1.0241 0.4459 0.3240 0.4128 1567 SER A N 11999 C CA . SER B 889 ? 1.2864 1.6883 1.0650 0.4175 0.3290 0.4365 1567 SER A CA 12000 C C . SER B 889 ? 1.2031 1.5660 1.0151 0.3864 0.2950 0.4065 1567 SER A C 12001 O O . SER B 889 ? 1.1788 1.5060 0.9571 0.3931 0.2744 0.3645 1567 SER A O 12002 C CB . SER B 889 ? 1.3292 1.7771 1.1282 0.4397 0.3576 0.4454 1567 SER A CB 12003 O OG . SER B 889 ? 1.4410 1.9320 1.2124 0.4699 0.3948 0.4776 1567 SER A OG 12004 N N . ILE B 890 ? 1.1763 1.5451 1.0524 0.3509 0.2886 0.4301 1568 ILE A N 12005 C CA . ILE B 890 ? 1.1026 1.4372 1.0108 0.3205 0.2603 0.4062 1568 ILE A CA 12006 C C . ILE B 890 ? 1.0655 1.4302 1.0293 0.3081 0.2654 0.4171 1568 ILE A C 12007 O O . ILE B 890 ? 1.1088 1.5217 1.1094 0.3078 0.2868 0.4570 1568 ILE A O 12008 C CB . ILE B 890 ? 1.0678 1.3709 0.9963 0.2889 0.2432 0.4199 1568 ILE A CB 12009 C CG1 . ILE B 890 ? 1.0909 1.3847 0.9794 0.3029 0.2476 0.4338 1568 ILE A CG1 12010 C CG2 . ILE B 890 ? 0.9647 1.2216 0.8942 0.2713 0.2152 0.3823 1568 ILE A CG2 12011 C CD1 . ILE B 890 ? 1.0406 1.3054 0.8751 0.3230 0.2328 0.3963 1568 ILE A CD1 12012 N N . THR B 891 ? 1.0286 1.3685 1.0015 0.2970 0.2449 0.3848 1569 THR A N 12013 C CA . THR B 891 ? 1.0246 1.3893 1.0501 0.2835 0.2440 0.3941 1569 THR A CA 12014 C C . THR B 891 ? 1.0733 1.3947 1.1096 0.2541 0.2132 0.3659 1569 THR A C 12015 O O . THR B 891 ? 1.1021 1.3846 1.0997 0.2586 0.1986 0.3298 1569 THR A O 12016 C CB . THR B 891 ? 0.9929 1.3876 1.0072 0.3203 0.2625 0.3851 1569 THR A CB 12017 O OG1 . THR B 891 ? 1.0357 1.4633 1.0214 0.3539 0.2934 0.4050 1569 THR A OG1 12018 C CG2 . THR B 891 ? 0.9192 1.3530 0.9989 0.3090 0.2651 0.4068 1569 THR A CG2 12019 N N . VAL B 892 ? 1.0935 1.4237 1.1819 0.2233 0.2029 0.3845 1570 VAL A N 12020 C CA . VAL B 892 ? 1.0993 1.3893 1.1950 0.1942 0.1748 0.3613 1570 VAL A CA 12021 C C . VAL B 892 ? 1.1475 1.4637 1.2780 0.1929 0.1711 0.3634 1570 VAL A C 12022 O O . VAL B 892 ? 1.1686 1.5256 1.3511 0.1809 0.1754 0.3989 1570 VAL A O 12023 C CB . VAL B 892 ? 1.0617 1.3238 1.1778 0.1553 0.1586 0.3783 1570 VAL A CB 12024 C CG1 . VAL B 892 ? 1.0486 1.2671 1.1619 0.1287 0.1317 0.3522 1570 VAL A CG1 12025 C CG2 . VAL B 892 ? 1.0644 1.2991 1.1479 0.1607 0.1626 0.3785 1570 VAL A CG2 12026 N N . GLU B 893 ? 1.1785 1.4727 1.2840 0.2040 0.1612 0.3283 1571 GLU A N 12027 C CA . GLU B 893 ? 1.2367 1.5490 1.3690 0.2074 0.1559 0.3271 1571 GLU A CA 12028 C C . GLU B 893 ? 1.2552 1.5240 1.3822 0.1778 0.1265 0.3033 1571 GLU A C 12029 O O . GLU B 893 ? 1.2844 1.5167 1.3704 0.1833 0.1177 0.2694 1571 GLU A O 12030 C CB . GLU B 893 ? 1.3286 1.6498 1.4306 0.2511 0.1712 0.3085 1571 GLU A CB 12031 C CG . GLU B 893 ? 1.4513 1.8268 1.5675 0.2843 0.2035 0.3369 1571 GLU A CG 12032 C CD . GLU B 893 ? 1.5632 1.9298 1.6264 0.3307 0.2185 0.3115 1571 GLU A CD 12033 O OE1 . GLU B 893 ? 1.6374 1.9983 1.6555 0.3501 0.2323 0.3069 1571 GLU A OE1 12034 O OE2 . GLU B 893 ? 1.6032 1.9631 1.6657 0.3476 0.2139 0.2958 1571 GLU A OE2 12035 N N . ASN B 894 ? 1.2337 1.5078 1.4014 0.1453 0.1104 0.3232 1572 ASN A N 12036 C CA . ASN B 894 ? 1.1634 1.3989 1.3244 0.1166 0.0828 0.3048 1572 ASN A CA 12037 C C . ASN B 894 ? 1.0599 1.2417 1.1748 0.1034 0.0742 0.2772 1572 ASN A C 12038 O O . ASN B 894 ? 1.0476 1.2086 1.1612 0.0820 0.0693 0.2862 1572 ASN A O 12039 C CB . ASN B 894 ? 1.1779 1.4144 1.3334 0.1340 0.0777 0.2865 1572 ASN A CB 12040 C CG . ASN B 894 ? 1.1800 1.3960 1.3471 0.1030 0.0499 0.2840 1572 ASN A CG 12041 O OD1 . ASN B 894 ? 1.2212 1.4382 1.4145 0.0712 0.0351 0.3046 1572 ASN A OD1 12042 N ND2 . ASN B 894 ? 1.1205 1.3147 1.2651 0.1102 0.0401 0.2599 1572 ASN A ND2 12043 N N . VAL B 895 ? 0.9789 1.1377 1.0572 0.1166 0.0720 0.2451 1573 VAL A N 12044 C CA . VAL B 895 ? 0.9130 1.0297 0.9536 0.1069 0.0654 0.2199 1573 VAL A CA 12045 C C . VAL B 895 ? 0.8872 1.0048 0.8996 0.1335 0.0795 0.2069 1573 VAL A C 12046 O O . VAL B 895 ? 0.8813 0.9727 0.8678 0.1302 0.0758 0.1878 1573 VAL A O 12047 C CB . VAL B 895 ? 0.8491 0.9404 0.8731 0.0939 0.0484 0.1972 1573 VAL A CB 12048 C CG1 . VAL B 895 ? 0.8677 0.9190 0.8653 0.0726 0.0406 0.1823 1573 VAL A CG1 12049 C CG2 . VAL B 895 ? 0.8820 0.9854 0.9355 0.0798 0.0348 0.2116 1573 VAL A CG2 12050 N N . PHE B 896 ? 0.8485 0.9968 0.8639 0.1609 0.0955 0.2175 1574 PHE A N 12051 C CA . PHE B 896 ? 0.8546 1.0019 0.8367 0.1864 0.1050 0.2047 1574 PHE A CA 12052 C C . PHE B 896 ? 0.8533 1.0265 0.8410 0.2013 0.1242 0.2305 1574 PHE A C 12053 O O . PHE B 896 ? 0.8146 1.0141 0.8362 0.1954 0.1325 0.2593 1574 PHE A O 12054 C CB . PHE B 896 ? 0.8051 0.9533 0.7651 0.2097 0.1032 0.1849 1574 PHE A CB 12055 C CG . PHE B 896 ? 0.7953 0.9168 0.7474 0.1941 0.0834 0.1618 1574 PHE A CG 12056 C CD1 . PHE B 896 ? 0.8484 0.9478 0.7778 0.1861 0.0734 0.1419 1574 PHE A CD1 12057 C CD2 . PHE B 896 ? 0.7910 0.9132 0.7617 0.1871 0.0750 0.1633 1574 PHE A CD2 12058 C CE1 . PHE B 896 ? 0.8436 0.9232 0.7679 0.1698 0.0571 0.1249 1574 PHE A CE1 12059 C CE2 . PHE B 896 ? 0.7864 0.8831 0.7479 0.1711 0.0565 0.1453 1574 PHE A CE2 12060 C CZ . PHE B 896 ? 0.7842 0.8601 0.7219 0.1616 0.0484 0.1265 1574 PHE A CZ 12061 N N . VAL B 897 ? 0.8479 1.0156 0.8035 0.2193 0.1298 0.2229 1575 VAL A N 12062 C CA . VAL B 897 ? 0.8712 1.0608 0.8214 0.2363 0.1481 0.2464 1575 VAL A CA 12063 C C . VAL B 897 ? 0.8745 1.0721 0.7835 0.2705 0.1559 0.2329 1575 VAL A C 12064 O O . VAL B 897 ? 0.8786 1.0531 0.7557 0.2759 0.1421 0.2057 1575 VAL A O 12065 C CB . VAL B 897 ? 0.8838 1.0530 0.8280 0.2258 0.1450 0.2531 1575 VAL A CB 12066 C CG1 . VAL B 897 ? 0.9163 1.1067 0.8509 0.2434 0.1626 0.2798 1575 VAL A CG1 12067 C CG2 . VAL B 897 ? 0.8451 0.9947 0.8198 0.1931 0.1356 0.2637 1575 VAL A CG2 12068 N N . LYS B 898 ? 0.9265 1.1564 0.8350 0.2931 0.1773 0.2527 1576 LYS A N 12069 C CA . LYS B 898 ? 0.9948 1.2283 0.8543 0.3295 0.1877 0.2412 1576 LYS A CA 12070 C C . LYS B 898 ? 0.9594 1.2081 0.7958 0.3439 0.2041 0.2635 1576 LYS A C 12071 O O . LYS B 898 ? 0.9584 1.2358 0.8271 0.3364 0.2205 0.2990 1576 LYS A O 12072 C CB . LYS B 898 ? 0.9443 1.2023 0.8115 0.3525 0.2041 0.2456 1576 LYS A CB 12073 C CG . LYS B 898 ? 0.9218 1.1638 0.8099 0.3412 0.1872 0.2263 1576 LYS A CG 12074 C CD . LYS B 898 ? 1.0069 1.2598 0.8824 0.3762 0.2011 0.2211 1576 LYS A CD 12075 C CE . LYS B 898 ? 1.0368 1.2724 0.9352 0.3653 0.1827 0.2056 1576 LYS A CE 12076 N NZ . LYS B 898 ? 1.1111 1.3504 0.9942 0.4045 0.1957 0.1988 1576 LYS A NZ 12077 N N . TYR B 899 ? 0.9901 1.2189 0.7707 0.3624 0.1970 0.2446 1577 TYR A N 12078 C CA . TYR B 899 ? 1.0819 1.3203 0.8283 0.3791 0.2092 0.2631 1577 TYR A CA 12079 C C . TYR B 899 ? 1.1425 1.3841 0.8287 0.4179 0.2228 0.2528 1577 TYR A C 12080 O O . TYR B 899 ? 1.1058 1.3152 0.7462 0.4292 0.2043 0.2187 1577 TYR A O 12081 C CB . TYR B 899 ? 1.0255 1.2368 0.7535 0.3686 0.1861 0.2516 1577 TYR A CB 12082 C CG . TYR B 899 ? 1.1019 1.3040 0.8794 0.3367 0.1758 0.2604 1577 TYR A CG 12083 C CD1 . TYR B 899 ? 1.0902 1.3013 0.8904 0.3270 0.1865 0.2941 1577 TYR A CD1 12084 C CD2 . TYR B 899 ? 0.9496 1.1297 0.7464 0.3168 0.1556 0.2352 1577 TYR A CD2 12085 C CE1 . TYR B 899 ? 1.0577 1.2492 0.8942 0.3002 0.1760 0.2992 1577 TYR A CE1 12086 C CE2 . TYR B 899 ? 0.9727 1.1391 0.8051 0.2917 0.1484 0.2408 1577 TYR A CE2 12087 C CZ . TYR B 899 ? 1.0082 1.1768 0.8580 0.2845 0.1580 0.2710 1577 TYR A CZ 12088 O OH . TYR B 899 ? 1.0051 1.1492 0.8815 0.2618 0.1496 0.2735 1577 TYR A OH 12089 N N . LYS B 900 ? 1.1821 1.4606 0.8664 0.4382 0.2549 0.2829 1578 LYS A N 12090 C CA . LYS B 900 ? 1.2778 1.5581 0.8935 0.4800 0.2732 0.2762 1578 LYS A CA 12091 C C . LYS B 900 ? 1.2643 1.5305 0.8221 0.4883 0.2669 0.2801 1578 LYS A C 12092 O O . LYS B 900 ? 1.2848 1.5732 0.8626 0.4775 0.2771 0.3150 1578 LYS A O 12093 C CB . LYS B 900 ? 1.3354 1.6688 0.9744 0.5008 0.3144 0.3109 1578 LYS A CB 12094 C CG . LYS B 900 ? 1.3150 1.6729 1.0247 0.4898 0.3199 0.3170 1578 LYS A CG 12095 C CD . LYS B 900 ? 1.3829 1.8054 1.1247 0.5098 0.3618 0.3591 1578 LYS A CD 12096 C CE . LYS B 900 ? 1.3737 1.8292 1.1986 0.4935 0.3639 0.3738 1578 LYS A CE 12097 N NZ . LYS B 900 ? 1.4106 1.9403 1.2792 0.5102 0.4045 0.4219 1578 LYS A NZ 12098 N N . ALA B 901 ? 1.2678 1.4943 0.7539 0.5056 0.2468 0.2456 1579 ALA A N 12099 C CA . ALA B 901 ? 1.3140 1.5237 0.7401 0.5132 0.2336 0.2462 1579 ALA A CA 12100 C C . ALA B 901 ? 1.4041 1.5915 0.7334 0.5533 0.2396 0.2262 1579 ALA A C 12101 O O . ALA B 901 ? 1.6198 1.7923 0.9267 0.5738 0.2465 0.2027 1579 ALA A O 12102 C CB . ALA B 901 ? 1.2834 1.4613 0.7185 0.4865 0.1909 0.2238 1579 ALA A CB 12103 N N . THR B 902 ? 1.4607 1.6409 0.7279 0.5655 0.2356 0.2355 1580 THR A N 12104 C CA . THR B 902 ? 1.5611 1.7112 0.7206 0.6025 0.2363 0.2154 1580 THR A CA 12105 C C . THR B 902 ? 1.5872 1.6863 0.6985 0.5908 0.1850 0.1821 1580 THR A C 12106 O O . THR B 902 ? 1.5567 1.6605 0.6940 0.5664 0.1608 0.1942 1580 THR A O 12107 C CB . THR B 902 ? 1.6452 1.8237 0.7587 0.6255 0.2676 0.2522 1580 THR A CB 12108 O OG1 . THR B 902 ? 1.6166 1.8507 0.7856 0.6321 0.3147 0.2892 1580 THR A OG1 12109 C CG2 . THR B 902 ? 1.7368 1.8787 0.7269 0.6669 0.2701 0.2288 1580 THR A CG2 12110 N N . LEU B 903 ? 1.6479 1.6979 0.6911 0.6084 0.1672 0.1417 1581 LEU A N 12111 C CA . LEU B 903 ? 1.7328 1.7330 0.7277 0.5951 0.1144 0.1106 1581 LEU A CA 12112 C C . LEU B 903 ? 1.7772 1.7621 0.6763 0.6154 0.1066 0.1172 1581 LEU A C 12113 O O . LEU B 903 ? 1.8734 1.8328 0.6787 0.6527 0.1237 0.1056 1581 LEU A O 12114 C CB . LEU B 903 ? 1.7684 1.7137 0.7233 0.6034 0.0947 0.0661 1581 LEU A CB 12115 C CG . LEU B 903 ? 1.7421 1.6499 0.7102 0.5692 0.0385 0.0383 1581 LEU A CG 12116 C CD1 . LEU B 903 ? 1.8080 1.6546 0.7264 0.5811 0.0224 -0.0027 1581 LEU A CD1 12117 C CD2 . LEU B 903 ? 1.7527 1.6446 0.6717 0.5587 -0.0019 0.0383 1581 LEU A CD2 12118 N N . LEU B 904 ? 1.7562 1.7543 0.6746 0.5929 0.0804 0.1355 1582 LEU A N 12119 C CA . LEU B 904 ? 2.0478 2.0369 0.8819 0.6092 0.0716 0.1487 1582 LEU A CA 12120 C C . LEU B 904 ? 2.1039 2.0347 0.8547 0.6069 0.0168 0.1134 1582 LEU A C 12121 O O . LEU B 904 ? 2.2038 2.0883 0.8464 0.6362 0.0160 0.0889 1582 LEU A O 12122 C CB . LEU B 904 ? 1.7875 1.8197 0.6832 0.5893 0.0707 0.1907 1582 LEU A CB 12123 C CG . LEU B 904 ? 1.7793 1.8569 0.6945 0.6029 0.1218 0.2360 1582 LEU A CG 12124 C CD1 . LEU B 904 ? 1.7735 1.8726 0.7230 0.6153 0.1680 0.2371 1582 LEU A CD1 12125 C CD2 . LEU B 904 ? 1.7025 1.8135 0.7072 0.5749 0.1171 0.2711 1582 LEU A CD2 12126 N N . ASP B 905 ? 2.0400 1.9721 0.8385 0.5730 -0.0296 0.1113 1583 ASP A N 12127 C CA . ASP B 905 ? 2.1200 2.0041 0.8547 0.5625 -0.0886 0.0836 1583 ASP A CA 12128 C C . ASP B 905 ? 2.0493 1.9186 0.8458 0.5315 -0.1203 0.0567 1583 ASP A C 12129 O O . ASP B 905 ? 1.9227 1.8338 0.8269 0.5046 -0.1191 0.0719 1583 ASP A O 12130 C CB . ASP B 905 ? 2.1979 2.1028 0.9351 0.5491 -0.1211 0.1100 1583 ASP A CB 12131 C CG . ASP B 905 ? 2.3072 2.2204 0.9711 0.5784 -0.0958 0.1378 1583 ASP A CG 12132 O OD1 . ASP B 905 ? 2.2996 2.2388 0.9737 0.5988 -0.0402 0.1574 1583 ASP A OD1 12133 O OD2 . ASP B 905 ? 2.4296 2.3257 1.0304 0.5781 -0.1321 0.1421 1583 ASP A OD2 12134 N N . ILE B 906 ? 2.1203 1.9266 0.8443 0.5355 -0.1485 0.0175 1584 ILE A N 12135 C CA . ILE B 906 ? 2.0525 1.8368 0.8235 0.5050 -0.1823 -0.0077 1584 ILE A CA 12136 C C . ILE B 906 ? 2.0615 1.8418 0.8394 0.4718 -0.2458 -0.0077 1584 ILE A C 12137 O O . ILE B 906 ? 2.1961 1.9406 0.8824 0.4787 -0.2803 -0.0149 1584 ILE A O 12138 C CB . ILE B 906 ? 2.1000 1.8116 0.7902 0.5246 -0.1851 -0.0487 1584 ILE A CB 12139 C CG1 . ILE B 906 ? 2.0125 1.7353 0.6907 0.5645 -0.1202 -0.0445 1584 ILE A CG1 12140 C CG2 . ILE B 906 ? 1.9702 1.6616 0.7182 0.4910 -0.2160 -0.0696 1584 ILE A CG2 12141 C CD1 . ILE B 906 ? 2.1006 1.7521 0.6985 0.5921 -0.1176 -0.0837 1584 ILE A CD1 12142 N N . TYR B 907 ? 1.9184 1.7375 0.8044 0.4359 -0.2614 0.0021 1585 TYR A N 12143 C CA . TYR B 907 ? 1.9263 1.7552 0.8388 0.4026 -0.3195 0.0071 1585 TYR A CA 12144 C C . TYR B 907 ? 1.9473 1.7474 0.8856 0.3695 -0.3592 -0.0171 1585 TYR A C 12145 O O . TYR B 907 ? 1.9885 1.7802 0.9220 0.3425 -0.4162 -0.0187 1585 TYR A O 12146 C CB . TYR B 907 ? 1.8268 1.7337 0.8475 0.3885 -0.3082 0.0454 1585 TYR A CB 12147 C CG . TYR B 907 ? 1.8358 1.7704 0.8371 0.4152 -0.2780 0.0748 1585 TYR A CG 12148 C CD1 . TYR B 907 ? 1.9515 1.8520 0.8422 0.4386 -0.2889 0.0728 1585 TYR A CD1 12149 C CD2 . TYR B 907 ? 1.7242 1.7142 0.8129 0.4165 -0.2395 0.1052 1585 TYR A CD2 12150 C CE1 . TYR B 907 ? 1.9558 1.8822 0.8282 0.4614 -0.2612 0.1036 1585 TYR A CE1 12151 C CE2 . TYR B 907 ? 1.7300 1.7409 0.8021 0.4383 -0.2141 0.1348 1585 TYR A CE2 12152 C CZ . TYR B 907 ? 1.8495 1.8313 0.8157 0.4601 -0.2244 0.1355 1585 TYR A CZ 12153 O OH . TYR B 907 ? 1.8817 1.8850 0.8310 0.4802 -0.1990 0.1687 1585 TYR A OH 12154 N N . LYS B 908 ? 1.9583 1.7446 0.9258 0.3691 -0.3330 -0.0328 1586 LYS A N 12155 C CA . LYS B 908 ? 2.0338 1.7889 1.0237 0.3371 -0.3695 -0.0534 1586 LYS A CA 12156 C C . LYS B 908 ? 2.1522 1.8665 1.1243 0.3538 -0.3376 -0.0767 1586 LYS A C 12157 O O . LYS B 908 ? 2.1266 1.8701 1.1269 0.3771 -0.2827 -0.0664 1586 LYS A O 12158 C CB . LYS B 908 ? 1.8939 1.7161 1.0083 0.2991 -0.3785 -0.0297 1586 LYS A CB 12159 C CG . LYS B 908 ? 1.8724 1.6698 1.0126 0.2599 -0.4229 -0.0440 1586 LYS A CG 12160 C CD . LYS B 908 ? 1.7545 1.6276 1.0167 0.2262 -0.4264 -0.0166 1586 LYS A CD 12161 C CE . LYS B 908 ? 1.7527 1.6068 1.0414 0.1836 -0.4734 -0.0250 1586 LYS A CE 12162 N NZ . LYS B 908 ? 1.6561 1.5909 1.0630 0.1530 -0.4741 0.0045 1586 LYS A NZ 12163 N N . THR B 909 ? 2.3281 1.9735 1.2546 0.3409 -0.3752 -0.1066 1587 THR A N 12164 C CA . THR B 909 ? 2.4584 2.0589 1.3695 0.3560 -0.3519 -0.1292 1587 THR A CA 12165 C C . THR B 909 ? 2.5834 2.1338 1.5000 0.3183 -0.4044 -0.1480 1587 THR A C 12166 O O . THR B 909 ? 2.7262 2.2016 1.5555 0.3140 -0.4528 -0.1726 1587 THR A O 12167 C CB . THR B 909 ? 2.6053 2.1453 1.4004 0.4061 -0.3298 -0.1526 1587 THR A CB 12168 O OG1 . THR B 909 ? 2.5950 2.1908 1.3977 0.4376 -0.2770 -0.1288 1587 THR A OG1 12169 C CG2 . THR B 909 ? 2.6229 2.1143 1.4053 0.4234 -0.3103 -0.1760 1587 THR A CG2 12170 N N . GLY B 910 ? 2.5674 2.1559 1.5827 0.2896 -0.3963 -0.1355 1588 GLY A N 12171 C CA . GLY B 910 ? 2.6783 2.2252 1.7073 0.2505 -0.4435 -0.1475 1588 GLY A CA 12172 C C . GLY B 910 ? 2.7880 2.2589 1.7698 0.2687 -0.4353 -0.1757 1588 GLY A C 12173 O O . GLY B 910 ? 2.8904 2.2798 1.8148 0.2557 -0.4808 -0.2000 1588 GLY A O 12174 N N . GLU B 911 ? 2.7427 2.2389 1.7510 0.2991 -0.3781 -0.1712 1589 GLU A N 12175 C CA . GLU B 911 ? 2.7958 2.2378 1.7836 0.3181 -0.3628 -0.1908 1589 GLU A CA 12176 C C . GLU B 911 ? 2.8524 2.2574 1.7504 0.3779 -0.3280 -0.2087 1589 GLU A C 12177 O O . GLU B 911 ? 2.9942 2.3594 1.8029 0.3940 -0.3480 -0.2234 1589 GLU A O 12178 C CB . GLU B 911 ? 2.6741 2.1780 1.7683 0.3028 -0.3289 -0.1684 1589 GLU A CB 12179 C CG . GLU B 911 ? 2.7078 2.1633 1.8228 0.2809 -0.3489 -0.1789 1589 GLU A CG 12180 C CD . GLU B 911 ? 2.8482 2.1989 1.8639 0.3124 -0.3643 -0.2139 1589 GLU A CD 12181 O OE1 . GLU B 911 ? 2.8996 2.2358 1.8591 0.3641 -0.3290 -0.2251 1589 GLU A OE1 12182 O OE2 . GLU B 911 ? 2.9225 2.2028 1.9104 0.2863 -0.4134 -0.2298 1589 GLU A OE2 12183 N N . ALA B 912 ? 2.7538 2.1678 1.6668 0.4118 -0.2794 -0.2080 1590 ALA A N 12184 C CA . ALA B 912 ? 2.6839 2.0714 1.5125 0.4717 -0.2430 -0.2216 1590 ALA A CA 12185 C C . ALA B 912 ? 2.5663 2.0087 1.3781 0.4884 -0.2186 -0.2029 1590 ALA A C 12186 O O . ALA B 912 ? 2.4432 1.9627 1.3309 0.4632 -0.2099 -0.1729 1590 ALA A O 12187 C CB . ALA B 912 ? 2.6015 2.0112 1.4682 0.5048 -0.1906 -0.2150 1590 ALA A CB 12188 N N . VAL B 913 ? 2.5552 1.9575 1.2634 0.5382 -0.1999 -0.2193 1591 VAL A N 12189 C CA . VAL B 913 ? 2.5805 2.0259 1.2576 0.5558 -0.1791 -0.2014 1591 VAL A CA 12190 C C . VAL B 913 ? 2.5369 2.0432 1.2432 0.5960 -0.1088 -0.1785 1591 VAL A C 12191 O O . VAL B 913 ? 2.6124 2.1067 1.3245 0.6242 -0.0791 -0.1860 1591 VAL A O 12192 C CB . VAL B 913 ? 2.7004 2.0636 1.2356 0.5787 -0.2105 -0.2313 1591 VAL A CB 12193 C CG1 . VAL B 913 ? 2.8185 2.1207 1.2608 0.6387 -0.1781 -0.2579 1591 VAL A CG1 12194 C CG2 . VAL B 913 ? 2.6972 2.1012 1.2047 0.5799 -0.2095 -0.2107 1591 VAL A CG2 12195 N N . ALA B 914 ? 2.4241 2.0002 1.1580 0.5963 -0.0834 -0.1467 1592 ALA A N 12196 C CA . ALA B 914 ? 2.2930 1.9271 1.0449 0.6328 -0.0198 -0.1206 1592 ALA A CA 12197 C C . ALA B 914 ? 2.2999 1.9299 0.9580 0.6625 -0.0089 -0.1157 1592 ALA A C 12198 O O . ALA B 914 ? 2.3350 1.9467 0.9531 0.6425 -0.0492 -0.1191 1592 ALA A O 12199 C CB . ALA B 914 ? 2.1061 1.8291 0.9861 0.6028 0.0038 -0.0811 1592 ALA A CB 12200 N N . GLU B 915 ? 2.2591 1.9085 0.8823 0.7108 0.0452 -0.1057 1593 GLU A N 12201 C CA . GLU B 915 ? 2.3660 2.0058 0.8863 0.7454 0.0608 -0.1022 1593 GLU A CA 12202 C C . GLU B 915 ? 2.2732 1.9900 0.8443 0.7270 0.0761 -0.0573 1593 GLU A C 12203 O O . GLU B 915 ? 2.1671 1.9538 0.8531 0.7033 0.0973 -0.0247 1593 GLU A O 12204 C CB . GLU B 915 ? 2.4651 2.1085 0.9695 0.7936 0.1134 -0.1003 1593 GLU A CB 12205 C CG . GLU B 915 ? 2.5604 2.1380 1.0405 0.8144 0.1065 -0.1371 1593 GLU A CG 12206 C CD . GLU B 915 ? 2.6696 2.2544 1.1341 0.8651 0.1571 -0.1316 1593 GLU A CD 12207 O OE1 . GLU B 915 ? 2.7730 2.3524 1.1768 0.8876 0.1715 -0.1264 1593 GLU A OE1 12208 O OE2 . GLU B 915 ? 2.6506 2.2490 1.1651 0.8826 0.1821 -0.1308 1593 GLU A OE2 12209 N N . LYS B 916 ? 2.3439 2.0446 0.8471 0.7304 0.0614 -0.0546 1594 LYS A N 12210 C CA . LYS B 916 ? 2.2711 2.0364 0.8078 0.7189 0.0764 -0.0116 1594 LYS A CA 12211 C C . LYS B 916 ? 2.2335 2.0621 0.8111 0.7456 0.1434 0.0239 1594 LYS A C 12212 O O . LYS B 916 ? 2.2715 2.0846 0.8132 0.7809 0.1737 0.0140 1594 LYS A O 12213 C CB . LYS B 916 ? 2.3412 2.0708 0.7980 0.7144 0.0416 -0.0177 1594 LYS A CB 12214 C CG . LYS B 916 ? 2.3216 2.0065 0.7575 0.6790 -0.0296 -0.0405 1594 LYS A CG 12215 C CD . LYS B 916 ? 2.3902 2.0494 0.7558 0.6724 -0.0633 -0.0403 1594 LYS A CD 12216 C CE . LYS B 916 ? 2.3893 2.0147 0.7491 0.6331 -0.1370 -0.0571 1594 LYS A CE 12217 N NZ . LYS B 916 ? 2.4869 2.0887 0.7800 0.6246 -0.1730 -0.0556 1594 LYS A NZ 12218 N N . ASP B 917 ? 2.1404 2.0404 0.7969 0.7275 0.1646 0.0675 1595 ASP A N 12219 C CA . ASP B 917 ? 2.0770 2.0460 0.7921 0.7418 0.2230 0.1092 1595 ASP A CA 12220 C C . ASP B 917 ? 2.0384 2.0252 0.8024 0.7596 0.2576 0.1048 1595 ASP A C 12221 O O . ASP B 917 ? 2.0226 2.0564 0.8196 0.7803 0.3044 0.1321 1595 ASP A O 12222 C CB . ASP B 917 ? 2.1352 2.1056 0.7901 0.7669 0.2447 0.1219 1595 ASP A CB 12223 C CG . ASP B 917 ? 2.1479 2.1114 0.7661 0.7478 0.2140 0.1345 1595 ASP A CG 12224 O OD1 . ASP B 917 ? 2.2153 2.1170 0.7557 0.7446 0.1689 0.1015 1595 ASP A OD1 12225 O OD2 . ASP B 917 ? 2.0903 2.1087 0.7605 0.7339 0.2320 0.1787 1595 ASP A OD2 12226 N N . SER B 918 ? 2.0343 1.9862 0.8066 0.7509 0.2331 0.0731 1596 SER A N 12227 C CA . SER B 918 ? 2.0089 1.9817 0.8476 0.7593 0.2593 0.0720 1596 SER A CA 12228 C C . SER B 918 ? 1.9058 1.9357 0.8788 0.7128 0.2578 0.1021 1596 SER A C 12229 O O . SER B 918 ? 1.8610 1.8976 0.8686 0.6746 0.2289 0.1120 1596 SER A O 12230 C CB . SER B 918 ? 2.0320 1.9287 0.8305 0.7649 0.2258 0.0214 1596 SER A CB 12231 O OG . SER B 918 ? 1.9898 1.8552 0.8156 0.7172 0.1692 0.0038 1596 SER A OG 12232 N N . GLU B 919 ? 1.8868 1.9564 0.9338 0.7179 0.2886 0.1166 1597 GLU A N 12233 C CA . GLU B 919 ? 1.7774 1.8968 0.9447 0.6755 0.2883 0.1449 1597 GLU A CA 12234 C C . GLU B 919 ? 1.7170 1.7974 0.9221 0.6404 0.2438 0.1145 1597 GLU A C 12235 O O . GLU B 919 ? 1.8042 1.8439 0.9877 0.6538 0.2331 0.0832 1597 GLU A O 12236 C CB . GLU B 919 ? 1.7676 1.9486 1.0017 0.6914 0.3350 0.1763 1597 GLU A CB 12237 C CG . GLU B 919 ? 1.7041 1.9352 1.0553 0.6466 0.3343 0.2093 1597 GLU A CG 12238 C CD . GLU B 919 ? 1.7224 2.0257 1.1381 0.6593 0.3804 0.2522 1597 GLU A CD 12239 O OE1 . GLU B 919 ? 1.8252 2.1528 1.1965 0.7030 0.4194 0.2654 1597 GLU A OE1 12240 O OE2 . GLU B 919 ? 1.6414 1.9783 1.1515 0.6254 0.3772 0.2740 1597 GLU A OE2 12241 N N . ILE B 920 ? 1.5993 1.6908 0.8591 0.5969 0.2189 0.1251 1598 ILE A N 12242 C CA . ILE B 920 ? 1.4900 1.5532 0.7892 0.5604 0.1789 0.1021 1598 ILE A CA 12243 C C . ILE B 920 ? 1.3343 1.4424 0.7370 0.5262 0.1871 0.1295 1598 ILE A C 12244 O O . ILE B 920 ? 1.2958 1.4430 0.7308 0.5172 0.2042 0.1631 1598 ILE A O 12245 C CB . ILE B 920 ? 1.5178 1.5469 0.7757 0.5424 0.1371 0.0854 1598 ILE A CB 12246 C CG1 . ILE B 920 ? 1.6121 1.5793 0.7681 0.5677 0.1153 0.0487 1598 ILE A CG1 12247 C CG2 . ILE B 920 ? 1.3627 1.3882 0.6860 0.4991 0.1048 0.0778 1598 ILE A CG2 12248 C CD1 . ILE B 920 ? 1.5864 1.5107 0.7388 0.5702 0.1012 0.0170 1598 ILE A CD1 12249 N N . THR B 921 ? 1.2862 1.3840 0.7359 0.5071 0.1737 0.1157 1599 THR A N 12250 C CA . THR B 921 ? 1.2002 1.3312 0.7391 0.4744 0.1778 0.1371 1599 THR A CA 12251 C C . THR B 921 ? 1.1792 1.2898 0.7433 0.4366 0.1428 0.1233 1599 THR A C 12252 O O . THR B 921 ? 1.2089 1.2807 0.7437 0.4315 0.1138 0.0936 1599 THR A O 12253 C CB . THR B 921 ? 1.1806 1.3203 0.7578 0.4800 0.1896 0.1363 1599 THR A CB 12254 O OG1 . THR B 921 ? 1.2378 1.3971 0.7877 0.5222 0.2236 0.1465 1599 THR A OG1 12255 C CG2 . THR B 921 ? 1.0984 1.2752 0.7617 0.4472 0.1954 0.1635 1599 THR A CG2 12256 N N . PHE B 922 ? 1.1513 1.2874 0.7692 0.4105 0.1458 0.1461 1600 PHE A N 12257 C CA . PHE B 922 ? 1.1299 1.2543 0.7813 0.3771 0.1205 0.1371 1600 PHE A CA 12258 C C . PHE B 922 ? 1.0637 1.2028 0.7804 0.3526 0.1272 0.1490 1600 PHE A C 12259 O O . PHE B 922 ? 1.0631 1.2292 0.8084 0.3558 0.1502 0.1735 1600 PHE A O 12260 C CB . PHE B 922 ? 1.0426 1.1742 0.6919 0.3703 0.1149 0.1504 1600 PHE A CB 12261 C CG . PHE B 922 ? 1.0967 1.2112 0.6831 0.3877 0.0986 0.1375 1600 PHE A CG 12262 C CD1 . PHE B 922 ? 1.1003 1.1924 0.6745 0.3750 0.0653 0.1141 1600 PHE A CD1 12263 C CD2 . PHE B 922 ? 1.1613 1.2833 0.6998 0.4153 0.1152 0.1508 1600 PHE A CD2 12264 C CE1 . PHE B 922 ? 1.1557 1.2307 0.6719 0.3875 0.0446 0.1034 1600 PHE A CE1 12265 C CE2 . PHE B 922 ? 1.2079 1.3096 0.6805 0.4303 0.0966 0.1384 1600 PHE A CE2 12266 C CZ . PHE B 922 ? 1.2115 1.2884 0.6734 0.4155 0.0591 0.1142 1600 PHE A CZ 12267 N N . ILE B 923 ? 1.0172 1.1396 0.7566 0.3269 0.1060 0.1332 1601 ILE A N 12268 C CA . ILE B 923 ? 0.9621 1.0905 0.7530 0.3020 0.1076 0.1406 1601 ILE A CA 12269 C C . ILE B 923 ? 0.9078 1.0261 0.7182 0.2757 0.0925 0.1350 1601 ILE A C 12270 O O . ILE B 923 ? 0.8875 0.9917 0.6814 0.2715 0.0736 0.1162 1601 ILE A O 12271 C CB . ILE B 923 ? 0.9679 1.0837 0.7629 0.3016 0.1004 0.1258 1601 ILE A CB 12272 C CG1 . ILE B 923 ? 1.0322 1.1725 0.8434 0.3194 0.1232 0.1444 1601 ILE A CG1 12273 C CG2 . ILE B 923 ? 0.9949 1.1016 0.8255 0.2690 0.0866 0.1213 1601 ILE A CG2 12274 C CD1 . ILE B 923 ? 1.0404 1.1754 0.8774 0.3122 0.1167 0.1395 1601 ILE A CD1 12275 N N . LYS B 924 ? 0.9169 1.0420 0.7619 0.2584 0.1006 0.1521 1602 LYS A N 12276 C CA . LYS B 924 ? 0.9610 1.0730 0.8230 0.2362 0.0901 0.1451 1602 LYS A CA 12277 C C . LYS B 924 ? 0.9637 1.0697 0.8563 0.2132 0.0918 0.1516 1602 LYS A C 12278 O O . LYS B 924 ? 0.8163 0.9335 0.7263 0.2119 0.1023 0.1708 1602 LYS A O 12279 C CB . LYS B 924 ? 0.9126 1.0254 0.7737 0.2401 0.0941 0.1564 1602 LYS A CB 12280 C CG . LYS B 924 ? 0.8475 0.9621 0.7259 0.2364 0.1087 0.1827 1602 LYS A CG 12281 C CD . LYS B 924 ? 0.8528 0.9529 0.7353 0.2336 0.1071 0.1871 1602 LYS A CD 12282 C CE . LYS B 924 ? 0.9006 0.9990 0.7884 0.2365 0.1187 0.2158 1602 LYS A CE 12283 N NZ . LYS B 924 ? 0.9066 1.0021 0.8183 0.2177 0.1246 0.2324 1602 LYS A NZ 12284 N N . LYS B 925 ? 0.9348 1.0252 0.8332 0.1943 0.0805 0.1369 1603 LYS A N 12285 C CA . LYS B 925 ? 0.9864 1.0637 0.9042 0.1705 0.0792 0.1415 1603 LYS A CA 12286 C C . LYS B 925 ? 1.0505 1.1223 0.9789 0.1662 0.0886 0.1612 1603 LYS A C 12287 O O . LYS B 925 ? 1.0495 1.1173 0.9699 0.1758 0.0933 0.1641 1603 LYS A O 12288 C CB . LYS B 925 ? 1.0006 1.0615 0.9140 0.1548 0.0700 0.1241 1603 LYS A CB 12289 C CG . LYS B 925 ? 0.9778 1.0310 0.8938 0.1378 0.0589 0.1149 1603 LYS A CG 12290 C CD . LYS B 925 ? 0.9909 1.0299 0.9182 0.1171 0.0575 0.1247 1603 LYS A CD 12291 C CE . LYS B 925 ? 1.0036 1.0307 0.9280 0.0977 0.0448 0.1154 1603 LYS A CE 12292 N NZ . LYS B 925 ? 0.9887 1.0075 0.8981 0.0911 0.0432 0.1000 1603 LYS A NZ 12293 N N . VAL B 926 ? 1.1192 1.1905 1.0675 0.1511 0.0888 0.1771 1604 VAL A N 12294 C CA . VAL B 926 ? 1.1176 1.1783 1.0768 0.1417 0.0934 0.1983 1604 VAL A CA 12295 C C . VAL B 926 ? 1.1682 1.1905 1.1123 0.1322 0.0891 0.1865 1604 VAL A C 12296 O O . VAL B 926 ? 1.1510 1.1586 1.0911 0.1372 0.0942 0.1969 1604 VAL A O 12297 C CB . VAL B 926 ? 1.0741 1.1419 1.0618 0.1212 0.0888 0.2189 1604 VAL A CB 12298 C CG1 . VAL B 926 ? 1.0762 1.1122 1.0613 0.0933 0.0723 0.2075 1604 VAL A CG1 12299 C CG2 . VAL B 926 ? 0.8384 0.9091 0.8427 0.1157 0.0950 0.2492 1604 VAL A CG2 12300 N N . THR B 927 ? 1.2367 1.2422 1.1695 0.1218 0.0814 0.1651 1605 THR A N 12301 C CA . THR B 927 ? 1.2283 1.1988 1.1431 0.1170 0.0814 0.1521 1605 THR A CA 12302 C C . THR B 927 ? 1.2499 1.2310 1.1570 0.1405 0.0893 0.1431 1605 THR A C 12303 O O . THR B 927 ? 1.3338 1.3111 1.2321 0.1418 0.0902 0.1264 1605 THR A O 12304 C CB . THR B 927 ? 1.1678 1.1215 1.0708 0.0985 0.0733 0.1350 1605 THR A CB 12305 O OG1 . THR B 927 ? 1.1729 1.1555 1.0799 0.1033 0.0704 0.1249 1605 THR A OG1 12306 C CG2 . THR B 927 ? 1.1758 1.1116 1.0839 0.0727 0.0611 0.1455 1605 THR A CG2 12307 N N . CYS B 928 ? 1.1335 1.1317 1.0453 0.1587 0.0949 0.1567 1606 CYS A N 12308 C CA . CYS B 928 ? 1.0691 1.0787 0.9762 0.1807 0.0988 0.1528 1606 CYS A CA 12309 C C . CYS B 928 ? 1.0118 1.0140 0.9190 0.1928 0.1045 0.1740 1606 CYS A C 12310 O O . CYS B 928 ? 1.0279 1.0475 0.9384 0.1959 0.1070 0.1910 1606 CYS A O 12311 C CB . CYS B 928 ? 1.0614 1.1067 0.9673 0.1918 0.0936 0.1448 1606 CYS A CB 12312 S SG . CYS B 928 ? 1.0656 1.1161 0.9722 0.1763 0.0846 0.1228 1606 CYS A SG 12313 N N . THR B 929 ? 0.9847 0.9611 0.8874 0.2013 0.1079 0.1743 1607 THR A N 12314 C CA . THR B 929 ? 1.0291 0.9861 0.9306 0.2094 0.1112 0.1962 1607 THR A CA 12315 C C . THR B 929 ? 1.0407 1.0203 0.9411 0.2360 0.1127 0.2042 1607 THR A C 12316 O O . THR B 929 ? 1.1258 1.1113 1.0239 0.2430 0.1146 0.2268 1607 THR A O 12317 C CB . THR B 929 ? 1.0853 0.9859 0.9774 0.2031 0.1116 0.1929 1607 THR A CB 12318 O OG1 . THR B 929 ? 1.1427 1.0389 1.0304 0.2235 0.1166 0.1776 1607 THR A OG1 12319 C CG2 . THR B 929 ? 1.0373 0.9133 0.9236 0.1757 0.1060 0.1814 1607 THR A CG2 12320 N N . ASN B 930 ? 1.0075 1.0035 0.9108 0.2499 0.1112 0.1890 1608 ASN A N 12321 C CA . ASN B 930 ? 1.0776 1.0940 0.9830 0.2744 0.1087 0.1984 1608 ASN A CA 12322 C C . ASN B 930 ? 1.0640 1.1186 0.9608 0.2805 0.1014 0.2044 1608 ASN A C 12323 O O . ASN B 930 ? 1.1187 1.1926 1.0131 0.2988 0.0947 0.2121 1608 ASN A O 12324 C CB . ASN B 930 ? 1.2006 1.2303 1.1195 0.2864 0.1086 0.1838 1608 ASN A CB 12325 C CG . ASN B 930 ? 1.3502 1.3871 1.2777 0.3133 0.1071 0.1979 1608 ASN A CG 12326 O OD1 . ASN B 930 ? 1.3677 1.4435 1.3010 0.3244 0.0965 0.2031 1608 ASN A OD1 12327 N ND2 . ASN B 930 ? 1.4374 1.4325 1.3633 0.3241 0.1153 0.2045 1608 ASN A ND2 12328 N N . ALA B 931 ? 1.0578 1.1218 0.9469 0.2676 0.1016 0.2012 1609 ALA A N 12329 C CA . ALA B 931 ? 1.1013 1.1919 0.9718 0.2769 0.0974 0.2055 1609 ALA A CA 12330 C C . ALA B 931 ? 1.1666 1.2547 1.0286 0.2767 0.1088 0.2288 1609 ALA A C 12331 O O . ALA B 931 ? 1.1233 1.2289 0.9720 0.2790 0.1124 0.2294 1609 ALA A O 12332 C CB . ALA B 931 ? 1.0827 1.1875 0.9488 0.2682 0.0897 0.1835 1609 ALA A CB 12333 N N . GLU B 932 ? 1.2634 1.3295 1.1336 0.2748 0.1152 0.2497 1610 GLU A N 12334 C CA . GLU B 932 ? 1.3387 1.4049 1.2092 0.2693 0.1261 0.2775 1610 GLU A CA 12335 C C . GLU B 932 ? 1.3415 1.4332 1.1863 0.2901 0.1303 0.2952 1610 GLU A C 12336 O O . GLU B 932 ? 1.3832 1.4712 1.2158 0.3054 0.1246 0.3036 1610 GLU A O 12337 C CB . GLU B 932 ? 1.4233 1.4506 1.3073 0.2583 0.1272 0.2956 1610 GLU A CB 12338 C CG . GLU B 932 ? 1.5477 1.5742 1.4435 0.2415 0.1354 0.3256 1610 GLU A CG 12339 C CD . GLU B 932 ? 1.5981 1.6332 1.5124 0.2197 0.1361 0.3174 1610 GLU A CD 12340 O OE1 . GLU B 932 ? 1.6239 1.6478 1.5397 0.2129 0.1285 0.2884 1610 GLU A OE1 12341 O OE2 . GLU B 932 ? 1.6236 1.6799 1.5529 0.2096 0.1443 0.3426 1610 GLU A OE2 12342 N N . LEU B 933 ? 1.2594 1.3767 1.0938 0.2927 0.1407 0.3015 1611 LEU A N 12343 C CA . LEU B 933 ? 1.2161 1.3564 1.0155 0.3145 0.1477 0.3158 1611 LEU A CA 12344 C C . LEU B 933 ? 1.2514 1.4033 1.0579 0.3113 0.1668 0.3548 1611 LEU A C 12345 O O . LEU B 933 ? 1.2637 1.4219 1.1008 0.2937 0.1762 0.3654 1611 LEU A O 12346 C CB . LEU B 933 ? 1.1351 1.2942 0.9084 0.3263 0.1477 0.2927 1611 LEU A CB 12347 C CG . LEU B 933 ? 1.0602 1.2107 0.8229 0.3279 0.1260 0.2579 1611 LEU A CG 12348 C CD1 . LEU B 933 ? 1.0348 1.1930 0.7670 0.3385 0.1242 0.2365 1611 LEU A CD1 12349 C CD2 . LEU B 933 ? 1.0509 1.1984 0.7947 0.3404 0.1112 0.2612 1611 LEU A CD2 12350 N N . VAL B 934 ? 1.2600 1.4176 1.0397 0.3269 0.1712 0.3792 1612 VAL A N 12351 C CA . VAL B 934 ? 1.2544 1.4252 1.0399 0.3233 0.1895 0.4226 1612 VAL A CA 12352 C C . VAL B 934 ? 1.2085 1.4183 0.9582 0.3451 0.2094 0.4317 1612 VAL A C 12353 O O . VAL B 934 ? 1.1964 1.4093 0.8964 0.3687 0.2041 0.4153 1612 VAL A O 12354 C CB . VAL B 934 ? 1.2987 1.4463 1.0764 0.3261 0.1824 0.4485 1612 VAL A CB 12355 C CG1 . VAL B 934 ? 1.3564 1.5186 1.1396 0.3197 0.2009 0.4979 1612 VAL A CG1 12356 C CG2 . VAL B 934 ? 1.2572 1.3607 1.0658 0.3101 0.1653 0.4369 1612 VAL A CG2 12357 N N . LYS B 935 ? 1.1829 1.4224 0.9568 0.3377 0.2319 0.4582 1613 LYS A N 12358 C CA . LYS B 935 ? 1.2270 1.5073 0.9689 0.3624 0.2574 0.4696 1613 LYS A CA 12359 C C . LYS B 935 ? 1.3118 1.5976 1.0036 0.3823 0.2655 0.4959 1613 LYS A C 12360 O O . LYS B 935 ? 1.3442 1.6205 1.0502 0.3693 0.2639 0.5301 1613 LYS A O 12361 C CB . LYS B 935 ? 1.1728 1.4920 0.9643 0.3489 0.2811 0.5014 1613 LYS A CB 12362 C CG . LYS B 935 ? 1.1955 1.5648 0.9607 0.3767 0.3155 0.5253 1613 LYS A CG 12363 C CD . LYS B 935 ? 1.2017 1.6185 1.0312 0.3601 0.3379 0.5643 1613 LYS A CD 12364 C CE . LYS B 935 ? 1.2310 1.7051 1.0385 0.3888 0.3780 0.5989 1613 LYS A CE 12365 N NZ . LYS B 935 ? 1.2186 1.7503 1.0993 0.3720 0.4005 0.6430 1613 LYS A NZ 12366 N N . GLY B 936 ? 1.3420 1.6376 0.9699 0.4137 0.2721 0.4794 1614 GLY A N 12367 C CA . GLY B 936 ? 1.3920 1.6927 0.9594 0.4353 0.2794 0.5018 1614 GLY A CA 12368 C C . GLY B 936 ? 1.4090 1.6746 0.9346 0.4427 0.2471 0.4810 1614 GLY A C 12369 O O . GLY B 936 ? 1.4549 1.7217 0.9162 0.4643 0.2481 0.4915 1614 GLY A O 12370 N N . ARG B 937 ? 1.3721 1.6095 0.9321 0.4259 0.2188 0.4538 1615 ARG A N 12371 C CA . ARG B 937 ? 1.3617 1.5743 0.8955 0.4320 0.1874 0.4375 1615 ARG A CA 12372 C C . ARG B 937 ? 1.3548 1.5603 0.8455 0.4457 0.1697 0.3933 1615 ARG A C 12373 O O . ARG B 937 ? 1.3613 1.5701 0.8600 0.4443 0.1761 0.3678 1615 ARG A O 12374 C CB . ARG B 937 ? 1.3264 1.5155 0.9200 0.4102 0.1685 0.4333 1615 ARG A CB 12375 C CG . ARG B 937 ? 1.3903 1.5702 1.0176 0.3967 0.1775 0.4753 1615 ARG A CG 12376 C CD . ARG B 937 ? 1.4405 1.5875 1.1140 0.3819 0.1580 0.4654 1615 ARG A CD 12377 N NE . ARG B 937 ? 1.5379 1.6627 1.2177 0.3813 0.1537 0.5012 1615 ARG A NE 12378 C CZ . ARG B 937 ? 1.5268 1.6176 1.2359 0.3773 0.1375 0.4975 1615 ARG A CZ 12379 N NH1 . ARG B 937 ? 1.4696 1.5502 1.2044 0.3729 0.1264 0.4607 1615 ARG A NH1 12380 N NH2 . ARG B 937 ? 1.5798 1.6455 1.2906 0.3794 0.1334 0.5318 1615 ARG A NH2 12381 N N . GLN B 938 ? 1.3514 1.5449 0.7966 0.4577 0.1442 0.3863 1616 GLN A N 12382 C CA . GLN B 938 ? 1.3656 1.5460 0.7687 0.4659 0.1187 0.3465 1616 GLN A CA 12383 C C . GLN B 938 ? 1.3120 1.4824 0.7667 0.4471 0.0892 0.3233 1616 GLN A C 12384 O O . GLN B 938 ? 1.2848 1.4551 0.7881 0.4365 0.0834 0.3395 1616 GLN A O 12385 C CB . GLN B 938 ? 1.4684 1.6414 0.7912 0.4865 0.1018 0.3518 1616 GLN A CB 12386 C CG . GLN B 938 ? 1.5377 1.7192 0.7915 0.5103 0.1314 0.3690 1616 GLN A CG 12387 C CD . GLN B 938 ? 1.6539 1.8210 0.8171 0.5300 0.1103 0.3700 1616 GLN A CD 12388 O OE1 . GLN B 938 ? 1.7767 1.9420 0.8621 0.5539 0.1288 0.3718 1616 GLN A OE1 12389 N NE2 . GLN B 938 ? 1.6192 1.7769 0.7906 0.5215 0.0714 0.3697 1616 GLN A NE2 12390 N N . TYR B 939 ? 1.3033 1.4638 0.7453 0.4442 0.0713 0.2861 1617 TYR A N 12391 C CA . TYR B 939 ? 1.2667 1.4240 0.7573 0.4257 0.0456 0.2648 1617 TYR A CA 12392 C C . TYR B 939 ? 1.2852 1.4293 0.7320 0.4274 0.0136 0.2334 1617 TYR A C 12393 O O . TYR B 939 ? 1.3264 1.4551 0.7158 0.4393 0.0173 0.2166 1617 TYR A O 12394 C CB . TYR B 939 ? 1.1893 1.3477 0.7404 0.4072 0.0621 0.2542 1617 TYR A CB 12395 C CG . TYR B 939 ? 1.1609 1.3245 0.7601 0.3989 0.0859 0.2823 1617 TYR A CG 12396 C CD1 . TYR B 939 ? 1.1694 1.3406 0.7652 0.4020 0.1158 0.3026 1617 TYR A CD1 12397 C CD2 . TYR B 939 ? 1.1320 1.2914 0.7799 0.3882 0.0779 0.2894 1617 TYR A CD2 12398 C CE1 . TYR B 939 ? 1.1507 1.3223 0.7904 0.3895 0.1323 0.3300 1617 TYR A CE1 12399 C CE2 . TYR B 939 ? 1.1187 1.2707 0.8027 0.3797 0.0957 0.3130 1617 TYR A CE2 12400 C CZ . TYR B 939 ? 1.1391 1.2956 0.8190 0.3778 0.1206 0.3335 1617 TYR A CZ 12401 O OH . TYR B 939 ? 1.1219 1.2670 0.8377 0.3646 0.1333 0.3586 1617 TYR A OH 12402 N N . LEU B 940 ? 1.2702 1.4196 0.7447 0.4157 -0.0185 0.2267 1618 LEU A N 12403 C CA . LEU B 940 ? 1.3416 1.4797 0.7945 0.4071 -0.0536 0.1976 1618 LEU A CA 12404 C C . LEU B 940 ? 1.2899 1.4292 0.7991 0.3859 -0.0513 0.1773 1618 LEU A C 12405 O O . LEU B 940 ? 1.1707 1.3288 0.7474 0.3735 -0.0462 0.1857 1618 LEU A O 12406 C CB . LEU B 940 ? 1.3085 1.4602 0.7669 0.4039 -0.0918 0.2065 1618 LEU A CB 12407 C CG . LEU B 940 ? 1.3259 1.4705 0.7743 0.3879 -0.1344 0.1814 1618 LEU A CG 12408 C CD1 . LEU B 940 ? 1.3914 1.4950 0.7534 0.3953 -0.1432 0.1554 1618 LEU A CD1 12409 C CD2 . LEU B 940 ? 1.3646 1.5299 0.8193 0.3860 -0.1731 0.1971 1618 LEU A CD2 12410 N N . ILE B 941 ? 1.2398 1.3557 0.7175 0.3835 -0.0545 0.1508 1619 ILE A N 12411 C CA . ILE B 941 ? 1.2911 1.4042 0.8143 0.3640 -0.0511 0.1330 1619 ILE A CA 12412 C C . ILE B 941 ? 1.3333 1.4246 0.8308 0.3515 -0.0885 0.1062 1619 ILE A C 12413 O O . ILE B 941 ? 1.4253 1.4850 0.8501 0.3642 -0.1025 0.0910 1619 ILE A O 12414 C CB . ILE B 941 ? 1.2545 1.3589 0.7756 0.3716 -0.0157 0.1307 1619 ILE A CB 12415 C CG1 . ILE B 941 ? 1.1485 1.2736 0.6985 0.3783 0.0172 0.1608 1619 ILE A CG1 12416 C CG2 . ILE B 941 ? 1.1893 1.2889 0.7546 0.3506 -0.0160 0.1137 1619 ILE A CG2 12417 C CD1 . ILE B 941 ? 1.1303 1.2566 0.6915 0.3818 0.0501 0.1651 1619 ILE A CD1 12418 N N . MET B 942 ? 1.3039 1.4097 0.8581 0.3266 -0.1047 0.1012 1620 MET A N 12419 C CA . MET B 942 ? 1.4022 1.4908 0.9459 0.3072 -0.1428 0.0806 1620 MET A CA 12420 C C . MET B 942 ? 1.4348 1.5287 1.0343 0.2849 -0.1343 0.0726 1620 MET A C 12421 O O . MET B 942 ? 1.4331 1.5586 1.0944 0.2776 -0.1147 0.0867 1620 MET A O 12422 C CB . MET B 942 ? 1.4350 1.5486 0.9958 0.2957 -0.1803 0.0913 1620 MET A CB 12423 C CG . MET B 942 ? 1.4848 1.6081 1.0125 0.3170 -0.1835 0.1100 1620 MET A CG 12424 S SD . MET B 942 ? 1.5295 1.6805 1.0712 0.3038 -0.2361 0.1229 1620 MET A SD 12425 C CE . MET B 942 ? 1.4643 1.6731 1.1219 0.2853 -0.2256 0.1393 1620 MET A CE 12426 N N . GLY B 943 ? 1.5020 1.5606 1.0754 0.2753 -0.1492 0.0503 1621 GLY A N 12427 C CA . GLY B 943 ? 1.5193 1.5806 1.1406 0.2542 -0.1413 0.0448 1621 GLY A CA 12428 C C . GLY B 943 ? 1.6137 1.6317 1.2038 0.2403 -0.1693 0.0219 1621 GLY A C 12429 O O . GLY B 943 ? 1.6840 1.6666 1.2149 0.2446 -0.1998 0.0080 1621 GLY A O 12430 N N . LYS B 944 ? 1.6401 1.6561 1.2669 0.2231 -0.1604 0.0182 1622 LYS A N 12431 C CA . LYS B 944 ? 1.7601 1.7337 1.3675 0.2065 -0.1859 -0.0003 1622 LYS A CA 12432 C C . LYS B 944 ? 1.8556 1.7916 1.4310 0.2268 -0.1643 -0.0135 1622 LYS A C 12433 O O . LYS B 944 ? 1.7979 1.7554 1.3998 0.2380 -0.1280 -0.0033 1622 LYS A O 12434 C CB . LYS B 944 ? 1.7316 1.7299 1.4029 0.1715 -0.1931 0.0079 1622 LYS A CB 12435 C CG . LYS B 944 ? 1.7564 1.7988 1.4707 0.1494 -0.2149 0.0233 1622 LYS A CG 12436 C CD . LYS B 944 ? 1.7439 1.8094 1.5160 0.1168 -0.2169 0.0319 1622 LYS A CD 12437 C CE . LYS B 944 ? 1.7381 1.8588 1.5634 0.0964 -0.2342 0.0515 1622 LYS A CE 12438 N NZ . LYS B 944 ? 1.6995 1.8458 1.5781 0.0648 -0.2341 0.0622 1622 LYS A NZ 12439 N N . GLU B 945 ? 2.0156 1.8938 1.5347 0.2313 -0.1887 -0.0353 1623 GLU A N 12440 C CA . GLU B 945 ? 2.0609 1.8999 1.5572 0.2475 -0.1747 -0.0486 1623 GLU A CA 12441 C C . GLU B 945 ? 1.9533 1.8024 1.4293 0.2868 -0.1338 -0.0444 1623 GLU A C 12442 O O . GLU B 945 ? 1.9388 1.8238 1.4183 0.2992 -0.1151 -0.0298 1623 GLU A O 12443 C CB . GLU B 945 ? 2.0814 1.9354 1.6394 0.2214 -0.1678 -0.0405 1623 GLU A CB 12444 C CG . GLU B 945 ? 2.1438 1.9957 1.7294 0.1804 -0.2037 -0.0393 1623 GLU A CG 12445 C CD . GLU B 945 ? 2.2584 2.0411 1.7908 0.1736 -0.2449 -0.0606 1623 GLU A CD 12446 O OE1 . GLU B 945 ? 2.2950 2.0295 1.7969 0.1895 -0.2414 -0.0746 1623 GLU A OE1 12447 O OE2 . GLU B 945 ? 2.3124 2.0871 1.8339 0.1525 -0.2827 -0.0624 1623 GLU A OE2 12448 N N . ALA B 946 ? 1.8211 1.6402 1.2786 0.3064 -0.1201 -0.0543 1624 ALA A N 12449 C CA . ALA B 946 ? 1.7049 1.5380 1.1502 0.3437 -0.0800 -0.0474 1624 ALA A CA 12450 C C . ALA B 946 ? 1.6344 1.4381 1.0810 0.3555 -0.0731 -0.0565 1624 ALA A C 12451 O O . ALA B 946 ? 1.6748 1.4404 1.1223 0.3357 -0.1012 -0.0694 1624 ALA A O 12452 C CB . ALA B 946 ? 1.7612 1.5742 1.1296 0.3785 -0.0766 -0.0564 1624 ALA A CB 12453 N N . LEU B 947 ? 1.5335 1.3574 0.9832 0.3877 -0.0360 -0.0465 1625 LEU A N 12454 C CA . LEU B 947 ? 1.4966 1.2980 0.9475 0.4079 -0.0259 -0.0524 1625 LEU A CA 12455 C C . LEU B 947 ? 1.5767 1.3570 0.9619 0.4604 -0.0042 -0.0625 1625 LEU A C 12456 O O . LEU B 947 ? 1.5289 1.3492 0.9077 0.4814 0.0259 -0.0468 1625 LEU A O 12457 C CB . LEU B 947 ? 1.3869 1.2416 0.9168 0.3967 -0.0002 -0.0259 1625 LEU A CB 12458 C CG . LEU B 947 ? 1.2911 1.1608 0.8792 0.3489 -0.0181 -0.0175 1625 LEU A CG 12459 C CD1 . LEU B 947 ? 1.2367 1.1533 0.8906 0.3403 0.0061 0.0077 1625 LEU A CD1 12460 C CD2 . LEU B 947 ? 1.3255 1.1415 0.8993 0.3316 -0.0527 -0.0365 1625 LEU A CD2 12461 N N . GLN B 948 ? 1.7007 1.4154 1.0341 0.4823 -0.0192 -0.0880 1626 GLN A N 12462 C CA . GLN B 948 ? 1.5556 1.2381 0.8154 0.5378 0.0011 -0.1029 1626 GLN A CA 12463 C C . GLN B 948 ? 1.6711 1.3690 0.9671 0.5675 0.0308 -0.0929 1626 GLN A C 12464 O O . GLN B 948 ? 1.5638 1.2196 0.8685 0.5627 0.0111 -0.1046 1626 GLN A O 12465 C CB . GLN B 948 ? 1.7514 1.3390 0.9179 0.5455 -0.0389 -0.1410 1626 GLN A CB 12466 C CG . GLN B 948 ? 1.8850 1.4253 0.9581 0.6067 -0.0194 -0.1621 1626 GLN A CG 12467 C CD . GLN B 948 ? 2.0304 1.4621 1.0053 0.6119 -0.0649 -0.2029 1626 GLN A CD 12468 O OE1 . GLN B 948 ? 2.1204 1.5180 1.0171 0.6166 -0.0827 -0.2192 1626 GLN A OE1 12469 N NE2 . GLN B 948 ? 2.0460 1.4187 1.0222 0.6100 -0.0868 -0.2188 1626 GLN A NE2 12470 N N . ILE B 949 ? 1.6450 1.4058 0.9657 0.5971 0.0771 -0.0681 1627 ILE A N 12471 C CA . ILE B 949 ? 1.6806 1.4738 1.0479 0.6264 0.1088 -0.0511 1627 ILE A CA 12472 C C . ILE B 949 ? 1.7796 1.5560 1.0779 0.6929 0.1416 -0.0613 1627 ILE A C 12473 O O . ILE B 949 ? 1.8736 1.6430 1.1048 0.7130 0.1524 -0.0685 1627 ILE A O 12474 C CB . ILE B 949 ? 1.6342 1.5218 1.0972 0.6047 0.1365 -0.0082 1627 ILE A CB 12475 C CG1 . ILE B 949 ? 1.6083 1.5082 1.1179 0.5432 0.1076 -0.0014 1627 ILE A CG1 12476 C CG2 . ILE B 949 ? 1.6319 1.5528 1.1599 0.6201 0.1553 0.0116 1627 ILE A CG2 12477 C CD1 . ILE B 949 ? 1.5506 1.5277 1.1439 0.5189 0.1287 0.0367 1627 ILE A CD1 12478 N N . LYS B 950 ? 1.7849 1.5547 1.0978 0.7294 0.1581 -0.0611 1628 LYS A N 12479 C CA . LYS B 950 ? 1.8997 1.6644 1.1587 0.7996 0.1980 -0.0663 1628 LYS A CA 12480 C C . LYS B 950 ? 1.8879 1.7596 1.2350 0.8160 0.2478 -0.0197 1628 LYS A C 12481 O O . LYS B 950 ? 1.8584 1.7602 1.2788 0.8188 0.2540 -0.0018 1628 LYS A O 12482 C CB . LYS B 950 ? 1.9839 1.6639 1.1956 0.8360 0.1830 -0.0982 1628 LYS A CB 12483 C CG . LYS B 950 ? 2.0793 1.6437 1.1819 0.8324 0.1379 -0.1459 1628 LYS A CG 12484 C CD . LYS B 950 ? 2.1877 1.6629 1.2363 0.8778 0.1285 -0.1764 1628 LYS A CD 12485 C CE . LYS B 950 ? 2.3014 1.6528 1.2315 0.8758 0.0817 -0.2245 1628 LYS A CE 12486 N NZ . LYS B 950 ? 2.4083 1.6610 1.2787 0.9224 0.0714 -0.2557 1628 LYS A NZ 12487 N N . TYR B 951 ? 1.9465 1.8764 1.2877 0.8252 0.2812 0.0028 1629 TYR A N 12488 C CA . TYR B 951 ? 1.9572 1.9924 1.3812 0.8366 0.3278 0.0516 1629 TYR A CA 12489 C C . TYR B 951 ? 2.0714 2.1232 1.4408 0.9097 0.3790 0.0548 1629 TYR A C 12490 O O . TYR B 951 ? 2.1846 2.1848 1.4533 0.9271 0.3764 0.0308 1629 TYR A O 12491 C CB . TYR B 951 ? 1.9275 2.0227 1.3963 0.7882 0.3289 0.0823 1629 TYR A CB 12492 C CG . TYR B 951 ? 1.9349 2.1361 1.5020 0.7848 0.3669 0.1366 1629 TYR A CG 12493 C CD1 . TYR B 951 ? 1.8973 2.1390 1.5639 0.7610 0.3600 0.1602 1629 TYR A CD1 12494 C CD2 . TYR B 951 ? 1.9930 2.2530 1.5530 0.8023 0.4067 0.1668 1629 TYR A CD2 12495 C CE1 . TYR B 951 ? 1.8723 2.2101 1.6310 0.7533 0.3893 0.2118 1629 TYR A CE1 12496 C CE2 . TYR B 951 ? 1.9636 2.3212 1.6175 0.7945 0.4385 0.2202 1629 TYR A CE2 12497 C CZ . TYR B 951 ? 1.8976 2.2935 1.6518 0.7691 0.4283 0.2423 1629 TYR A CZ 12498 O OH . TYR B 951 ? 1.8559 2.3480 1.7056 0.7572 0.4547 0.2972 1629 TYR A OH 12499 N N . ASN B 952 ? 2.0404 2.1609 1.4865 0.9255 0.4090 0.0909 1630 ASN A N 12500 C CA . ASN B 952 ? 2.1229 2.2549 1.5361 0.9707 0.4421 0.0997 1630 ASN A CA 12501 C C . ASN B 952 ? 2.2133 2.2349 1.5199 1.0072 0.4225 0.0481 1630 ASN A C 12502 O O . ASN B 952 ? 2.2626 2.2478 1.5844 1.0213 0.4091 0.0331 1630 ASN A O 12503 C CB . ASN B 952 ? 2.1799 2.3559 1.5629 0.9739 0.4710 0.1238 1630 ASN A CB 12504 C CG . ASN B 952 ? 2.1113 2.4041 1.6051 0.9501 0.5004 0.1847 1630 ASN A CG 12505 O OD1 . ASN B 952 ? 2.0120 2.3495 1.6010 0.9174 0.4911 0.2060 1630 ASN A OD1 12506 N ND2 . ASN B 952 ? 2.1488 2.4890 1.6299 0.9654 0.5338 0.2143 1630 ASN A ND2 12507 N N . PHE B 953 ? 2.2449 2.2092 1.4424 1.0211 0.4176 0.0218 1631 PHE A N 12508 C CA . PHE B 953 ? 2.2867 2.1363 1.3722 1.0505 0.3927 -0.0288 1631 PHE A CA 12509 C C . PHE B 953 ? 2.2658 2.0379 1.2559 1.0290 0.3545 -0.0654 1631 PHE A C 12510 O O . PHE B 953 ? 2.3622 2.0361 1.2477 1.0495 0.3308 -0.1060 1631 PHE A O 12511 C CB . PHE B 953 ? 2.3506 2.2006 1.3849 1.1040 0.4283 -0.0243 1631 PHE A CB 12512 C CG . PHE B 953 ? 2.2223 2.1572 1.3499 1.1271 0.4686 0.0157 1631 PHE A CG 12513 C CD1 . PHE B 953 ? 2.1672 2.2157 1.3695 1.1220 0.5095 0.0689 1631 PHE A CD1 12514 C CD2 . PHE B 953 ? 2.2732 2.1737 1.4151 1.1526 0.4634 0.0020 1631 PHE A CD2 12515 C CE1 . PHE B 953 ? 2.1557 2.2849 1.4468 1.1405 0.5435 0.1082 1631 PHE A CE1 12516 C CE2 . PHE B 953 ? 2.2441 2.2263 1.4749 1.1737 0.4988 0.0404 1631 PHE A CE2 12517 C CZ . PHE B 953 ? 2.1884 2.2867 1.4947 1.1670 0.5385 0.0938 1631 PHE A CZ 12518 N N . SER B 954 ? 2.0639 1.8764 1.0869 0.9876 0.3462 -0.0513 1632 SER A N 12519 C CA . SER B 954 ? 2.1734 1.9272 1.1132 0.9652 0.3119 -0.0794 1632 SER A CA 12520 C C . SER B 954 ? 2.0852 1.8358 1.0689 0.9172 0.2781 -0.0867 1632 SER A C 12521 O O . SER B 954 ? 1.9801 1.7834 1.0737 0.8876 0.2779 -0.0612 1632 SER A O 12522 C CB . SER B 954 ? 2.0998 1.9076 1.0195 0.9658 0.3383 -0.0522 1632 SER A CB 12523 O OG . SER B 954 ? 2.0436 1.9597 1.0696 0.9439 0.3689 -0.0028 1632 SER A OG 12524 N N . PHE B 955 ? 2.1307 1.8242 1.0512 0.8848 0.2343 -0.1112 1633 PHE A N 12525 C CA . PHE B 955 ? 2.0592 1.7534 1.0397 0.8142 0.1870 -0.1086 1633 PHE A CA 12526 C C . PHE B 955 ? 1.9420 1.7309 1.0023 0.7785 0.2046 -0.0656 1633 PHE A C 12527 O O . PHE B 955 ? 1.9347 1.7764 0.9846 0.8027 0.2445 -0.0411 1633 PHE A O 12528 C CB . PHE B 955 ? 2.1665 1.7709 1.0555 0.7933 0.1328 -0.1469 1633 PHE A CB 12529 C CG . PHE B 955 ? 2.2587 1.7667 1.1107 0.7908 0.0905 -0.1850 1633 PHE A CG 12530 C CD1 . PHE B 955 ? 2.2461 1.7538 1.1548 0.8011 0.0991 -0.1821 1633 PHE A CD1 12531 C CD2 . PHE B 955 ? 2.3439 1.7604 1.1059 0.7754 0.0386 -0.2212 1633 PHE A CD2 12532 C CE1 . PHE B 955 ? 2.3007 1.7149 1.1743 0.7978 0.0586 -0.2148 1633 PHE A CE1 12533 C CE2 . PHE B 955 ? 2.4002 1.7231 1.1281 0.7693 -0.0035 -0.2539 1633 PHE A CE2 12534 C CZ . PHE B 955 ? 2.3761 1.6962 1.1589 0.7811 0.0073 -0.2507 1633 PHE A CZ 12535 N N . ARG B 956 ? 1.8647 1.6711 1.0023 0.7205 0.1739 -0.0562 1634 ARG A N 12536 C CA . ARG B 956 ? 1.8071 1.6853 1.0158 0.6809 0.1804 -0.0213 1634 ARG A CA 12537 C C . ARG B 956 ? 1.6827 1.5374 0.9230 0.6239 0.1317 -0.0321 1634 ARG A C 12538 O O . ARG B 956 ? 1.6546 1.4696 0.9099 0.6080 0.1045 -0.0502 1634 ARG A O 12539 C CB . ARG B 956 ? 1.8408 1.8014 1.1499 0.6794 0.2180 0.0192 1634 ARG A CB 12540 C CG . ARG B 956 ? 1.9614 1.9812 1.2643 0.7200 0.2710 0.0492 1634 ARG A CG 12541 C CD . ARG B 956 ? 1.9554 2.0578 1.3670 0.7110 0.3009 0.0921 1634 ARG A CD 12542 N NE . ARG B 956 ? 1.8949 2.0290 1.3838 0.6524 0.2811 0.1131 1634 ARG A NE 12543 C CZ . ARG B 956 ? 1.8243 2.0159 1.4089 0.6293 0.2916 0.1462 1634 ARG A CZ 12544 N NH1 . ARG B 956 ? 1.8540 2.0866 1.4787 0.6583 0.3209 0.1656 1634 ARG A NH1 12545 N NH2 . ARG B 956 ? 1.7244 1.9315 1.3635 0.5783 0.2717 0.1601 1634 ARG A NH2 12546 N N . TYR B 957 ? 1.6131 1.4932 0.8635 0.5949 0.1218 -0.0189 1635 TYR A N 12547 C CA . TYR B 957 ? 1.5534 1.4203 0.8340 0.5447 0.0799 -0.0259 1635 TYR A CA 12548 C C . TYR B 957 ? 1.4168 1.3512 0.7866 0.5119 0.0934 0.0084 1635 TYR A C 12549 O O . TYR B 957 ? 1.4047 1.3841 0.7836 0.5220 0.1218 0.0345 1635 TYR A O 12550 C CB . TYR B 957 ? 1.6481 1.4748 0.8540 0.5405 0.0479 -0.0447 1635 TYR A CB 12551 C CG . TYR B 957 ? 1.7923 1.5369 0.9023 0.5659 0.0244 -0.0829 1635 TYR A CG 12552 C CD1 . TYR B 957 ? 1.9135 1.6345 0.9387 0.6175 0.0489 -0.0928 1635 TYR A CD1 12553 C CD2 . TYR B 957 ? 1.8295 1.5168 0.9307 0.5386 -0.0224 -0.1084 1635 TYR A CD2 12554 C CE1 . TYR B 957 ? 2.0334 1.6680 0.9609 0.6431 0.0260 -0.1311 1635 TYR A CE1 12555 C CE2 . TYR B 957 ? 1.9592 1.5609 0.9687 0.5596 -0.0484 -0.1440 1635 TYR A CE2 12556 C CZ . TYR B 957 ? 2.0742 1.6458 0.9939 0.6128 -0.0248 -0.1573 1635 TYR A CZ 12557 O OH . TYR B 957 ? 2.2554 1.7308 1.0741 0.6359 -0.0520 -0.1961 1635 TYR A OH 12558 N N . ILE B 958 ? 1.3273 1.2648 0.7586 0.4732 0.0732 0.0087 1636 ILE A N 12559 C CA . ILE B 958 ? 1.2080 1.1970 0.7164 0.4415 0.0824 0.0364 1636 ILE A CA 12560 C C . ILE B 958 ? 1.1751 1.1510 0.7001 0.4024 0.0476 0.0271 1636 ILE A C 12561 O O . ILE B 958 ? 1.1860 1.1250 0.7035 0.3875 0.0191 0.0061 1636 ILE A O 12562 C CB . ILE B 958 ? 1.1589 1.1748 0.7329 0.4354 0.0999 0.0522 1636 ILE A CB 12563 C CG1 . ILE B 958 ? 1.2474 1.2825 0.8872 0.3909 0.0878 0.0635 1636 ILE A CG1 12564 C CG2 . ILE B 958 ? 1.1985 1.1748 0.7523 0.4525 0.0911 0.0308 1636 ILE A CG2 12565 C CD1 . ILE B 958 ? 1.2377 1.2915 0.9351 0.3803 0.0966 0.0767 1636 ILE A CD1 12566 N N . TYR B 959 ? 1.1396 1.1465 0.6881 0.3870 0.0503 0.0446 1637 TYR A N 12567 C CA . TYR B 959 ? 1.1692 1.1720 0.7303 0.3577 0.0212 0.0389 1637 TYR A CA 12568 C C . TYR B 959 ? 1.0956 1.1318 0.7270 0.3299 0.0300 0.0577 1637 TYR A C 12569 O O . TYR B 959 ? 1.0641 1.1296 0.7164 0.3338 0.0520 0.0804 1637 TYR A O 12570 C CB . TYR B 959 ? 1.2008 1.2039 0.7178 0.3690 0.0124 0.0408 1637 TYR A CB 12571 C CG . TYR B 959 ? 1.3247 1.2864 0.7583 0.3958 -0.0002 0.0196 1637 TYR A CG 12572 C CD1 . TYR B 959 ? 1.3775 1.3375 0.7675 0.4332 0.0287 0.0229 1637 TYR A CD1 12573 C CD2 . TYR B 959 ? 1.4128 1.3361 0.8089 0.3839 -0.0413 -0.0029 1637 TYR A CD2 12574 C CE1 . TYR B 959 ? 1.4845 1.3995 0.7873 0.4616 0.0188 0.0007 1637 TYR A CE1 12575 C CE2 . TYR B 959 ? 1.5007 1.3750 0.8104 0.4078 -0.0568 -0.0251 1637 TYR A CE2 12576 C CZ . TYR B 959 ? 1.5471 1.4143 0.8061 0.4485 -0.0257 -0.0251 1637 TYR A CZ 12577 O OH . TYR B 959 ? 1.6847 1.4965 0.8473 0.4760 -0.0393 -0.0498 1637 TYR A OH 12578 N N . PRO B 960 ? 1.0352 1.0649 0.7002 0.3018 0.0133 0.0499 1638 PRO A N 12579 C CA . PRO B 960 ? 0.9729 1.0276 0.6937 0.2780 0.0221 0.0649 1638 PRO A CA 12580 C C . PRO B 960 ? 0.9397 1.0110 0.6704 0.2701 0.0153 0.0720 1638 PRO A C 12581 O O . PRO B 960 ? 0.9972 1.0623 0.7044 0.2710 -0.0064 0.0630 1638 PRO A O 12582 C CB . PRO B 960 ? 0.9619 1.0011 0.7036 0.2537 0.0061 0.0528 1638 PRO A CB 12583 C CG . PRO B 960 ? 1.0314 1.0370 0.7344 0.2678 -0.0063 0.0351 1638 PRO A CG 12584 C CD . PRO B 960 ? 1.0844 1.0795 0.7351 0.2921 -0.0113 0.0283 1638 PRO A CD 12585 N N . LEU B 961 ? 0.9049 0.9955 0.6715 0.2626 0.0324 0.0893 1639 LEU A N 12586 C CA . LEU B 961 ? 1.0442 1.1501 0.8263 0.2592 0.0305 0.0988 1639 LEU A CA 12587 C C . LEU B 961 ? 1.0317 1.1413 0.8515 0.2354 0.0264 0.0949 1639 LEU A C 12588 O O . LEU B 961 ? 0.9744 1.0822 0.8180 0.2255 0.0410 0.1016 1639 LEU A O 12589 C CB . LEU B 961 ? 0.8938 1.0101 0.6825 0.2706 0.0524 0.1212 1639 LEU A CB 12590 C CG . LEU B 961 ? 0.9303 1.0493 0.6824 0.2950 0.0629 0.1309 1639 LEU A CG 12591 C CD1 . LEU B 961 ? 0.9277 1.0583 0.6949 0.2996 0.0839 0.1582 1639 LEU A CD1 12592 C CD2 . LEU B 961 ? 0.9703 1.0856 0.6804 0.3089 0.0438 0.1222 1639 LEU A CD2 12593 N N . ASP B 962 ? 1.0709 1.1857 0.8942 0.2256 0.0058 0.0852 1640 ASP A N 12594 C CA . ASP B 962 ? 1.0761 1.1999 0.9330 0.2045 0.0041 0.0830 1640 ASP A CA 12595 C C . ASP B 962 ? 1.1016 1.2521 0.9787 0.2060 -0.0029 0.0898 1640 ASP A C 12596 O O . ASP B 962 ? 1.1041 1.2636 0.9715 0.2232 -0.0051 0.0984 1640 ASP A O 12597 C CB . ASP B 962 ? 1.1029 1.2135 0.9556 0.1864 -0.0133 0.0693 1640 ASP A CB 12598 C CG . ASP B 962 ? 1.1375 1.2410 0.9641 0.1884 -0.0411 0.0600 1640 ASP A CG 12599 O OD1 . ASP B 962 ? 1.1777 1.2817 0.9788 0.2074 -0.0449 0.0621 1640 ASP A OD1 12600 O OD2 . ASP B 962 ? 1.1506 1.2444 0.9788 0.1695 -0.0612 0.0513 1640 ASP A OD2 12601 N N . SER B 963 ? 1.1720 1.3387 1.0788 0.1893 -0.0055 0.0888 1641 SER A N 12602 C CA . SER B 963 ? 1.2142 1.4156 1.1483 0.1914 -0.0131 0.0976 1641 SER A CA 12603 C C . SER B 963 ? 1.2833 1.4921 1.2032 0.1892 -0.0452 0.0953 1641 SER A C 12604 O O . SER B 963 ? 1.3274 1.5104 1.2172 0.1814 -0.0622 0.0830 1641 SER A O 12605 C CB . SER B 963 ? 1.1852 1.4074 1.1543 0.1743 -0.0061 0.0989 1641 SER A CB 12606 O OG . SER B 963 ? 1.1770 1.3867 1.1399 0.1508 -0.0186 0.0895 1641 SER A OG 12607 N N . LEU B 964 ? 1.3557 1.5971 1.2958 0.1972 -0.0553 0.1075 1642 LEU A N 12608 C CA . LEU B 964 ? 1.4179 1.6666 1.3425 0.1953 -0.0901 0.1080 1642 LEU A CA 12609 C C . LEU B 964 ? 1.3729 1.5854 1.2377 0.2122 -0.0964 0.1002 1642 LEU A C 12610 O O . LEU B 964 ? 1.4094 1.6083 1.2403 0.2090 -0.1271 0.0930 1642 LEU A O 12611 C CB . LEU B 964 ? 1.5130 1.7636 1.4463 0.1659 -0.1180 0.1009 1642 LEU A CB 12612 C CG . LEU B 964 ? 1.6248 1.8963 1.5637 0.1543 -0.1593 0.1072 1642 LEU A CG 12613 C CD1 . LEU B 964 ? 1.6327 1.9616 1.6221 0.1644 -0.1567 0.1300 1642 LEU A CD1 12614 C CD2 . LEU B 964 ? 1.6396 1.9110 1.5942 0.1200 -0.1849 0.1036 1642 LEU A CD2 12615 N N . THR B 965 ? 1.2757 1.4713 1.1244 0.2298 -0.0680 0.1024 1643 THR A N 12616 C CA . THR B 965 ? 1.2624 1.4341 1.0589 0.2499 -0.0664 0.1013 1643 THR A CA 12617 C C . THR B 965 ? 1.2671 1.4576 1.0695 0.2692 -0.0587 0.1213 1643 THR A C 12618 O O . THR B 965 ? 1.2865 1.4808 1.1122 0.2763 -0.0326 0.1330 1643 THR A O 12619 C CB . THR B 965 ? 1.2217 1.3677 1.0013 0.2550 -0.0408 0.0957 1643 THR A CB 12620 O OG1 . THR B 965 ? 1.2361 1.3612 1.0068 0.2400 -0.0512 0.0779 1643 THR A OG1 12621 C CG2 . THR B 965 ? 1.2265 1.3580 0.9574 0.2790 -0.0327 0.1001 1643 THR A CG2 12622 N N . TRP B 966 ? 1.2664 1.4641 1.0450 0.2767 -0.0845 0.1259 1644 TRP A N 12623 C CA . TRP B 966 ? 1.2303 1.4478 1.0157 0.2944 -0.0839 0.1474 1644 TRP A CA 12624 C C . TRP B 966 ? 1.1269 1.3214 0.8621 0.3152 -0.0673 0.1544 1644 TRP A C 12625 O O . TRP B 966 ? 1.1578 1.3318 0.8347 0.3220 -0.0797 0.1454 1644 TRP A O 12626 C CB . TRP B 966 ? 1.3556 1.5946 1.1400 0.2903 -0.1233 0.1519 1644 TRP A CB 12627 C CG . TRP B 966 ? 1.4457 1.7134 1.2527 0.3068 -0.1265 0.1768 1644 TRP A CG 12628 C CD1 . TRP B 966 ? 1.4390 1.7472 1.3115 0.3072 -0.1255 0.1921 1644 TRP A CD1 12629 C CD2 . TRP B 966 ? 1.5373 1.7956 1.3005 0.3277 -0.1305 0.1912 1644 TRP A CD2 12630 N NE1 . TRP B 966 ? 1.4730 1.7957 1.3478 0.3280 -0.1304 0.2149 1644 TRP A NE1 12631 C CE2 . TRP B 966 ? 1.5420 1.8338 1.3492 0.3391 -0.1346 0.2155 1644 TRP A CE2 12632 C CE3 . TRP B 966 ? 1.6336 1.8594 1.3233 0.3400 -0.1293 0.1873 1644 TRP A CE3 12633 C CZ2 . TRP B 966 ? 1.6307 1.9216 1.4107 0.3596 -0.1408 0.2368 1644 TRP A CZ2 12634 C CZ3 . TRP B 966 ? 1.7254 1.9529 1.3855 0.3596 -0.1330 0.2085 1644 TRP A CZ3 12635 C CH2 . TRP B 966 ? 1.7188 1.9772 1.4237 0.3679 -0.1404 0.2334 1644 TRP A CH2 12636 N N . ILE B 967 ? 1.0538 1.2495 0.8090 0.3252 -0.0389 0.1712 1645 ILE A N 12637 C CA . ILE B 967 ? 1.0444 1.2251 0.7622 0.3421 -0.0200 0.1850 1645 ILE A CA 12638 C C . ILE B 967 ? 1.1438 1.3355 0.8777 0.3560 -0.0166 0.2119 1645 ILE A C 12639 O O . ILE B 967 ? 1.1127 1.3157 0.8960 0.3537 -0.0135 0.2181 1645 ILE A O 12640 C CB . ILE B 967 ? 1.0175 1.1830 0.7438 0.3367 0.0104 0.1827 1645 ILE A CB 12641 C CG1 . ILE B 967 ? 1.1669 1.3308 0.9291 0.3374 0.0322 0.2030 1645 ILE A CG1 12642 C CG2 . ILE B 967 ? 0.9835 1.1445 0.7315 0.3170 0.0074 0.1596 1645 ILE A CG2 12643 C CD1 . ILE B 967 ? 1.2138 1.3699 0.9522 0.3491 0.0515 0.2259 1645 ILE A CD1 12644 N N . GLU B 968 ? 1.1009 1.2874 0.7898 0.3726 -0.0170 0.2283 1646 GLU A N 12645 C CA . GLU B 968 ? 1.1988 1.3913 0.8976 0.3868 -0.0161 0.2571 1646 GLU A CA 12646 C C . GLU B 968 ? 1.2456 1.4253 0.8984 0.4002 0.0011 0.2784 1646 GLU A C 12647 O O . GLU B 968 ? 1.1976 1.3723 0.7929 0.4071 -0.0014 0.2726 1646 GLU A O 12648 C CB . GLU B 968 ? 1.1459 1.3596 0.8446 0.3931 -0.0506 0.2627 1646 GLU A CB 12649 C CG . GLU B 968 ? 1.2864 1.5039 0.9856 0.4116 -0.0524 0.2952 1646 GLU A CG 12650 C CD . GLU B 968 ? 1.2822 1.5285 1.0277 0.4168 -0.0768 0.3050 1646 GLU A CD 12651 O OE1 . GLU B 968 ? 1.2857 1.5545 1.0410 0.4066 -0.1041 0.2909 1646 GLU A OE1 12652 O OE2 . GLU B 968 ? 1.2686 1.5154 1.0434 0.4313 -0.0693 0.3286 1646 GLU A OE2 12653 N N . TYR B 969 ? 1.2783 1.4508 0.9548 0.4047 0.0186 0.3041 1647 TYR A N 12654 C CA . TYR B 969 ? 1.3383 1.5026 0.9801 0.4149 0.0354 0.3326 1647 TYR A CA 12655 C C . TYR B 969 ? 1.4191 1.5905 1.0108 0.4322 0.0149 0.3477 1647 TYR A C 12656 O O . TYR B 969 ? 1.2656 1.4465 0.8719 0.4376 -0.0108 0.3512 1647 TYR A O 12657 C CB . TYR B 969 ? 1.3751 1.5232 1.0575 0.4120 0.0519 0.3574 1647 TYR A CB 12658 C CG . TYR B 969 ? 1.5038 1.6439 1.1597 0.4202 0.0653 0.3952 1647 TYR A CG 12659 C CD1 . TYR B 969 ? 1.5542 1.7005 1.1769 0.4191 0.0866 0.4053 1647 TYR A CD1 12660 C CD2 . TYR B 969 ? 1.5622 1.6896 1.2294 0.4298 0.0582 0.4237 1647 TYR A CD2 12661 C CE1 . TYR B 969 ? 1.6033 1.7477 1.2048 0.4247 0.1009 0.4445 1647 TYR A CE1 12662 C CE2 . TYR B 969 ? 1.6088 1.7269 1.2525 0.4347 0.0694 0.4619 1647 TYR A CE2 12663 C CZ . TYR B 969 ? 1.6375 1.7661 1.2486 0.4307 0.0912 0.4731 1647 TYR A CZ 12664 O OH . TYR B 969 ? 1.7158 1.8407 1.3057 0.4339 0.1043 0.5155 1647 TYR A OH 12665 N N . TRP B 970 ? 1.4973 1.6666 1.0291 0.4418 0.0266 0.3580 1648 TRP A N 12666 C CA . TRP B 970 ? 1.5925 1.7640 1.0583 0.4582 0.0068 0.3679 1648 TRP A CA 12667 C C . TRP B 970 ? 1.6753 1.8445 1.1005 0.4701 0.0320 0.4030 1648 TRP A C 12668 O O . TRP B 970 ? 1.6870 1.8576 1.0703 0.4758 0.0552 0.4000 1648 TRP A O 12669 C CB . TRP B 970 ? 1.6310 1.7983 1.0430 0.4598 -0.0102 0.3340 1648 TRP A CB 12670 C CG . TRP B 970 ? 1.7398 1.9027 1.0794 0.4733 -0.0406 0.3372 1648 TRP A CG 12671 C CD1 . TRP B 970 ? 1.8211 1.9859 1.1271 0.4871 -0.0462 0.3705 1648 TRP A CD1 12672 C CD2 . TRP B 970 ? 1.7761 1.9268 1.0641 0.4724 -0.0735 0.3065 1648 TRP A CD2 12673 N NE1 . TRP B 970 ? 1.9019 2.0584 1.1362 0.4952 -0.0806 0.3619 1648 TRP A NE1 12674 C CE2 . TRP B 970 ? 1.8737 2.0193 1.0951 0.4857 -0.0990 0.3219 1648 TRP A CE2 12675 C CE3 . TRP B 970 ? 1.7303 1.8697 1.0195 0.4602 -0.0864 0.2684 1648 TRP A CE3 12676 C CZ2 . TRP B 970 ? 1.9263 2.0533 1.0800 0.4860 -0.1387 0.2987 1648 TRP A CZ2 12677 C CZ3 . TRP B 970 ? 1.8004 1.9197 1.0251 0.4603 -0.1252 0.2462 1648 TRP A CZ3 12678 C CH2 . TRP B 970 ? 1.8930 2.0053 1.0496 0.4727 -0.1518 0.2605 1648 TRP A CH2 12679 N N . PRO B 971 ? 1.7419 1.9088 1.1796 0.4752 0.0296 0.4388 1649 PRO A N 12680 C CA . PRO B 971 ? 1.7707 1.9371 1.1644 0.4854 0.0503 0.4772 1649 PRO A CA 12681 C C . PRO B 971 ? 1.7841 1.9532 1.0856 0.5036 0.0381 0.4767 1649 PRO A C 12682 O O . PRO B 971 ? 1.7635 1.9304 1.0388 0.5081 0.0022 0.4576 1649 PRO A O 12683 C CB . PRO B 971 ? 1.7939 1.9501 1.2249 0.4861 0.0414 0.5127 1649 PRO A CB 12684 C CG . PRO B 971 ? 1.7269 1.8766 1.2329 0.4749 0.0318 0.4916 1649 PRO A CG 12685 C CD . PRO B 971 ? 1.7235 1.8863 1.2242 0.4717 0.0140 0.4482 1649 PRO A CD 12686 N N . ARG B 972 ? 1.8340 2.0083 1.0849 0.5136 0.0679 0.5000 1650 ARG A N 12687 C CA . ARG B 972 ? 1.8747 2.0472 1.0245 0.5342 0.0636 0.4993 1650 ARG A CA 12688 C C . ARG B 972 ? 1.9718 2.1403 1.0839 0.5428 0.0460 0.5358 1650 ARG A C 12689 O O . ARG B 972 ? 2.0524 2.2108 1.1009 0.5502 0.0175 0.5213 1650 ARG A O 12690 C CB . ARG B 972 ? 1.8338 2.0188 0.9459 0.5444 0.1091 0.5061 1650 ARG A CB 12691 C CG . ARG B 972 ? 1.7475 1.9483 0.9422 0.5272 0.1434 0.5188 1650 ARG A CG 12692 C CD . ARG B 972 ? 1.8028 2.0268 0.9672 0.5392 0.1889 0.5309 1650 ARG A CD 12693 N NE . ARG B 972 ? 1.8369 2.0564 0.9596 0.5536 0.1922 0.4863 1650 ARG A NE 12694 C CZ . ARG B 972 ? 1.7567 1.9892 0.9208 0.5492 0.2154 0.4694 1650 ARG A CZ 12695 N NH1 . ARG B 972 ? 1.6526 1.9059 0.9006 0.5283 0.2362 0.4937 1650 ARG A NH1 12696 N NH2 . ARG B 972 ? 1.7664 1.9873 0.8858 0.5654 0.2152 0.4288 1650 ARG A NH2 12697 N N . ASP B 973 ? 1.9915 2.1620 1.1512 0.5345 0.0593 0.5763 1651 ASP A N 12698 C CA . ASP B 973 ? 2.0817 2.2448 1.2208 0.5357 0.0435 0.6073 1651 ASP A CA 12699 C C . ASP B 973 ? 2.0374 2.1928 1.2081 0.5373 -0.0016 0.6071 1651 ASP A C 12700 O O . ASP B 973 ? 2.0000 2.1596 1.1895 0.5393 -0.0244 0.5775 1651 ASP A O 12701 C CB . ASP B 973 ? 2.1392 2.3026 1.3170 0.5246 0.0733 0.6518 1651 ASP A CB 12702 C CG . ASP B 973 ? 2.1449 2.3236 1.3517 0.5158 0.1163 0.6532 1651 ASP A CG 12703 O OD1 . ASP B 973 ? 2.2040 2.3998 1.3654 0.5218 0.1431 0.6486 1651 ASP A OD1 12704 O OD2 . ASP B 973 ? 2.1041 2.2775 1.3801 0.5036 0.1227 0.6590 1651 ASP A OD2 12705 N N . THR B 974 ? 2.0559 2.2025 1.2372 0.5367 -0.0147 0.6416 1652 THR A N 12706 C CA . THR B 974 ? 2.0143 2.1582 1.2327 0.5413 -0.0562 0.6455 1652 THR A CA 12707 C C . THR B 974 ? 1.9686 2.0960 1.2426 0.5390 -0.0528 0.6849 1652 THR A C 12708 O O . THR B 974 ? 2.0024 2.1260 1.2988 0.5459 -0.0849 0.6976 1652 THR A O 12709 C CB . THR B 974 ? 2.1137 2.2593 1.2650 0.5469 -0.0950 0.6395 1652 THR A CB 12710 O OG1 . THR B 974 ? 2.1734 2.3197 1.2502 0.5481 -0.0889 0.6077 1652 THR A OG1 12711 C CG2 . THR B 974 ? 2.0591 2.2166 1.2525 0.5504 -0.1413 0.6274 1652 THR A CG2 12712 N N . THR B 975 ? 1.9348 2.0507 1.2335 0.5288 -0.0165 0.7049 1653 THR A N 12713 C CA . THR B 975 ? 2.0045 2.0935 1.3547 0.5242 -0.0143 0.7395 1653 THR A CA 12714 C C . THR B 975 ? 2.0111 2.0858 1.4374 0.5238 -0.0114 0.7278 1653 THR A C 12715 O O . THR B 975 ? 2.0748 2.1196 1.5409 0.5143 0.0037 0.7489 1653 THR A O 12716 C CB . THR B 975 ? 2.0459 2.1267 1.3785 0.5091 0.0185 0.7720 1653 THR A CB 12717 O OG1 . THR B 975 ? 2.1244 2.2264 1.3807 0.5118 0.0257 0.7709 1653 THR A OG1 12718 C CG2 . THR B 975 ? 2.0556 2.1033 1.4111 0.5051 0.0082 0.8132 1653 THR A CG2 12719 N N . CYS B 976 ? 1.9644 2.0572 1.4089 0.5329 -0.0267 0.6937 1654 CYS A N 12720 C CA . CYS B 976 ? 1.8309 1.9115 1.3479 0.5290 -0.0217 0.6719 1654 CYS A CA 12721 C C . CYS B 976 ? 1.8500 1.9207 1.4118 0.5470 -0.0485 0.6822 1654 CYS A C 12722 O O . CYS B 976 ? 1.7599 1.8365 1.3761 0.5493 -0.0545 0.6527 1654 CYS A O 12723 C CB . CYS B 976 ? 1.7184 1.8247 1.2438 0.5199 -0.0209 0.6209 1654 CYS A CB 12724 S SG . CYS B 976 ? 1.7528 1.8920 1.2062 0.5295 -0.0493 0.6063 1654 CYS A SG 12725 N N . SER B 977 ? 1.9678 2.0243 1.5134 0.5544 -0.0626 0.7168 1655 SER A N 12726 C CA . SER B 977 ? 2.0321 2.0824 1.6200 0.5723 -0.0898 0.7261 1655 SER A CA 12727 C C . SER B 977 ? 2.1482 2.2447 1.7471 0.5835 -0.1194 0.7020 1655 SER A C 12728 O O . SER B 977 ? 2.1694 2.2921 1.7170 0.5803 -0.1399 0.6991 1655 SER A O 12729 C CB . SER B 977 ? 1.9363 1.9489 1.5897 0.5794 -0.0773 0.7251 1655 SER A CB 12730 O OG . SER B 977 ? 1.7646 1.7662 1.4496 0.5985 -0.1005 0.7408 1655 SER A OG 12731 N N . SER B 978 ? 2.1913 2.2972 1.8565 0.5957 -0.1229 0.6851 1656 SER A N 12732 C CA . SER B 978 ? 2.1958 2.3510 1.8849 0.6038 -0.1528 0.6675 1656 SER A CA 12733 C C . SER B 978 ? 2.1956 2.3795 1.8580 0.5847 -0.1519 0.6298 1656 SER A C 12734 O O . SER B 978 ? 2.2430 2.4677 1.9201 0.5844 -0.1805 0.6140 1656 SER A O 12735 C CB . SER B 978 ? 2.1280 2.2902 1.9024 0.6224 -0.1530 0.6606 1656 SER A CB 12736 O OG . SER B 978 ? 2.1143 2.3283 1.9192 0.6302 -0.1878 0.6580 1656 SER A OG 12737 N N . CYS B 979 ? 2.0539 2.2178 1.6794 0.5660 -0.1223 0.6145 1657 CYS A N 12738 C CA . CYS B 979 ? 1.9776 2.1633 1.5775 0.5486 -0.1228 0.5756 1657 CYS A CA 12739 C C . CYS B 979 ? 1.8545 2.0532 1.3727 0.5490 -0.1471 0.5796 1657 CYS A C 12740 O O . CYS B 979 ? 1.8387 2.0491 1.3265 0.5370 -0.1538 0.5469 1657 CYS A O 12741 C CB . CYS B 979 ? 2.1194 2.2831 1.7156 0.5309 -0.0832 0.5566 1657 CYS A CB 12742 S SG . CYS B 979 ? 2.2858 2.4500 1.7927 0.5206 -0.0692 0.5476 1657 CYS A SG 12743 N N . GLN B 980 ? 1.9165 2.1083 1.3937 0.5631 -0.1620 0.6185 1658 GLN A N 12744 C CA . GLN B 980 ? 1.9363 2.1377 1.3393 0.5616 -0.1932 0.6180 1658 GLN A CA 12745 C C . GLN B 980 ? 1.8678 2.1034 1.2910 0.5598 -0.2355 0.5954 1658 GLN A C 12746 O O . GLN B 980 ? 1.7600 1.9988 1.1230 0.5509 -0.2535 0.5709 1658 GLN A O 12747 C CB . GLN B 980 ? 1.8289 2.0153 1.2124 0.5664 -0.2062 0.6551 1658 GLN A CB 12748 C CG . GLN B 980 ? 1.8683 2.0753 1.2630 0.5709 -0.2571 0.6643 1658 GLN A CG 12749 C CD . GLN B 980 ? 1.9932 2.1813 1.3295 0.5714 -0.2726 0.6951 1658 GLN A CD 12750 O OE1 . GLN B 980 ? 1.9857 2.1521 1.3402 0.5772 -0.2587 0.7266 1658 GLN A OE1 12751 N NE2 . GLN B 980 ? 2.0496 2.2410 1.3114 0.5641 -0.3035 0.6858 1658 GLN A NE2 12752 N N . ALA B 981 ? 1.7884 2.0488 1.2989 0.5674 -0.2507 0.6025 1659 ALA A N 12753 C CA . ALA B 981 ? 1.6730 1.9735 1.2241 0.5589 -0.2866 0.5812 1659 ALA A CA 12754 C C . ALA B 981 ? 1.6839 1.9862 1.2543 0.5380 -0.2672 0.5358 1659 ALA A C 12755 O O . ALA B 981 ? 1.6989 2.0193 1.2572 0.5224 -0.2959 0.5112 1659 ALA A O 12756 C CB . ALA B 981 ? 1.6511 1.9837 1.2979 0.5756 -0.3007 0.6039 1659 ALA A CB 12757 N N . PHE B 982 ? 1.5566 1.8372 1.1559 0.5359 -0.2216 0.5256 1660 PHE A N 12758 C CA . PHE B 982 ? 1.6105 1.8890 1.2239 0.5164 -0.2011 0.4852 1660 PHE A CA 12759 C C . PHE B 982 ? 1.6886 1.9531 1.2163 0.5040 -0.2092 0.4618 1660 PHE A C 12760 O O . PHE B 982 ? 1.6818 1.9590 1.2081 0.4887 -0.2316 0.4333 1660 PHE A O 12761 C CB . PHE B 982 ? 1.5285 1.7788 1.1703 0.5162 -0.1534 0.4839 1660 PHE A CB 12762 C CG . PHE B 982 ? 1.4465 1.6903 1.0948 0.4966 -0.1305 0.4465 1660 PHE A CG 12763 C CD1 . PHE B 982 ? 1.3587 1.6282 1.0463 0.4837 -0.1446 0.4184 1660 PHE A CD1 12764 C CD2 . PHE B 982 ? 1.4351 1.6496 1.0555 0.4905 -0.0948 0.4433 1660 PHE A CD2 12765 C CE1 . PHE B 982 ? 1.3705 1.6312 1.0630 0.4659 -0.1245 0.3864 1660 PHE A CE1 12766 C CE2 . PHE B 982 ? 1.3471 1.5566 0.9763 0.4737 -0.0752 0.4115 1660 PHE A CE2 12767 C CZ . PHE B 982 ? 1.3684 1.5984 1.0312 0.4619 -0.0904 0.3824 1660 PHE A CZ 12768 N N . LEU B 983 ? 1.7777 2.0146 1.2306 0.5114 -0.1919 0.4751 1661 LEU A N 12769 C CA . LEU B 983 ? 1.8536 2.0735 1.2145 0.5070 -0.1973 0.4539 1661 LEU A CA 12770 C C . LEU B 983 ? 1.9999 2.2279 1.3128 0.5062 -0.2511 0.4512 1661 LEU A C 12771 O O . LEU B 983 ? 2.0030 2.2144 1.2514 0.4982 -0.2660 0.4218 1661 LEU A O 12772 C CB . LEU B 983 ? 1.8518 2.0481 1.1442 0.5191 -0.1647 0.4752 1661 LEU A CB 12773 C CG . LEU B 983 ? 1.7949 1.9818 1.1269 0.5155 -0.1140 0.4797 1661 LEU A CG 12774 C CD1 . LEU B 983 ? 1.8414 2.0141 1.0981 0.5246 -0.0849 0.4974 1661 LEU A CD1 12775 C CD2 . LEU B 983 ? 1.6923 1.8810 1.0673 0.4993 -0.0991 0.4401 1661 LEU A CD2 12776 N N . ALA B 984 ? 2.1635 2.4134 1.5048 0.5144 -0.2828 0.4818 1662 ALA A N 12777 C CA . ALA B 984 ? 2.3116 2.5743 1.6192 0.5091 -0.3409 0.4808 1662 ALA A CA 12778 C C . ALA B 984 ? 2.3457 2.6263 1.6960 0.4862 -0.3654 0.4460 1662 ALA A C 12779 O O . ALA B 984 ? 2.4744 2.7355 1.7570 0.4734 -0.3944 0.4202 1662 ALA A O 12780 C CB . ALA B 984 ? 2.3170 2.6086 1.6674 0.5224 -0.3702 0.5232 1662 ALA A CB 12781 N N . ASN B 985 ? 2.2329 2.5466 1.6913 0.4806 -0.3531 0.4447 1663 ASN A N 12782 C CA . ASN B 985 ? 2.1752 2.5107 1.6783 0.4568 -0.3756 0.4168 1663 ASN A CA 12783 C C . ASN B 985 ? 2.0794 2.3795 1.5433 0.4428 -0.3500 0.3762 1663 ASN A C 12784 O O . ASN B 985 ? 2.0968 2.3929 1.5464 0.4216 -0.3792 0.3497 1663 ASN A O 12785 C CB . ASN B 985 ? 2.1177 2.5022 1.7441 0.4575 -0.3662 0.4285 1663 ASN A CB 12786 C CG . ASN B 985 ? 2.1073 2.4772 1.7739 0.4667 -0.3077 0.4240 1663 ASN A CG 12787 O OD1 . ASN B 985 ? 2.1018 2.4607 1.7799 0.4522 -0.2837 0.3948 1663 ASN A OD1 12788 N ND2 . ASN B 985 ? 2.1138 2.4803 1.8012 0.4898 -0.2875 0.4539 1663 ASN A ND2 12789 N N . LEU B 986 ? 1.9766 2.2506 1.4251 0.4534 -0.2983 0.3729 1664 LEU A N 12790 C CA . LEU B 986 ? 1.8403 2.0827 1.2514 0.4440 -0.2729 0.3381 1664 LEU A CA 12791 C C . LEU B 986 ? 1.8973 2.1030 1.1974 0.4436 -0.2982 0.3185 1664 LEU A C 12792 O O . LEU B 986 ? 1.8784 2.0649 1.1560 0.4282 -0.3124 0.2851 1664 LEU A O 12793 C CB . LEU B 986 ? 1.7046 1.9308 1.1186 0.4562 -0.2166 0.3461 1664 LEU A CB 12794 C CG . LEU B 986 ? 1.5533 1.7770 1.0192 0.4440 -0.1820 0.3233 1664 LEU A CG 12795 C CD1 . LEU B 986 ? 1.5055 1.7145 0.9725 0.4540 -0.1333 0.3377 1664 LEU A CD1 12796 C CD2 . LEU B 986 ? 1.5243 1.7269 0.9477 0.4306 -0.1913 0.2854 1664 LEU A CD2 12797 N N . ASP B 987 ? 1.9736 2.1644 1.1979 0.4614 -0.3047 0.3391 1665 ASP A N 12798 C CA . ASP B 987 ? 2.0533 2.2045 1.1598 0.4647 -0.3311 0.3209 1665 ASP A CA 12799 C C . ASP B 987 ? 2.0758 2.2315 1.1731 0.4462 -0.3988 0.3129 1665 ASP A C 12800 O O . ASP B 987 ? 2.1393 2.2528 1.1422 0.4422 -0.4281 0.2873 1665 ASP A O 12801 C CB . ASP B 987 ? 2.1372 2.2732 1.1616 0.4895 -0.3167 0.3485 1665 ASP A CB 12802 C CG . ASP B 987 ? 2.1445 2.2685 1.1519 0.5051 -0.2528 0.3516 1665 ASP A CG 12803 O OD1 . ASP B 987 ? 2.1983 2.2901 1.1305 0.5125 -0.2357 0.3251 1665 ASP A OD1 12804 O OD2 . ASP B 987 ? 2.1002 2.2462 1.1702 0.5102 -0.2207 0.3815 1665 ASP A OD2 12805 N N . GLU B 988 ? 2.0414 2.2462 1.2336 0.4355 -0.4250 0.3351 1666 GLU A N 12806 C CA . GLU B 988 ? 2.0915 2.3110 1.2969 0.4117 -0.4893 0.3290 1666 GLU A CA 12807 C C . GLU B 988 ? 2.0610 2.2663 1.2847 0.3862 -0.4954 0.2907 1666 GLU A C 12808 O O . GLU B 988 ? 2.1342 2.3043 1.2915 0.3693 -0.5401 0.2669 1666 GLU A O 12809 C CB . GLU B 988 ? 2.0936 2.3797 1.4105 0.4093 -0.5092 0.3652 1666 GLU A CB 12810 C CG . GLU B 988 ? 2.2220 2.5198 1.5107 0.4277 -0.5328 0.4040 1666 GLU A CG 12811 C CD . GLU B 988 ? 2.2148 2.5806 1.6202 0.4291 -0.5525 0.4399 1666 GLU A CD 12812 O OE1 . GLU B 988 ? 2.1540 2.5589 1.6609 0.4177 -0.5412 0.4342 1666 GLU A OE1 12813 O OE2 . GLU B 988 ? 2.2568 2.6378 1.6516 0.4434 -0.5782 0.4749 1666 GLU A OE2 12814 N N . PHE B 989 ? 1.9544 2.1817 1.2637 0.3823 -0.4531 0.2846 1667 PHE A N 12815 C CA . PHE B 989 ? 1.8897 2.1001 1.2133 0.3592 -0.4538 0.2501 1667 PHE A CA 12816 C C . PHE B 989 ? 1.9079 2.0481 1.1176 0.3665 -0.4431 0.2158 1667 PHE A C 12817 O O . PHE B 989 ? 1.9252 2.0283 1.0897 0.3480 -0.4779 0.1870 1667 PHE A O 12818 C CB . PHE B 989 ? 1.8043 2.0467 1.2285 0.3574 -0.4055 0.2514 1667 PHE A CB 12819 C CG . PHE B 989 ? 1.8075 2.0146 1.2163 0.3467 -0.3821 0.2163 1667 PHE A CG 12820 C CD1 . PHE B 989 ? 1.8205 2.0212 1.2435 0.3173 -0.4153 0.1948 1667 PHE A CD1 12821 C CD2 . PHE B 989 ? 1.7889 1.9702 1.1718 0.3649 -0.3288 0.2079 1667 PHE A CD2 12822 C CE1 . PHE B 989 ? 1.8037 1.9687 1.2116 0.3087 -0.3955 0.1643 1667 PHE A CE1 12823 C CE2 . PHE B 989 ? 1.7701 1.9215 1.1421 0.3568 -0.3090 0.1781 1667 PHE A CE2 12824 C CZ . PHE B 989 ? 1.7773 1.9183 1.1601 0.3299 -0.3422 0.1557 1667 PHE A CZ 12825 N N . ALA B 990 ? 1.9083 2.0290 1.0713 0.3944 -0.3946 0.2201 1668 ALA A N 12826 C CA . ALA B 990 ? 1.9522 2.0136 1.0115 0.4084 -0.3759 0.1906 1668 ALA A CA 12827 C C . ALA B 990 ? 2.0702 2.0829 1.0117 0.4096 -0.4259 0.1754 1668 ALA A C 12828 O O . ALA B 990 ? 2.0959 2.0513 0.9568 0.4119 -0.4309 0.1401 1668 ALA A O 12829 C CB . ALA B 990 ? 1.9356 1.9979 0.9732 0.4379 -0.3165 0.2077 1668 ALA A CB 12830 N N . GLU B 991 ? 2.1708 2.2014 1.0974 0.4092 -0.4650 0.2012 1669 GLU A N 12831 C CA . GLU B 991 ? 2.3508 2.3331 1.1624 0.4069 -0.5203 0.1878 1669 GLU A CA 12832 C C . GLU B 991 ? 2.3922 2.3637 1.2246 0.3697 -0.5834 0.1673 1669 GLU A C 12833 O O . GLU B 991 ? 2.5071 2.4130 1.2401 0.3620 -0.6194 0.1360 1669 GLU A O 12834 C CB . GLU B 991 ? 2.4395 2.4463 1.2310 0.4169 -0.5419 0.2259 1669 GLU A CB 12835 C CG . GLU B 991 ? 2.6121 2.5762 1.3151 0.3984 -0.5937 0.2140 1669 GLU A CG 12836 C CD . GLU B 991 ? 2.7483 2.6417 1.3253 0.4149 -0.5654 0.1828 1669 GLU A CD 12837 O OE1 . GLU B 991 ? 2.7389 2.6294 1.2999 0.4441 -0.5019 0.1842 1669 GLU A OE1 12838 O OE2 . GLU B 991 ? 2.8617 2.7049 1.3591 0.3992 -0.6056 0.1580 1669 GLU A OE2 12839 N N . ASP B 992 ? 2.2792 2.3133 1.2425 0.3448 -0.5951 0.1849 1670 ASP A N 12840 C CA . ASP B 992 ? 2.3075 2.3443 1.3052 0.3054 -0.6565 0.1744 1670 ASP A CA 12841 C C . ASP B 992 ? 2.3523 2.3466 1.3465 0.2888 -0.6482 0.1358 1670 ASP A C 12842 O O . ASP B 992 ? 2.3985 2.3630 1.3736 0.2574 -0.7047 0.1183 1670 ASP A O 12843 C CB . ASP B 992 ? 2.1985 2.3261 1.3418 0.2876 -0.6680 0.2114 1670 ASP A CB 12844 C CG . ASP B 992 ? 2.1900 2.3343 1.3817 0.2440 -0.7320 0.2090 1670 ASP A CG 12845 O OD1 . ASP B 992 ? 2.2829 2.4280 1.4435 0.2288 -0.7967 0.2214 1670 ASP A OD1 12846 O OD2 . ASP B 992 ? 2.0848 2.2427 1.3462 0.2231 -0.7194 0.1970 1670 ASP A OD2 12847 N N . ILE B 993 ? 2.3404 2.3290 1.3522 0.3074 -0.5830 0.1238 1671 ILE A N 12848 C CA . ILE B 993 ? 2.3331 2.2907 1.3601 0.2904 -0.5752 0.0925 1671 ILE A CA 12849 C C . ILE B 993 ? 2.5025 2.3642 1.3955 0.2933 -0.6035 0.0519 1671 ILE A C 12850 O O . ILE B 993 ? 2.5028 2.3286 1.3916 0.2636 -0.6444 0.0298 1671 ILE A O 12851 C CB . ILE B 993 ? 2.1725 2.1516 1.2559 0.3090 -0.5011 0.0929 1671 ILE A CB 12852 C CG1 . ILE B 993 ? 2.0808 2.0201 1.1658 0.2951 -0.4934 0.0602 1671 ILE A CG1 12853 C CG2 . ILE B 993 ? 2.2115 2.1722 1.2242 0.3500 -0.4529 0.0965 1671 ILE A CG2 12854 C CD1 . ILE B 993 ? 2.0120 1.9762 1.1787 0.2521 -0.5333 0.0616 1671 ILE A CD1 12855 N N . PHE B 994 ? 2.6457 2.4614 1.4245 0.3296 -0.5828 0.0419 1672 PHE A N 12856 C CA . PHE B 994 ? 2.7992 2.5179 1.4437 0.3416 -0.5985 -0.0003 1672 PHE A CA 12857 C C . PHE B 994 ? 2.9176 2.5925 1.4940 0.3172 -0.6632 -0.0105 1672 PHE A C 12858 O O . PHE B 994 ? 3.0720 2.6667 1.5685 0.3126 -0.6784 -0.0478 1672 PHE A O 12859 C CB . PHE B 994 ? 2.8438 2.5361 1.4029 0.3914 -0.5365 -0.0072 1672 PHE A CB 12860 C CG . PHE B 994 ? 2.9198 2.6401 1.4501 0.4085 -0.5232 0.0217 1672 PHE A CG 12861 C CD1 . PHE B 994 ? 3.0571 2.7319 1.4969 0.4049 -0.5522 0.0113 1672 PHE A CD1 12862 C CD2 . PHE B 994 ? 2.8504 2.6388 1.4426 0.4277 -0.4806 0.0599 1672 PHE A CD2 12863 C CE1 . PHE B 994 ? 3.0993 2.7990 1.5106 0.4193 -0.5409 0.0396 1672 PHE A CE1 12864 C CE2 . PHE B 994 ? 2.8981 2.7081 1.4643 0.4416 -0.4693 0.0888 1672 PHE A CE2 12865 C CZ . PHE B 994 ? 3.0178 2.7847 1.4935 0.4371 -0.4997 0.0791 1672 PHE A CZ 12866 N N . LEU B 995 ? 2.8689 2.5954 1.4833 0.3006 -0.6978 0.0223 1673 LEU A N 12867 C CA . LEU B 995 ? 2.9217 2.6182 1.4876 0.2723 -0.7577 0.0169 1673 LEU A CA 12868 C C . LEU B 995 ? 2.9463 2.6529 1.5811 0.2209 -0.8205 0.0156 1673 LEU A C 12869 O O . LEU B 995 ? 3.0551 2.7396 1.6596 0.1926 -0.8742 0.0119 1673 LEU A O 12870 C CB . LEU B 995 ? 2.8338 2.5835 1.4069 0.2785 -0.7669 0.0557 1673 LEU A CB 12871 C CG . LEU B 995 ? 2.8042 2.5287 1.2823 0.3193 -0.7209 0.0566 1673 LEU A CG 12872 C CD1 . LEU B 995 ? 2.7902 2.5626 1.2764 0.3172 -0.7425 0.0964 1673 LEU A CD1 12873 C CD2 . LEU B 995 ? 2.9081 2.5355 1.2569 0.3280 -0.7210 0.0118 1673 LEU A CD2 12874 N N . ASN B 996 ? 2.8573 2.5983 1.5855 0.2071 -0.8146 0.0202 1674 ASN A N 12875 C CA . ASN B 996 ? 2.9163 2.6778 1.7246 0.1558 -0.8688 0.0250 1674 ASN A CA 12876 C C . ASN B 996 ? 2.9254 2.6197 1.7148 0.1414 -0.8688 -0.0117 1674 ASN A C 12877 O O . ASN B 996 ? 3.0335 2.6724 1.7918 0.1082 -0.9143 -0.0320 1674 ASN A O 12878 C CB . ASN B 996 ? 2.8235 2.6942 1.7753 0.1450 -0.8687 0.0693 1674 ASN A CB 12879 C CG . ASN B 996 ? 2.8820 2.8217 1.8754 0.1412 -0.8947 0.1090 1674 ASN A CG 12880 O OD1 . ASN B 996 ? 2.8492 2.8429 1.8775 0.1720 -0.8636 0.1379 1674 ASN A OD1 12881 N ND2 . ASN B 996 ? 2.9674 2.9043 1.9588 0.1045 -0.9524 0.1112 1674 ASN A ND2 12882 N N . GLY B 997 ? 3.0012 2.6965 1.8086 0.1660 -0.8196 -0.0197 1675 GLY A N 12883 C CA . GLY B 997 ? 3.1068 2.7477 1.9114 0.1507 -0.8210 -0.0490 1675 GLY A CA 12884 C C . GLY B 997 ? 3.0985 2.7946 2.0256 0.0983 -0.8580 -0.0274 1675 GLY A C 12885 O O . GLY B 997 ? 3.1465 2.8021 2.0682 0.0574 -0.9077 -0.0389 1675 GLY A O 12886 N N . CYS B 998 ? 2.9645 2.7636 2.0240 0.0975 -0.8147 0.0064 1676 CYS A N 12887 C CA . CYS B 998 ? 3.0148 2.8867 2.2060 0.0526 -0.8356 0.0337 1676 CYS A CA 12888 C C . CYS B 998 ? 3.0187 2.8400 2.2157 0.0227 -0.8474 0.0114 1676 CYS A C 12889 O O . CYS B 998 ? 3.0076 2.7871 2.1772 0.0450 -0.8002 -0.0127 1676 CYS A O 12890 C CB . CYS B 998 ? 2.9565 2.9335 2.2699 0.0692 -0.7725 0.0667 1676 CYS A CB 12891 S SG . CYS B 998 ? 2.9821 2.9399 2.2715 0.1195 -0.6800 0.0482 1676 CYS A SG 12892 O OXT . CYS B 998 ? 3.0724 2.8951 2.3048 -0.0257 -0.9061 0.0200 1676 CYS A OXT 12908 N N . ASP C 20 ? 1.5232 1.6742 1.6972 0.2511 0.2879 0.0750 23 ASP C N 12909 C CA . ASP C 20 ? 1.3816 1.4909 1.5269 0.2641 0.3132 0.0483 23 ASP C CA 12910 C C . ASP C 20 ? 1.2639 1.3171 1.3420 0.2412 0.3095 0.0314 23 ASP C C 12911 O O . ASP C 20 ? 1.2026 1.2674 1.2607 0.2120 0.3003 0.0353 23 ASP C O 12912 C CB . ASP C 20 ? 1.3398 1.5045 1.5063 0.2644 0.3384 0.0444 23 ASP C CB 12913 C CG . ASP C 20 ? 1.2965 1.4929 1.4436 0.2250 0.3367 0.0482 23 ASP C CG 12914 O OD1 . ASP C 20 ? 1.3173 1.5269 1.4640 0.2024 0.3143 0.0607 23 ASP C OD1 12915 O OD2 . ASP C 20 ? 1.2590 1.4667 1.3905 0.2153 0.3588 0.0381 23 ASP C OD2 12916 N N . CYS C 21 ? 1.2334 1.2271 1.2787 0.2548 0.3163 0.0118 24 CYS C N 12917 C CA . CYS C 21 ? 1.2062 1.1495 1.1926 0.2374 0.3087 -0.0008 24 CYS C CA 12918 C C . CYS C 21 ? 1.1814 1.1186 1.1275 0.2263 0.3276 -0.0144 24 CYS C C 12919 O O . CYS C 21 ? 1.1511 1.0486 1.0491 0.2153 0.3221 -0.0230 24 CYS C O 12920 C CB . CYS C 21 ? 1.2618 1.1479 1.2315 0.2521 0.3020 -0.0129 24 CYS C CB 12921 S SG . CYS C 21 ? 1.2924 1.1737 1.2908 0.2515 0.2727 0.0095 24 CYS C SG 12922 N N . THR C 22 ? 1.2107 1.1908 1.1765 0.2282 0.3490 -0.0137 25 THR C N 12923 C CA . THR C 22 ? 1.2575 1.2372 1.1850 0.2129 0.3667 -0.0203 25 THR C CA 12924 C C . THR C 22 ? 1.2553 1.2326 1.1642 0.1818 0.3537 -0.0078 25 THR C C 12925 O O . THR C 22 ? 1.2974 1.3139 1.2393 0.1677 0.3472 0.0052 25 THR C O 12926 C CB . THR C 22 ? 1.3131 1.3487 1.2715 0.2197 0.3937 -0.0205 25 THR C CB 12927 O OG1 . THR C 22 ? 1.2981 1.3909 1.3144 0.2175 0.3873 -0.0026 25 THR C OG1 12928 C CG2 . THR C 22 ? 1.3684 1.3965 1.3348 0.2522 0.4127 -0.0414 25 THR C CG2 12929 N N . GLY C 23 ? 1.2115 1.1437 1.0695 0.1716 0.3493 -0.0123 26 GLY C N 12930 C CA . GLY C 23 ? 1.1961 1.1149 1.0376 0.1465 0.3381 -0.0030 26 GLY C CA 12931 C C . GLY C 23 ? 1.2253 1.1088 1.0162 0.1378 0.3448 -0.0024 26 GLY C C 12932 O O . GLY C 23 ? 1.2548 1.1146 1.0129 0.1506 0.3478 -0.0114 26 GLY C O 12933 N N . SER C 24 ? 1.2011 1.0809 0.9855 0.1143 0.3462 0.0091 27 SER C N 12934 C CA . SER C 24 ? 1.1623 1.0070 0.9027 0.1037 0.3503 0.0180 27 SER C CA 12935 C C . SER C 24 ? 1.1562 1.0120 0.8688 0.1098 0.3707 0.0177 27 SER C C 12936 O O . SER C 24 ? 1.1294 0.9644 0.8084 0.1241 0.3675 0.0094 27 SER C O 12937 C CB . SER C 24 ? 1.1237 0.9212 0.8366 0.1116 0.3296 0.0157 27 SER C CB 12938 O OG . SER C 24 ? 1.0910 0.8750 0.8206 0.1001 0.3159 0.0170 27 SER C OG 12939 N N . GLU C 25 ? 1.1920 1.0860 0.9176 0.0965 0.3922 0.0253 28 GLU C N 12940 C CA . GLU C 25 ? 1.2637 1.1766 0.9603 0.0974 0.4152 0.0257 28 GLU C CA 12941 C C . GLU C 25 ? 1.2224 1.1361 0.9006 0.0674 0.4267 0.0501 28 GLU C C 12942 O O . GLU C 25 ? 1.1829 1.1205 0.8943 0.0468 0.4321 0.0596 28 GLU C O 12943 C CB . GLU C 25 ? 1.3647 1.3336 1.0977 0.1127 0.4357 0.0107 28 GLU C CB 12944 C CG . GLU C 25 ? 1.4382 1.3988 1.1894 0.1434 0.4265 -0.0114 28 GLU C CG 12945 C CD . GLU C 25 ? 1.5259 1.5380 1.3206 0.1620 0.4445 -0.0253 28 GLU C CD 12946 O OE1 . GLU C 25 ? 1.5847 1.6501 1.4053 0.1511 0.4633 -0.0167 28 GLU C OE1 12947 O OE2 . GLU C 25 ? 1.5548 1.5550 1.3624 0.1856 0.4360 -0.0444 28 GLU C OE2 12948 N N . PRO C 26 ? 1.2356 1.1244 0.8605 0.0623 0.4294 0.0624 29 PRO C N 12949 C CA . PRO C 26 ? 1.2076 1.0751 0.7891 0.0817 0.4220 0.0513 29 PRO C CA 12950 C C . PRO C 26 ? 1.1765 0.9919 0.7490 0.0910 0.3920 0.0521 29 PRO C C 12951 O O . PRO C 26 ? 1.1488 0.9398 0.7429 0.0819 0.3791 0.0625 29 PRO C O 12952 C CB . PRO C 26 ? 1.2336 1.1060 0.7639 0.0651 0.4359 0.0726 29 PRO C CB 12953 C CG . PRO C 26 ? 1.2486 1.1056 0.7903 0.0376 0.4358 0.1028 29 PRO C CG 12954 C CD . PRO C 26 ? 1.2349 1.1191 0.8376 0.0328 0.4403 0.0917 29 PRO C CD 12955 N N . VAL C 27 ? 1.1726 0.9746 0.7140 0.1075 0.3820 0.0391 30 VAL C N 12956 C CA . VAL C 27 ? 1.1400 0.9036 0.6755 0.1174 0.3543 0.0384 30 VAL C CA 12957 C C . VAL C 27 ? 1.1644 0.8991 0.6627 0.1086 0.3441 0.0669 30 VAL C C 12958 O O . VAL C 27 ? 1.2718 1.0153 0.7250 0.1043 0.3504 0.0776 30 VAL C O 12959 C CB . VAL C 27 ? 0.9996 0.7639 0.5207 0.1352 0.3466 0.0126 30 VAL C CB 12960 C CG1 . VAL C 27 ? 1.0445 0.7785 0.5628 0.1426 0.3183 0.0136 30 VAL C CG1 12961 C CG2 . VAL C 27 ? 0.9699 0.7556 0.5317 0.1467 0.3568 -0.0114 30 VAL C CG2 12962 N N . ASP C 28 ? 1.1248 0.8265 0.6424 0.1065 0.3287 0.0795 31 ASP C N 12963 C CA . ASP C 28 ? 1.1552 0.8218 0.6476 0.1053 0.3151 0.1070 31 ASP C CA 12964 C C . ASP C 28 ? 1.1275 0.7748 0.6279 0.1241 0.2900 0.0976 31 ASP C C 12965 O O . ASP C 28 ? 1.1369 0.7800 0.6747 0.1287 0.2834 0.0803 31 ASP C O 12966 C CB . ASP C 28 ? 1.2001 0.8382 0.7109 0.0875 0.3208 0.1294 31 ASP C CB 12967 C CG . ASP C 28 ? 1.2629 0.8562 0.7542 0.0906 0.3064 0.1603 31 ASP C CG 12968 O OD1 . ASP C 28 ? 1.3001 0.8932 0.7536 0.0825 0.3111 0.1895 31 ASP C OD1 12969 O OD2 . ASP C 28 ? 1.3004 0.8612 0.8150 0.1022 0.2906 0.1563 31 ASP C OD2 12970 N N . ALA C 29 ? 1.0785 0.7216 0.5436 0.1332 0.2758 0.1100 32 ALA C N 12971 C CA . ALA C 29 ? 1.0532 0.6894 0.5262 0.1505 0.2522 0.1014 32 ALA C CA 12972 C C . ALA C 29 ? 1.1517 0.7540 0.6585 0.1565 0.2424 0.1101 32 ALA C C 12973 O O . ALA C 29 ? 1.1079 0.7116 0.6443 0.1657 0.2324 0.0903 32 ALA C O 12974 C CB . ALA C 29 ? 1.0915 0.7385 0.5201 0.1565 0.2383 0.1165 32 ALA C CB 12975 N N . PHE C 30 ? 1.1922 0.7629 0.6949 0.1503 0.2464 0.1391 33 PHE C N 12976 C CA . PHE C 30 ? 1.2019 0.7321 0.7371 0.1569 0.2395 0.1440 33 PHE C CA 12977 C C . PHE C 30 ? 1.1709 0.7018 0.7455 0.1471 0.2486 0.1153 33 PHE C C 12978 O O . PHE C 30 ? 1.1403 0.6595 0.7436 0.1567 0.2400 0.0994 33 PHE C O 12979 C CB . PHE C 30 ? 1.1648 0.6528 0.6888 0.1489 0.2444 0.1816 33 PHE C CB 12980 C CG . PHE C 30 ? 1.1900 0.6273 0.7432 0.1625 0.2349 0.1892 33 PHE C CG 12981 C CD1 . PHE C 30 ? 1.1860 0.6242 0.7479 0.1908 0.2149 0.1892 33 PHE C CD1 12982 C CD2 . PHE C 30 ? 1.2642 0.6538 0.8379 0.1467 0.2468 0.1950 33 PHE C CD2 12983 C CE1 . PHE C 30 ? 1.2141 0.6068 0.8073 0.2077 0.2087 0.1934 33 PHE C CE1 12984 C CE2 . PHE C 30 ? 1.2929 0.6290 0.8947 0.1608 0.2403 0.1973 33 PHE C CE2 12985 C CZ . PHE C 30 ? 1.2999 0.6375 0.9125 0.1937 0.2220 0.1961 33 PHE C CZ 12986 N N . GLN C 31 ? 1.1853 0.7368 0.7621 0.1276 0.2662 0.1083 34 GLN C N 12987 C CA . GLN C 31 ? 1.2143 0.7798 0.8276 0.1172 0.2724 0.0831 34 GLN C CA 12988 C C . GLN C 31 ? 1.1225 0.7192 0.7491 0.1311 0.2614 0.0576 34 GLN C C 12989 O O . GLN C 31 ? 1.1145 0.7147 0.7702 0.1304 0.2563 0.0397 34 GLN C O 12990 C CB . GLN C 31 ? 1.3153 0.9067 0.9314 0.0956 0.2926 0.0848 34 GLN C CB 12991 C CG . GLN C 31 ? 1.4347 0.9968 1.0475 0.0731 0.3050 0.1079 34 GLN C CG 12992 C CD . GLN C 31 ? 1.5265 1.0532 1.1698 0.0618 0.3024 0.0991 34 GLN C CD 12993 O OE1 . GLN C 31 ? 1.5446 1.0886 1.2153 0.0627 0.2974 0.0725 34 GLN C OE1 12994 N NE2 . GLN C 31 ? 1.5904 1.0661 1.2279 0.0498 0.3061 0.1214 34 GLN C NE2 12995 N N . ALA C 32 ? 1.0341 0.6534 0.6381 0.1411 0.2577 0.0553 35 ALA C N 12996 C CA . ALA C 32 ? 0.9721 0.6147 0.5874 0.1515 0.2466 0.0342 35 ALA C CA 12997 C C . ALA C 32 ? 1.0202 0.6528 0.6446 0.1645 0.2282 0.0306 35 ALA C C 12998 O O . ALA C 32 ? 1.0611 0.7128 0.7048 0.1677 0.2200 0.0135 35 ALA C O 12999 C CB . ALA C 32 ? 0.9103 0.5711 0.4968 0.1569 0.2474 0.0300 35 ALA C CB 13000 N N . PHE C 33 ? 1.0229 0.6288 0.6361 0.1725 0.2220 0.0484 36 PHE C N 13001 C CA . PHE C 33 ? 1.0593 0.6588 0.6874 0.1886 0.2066 0.0457 36 PHE C CA 13002 C C . PHE C 33 ? 1.0616 0.6353 0.7205 0.1865 0.2116 0.0381 36 PHE C C 13003 O O . PHE C 33 ? 1.0402 0.5989 0.7125 0.2027 0.2030 0.0386 36 PHE C O 13004 C CB . PHE C 33 ? 1.1105 0.6992 0.7140 0.2032 0.1950 0.0707 36 PHE C CB 13005 C CG . PHE C 33 ? 1.1753 0.7946 0.7463 0.2038 0.1871 0.0721 36 PHE C CG 13006 C CD1 . PHE C 33 ? 1.1718 0.8217 0.7486 0.2025 0.1808 0.0487 36 PHE C CD1 13007 C CD2 . PHE C 33 ? 1.2444 0.8616 0.7772 0.2028 0.1862 0.0967 36 PHE C CD2 13008 C CE1 . PHE C 33 ? 1.2150 0.8871 0.7615 0.2000 0.1742 0.0453 36 PHE C CE1 13009 C CE2 . PHE C 33 ? 1.2411 0.8886 0.7402 0.2002 0.1796 0.0926 36 PHE C CE2 13010 C CZ . PHE C 33 ? 1.2455 0.9176 0.7521 0.1986 0.1739 0.0646 36 PHE C CZ 13011 N N . SER C 34 ? 1.0472 0.6184 0.7190 0.1668 0.2255 0.0290 37 SER C N 13012 C CA . SER C 34 ? 1.0528 0.5995 0.7503 0.1583 0.2317 0.0169 37 SER C CA 13013 C C . SER C 34 ? 1.1429 0.6340 0.8379 0.1662 0.2328 0.0355 37 SER C C 13014 O O . SER C 34 ? 1.1652 0.6285 0.8823 0.1721 0.2328 0.0224 37 SER C O 13015 C CB . SER C 34 ? 0.9613 0.5321 0.6830 0.1648 0.2241 -0.0102 37 SER C CB 13016 O OG . SER C 34 ? 0.9413 0.5587 0.6683 0.1543 0.2232 -0.0226 37 SER C OG 13017 N N . GLU C 35 ? 1.1763 0.6506 0.8443 0.1665 0.2342 0.0663 38 GLU C N 13018 C CA . GLU C 35 ? 1.2144 0.6338 0.8775 0.1735 0.2338 0.0939 38 GLU C CA 13019 C C . GLU C 35 ? 1.2270 0.6319 0.9054 0.2052 0.2189 0.0947 38 GLU C C 13020 O O . GLU C 35 ? 1.2825 0.6344 0.9759 0.2153 0.2195 0.1057 38 GLU C O 13021 C CB . GLU C 35 ? 1.2487 0.6227 0.9282 0.1504 0.2488 0.0908 38 GLU C CB 13022 C CG . GLU C 35 ? 1.2794 0.6707 0.9459 0.1187 0.2639 0.0978 38 GLU C CG 13023 C CD . GLU C 35 ? 1.3786 0.7261 1.0609 0.0909 0.2775 0.0969 38 GLU C CD 13024 O OE1 . GLU C 35 ? 1.5226 0.8272 1.2279 0.0951 0.2761 0.0806 38 GLU C OE1 13025 O OE2 . GLU C 35 ? 1.3662 0.7235 1.0387 0.0637 0.2904 0.1106 38 GLU C OE2 13026 N N . GLY C 36 ? 1.2016 0.6538 0.8794 0.2211 0.2059 0.0834 39 GLY C N 13027 C CA . GLY C 36 ? 1.0771 0.5314 0.7719 0.2517 0.1912 0.0851 39 GLY C CA 13028 C C . GLY C 36 ? 1.2133 0.6562 0.9474 0.2608 0.1954 0.0538 39 GLY C C 13029 O O . GLY C 36 ? 1.2411 0.6672 0.9971 0.2885 0.1887 0.0576 39 GLY C O 13030 N N . LYS C 37 ? 1.2043 0.6603 0.9487 0.2387 0.2066 0.0224 40 LYS C N 13031 C CA . LYS C 37 ? 1.1866 0.6395 0.9631 0.2423 0.2124 -0.0124 40 LYS C CA 13032 C C . LYS C 37 ? 1.1920 0.7113 0.9779 0.2430 0.2065 -0.0386 40 LYS C C 13033 O O . LYS C 37 ? 1.2191 0.7480 1.0296 0.2485 0.2106 -0.0680 40 LYS C O 13034 C CB . LYS C 37 ? 1.1947 0.6170 0.9767 0.2124 0.2289 -0.0302 40 LYS C CB 13035 C CG . LYS C 37 ? 1.3010 0.6522 1.0774 0.2052 0.2371 -0.0065 40 LYS C CG 13036 C CD . LYS C 37 ? 1.3403 0.6694 1.1246 0.1705 0.2525 -0.0289 40 LYS C CD 13037 C CE . LYS C 37 ? 1.4230 0.6878 1.1979 0.1543 0.2611 -0.0004 40 LYS C CE 13038 N NZ . LYS C 37 ? 1.5190 0.7131 1.3058 0.1809 0.2587 0.0170 40 LYS C NZ 13039 N N . GLU C 38 ? 1.1344 0.6982 0.9010 0.2362 0.1979 -0.0297 41 GLU C N 13040 C CA . GLU C 38 ? 1.0850 0.7075 0.8591 0.2312 0.1923 -0.0497 41 GLU C CA 13041 C C . GLU C 38 ? 1.0268 0.6831 0.7875 0.2429 0.1766 -0.0342 41 GLU C C 13042 O O . GLU C 38 ? 1.1049 0.7451 0.8437 0.2494 0.1709 -0.0093 41 GLU C O 13043 C CB . GLU C 38 ? 1.1242 0.7671 0.8926 0.2023 0.1993 -0.0597 41 GLU C CB 13044 C CG . GLU C 38 ? 1.2733 0.8979 1.0551 0.1842 0.2128 -0.0791 41 GLU C CG 13045 C CD . GLU C 38 ? 1.4029 1.0567 1.2062 0.1834 0.2145 -0.1109 41 GLU C CD 13046 O OE1 . GLU C 38 ? 1.4512 1.1434 1.2612 0.1969 0.2059 -0.1158 41 GLU C OE1 13047 O OE2 . GLU C 38 ? 1.4603 1.1029 1.2727 0.1666 0.2252 -0.1323 41 GLU C OE2 13048 N N . ALA C 39 ? 0.9298 0.6361 0.7020 0.2421 0.1695 -0.0494 42 ALA C N 13049 C CA . ALA C 39 ? 0.8696 0.6128 0.6314 0.2466 0.1541 -0.0396 42 ALA C CA 13050 C C . ALA C 39 ? 0.8619 0.6257 0.6089 0.2236 0.1532 -0.0425 42 ALA C C 13051 O O . ALA C 39 ? 0.8017 0.5759 0.5585 0.2077 0.1607 -0.0557 42 ALA C O 13052 C CB . ALA C 39 ? 0.8252 0.6133 0.6130 0.2603 0.1463 -0.0519 42 ALA C CB 13053 N N . TYR C 40 ? 0.8466 0.6167 0.5708 0.2222 0.1436 -0.0302 43 TYR C N 13054 C CA . TYR C 40 ? 0.7881 0.5676 0.4989 0.2042 0.1431 -0.0329 43 TYR C CA 13055 C C . TYR C 40 ? 0.8237 0.6383 0.5320 0.2010 0.1276 -0.0350 43 TYR C C 13056 O O . TYR C 40 ? 0.8474 0.6768 0.5520 0.2124 0.1160 -0.0282 43 TYR C O 13057 C CB . TYR C 40 ? 0.7711 0.5201 0.4532 0.2008 0.1501 -0.0220 43 TYR C CB 13058 C CG . TYR C 40 ? 0.7775 0.4991 0.4635 0.1957 0.1666 -0.0202 43 TYR C CG 13059 C CD1 . TYR C 40 ? 0.8050 0.4993 0.4948 0.2040 0.1721 -0.0123 43 TYR C CD1 13060 C CD2 . TYR C 40 ? 0.8241 0.5475 0.5129 0.1822 0.1764 -0.0251 43 TYR C CD2 13061 C CE1 . TYR C 40 ? 0.8156 0.4852 0.5093 0.1940 0.1870 -0.0111 43 TYR C CE1 13062 C CE2 . TYR C 40 ? 0.8509 0.5585 0.5460 0.1747 0.1907 -0.0230 43 TYR C CE2 13063 C CZ . TYR C 40 ? 0.8594 0.5403 0.5555 0.1782 0.1960 -0.0168 43 TYR C CZ 13064 O OH . TYR C 40 ? 0.8422 0.5076 0.5448 0.1657 0.2100 -0.0152 43 TYR C OH 13065 N N . VAL C 41 ? 0.7902 0.6191 0.5027 0.1841 0.1267 -0.0422 44 VAL C N 13066 C CA . VAL C 41 ? 0.7731 0.6322 0.4858 0.1739 0.1129 -0.0449 44 VAL C CA 13067 C C . VAL C 41 ? 0.7974 0.6344 0.4886 0.1612 0.1127 -0.0457 44 VAL C C 13068 O O . VAL C 41 ? 0.7936 0.6060 0.4839 0.1578 0.1243 -0.0462 44 VAL C O 13069 C CB . VAL C 41 ? 0.7260 0.6221 0.4658 0.1628 0.1113 -0.0515 44 VAL C CB 13070 C CG1 . VAL C 41 ? 0.7574 0.6808 0.5186 0.1771 0.1127 -0.0572 44 VAL C CG1 13071 C CG2 . VAL C 41 ? 0.6665 0.5507 0.4140 0.1520 0.1217 -0.0522 44 VAL C CG2 13072 N N . LEU C 42 ? 0.8442 0.6919 0.5199 0.1542 0.1000 -0.0476 45 LEU C N 13073 C CA . LEU C 42 ? 0.8341 0.6574 0.4886 0.1413 0.1003 -0.0545 45 LEU C CA 13074 C C . LEU C 42 ? 0.8039 0.6301 0.4784 0.1242 0.0979 -0.0575 45 LEU C C 13075 O O . LEU C 42 ? 0.7740 0.6334 0.4626 0.1127 0.0862 -0.0564 45 LEU C O 13076 C CB . LEU C 42 ? 0.8740 0.7091 0.5015 0.1362 0.0866 -0.0579 45 LEU C CB 13077 C CG . LEU C 42 ? 0.9589 0.7664 0.5585 0.1216 0.0878 -0.0721 45 LEU C CG 13078 C CD1 . LEU C 42 ? 1.0124 0.7833 0.5942 0.1316 0.1066 -0.0750 45 LEU C CD1 13079 C CD2 . LEU C 42 ? 0.9947 0.8256 0.5666 0.1122 0.0714 -0.0768 45 LEU C CD2 13080 N N . VAL C 43 ? 0.8288 0.6239 0.5070 0.1226 0.1091 -0.0586 46 VAL C N 13081 C CA . VAL C 43 ? 0.8315 0.6244 0.5308 0.1085 0.1064 -0.0550 46 VAL C CA 13082 C C . VAL C 43 ? 0.8735 0.6273 0.5612 0.0994 0.1065 -0.0643 46 VAL C C 13083 O O . VAL C 43 ? 0.9383 0.6871 0.6398 0.0831 0.0989 -0.0605 46 VAL C O 13084 C CB . VAL C 43 ? 0.7540 0.5493 0.4775 0.1143 0.1167 -0.0450 46 VAL C CB 13085 C CG1 . VAL C 43 ? 0.6929 0.5284 0.4304 0.1165 0.1154 -0.0410 46 VAL C CG1 13086 C CG2 . VAL C 43 ? 0.7260 0.4926 0.4418 0.1290 0.1325 -0.0478 46 VAL C CG2 13087 N N . ARG C 44 ? 0.9108 0.6357 0.5731 0.1082 0.1158 -0.0770 47 ARG C N 13088 C CA . ARG C 44 ? 0.8877 0.5727 0.5361 0.1006 0.1186 -0.0936 47 ARG C CA 13089 C C . ARG C 44 ? 0.9061 0.5869 0.5127 0.1015 0.1201 -0.1109 47 ARG C C 13090 O O . ARG C 44 ? 0.9187 0.6120 0.5105 0.1152 0.1272 -0.1064 47 ARG C O 13091 C CB . ARG C 44 ? 0.8840 0.5355 0.5508 0.1134 0.1352 -0.0935 47 ARG C CB 13092 C CG . ARG C 44 ? 0.8674 0.5224 0.5741 0.1103 0.1313 -0.0736 47 ARG C CG 13093 C CD . ARG C 44 ? 0.8472 0.4802 0.5764 0.1280 0.1470 -0.0698 47 ARG C CD 13094 N NE . ARG C 44 ? 0.8325 0.4723 0.5995 0.1248 0.1406 -0.0461 47 ARG C NE 13095 C CZ . ARG C 44 ? 0.9294 0.5348 0.7141 0.1191 0.1360 -0.0409 47 ARG C CZ 13096 N NH1 . ARG C 44 ? 0.9806 0.5385 0.7487 0.1152 0.1384 -0.0635 47 ARG C NH1 13097 N NH2 . ARG C 44 ? 0.9830 0.6006 0.8012 0.1159 0.1286 -0.0127 47 ARG C NH2 13098 N N . SER C 45 ? 0.9741 0.6379 0.5603 0.0841 0.1129 -0.1299 48 SER C N 13099 C CA . SER C 45 ? 1.0616 0.7270 0.6031 0.0804 0.1130 -0.1484 48 SER C CA 13100 C C . SER C 45 ? 1.1150 0.7443 0.6390 0.0604 0.1118 -0.1773 48 SER C C 13101 O O . SER C 45 ? 1.1607 0.7808 0.7020 0.0409 0.0996 -0.1779 48 SER C O 13102 C CB . SER C 45 ? 1.0549 0.7711 0.5819 0.0754 0.0945 -0.1372 48 SER C CB 13103 O OG . SER C 45 ? 1.0588 0.7827 0.5399 0.0690 0.0917 -0.1520 48 SER C OG 13104 N N . THR C 46 ? 1.1746 0.7833 0.6633 0.0632 0.1255 -0.2022 49 THR C N 13105 C CA . THR C 46 ? 1.2322 0.8056 0.6969 0.0425 0.1257 -0.2375 49 THR C CA 13106 C C . THR C 46 ? 1.2699 0.8793 0.6957 0.0164 0.1051 -0.2483 49 THR C C 13107 O O . THR C 46 ? 1.3322 0.9171 0.7357 -0.0082 0.1015 -0.2798 49 THR C O 13108 C CB . THR C 46 ? 1.2305 0.7703 0.6736 0.0566 0.1522 -0.2656 49 THR C CB 13109 O OG1 . THR C 46 ? 1.2379 0.8171 0.6442 0.0653 0.1579 -0.2612 49 THR C OG1 13110 C CG2 . THR C 46 ? 1.1666 0.6752 0.6548 0.0823 0.1714 -0.2553 49 THR C CG2 13111 N N . ASP C 47 ? 1.2463 0.9132 0.6655 0.0210 0.0912 -0.2233 50 ASP C N 13112 C CA . ASP C 47 ? 1.2810 0.9952 0.6705 -0.0011 0.0682 -0.2266 50 ASP C CA 13113 C C . ASP C 47 ? 1.3165 1.0406 0.7330 -0.0268 0.0484 -0.2247 50 ASP C C 13114 O O . ASP C 47 ? 1.2851 1.0298 0.7427 -0.0187 0.0424 -0.1976 50 ASP C O 13115 C CB . ASP C 47 ? 1.2556 1.0260 0.6407 0.0174 0.0594 -0.1947 50 ASP C CB 13116 C CG . ASP C 47 ? 1.3035 1.1298 0.6544 -0.0004 0.0361 -0.1949 50 ASP C CG 13117 O OD1 . ASP C 47 ? 1.3101 1.1549 0.6643 -0.0280 0.0177 -0.2060 50 ASP C OD1 13118 O OD2 . ASP C 47 ? 1.3637 1.2189 0.6850 0.0118 0.0351 -0.1812 50 ASP C OD2 13119 N N . PRO C 48 ? 1.3345 1.0476 0.7285 -0.0605 0.0386 -0.2536 51 PRO C N 13120 C CA . PRO C 48 ? 1.2872 1.0131 0.7078 -0.0903 0.0196 -0.2497 51 PRO C CA 13121 C C . PRO C 48 ? 1.1732 0.9838 0.6067 -0.0931 -0.0036 -0.2224 51 PRO C C 13122 O O . PRO C 48 ? 1.1535 0.9869 0.6202 -0.1109 -0.0162 -0.2103 51 PRO C O 13123 C CB . PRO C 48 ? 1.4043 1.0994 0.7894 -0.1280 0.0152 -0.2916 51 PRO C CB 13124 C CG . PRO C 48 ? 1.4548 1.1600 0.7862 -0.1198 0.0231 -0.3125 51 PRO C CG 13125 C CD . PRO C 48 ? 1.4143 1.1053 0.7563 -0.0764 0.0452 -0.2934 51 PRO C CD 13126 N N . LYS C 49 ? 1.1521 1.0120 0.5630 -0.0756 -0.0092 -0.2107 52 LYS C N 13127 C CA . LYS C 49 ? 1.1629 1.1041 0.5910 -0.0709 -0.0305 -0.1834 52 LYS C CA 13128 C C . LYS C 49 ? 1.1235 1.0778 0.5856 -0.0309 -0.0218 -0.1511 52 LYS C C 13129 O O . LYS C 49 ? 1.0277 1.0414 0.4996 -0.0149 -0.0346 -0.1284 52 LYS C O 13130 C CB . LYS C 49 ? 1.1899 1.1820 0.5734 -0.0782 -0.0466 -0.1871 52 LYS C CB 13131 C CG . LYS C 49 ? 1.2707 1.2598 0.6157 -0.1226 -0.0574 -0.2234 52 LYS C CG 13132 C CD . LYS C 49 ? 1.3457 1.4075 0.6505 -0.1319 -0.0790 -0.2201 52 LYS C CD 13133 C CE . LYS C 49 ? 1.4446 1.5005 0.7005 -0.1782 -0.0871 -0.2630 52 LYS C CE 13134 N NZ . LYS C 49 ? 1.4991 1.4796 0.7128 -0.1772 -0.0606 -0.2982 52 LYS C NZ 13135 N N . ALA C 50 ? 1.1508 1.0511 0.6327 -0.0147 -0.0007 -0.1491 53 ALA C N 13136 C CA . ALA C 50 ? 1.1142 1.0215 0.6243 0.0193 0.0092 -0.1237 53 ALA C CA 13137 C C . ALA C 50 ? 1.1300 1.0962 0.6810 0.0216 -0.0043 -0.1046 53 ALA C C 13138 O O . ALA C 50 ? 1.2481 1.2259 0.8219 -0.0011 -0.0108 -0.1076 53 ALA C O 13139 C CB . ALA C 50 ? 1.0551 0.9028 0.5820 0.0293 0.0314 -0.1265 53 ALA C CB 13140 N N . ARG C 51 ? 1.0790 1.0821 0.6402 0.0492 -0.0074 -0.0846 54 ARG C N 13141 C CA . ARG C 51 ? 1.0835 1.1485 0.6853 0.0568 -0.0182 -0.0697 54 ARG C CA 13142 C C . ARG C 51 ? 1.0039 1.0572 0.6428 0.0592 -0.0051 -0.0674 54 ARG C C 13143 O O . ARG C 51 ? 0.9846 0.9921 0.6254 0.0742 0.0127 -0.0661 54 ARG C O 13144 C CB . ARG C 51 ? 1.1379 1.2323 0.7450 0.0911 -0.0218 -0.0493 54 ARG C CB 13145 C CG . ARG C 51 ? 1.2281 1.3442 0.7975 0.0896 -0.0372 -0.0443 54 ARG C CG 13146 C CD . ARG C 51 ? 1.3199 1.5073 0.8942 0.0666 -0.0624 -0.0463 54 ARG C CD 13147 N NE . ARG C 51 ? 1.4575 1.6693 0.9896 0.0600 -0.0786 -0.0428 54 ARG C NE 13148 C CZ . ARG C 51 ? 1.4986 1.7509 1.0309 0.0863 -0.0908 -0.0160 54 ARG C CZ 13149 N NH1 . ARG C 51 ? 1.4741 1.7394 1.0496 0.1231 -0.0869 0.0062 54 ARG C NH1 13150 N NH2 . ARG C 51 ? 1.5384 1.8175 1.0273 0.0757 -0.1069 -0.0112 54 ARG C NH2 13151 N N . ASP C 52 ? 0.9690 1.0713 0.6372 0.0420 -0.0144 -0.0659 55 ASP C N 13152 C CA . ASP C 52 ? 0.9272 1.0310 0.6276 0.0397 -0.0036 -0.0620 55 ASP C CA 13153 C C . ASP C 52 ? 0.8743 0.9923 0.5979 0.0747 0.0078 -0.0534 55 ASP C C 13154 O O . ASP C 52 ? 0.8560 1.0162 0.5917 0.0966 0.0014 -0.0471 55 ASP C O 13155 C CB . ASP C 52 ? 0.9220 1.0860 0.6471 0.0111 -0.0158 -0.0605 55 ASP C CB 13156 C CG . ASP C 52 ? 0.9794 1.1198 0.6848 -0.0292 -0.0258 -0.0703 55 ASP C CG 13157 O OD1 . ASP C 52 ? 1.0781 1.1463 0.7561 -0.0333 -0.0186 -0.0802 55 ASP C OD1 13158 O OD2 . ASP C 52 ? 0.9286 1.1227 0.6476 -0.0573 -0.0400 -0.0697 55 ASP C OD2 13159 N N . CYS C 53 ? 0.8820 0.9642 0.6132 0.0798 0.0242 -0.0534 56 CYS C N 13160 C CA . CYS C 53 ? 0.8681 0.9599 0.6214 0.1063 0.0367 -0.0506 56 CYS C CA 13161 C C . CYS C 53 ? 0.8995 0.9692 0.6411 0.1371 0.0397 -0.0465 56 CYS C C 13162 O O . CYS C 53 ? 0.9049 0.9988 0.6681 0.1618 0.0423 -0.0437 56 CYS C O 13163 C CB . CYS C 53 ? 0.8310 0.9964 0.6198 0.1063 0.0335 -0.0508 56 CYS C CB 13164 S SG . CYS C 53 ? 0.8374 1.0385 0.6382 0.0638 0.0278 -0.0493 56 CYS C SG 13165 N N . LEU C 54 ? 0.9301 0.9524 0.6376 0.1358 0.0404 -0.0459 57 LEU C N 13166 C CA . LEU C 54 ? 0.9304 0.9326 0.6213 0.1600 0.0421 -0.0371 57 LEU C CA 13167 C C . LEU C 54 ? 0.9666 0.9324 0.6677 0.1781 0.0606 -0.0352 57 LEU C C 13168 O O . LEU C 54 ? 0.9971 0.9276 0.6930 0.1688 0.0732 -0.0407 57 LEU C O 13169 C CB . LEU C 54 ? 0.9263 0.8966 0.5744 0.1487 0.0393 -0.0392 57 LEU C CB 13170 C CG . LEU C 54 ? 0.9048 0.8680 0.5277 0.1670 0.0360 -0.0254 57 LEU C CG 13171 C CD1 . LEU C 54 ? 0.8761 0.8949 0.5156 0.1817 0.0179 -0.0113 57 LEU C CD1 13172 C CD2 . LEU C 54 ? 0.8917 0.8340 0.4684 0.1497 0.0343 -0.0333 57 LEU C CD2 13173 N N . LYS C 55 ? 0.9368 0.9117 0.6551 0.2038 0.0618 -0.0274 58 LYS C N 13174 C CA . LYS C 55 ? 0.8801 0.8185 0.6085 0.2194 0.0785 -0.0272 58 LYS C CA 13175 C C . LYS C 55 ? 0.8932 0.8095 0.6121 0.2431 0.0765 -0.0097 58 LYS C C 13176 O O . LYS C 55 ? 0.9004 0.8489 0.6298 0.2595 0.0630 0.0011 58 LYS C O 13177 C CB . LYS C 55 ? 0.8085 0.7758 0.5752 0.2264 0.0851 -0.0391 58 LYS C CB 13178 C CG . LYS C 55 ? 0.8354 0.7644 0.6125 0.2398 0.1020 -0.0437 58 LYS C CG 13179 C CD . LYS C 55 ? 0.8592 0.8177 0.6731 0.2580 0.1067 -0.0561 58 LYS C CD 13180 C CE . LYS C 55 ? 0.8386 0.8491 0.6696 0.2397 0.1087 -0.0728 58 LYS C CE 13181 N NZ . LYS C 55 ? 0.8364 0.8860 0.7030 0.2579 0.1153 -0.0891 58 LYS C NZ 13182 N N . GLY C 56 ? 0.8427 0.7077 0.5438 0.2445 0.0894 -0.0038 59 GLY C N 13183 C CA . GLY C 56 ? 0.9016 0.7383 0.5927 0.2638 0.0893 0.0174 59 GLY C CA 13184 C C . GLY C 56 ? 0.9862 0.7866 0.7016 0.2766 0.1047 0.0147 59 GLY C C 13185 O O . GLY C 56 ? 1.0298 0.8077 0.7470 0.2625 0.1197 0.0012 59 GLY C O 13186 N N . GLU C 57 ? 1.0258 0.8215 0.7618 0.3032 0.1004 0.0272 60 GLU C N 13187 C CA . GLU C 57 ? 1.0886 0.8416 0.8485 0.3159 0.1152 0.0220 60 GLU C CA 13188 C C . GLU C 57 ? 1.1589 0.8712 0.9146 0.3374 0.1119 0.0530 60 GLU C C 13189 O O . GLU C 57 ? 1.1994 0.9353 0.9479 0.3520 0.0945 0.0772 60 GLU C O 13190 C CB . GLU C 57 ? 1.1317 0.9158 0.9350 0.3306 0.1178 -0.0014 60 GLU C CB 13191 C CG . GLU C 57 ? 1.2064 1.0501 1.0292 0.3495 0.1004 0.0049 60 GLU C CG 13192 C CD . GLU C 57 ? 1.2689 1.1515 1.1352 0.3622 0.1069 -0.0217 60 GLU C CD 13193 O OE1 . GLU C 57 ? 1.2892 1.1411 1.1710 0.3637 0.1248 -0.0431 60 GLU C OE1 13194 O OE2 . GLU C 57 ? 1.3231 1.2715 1.2074 0.3685 0.0949 -0.0229 60 GLU C OE2 13195 N N . PRO C 58 ? 1.1809 0.8331 0.9402 0.3374 0.1270 0.0552 61 PRO C N 13196 C CA . PRO C 58 ? 1.2304 0.8357 0.9859 0.3557 0.1241 0.0899 61 PRO C CA 13197 C C . PRO C 58 ? 1.2679 0.8833 1.0618 0.3943 0.1130 0.0996 61 PRO C C 13198 O O . PRO C 58 ? 1.2379 0.8607 1.0713 0.4086 0.1201 0.0718 61 PRO C O 13199 C CB . PRO C 58 ? 1.2909 0.8309 1.0504 0.3425 0.1449 0.0814 61 PRO C CB 13200 C CG . PRO C 58 ? 1.2544 0.8146 1.0349 0.3296 0.1564 0.0380 61 PRO C CG 13201 C CD . PRO C 58 ? 1.1712 0.7969 0.9377 0.3175 0.1465 0.0284 61 PRO C CD 13202 N N . ALA C 59 ? 1.3517 0.9727 1.1344 0.4118 0.0957 0.1399 62 ALA C N 13203 C CA . ALA C 59 ? 1.3648 1.0005 1.1865 0.4529 0.0820 0.1580 62 ALA C CA 13204 C C . ALA C 59 ? 1.4921 1.0542 1.3247 0.4755 0.0840 0.1934 62 ALA C C 13205 O O . ALA C 59 ? 1.5288 1.0984 1.3907 0.5128 0.0695 0.2213 62 ALA C O 13206 C CB . ALA C 59 ? 1.2750 0.9856 1.0821 0.4579 0.0560 0.1806 62 ALA C CB 13207 N N . GLY C 60 ? 1.5564 1.0488 1.3688 0.4536 0.1011 0.1953 63 GLY C N 13208 C CA . GLY C 60 ? 1.6829 1.0974 1.5038 0.4692 0.1038 0.2314 63 GLY C CA 13209 C C . GLY C 60 ? 1.7653 1.1177 1.5574 0.4326 0.1235 0.2290 63 GLY C C 13210 O O . GLY C 60 ? 1.7433 1.1165 1.5135 0.3991 0.1350 0.1984 63 GLY C O 13211 N N . GLU C 61 ? 1.8813 1.1583 1.6768 0.4393 0.1267 0.2646 64 GLU C N 13212 C CA . GLU C 61 ? 1.9365 1.1532 1.7085 0.4031 0.1453 0.2677 64 GLU C CA 13213 C C . GLU C 61 ? 1.9307 1.1727 1.6454 0.3762 0.1396 0.3061 64 GLU C C 13214 O O . GLU C 61 ? 1.9776 1.2701 1.6700 0.3881 0.1199 0.3361 64 GLU C O 13215 C CB . GLU C 61 ? 2.0712 1.2027 1.8771 0.4113 0.1496 0.2837 64 GLU C CB 13216 C CG . GLU C 61 ? 2.1261 1.1965 1.9313 0.3739 0.1729 0.2589 64 GLU C CG 13217 C CD . GLU C 61 ? 2.1101 1.1889 1.9445 0.3695 0.1877 0.1929 64 GLU C CD 13218 O OE1 . GLU C 61 ? 2.0935 1.2163 1.9583 0.3982 0.1801 0.1668 64 GLU C OE1 13219 O OE2 . GLU C 61 ? 2.1196 1.1675 1.9465 0.3350 0.2067 0.1676 64 GLU C OE2 13220 N N . LYS C 62 ? 1.8878 1.0998 1.5784 0.3381 0.1579 0.3029 65 LYS C N 13221 C CA . LYS C 62 ? 1.8340 1.0688 1.4710 0.3099 0.1584 0.3350 65 LYS C CA 13222 C C . LYS C 62 ? 1.9071 1.0900 1.5322 0.3162 0.1516 0.3983 65 LYS C C 13223 O O . LYS C 62 ? 1.9833 1.0921 1.6193 0.3026 0.1650 0.4118 65 LYS C O 13224 C CB . LYS C 62 ? 1.7488 0.9798 1.3717 0.2684 0.1816 0.3074 65 LYS C CB 13225 C CG . LYS C 62 ? 1.7120 0.9641 1.2840 0.2383 0.1881 0.3375 65 LYS C CG 13226 C CD . LYS C 62 ? 1.6121 0.9459 1.1506 0.2353 0.1812 0.3231 65 LYS C CD 13227 C CE . LYS C 62 ? 1.6069 0.9651 1.0971 0.2037 0.1938 0.3414 65 LYS C CE 13228 N NZ . LYS C 62 ? 1.5682 0.9019 1.0681 0.1725 0.2187 0.3260 65 LYS C NZ 13229 N N . GLN C 63 ? 1.8697 1.0927 1.4723 0.3346 0.1295 0.4391 66 GLN C N 13230 C CA . GLN C 63 ? 1.9301 1.1238 1.5177 0.3371 0.1175 0.5044 66 GLN C CA 13231 C C . GLN C 63 ? 1.9280 1.1712 1.4455 0.3084 0.1180 0.5345 66 GLN C C 13232 O O . GLN C 63 ? 1.8761 1.1977 1.3661 0.3107 0.1051 0.5247 66 GLN C O 13233 C CB . GLN C 63 ? 1.9677 1.1838 1.5912 0.3772 0.0873 0.5272 66 GLN C CB 13234 C CG . GLN C 63 ? 1.9916 1.1592 1.6880 0.4054 0.0872 0.4995 66 GLN C CG 13235 C CD . GLN C 63 ? 2.0687 1.1476 1.7890 0.3870 0.0980 0.5070 66 GLN C CD 13236 O OE1 . GLN C 63 ? 2.0731 1.1089 1.8093 0.3702 0.1209 0.4651 66 GLN C OE1 13237 N NE2 . GLN C 63 ? 2.1266 1.1787 1.8480 0.3876 0.0798 0.5609 66 GLN C NE2 13238 N N . ASP C 64 ? 1.9748 1.1871 1.4719 0.2734 0.1304 0.5599 67 ASP C N 13239 C CA . ASP C 64 ? 1.9682 1.2308 1.3998 0.2402 0.1360 0.5834 67 ASP C CA 13240 C C . ASP C 64 ? 1.8578 1.1788 1.2678 0.2255 0.1511 0.5270 67 ASP C C 13241 O O . ASP C 64 ? 1.7682 1.0721 1.2132 0.2218 0.1655 0.4769 67 ASP C O 13242 C CB . ASP C 64 ? 2.0058 1.3188 1.4125 0.2490 0.1057 0.6300 67 ASP C CB 13243 C CG . ASP C 64 ? 2.1121 1.3770 1.5370 0.2439 0.0907 0.6830 67 ASP C CG 13244 O OD1 . ASP C 64 ? 2.1545 1.3664 1.5825 0.2149 0.1081 0.6918 67 ASP C OD1 13245 O OD2 . ASP C 64 ? 2.1744 1.4541 1.6101 0.2678 0.0605 0.7163 67 ASP C OD2 13246 N N . ASN C 65 ? 1.8550 1.2497 1.2133 0.2136 0.1463 0.5286 68 ASN C N 13247 C CA . ASN C 65 ? 1.7892 1.2396 1.1342 0.1994 0.1582 0.4716 68 ASN C CA 13248 C C . ASN C 65 ? 1.7033 1.1923 1.0689 0.2252 0.1396 0.4357 68 ASN C C 13249 O O . ASN C 65 ? 1.6655 1.1948 1.0245 0.2156 0.1471 0.3889 68 ASN C O 13250 C CB . ASN C 65 ? 1.8496 1.3582 1.1286 0.1721 0.1660 0.4826 68 ASN C CB 13251 C CG . ASN C 65 ? 1.9010 1.3938 1.1658 0.1379 0.1959 0.4871 68 ASN C CG 13252 O OD1 . ASN C 65 ? 1.9160 1.3629 1.2211 0.1310 0.2117 0.4697 68 ASN C OD1 13253 N ND2 . ASN C 65 ? 1.9190 1.4568 1.1259 0.1143 0.2044 0.5088 68 ASN C ND2 13254 N N . THR C 66 ? 1.7043 1.1834 1.0974 0.2575 0.1159 0.4576 69 THR C N 13255 C CA . THR C 66 ? 1.6671 1.1901 1.0823 0.2803 0.0978 0.4271 69 THR C CA 13256 C C . THR C 66 ? 1.6447 1.1284 1.1243 0.3004 0.1029 0.3936 69 THR C C 13257 O O . THR C 66 ? 1.6949 1.1124 1.2031 0.3010 0.1166 0.3981 69 THR C O 13258 C CB . THR C 66 ? 1.7006 1.2599 1.1051 0.3035 0.0667 0.4711 69 THR C CB 13259 O OG1 . THR C 66 ? 1.6951 1.2881 1.1385 0.3294 0.0500 0.4441 69 THR C OG1 13260 C CG2 . THR C 66 ? 1.7507 1.2526 1.1722 0.3219 0.0596 0.5309 69 THR C CG2 13261 N N . LEU C 67 ? 1.5746 1.1027 1.0752 0.3140 0.0922 0.3580 70 LEU C N 13262 C CA . LEU C 67 ? 1.5573 1.0677 1.1118 0.3276 0.0990 0.3171 70 LEU C CA 13263 C C . LEU C 67 ? 1.5527 1.1232 1.1276 0.3476 0.0793 0.2981 70 LEU C C 13264 O O . LEU C 67 ? 1.4980 1.1239 1.0451 0.3321 0.0733 0.2794 70 LEU C O 13265 C CB . LEU C 67 ? 1.4841 0.9862 1.0361 0.2989 0.1230 0.2741 70 LEU C CB 13266 C CG . LEU C 67 ? 1.4025 0.9061 0.9988 0.3044 0.1298 0.2268 70 LEU C CG 13267 C CD1 . LEU C 67 ? 1.4602 0.9081 1.1027 0.3247 0.1344 0.2275 70 LEU C CD1 13268 C CD2 . LEU C 67 ? 1.3319 0.8384 0.9188 0.2744 0.1498 0.1940 70 LEU C CD2 13269 N N . PRO C 68 ? 1.6653 1.2273 1.2900 0.3812 0.0701 0.3008 71 PRO C N 13270 C CA . PRO C 68 ? 1.2525 0.8806 0.9010 0.3991 0.0522 0.2838 71 PRO C CA 13271 C C . PRO C 68 ? 1.4119 1.0617 1.0745 0.3828 0.0646 0.2290 71 PRO C C 13272 O O . PRO C 68 ? 1.4497 1.0586 1.1358 0.3785 0.0841 0.2028 71 PRO C O 13273 C CB . PRO C 68 ? 1.2920 0.8978 0.9959 0.4419 0.0445 0.3018 71 PRO C CB 13274 C CG . PRO C 68 ? 1.3650 0.8911 1.0637 0.4459 0.0528 0.3397 71 PRO C CG 13275 C CD . PRO C 68 ? 1.3463 0.8388 1.0089 0.4051 0.0756 0.3214 71 PRO C CD 13276 N N . VAL C 69 ? 1.3099 1.0251 0.9571 0.3714 0.0522 0.2130 72 VAL C N 13277 C CA . VAL C 69 ? 1.2070 0.9459 0.8627 0.3527 0.0613 0.1676 72 VAL C CA 13278 C C . VAL C 69 ? 1.1870 0.9950 0.8664 0.3636 0.0425 0.1575 72 VAL C C 13279 O O . VAL C 69 ? 1.1897 1.0453 0.8454 0.3595 0.0227 0.1727 72 VAL C O 13280 C CB . VAL C 69 ? 1.1829 0.9245 0.7910 0.3180 0.0697 0.1542 72 VAL C CB 13281 C CG1 . VAL C 69 ? 1.1174 0.8849 0.7377 0.3015 0.0750 0.1137 72 VAL C CG1 13282 C CG2 . VAL C 69 ? 1.1939 0.8770 0.7844 0.3057 0.0907 0.1623 72 VAL C CG2 13283 N N . MET C 70 ? 1.1654 0.9842 0.8902 0.3746 0.0489 0.1311 73 MET C N 13284 C CA . MET C 70 ? 1.1152 1.0054 0.8674 0.3810 0.0347 0.1178 73 MET C CA 13285 C C . MET C 70 ? 1.0686 0.9849 0.8042 0.3464 0.0388 0.0864 73 MET C C 13286 O O . MET C 70 ? 1.0577 0.9425 0.7941 0.3313 0.0574 0.0634 73 MET C O 13287 C CB . MET C 70 ? 1.1342 1.0278 0.9449 0.4115 0.0418 0.1052 73 MET C CB 13288 C CG . MET C 70 ? 1.1305 1.1020 0.9749 0.4138 0.0341 0.0841 73 MET C CG 13289 S SD . MET C 70 ? 1.1806 1.1560 1.0937 0.4543 0.0470 0.0669 73 MET C SD 13290 C CE . MET C 70 ? 1.1605 1.2322 1.0999 0.4396 0.0443 0.0358 73 MET C CE 13291 N N . MET C 71 ? 1.0650 1.0384 0.7862 0.3328 0.0203 0.0870 74 MET C N 13292 C CA . MET C 71 ? 1.0228 1.0166 0.7278 0.2991 0.0215 0.0609 74 MET C CA 13293 C C . MET C 71 ? 1.0694 1.1306 0.8123 0.2994 0.0116 0.0477 74 MET C C 13294 O O . MET C 71 ? 1.1367 1.2546 0.8902 0.3087 -0.0086 0.0614 74 MET C O 13295 C CB . MET C 71 ? 0.9665 0.9675 0.6201 0.2756 0.0101 0.0669 74 MET C CB 13296 C CG . MET C 71 ? 0.9671 0.9122 0.5799 0.2717 0.0219 0.0788 74 MET C CG 13297 S SD . MET C 71 ? 0.9714 0.8583 0.5784 0.2537 0.0502 0.0538 74 MET C SD 13298 C CE . MET C 71 ? 0.8857 0.7985 0.4805 0.2221 0.0458 0.0247 74 MET C CE 13299 N N . THR C 72 ? 1.0256 1.0871 0.7889 0.2876 0.0252 0.0230 75 THR C N 13300 C CA . THR C 72 ? 0.9714 1.0993 0.7677 0.2810 0.0192 0.0093 75 THR C CA 13301 C C . THR C 72 ? 0.9235 1.0613 0.6964 0.2406 0.0155 -0.0042 75 THR C C 13302 O O . THR C 72 ? 0.9554 1.0416 0.7019 0.2230 0.0267 -0.0119 75 THR C O 13303 C CB . THR C 72 ? 0.9590 1.0872 0.7943 0.2942 0.0374 -0.0080 75 THR C CB 13304 O OG1 . THR C 72 ? 1.0307 1.1203 0.8499 0.2697 0.0529 -0.0239 75 THR C OG1 13305 C CG2 . THR C 72 ? 0.9449 1.0349 0.7985 0.3316 0.0461 0.0009 75 THR C CG2 13306 N N . PHE C 73 ? 0.8713 1.0752 0.6568 0.2261 -0.0002 -0.0064 76 PHE C N 13307 C CA . PHE C 73 ? 0.8582 1.0691 0.6255 0.1857 -0.0050 -0.0186 76 PHE C CA 13308 C C . PHE C 73 ? 0.8424 1.1368 0.6429 0.1738 -0.0172 -0.0215 76 PHE C C 13309 O O . PHE C 73 ? 0.8124 1.1616 0.6494 0.1997 -0.0214 -0.0150 76 PHE C O 13310 C CB . PHE C 73 ? 0.9103 1.0952 0.6298 0.1676 -0.0160 -0.0159 76 PHE C CB 13311 C CG . PHE C 73 ? 0.9769 1.2141 0.6912 0.1751 -0.0384 -0.0011 76 PHE C CG 13312 C CD1 . PHE C 73 ? 1.0507 1.2781 0.7591 0.2070 -0.0414 0.0200 76 PHE C CD1 13313 C CD2 . PHE C 73 ? 1.0127 1.3111 0.7284 0.1482 -0.0579 -0.0056 76 PHE C CD2 13314 C CE1 . PHE C 73 ? 1.1345 1.4161 0.8387 0.2147 -0.0645 0.0389 76 PHE C CE1 13315 C CE2 . PHE C 73 ? 1.0957 1.4521 0.8073 0.1536 -0.0810 0.0096 76 PHE C CE2 13316 C CZ . PHE C 73 ? 1.1464 1.4964 0.8523 0.1883 -0.0849 0.0331 76 PHE C CZ 13317 N N . LYS C 74 ? 0.8726 1.1770 0.6627 0.1344 -0.0225 -0.0307 77 LYS C N 13318 C CA . LYS C 74 ? 0.8863 1.2707 0.7070 0.1144 -0.0325 -0.0330 77 LYS C CA 13319 C C . LYS C 74 ? 0.8683 1.2687 0.6642 0.0756 -0.0521 -0.0353 77 LYS C C 13320 O O . LYS C 74 ? 0.8353 1.1738 0.5960 0.0504 -0.0498 -0.0438 77 LYS C O 13321 C CB . LYS C 74 ? 0.8485 1.2355 0.6887 0.0980 -0.0172 -0.0413 77 LYS C CB 13322 C CG . LYS C 74 ? 0.8786 1.3578 0.7550 0.0797 -0.0237 -0.0418 77 LYS C CG 13323 C CD . LYS C 74 ? 0.9169 1.4038 0.8097 0.0654 -0.0071 -0.0470 77 LYS C CD 13324 C CE . LYS C 74 ? 1.0055 1.4223 0.8671 0.0324 -0.0043 -0.0460 77 LYS C CE 13325 N NZ . LYS C 74 ? 1.0279 1.4595 0.9042 0.0163 0.0089 -0.0450 77 LYS C NZ 13326 N N . GLN C 75 ? 0.8855 1.3705 0.7025 0.0711 -0.0708 -0.0295 78 GLN C N 13327 C CA . GLN C 75 ? 0.9490 1.4667 0.7489 0.0285 -0.0914 -0.0340 78 GLN C CA 13328 C C . GLN C 75 ? 0.9367 1.5314 0.7766 0.0019 -0.0946 -0.0352 78 GLN C C 13329 O O . GLN C 75 ? 0.9403 1.6209 0.8240 0.0225 -0.0982 -0.0273 78 GLN C O 13330 C CB . GLN C 75 ? 1.0523 1.6170 0.8419 0.0406 -0.1137 -0.0234 78 GLN C CB 13331 C CG . GLN C 75 ? 1.1731 1.7688 0.9371 -0.0070 -0.1360 -0.0321 78 GLN C CG 13332 C CD . GLN C 75 ? 1.2745 1.7788 0.9798 -0.0321 -0.1318 -0.0493 78 GLN C CD 13333 O OE1 . GLN C 75 ? 1.3299 1.8010 1.0221 -0.0738 -0.1298 -0.0665 78 GLN C OE1 13334 N NE2 . GLN C 75 ? 1.2978 1.7606 0.9688 -0.0066 -0.1295 -0.0445 78 GLN C NE2 13335 N N . GLY C 76 ? 0.9589 1.5239 0.7862 -0.0429 -0.0923 -0.0439 79 GLY C N 13336 C CA . GLY C 76 ? 0.9415 1.5745 0.8043 -0.0724 -0.0926 -0.0416 79 GLY C CA 13337 C C . GLY C 76 ? 0.8755 1.5311 0.7734 -0.0423 -0.0719 -0.0378 79 GLY C C 13338 O O . GLY C 76 ? 0.7973 1.3827 0.6826 -0.0294 -0.0541 -0.0400 79 GLY C O 13339 N N . THR C 77 ? 0.9538 1.7130 0.8973 -0.0309 -0.0737 -0.0339 80 THR C N 13340 C CA . THR C 77 ? 0.9816 1.7738 0.9604 0.0005 -0.0528 -0.0361 80 THR C CA 13341 C C . THR C 77 ? 1.0018 1.8177 1.0049 0.0592 -0.0506 -0.0355 80 THR C C 13342 O O . THR C 77 ? 1.0728 1.9340 1.1138 0.0882 -0.0347 -0.0415 80 THR C O 13343 C CB . THR C 77 ? 0.9747 1.8695 0.9921 -0.0280 -0.0505 -0.0350 80 THR C CB 13344 O OG1 . THR C 77 ? 0.9915 1.9838 1.0375 -0.0317 -0.0695 -0.0303 80 THR C OG1 13345 C CG2 . THR C 77 ? 1.0071 1.8697 1.0019 -0.0864 -0.0514 -0.0305 80 THR C CG2 13346 N N . ASP C 78 ? 0.9257 1.7113 0.9076 0.0771 -0.0657 -0.0283 81 ASP C N 13347 C CA . ASP C 78 ? 0.8428 1.6448 0.8475 0.1324 -0.0669 -0.0208 81 ASP C CA 13348 C C . ASP C 78 ? 0.8109 1.5030 0.7797 0.1582 -0.0563 -0.0199 81 ASP C C 13349 O O . ASP C 78 ? 0.7932 1.4186 0.7140 0.1371 -0.0627 -0.0186 81 ASP C O 13350 C CB . ASP C 78 ? 0.8563 1.7248 0.8674 0.1332 -0.0951 -0.0062 81 ASP C CB 13351 C CG . ASP C 78 ? 0.8593 1.8457 0.9089 0.1046 -0.1068 -0.0063 81 ASP C CG 13352 O OD1 . ASP C 78 ? 0.8449 1.8854 0.9360 0.1095 -0.0904 -0.0142 81 ASP C OD1 13353 O OD2 . ASP C 78 ? 0.8669 1.8962 0.9046 0.0745 -0.1317 0.0004 81 ASP C OD2 13354 N N . TRP C 79 ? 0.7992 1.4735 0.7922 0.2020 -0.0388 -0.0228 82 TRP C N 13355 C CA . TRP C 79 ? 0.8139 1.3901 0.7783 0.2264 -0.0285 -0.0203 82 TRP C CA 13356 C C . TRP C 79 ? 0.8627 1.4374 0.8253 0.2599 -0.0443 0.0009 82 TRP C C 13357 O O . TRP C 79 ? 0.7541 1.4015 0.7585 0.2876 -0.0546 0.0112 82 TRP C O 13358 C CB . TRP C 79 ? 0.6999 1.2502 0.6880 0.2529 -0.0023 -0.0349 82 TRP C CB 13359 C CG . TRP C 79 ? 0.6755 1.2037 0.6500 0.2199 0.0136 -0.0509 82 TRP C CG 13360 C CD1 . TRP C 79 ? 0.6551 1.2487 0.6544 0.1998 0.0213 -0.0624 82 TRP C CD1 13361 C CD2 . TRP C 79 ? 0.7246 1.1651 0.6592 0.2032 0.0232 -0.0539 82 TRP C CD2 13362 N NE1 . TRP C 79 ? 0.7697 1.3198 0.7450 0.1714 0.0334 -0.0694 82 TRP C NE1 13363 C CE2 . TRP C 79 ? 0.6502 1.1071 0.5882 0.1745 0.0344 -0.0647 82 TRP C CE2 13364 C CE3 . TRP C 79 ? 0.6872 1.0432 0.5850 0.2095 0.0235 -0.0467 82 TRP C CE3 13365 C CZ2 . TRP C 79 ? 0.6430 1.0348 0.5523 0.1549 0.0439 -0.0669 82 TRP C CZ2 13366 C CZ3 . TRP C 79 ? 0.8087 1.1024 0.6797 0.1899 0.0352 -0.0524 82 TRP C CZ3 13367 C CH2 . TRP C 79 ? 0.7605 1.0723 0.6389 0.1643 0.0443 -0.0616 82 TRP C CH2 13368 N N . ALA C 80 ? 0.8895 1.3856 0.8049 0.2576 -0.0463 0.0094 83 ALA C N 13369 C CA . ALA C 80 ? 0.9130 1.4010 0.8164 0.2842 -0.0615 0.0342 83 ALA C CA 13370 C C . ALA C 80 ? 0.9560 1.3456 0.8328 0.3030 -0.0457 0.0392 83 ALA C C 13371 O O . ALA C 80 ? 0.9264 1.2538 0.7797 0.2843 -0.0280 0.0231 83 ALA C O 13372 C CB . ALA C 80 ? 0.9046 1.4163 0.7672 0.2513 -0.0860 0.0427 83 ALA C CB 13373 N N . SER C 81 ? 1.0168 1.3959 0.8997 0.3394 -0.0530 0.0646 84 SER C N 13374 C CA . SER C 81 ? 1.0699 1.3597 0.9294 0.3565 -0.0398 0.0750 84 SER C CA 13375 C C . SER C 81 ? 1.0791 1.3688 0.9127 0.3695 -0.0599 0.1105 84 SER C C 13376 O O . SER C 81 ? 1.0720 1.4234 0.9353 0.3944 -0.0792 0.1330 84 SER C O 13377 C CB . SER C 81 ? 1.1401 1.4016 1.0453 0.3946 -0.0204 0.0692 84 SER C CB 13378 O OG . SER C 81 ? 1.2339 1.4129 1.1193 0.4111 -0.0114 0.0853 84 SER C OG 13379 N N . THR C 82 ? 1.1079 1.3349 0.8875 0.3526 -0.0552 0.1169 85 THR C N 13380 C CA . THR C 82 ? 1.1803 1.4032 0.9255 0.3599 -0.0717 0.1518 85 THR C CA 13381 C C . THR C 82 ? 1.2065 1.3415 0.9345 0.3744 -0.0537 0.1662 85 THR C C 13382 O O . THR C 82 ? 1.1651 1.2414 0.8787 0.3582 -0.0308 0.1436 85 THR C O 13383 C CB . THR C 82 ? 1.2018 1.4458 0.8888 0.3180 -0.0844 0.1450 85 THR C CB 13384 O OG1 . THR C 82 ? 1.2412 1.4257 0.8970 0.2888 -0.0626 0.1155 85 THR C OG1 13385 C CG2 . THR C 82 ? 1.1513 1.4841 0.8549 0.2998 -0.1050 0.1337 85 THR C CG2 13386 N N . ASP C 83 ? 1.2494 1.3782 0.9810 0.4038 -0.0651 0.2068 86 ASP C N 13387 C CA . ASP C 83 ? 1.2684 1.3151 0.9842 0.4157 -0.0504 0.2275 86 ASP C CA 13388 C C . ASP C 83 ? 1.2843 1.3154 0.9303 0.3870 -0.0537 0.2430 86 ASP C C 13389 O O . ASP C 83 ? 1.3427 1.4306 0.9584 0.3758 -0.0766 0.2595 86 ASP C O 13390 C CB . ASP C 83 ? 1.3384 1.3781 1.0953 0.4626 -0.0601 0.2674 86 ASP C CB 13391 C CG . ASP C 83 ? 1.3873 1.4006 1.2084 0.4931 -0.0427 0.2464 86 ASP C CG 13392 O OD1 . ASP C 83 ? 1.3618 1.4028 1.2036 0.4811 -0.0327 0.2054 86 ASP C OD1 13393 O OD2 . ASP C 83 ? 1.4483 1.4119 1.2979 0.5277 -0.0384 0.2705 86 ASP C OD2 13394 N N . TRP C 84 ? 1.2558 1.2152 0.8764 0.3736 -0.0303 0.2361 87 TRP C N 13395 C CA . TRP C 84 ? 1.2624 1.2043 0.8185 0.3464 -0.0266 0.2460 87 TRP C CA 13396 C C . TRP C 84 ? 1.2582 1.1282 0.8076 0.3560 -0.0106 0.2734 87 TRP C C 13397 O O . TRP C 84 ? 1.2221 1.0450 0.8149 0.3775 0.0015 0.2733 87 TRP C O 13398 C CB . TRP C 84 ? 1.2540 1.1890 0.7822 0.3104 -0.0104 0.2014 87 TRP C CB 13399 C CG . TRP C 84 ? 1.2628 1.2599 0.7888 0.2923 -0.0254 0.1751 87 TRP C CG 13400 C CD1 . TRP C 84 ? 1.2278 1.2591 0.7999 0.2984 -0.0311 0.1552 87 TRP C CD1 13401 C CD2 . TRP C 84 ? 1.3254 1.3569 0.7995 0.2617 -0.0352 0.1637 87 TRP C CD2 13402 N NE1 . TRP C 84 ? 1.2138 1.2968 0.7675 0.2718 -0.0451 0.1357 87 TRP C NE1 13403 C CE2 . TRP C 84 ? 1.2900 1.3708 0.7835 0.2491 -0.0479 0.1383 87 TRP C CE2 13404 C CE3 . TRP C 84 ? 1.3994 1.4262 0.8113 0.2418 -0.0333 0.1706 87 TRP C CE3 13405 C CZ2 . TRP C 84 ? 1.3539 1.4718 0.8076 0.2165 -0.0596 0.1185 87 TRP C CZ2 13406 C CZ3 . TRP C 84 ? 1.4289 1.4960 0.7999 0.2115 -0.0436 0.1477 87 TRP C CZ3 13407 C CH2 . TRP C 84 ? 1.4152 1.5236 0.8076 0.1987 -0.0570 0.1214 87 TRP C CH2 13408 N N . THR C 85 ? 1.3142 1.1773 0.8073 0.3372 -0.0098 0.2954 88 THR C N 13409 C CA . THR C 85 ? 1.3517 1.1498 0.8305 0.3364 0.0074 0.3212 88 THR C CA 13410 C C . THR C 85 ? 1.3829 1.1703 0.8107 0.3002 0.0278 0.2991 88 THR C C 13411 O O . THR C 85 ? 1.4094 1.2428 0.7907 0.2794 0.0204 0.2910 88 THR C O 13412 C CB . THR C 85 ? 1.3990 1.2020 0.8620 0.3527 -0.0115 0.3827 88 THR C CB 13413 O OG1 . THR C 85 ? 1.4603 1.3290 0.8679 0.3332 -0.0295 0.3941 88 THR C OG1 13414 C CG2 . THR C 85 ? 1.3919 1.2038 0.9146 0.3950 -0.0305 0.4053 88 THR C CG2 13415 N N . PHE C 86 ? 1.3796 1.1097 0.8183 0.2926 0.0540 0.2864 89 PHE C N 13416 C CA . PHE C 86 ? 1.3684 1.0890 0.7698 0.2626 0.0766 0.2650 89 PHE C CA 13417 C C . PHE C 86 ? 1.4449 1.1337 0.8160 0.2538 0.0877 0.3043 89 PHE C C 13418 O O . PHE C 86 ? 1.4970 1.1365 0.8956 0.2669 0.0912 0.3312 89 PHE C O 13419 C CB . PHE C 86 ? 1.3256 1.0165 0.7619 0.2565 0.0979 0.2235 89 PHE C CB 13420 C CG . PHE C 86 ? 1.2895 1.0138 0.7455 0.2556 0.0912 0.1835 89 PHE C CG 13421 C CD1 . PHE C 86 ? 1.3139 1.0877 0.7673 0.2626 0.0670 0.1846 89 PHE C CD1 13422 C CD2 . PHE C 86 ? 1.2374 0.9470 0.7150 0.2453 0.1084 0.1475 89 PHE C CD2 13423 C CE1 . PHE C 86 ? 1.2757 1.0789 0.7475 0.2573 0.0615 0.1501 89 PHE C CE1 13424 C CE2 . PHE C 86 ? 1.2170 0.9546 0.7120 0.2422 0.1021 0.1160 89 PHE C CE2 13425 C CZ . PHE C 86 ? 1.2388 1.0212 0.7307 0.2469 0.0793 0.1169 89 PHE C CZ 13426 N N . THR C 87 ? 1.4454 1.1614 0.7601 0.2300 0.0945 0.3064 90 THR C N 13427 C CA . THR C 87 ? 1.4484 1.1436 0.7292 0.2149 0.1089 0.3414 90 THR C CA 13428 C C . THR C 87 ? 1.4267 1.1129 0.6988 0.1914 0.1400 0.3058 90 THR C C 13429 O O . THR C 87 ? 1.4385 1.1630 0.6774 0.1760 0.1472 0.2753 90 THR C O 13430 C CB . THR C 87 ? 1.4641 1.2080 0.6842 0.2055 0.0935 0.3755 90 THR C CB 13431 O OG1 . THR C 87 ? 1.4731 1.2338 0.7090 0.2305 0.0618 0.4093 90 THR C OG1 13432 C CG2 . THR C 87 ? 1.5326 1.2572 0.7178 0.1883 0.1086 0.4178 90 THR C CG2 13433 N N . LEU C 88 ? 1.3991 1.0358 0.7036 0.1890 0.1583 0.3083 91 LEU C N 13434 C CA . LEU C 88 ? 1.3703 1.0021 0.6812 0.1703 0.1862 0.2749 91 LEU C CA 13435 C C . LEU C 88 ? 1.4285 1.0643 0.7002 0.1464 0.2064 0.3000 91 LEU C C 13436 O O . LEU C 88 ? 1.5110 1.1159 0.7789 0.1429 0.2059 0.3451 91 LEU C O 13437 C CB . LEU C 88 ? 1.3225 0.9089 0.6915 0.1766 0.1943 0.2592 91 LEU C CB 13438 C CG . LEU C 88 ? 1.2916 0.8855 0.6992 0.1933 0.1828 0.2222 91 LEU C CG 13439 C CD1 . LEU C 88 ? 1.3245 0.9116 0.7507 0.2189 0.1578 0.2414 91 LEU C CD1 13440 C CD2 . LEU C 88 ? 1.2939 0.8611 0.7453 0.1882 0.1986 0.1962 91 LEU C CD2 13441 N N . ASP C 89 ? 1.4200 1.0935 0.6645 0.1301 0.2251 0.2710 92 ASP C N 13442 C CA . ASP C 89 ? 1.4976 1.1874 0.7077 0.1058 0.2498 0.2860 92 ASP C CA 13443 C C . ASP C 89 ? 1.4031 1.1056 0.6365 0.0977 0.2763 0.2411 92 ASP C C 13444 O O . ASP C 89 ? 1.3632 1.1015 0.5796 0.0978 0.2834 0.2040 92 ASP C O 13445 C CB . ASP C 89 ? 1.5406 1.2807 0.6829 0.0955 0.2459 0.2990 92 ASP C CB 13446 C CG . ASP C 89 ? 1.6559 1.4239 0.7604 0.0690 0.2749 0.3097 92 ASP C CG 13447 O OD1 . ASP C 89 ? 1.7008 1.4423 0.8294 0.0574 0.2922 0.3278 92 ASP C OD1 13448 O OD2 . ASP C 89 ? 1.6891 1.5088 0.7392 0.0577 0.2813 0.2982 92 ASP C OD2 13449 N N . GLY C 90 ? 1.3309 1.0037 0.6052 0.0907 0.2903 0.2446 93 GLY C N 13450 C CA . GLY C 90 ? 1.2850 0.9741 0.5896 0.0846 0.3129 0.2078 93 GLY C CA 13451 C C . GLY C 90 ? 1.3418 1.0342 0.6765 0.1034 0.3029 0.1649 93 GLY C C 13452 O O . GLY C 90 ? 1.3635 1.0258 0.7347 0.1155 0.2868 0.1615 93 GLY C O 13453 N N . ALA C 91 ? 1.2681 0.9962 0.5873 0.1053 0.3131 0.1318 94 ALA C N 13454 C CA . ALA C 91 ? 1.1742 0.9029 0.5180 0.1207 0.3034 0.0939 94 ALA C CA 13455 C C . ALA C 91 ? 1.1752 0.9089 0.4880 0.1292 0.2799 0.0884 94 ALA C C 13456 O O . ALA C 91 ? 1.1343 0.8620 0.4701 0.1401 0.2663 0.0646 94 ALA C O 13457 C CB . ALA C 91 ? 1.1467 0.9035 0.4989 0.1202 0.3273 0.0588 94 ALA C CB 13458 N N . LYS C 92 ? 1.2274 0.9767 0.4888 0.1222 0.2740 0.1118 95 LYS C N 13459 C CA . LYS C 92 ? 1.2674 1.0328 0.4960 0.1265 0.2507 0.1078 95 LYS C CA 13460 C C . LYS C 92 ? 1.3017 1.0467 0.5486 0.1393 0.2222 0.1384 95 LYS C C 13461 O O . LYS C 92 ? 1.3655 1.0844 0.6278 0.1414 0.2214 0.1736 95 LYS C O 13462 C CB . LYS C 92 ? 1.3667 1.1693 0.5279 0.1113 0.2565 0.1184 95 LYS C CB 13463 C CG . LYS C 92 ? 1.3788 1.2077 0.5190 0.1011 0.2865 0.0806 95 LYS C CG 13464 C CD . LYS C 92 ? 1.4662 1.3410 0.5393 0.0831 0.2902 0.0853 95 LYS C CD 13465 C CE . LYS C 92 ? 1.5493 1.4322 0.6006 0.0703 0.2930 0.1399 95 LYS C CE 13466 N NZ . LYS C 92 ? 1.5878 1.5283 0.5847 0.0457 0.2925 0.1451 95 LYS C NZ 13467 N N . VAL C 93 ? 1.2890 1.0460 0.5373 0.1478 0.1994 0.1235 96 VAL C N 13468 C CA . VAL C 93 ? 1.2840 1.0337 0.5529 0.1634 0.1719 0.1479 96 VAL C CA 13469 C C . VAL C 93 ? 1.3272 1.1183 0.5560 0.1608 0.1488 0.1505 96 VAL C C 13470 O O . VAL C 93 ? 1.2982 1.1111 0.5131 0.1524 0.1469 0.1136 96 VAL C O 13471 C CB . VAL C 93 ? 1.1555 0.8860 0.4823 0.1763 0.1660 0.1250 96 VAL C CB 13472 C CG1 . VAL C 93 ? 1.1538 0.8896 0.5007 0.1938 0.1385 0.1441 96 VAL C CG1 13473 C CG2 . VAL C 93 ? 1.1921 0.8868 0.5574 0.1769 0.1850 0.1260 96 VAL C CG2 13474 N N . THR C 94 ? 1.3883 1.1903 0.5999 0.1672 0.1304 0.1948 97 THR C N 13475 C CA . THR C 94 ? 1.4130 1.2630 0.5907 0.1656 0.1034 0.2045 97 THR C CA 13476 C C . THR C 94 ? 1.4503 1.3004 0.6757 0.1896 0.0770 0.2207 97 THR C C 13477 O O . THR C 94 ? 1.4894 1.3250 0.7311 0.2072 0.0663 0.2651 97 THR C O 13478 C CB . THR C 94 ? 1.4138 1.2892 0.5351 0.1553 0.0996 0.2473 97 THR C CB 13479 O OG1 . THR C 94 ? 1.4440 1.3208 0.5265 0.1338 0.1293 0.2313 97 THR C OG1 13480 C CG2 . THR C 94 ? 1.4352 1.3717 0.5160 0.1484 0.0716 0.2511 97 THR C CG2 13481 N N . ALA C 95 ? 1.4316 1.2973 0.6813 0.1906 0.0678 0.1847 98 ALA C N 13482 C CA . ALA C 95 ? 1.4333 1.3121 0.7294 0.2118 0.0447 0.1938 98 ALA C CA 13483 C C . ALA C 95 ? 1.5061 1.4466 0.7751 0.2108 0.0140 0.2142 98 ALA C C 13484 O O . ALA C 95 ? 1.5451 1.5220 0.7623 0.1871 0.0100 0.1991 98 ALA C O 13485 C CB . ALA C 95 ? 1.3782 1.2531 0.7127 0.2094 0.0486 0.1494 98 ALA C CB 13486 N N . THR C 96 ? 1.5426 1.4980 0.8484 0.2370 -0.0076 0.2471 99 THR C N 13487 C CA . THR C 96 ? 1.6253 1.6490 0.9120 0.2382 -0.0397 0.2711 99 THR C CA 13488 C C . THR C 96 ? 1.6586 1.7035 1.0091 0.2702 -0.0603 0.2877 99 THR C C 13489 O O . THR C 96 ? 1.6699 1.6689 1.0700 0.2970 -0.0506 0.2987 99 THR C O 13490 C CB . THR C 96 ? 1.6946 1.7310 0.9318 0.2360 -0.0475 0.3212 99 THR C CB 13491 O OG1 . THR C 96 ? 1.7313 1.8380 0.9623 0.2440 -0.0830 0.3537 99 THR C OG1 13492 C CG2 . THR C 96 ? 1.6925 1.6655 0.9549 0.2586 -0.0345 0.3609 99 THR C CG2 13493 N N . LEU C 97 ? 1.6705 1.7888 1.0199 0.2653 -0.0876 0.2856 100 LEU C N 13494 C CA . LEU C 97 ? 1.6363 1.7976 1.0435 0.2958 -0.1110 0.3060 100 LEU C CA 13495 C C . LEU C 97 ? 1.6167 1.8620 0.9946 0.2911 -0.1456 0.3384 100 LEU C C 13496 O O . LEU C 97 ? 1.6239 1.9207 0.9626 0.2572 -0.1565 0.3121 100 LEU C O 13497 C CB . LEU C 97 ? 1.6168 1.7948 1.0688 0.2915 -0.1080 0.2609 100 LEU C CB 13498 C CG . LEU C 97 ? 1.6264 1.8826 1.1268 0.3092 -0.1354 0.2706 100 LEU C CG 13499 C CD1 . LEU C 97 ? 1.6678 1.9204 1.2223 0.3588 -0.1433 0.3147 100 LEU C CD1 13500 C CD2 . LEU C 97 ? 1.5342 1.8022 1.0717 0.2970 -0.1272 0.2244 100 LEU C CD2 13501 N N . GLY C 98 ? 1.6107 1.8690 1.0079 0.3240 -0.1634 0.3956 101 GLY C N 13502 C CA . GLY C 98 ? 1.6101 1.9531 0.9806 0.3223 -0.1990 0.4360 101 GLY C CA 13503 C C . GLY C 98 ? 1.6194 1.9806 0.8999 0.2804 -0.1993 0.4341 101 GLY C C 13504 O O . GLY C 98 ? 1.6635 1.9782 0.9084 0.2772 -0.1856 0.4598 101 GLY C O 13505 N N . GLN C 99 ? 1.5910 2.0178 0.8364 0.2442 -0.2128 0.3991 102 GLN C N 13506 C CA . GLN C 99 ? 1.6052 2.0414 0.7748 0.1968 -0.2083 0.3782 102 GLN C CA 13507 C C . GLN C 99 ? 1.5613 1.9588 0.6908 0.1686 -0.1784 0.3169 102 GLN C C 13508 O O . GLN C 99 ? 1.5537 1.9363 0.6233 0.1365 -0.1636 0.2977 102 GLN C O 13509 C CB . GLN C 99 ? 1.6405 2.1643 0.7977 0.1693 -0.2410 0.3740 102 GLN C CB 13510 C CG . GLN C 99 ? 1.7164 2.2837 0.9031 0.1926 -0.2706 0.4353 102 GLN C CG 13511 C CD . GLN C 99 ? 1.7945 2.4539 0.9711 0.1657 -0.3022 0.4295 102 GLN C CD 13512 O OE1 . GLN C 99 ? 1.8029 2.4950 0.9666 0.1338 -0.3044 0.3794 102 GLN C OE1 13513 N NE2 . GLN C 99 ? 1.8630 2.5626 1.0461 0.1773 -0.3265 0.4809 102 GLN C NE2 13514 N N . LEU C 100 ? 1.5191 1.8823 0.7017 0.1739 -0.1651 0.2768 103 LEU C N 13515 C CA . LEU C 100 ? 1.5277 1.8408 0.6927 0.1465 -0.1362 0.2159 103 LEU C CA 13516 C C . LEU C 100 ? 1.5594 1.7883 0.7213 0.1572 -0.1009 0.2169 103 LEU C C 13517 O O . LEU C 100 ? 1.5746 1.7612 0.7856 0.1892 -0.0929 0.2426 103 LEU C O 13518 C CB . LEU C 100 ? 1.4618 1.7713 0.6853 0.1474 -0.1360 0.1802 103 LEU C CB 13519 C CG . LEU C 100 ? 1.4549 1.8295 0.6644 0.1134 -0.1577 0.1481 103 LEU C CG 13520 C CD1 . LEU C 100 ? 1.3485 1.7106 0.6164 0.1122 -0.1527 0.1161 103 LEU C CD1 13521 C CD2 . LEU C 100 ? 1.5000 1.8674 0.6339 0.0713 -0.1475 0.1087 103 LEU C CD2 13522 N N . THR C 101 ? 1.5939 1.8008 0.6999 0.1295 -0.0791 0.1863 104 THR C N 13523 C CA . THR C 101 ? 1.6365 1.7742 0.7379 0.1345 -0.0443 0.1827 104 THR C CA 13524 C C . THR C 101 ? 1.6549 1.7531 0.7572 0.1161 -0.0183 0.1215 104 THR C C 13525 O O . THR C 101 ? 1.6897 1.8127 0.7688 0.0908 -0.0243 0.0815 104 THR C O 13526 C CB . THR C 101 ? 1.7130 1.8642 0.7478 0.1221 -0.0378 0.2096 104 THR C CB 13527 O OG1 . THR C 101 ? 1.7979 1.9954 0.7679 0.0871 -0.0413 0.1751 104 THR C OG1 13528 C CG2 . THR C 101 ? 1.7579 1.9420 0.7946 0.1424 -0.0644 0.2787 104 THR C CG2 13529 N N . GLN C 102 ? 1.6276 1.6635 0.7584 0.1285 0.0100 0.1157 105 GLN C N 13530 C CA . GLN C 102 ? 1.5834 1.5784 0.7249 0.1176 0.0352 0.0654 105 GLN C CA 13531 C C . GLN C 102 ? 1.5637 1.5123 0.7040 0.1237 0.0673 0.0700 105 GLN C C 13532 O O . GLN C 102 ? 1.5740 1.4959 0.7476 0.1437 0.0715 0.1025 105 GLN C O 13533 C CB . GLN C 102 ? 1.5659 1.5437 0.7717 0.1284 0.0297 0.0500 105 GLN C CB 13534 C CG . GLN C 102 ? 1.5945 1.5332 0.8138 0.1170 0.0510 0.0033 105 GLN C CG 13535 C CD . GLN C 102 ? 1.5754 1.5012 0.8563 0.1264 0.0457 -0.0043 105 GLN C CD 13536 O OE1 . GLN C 102 ? 1.5931 1.4966 0.8885 0.1150 0.0544 -0.0376 105 GLN C OE1 13537 N NE2 . GLN C 102 ? 1.5496 1.4895 0.8676 0.1476 0.0319 0.0273 105 GLN C NE2 13538 N N . ASN C 103 ? 1.5606 1.5009 0.6644 0.1059 0.0906 0.0355 106 ASN C N 13539 C CA . ASN C 103 ? 1.5203 1.4290 0.6215 0.1085 0.1229 0.0359 106 ASN C CA 13540 C C . ASN C 103 ? 1.4777 1.3436 0.6264 0.1144 0.1427 0.0008 106 ASN C C 13541 O O . ASN C 103 ? 1.4780 1.3396 0.6280 0.1051 0.1434 -0.0403 106 ASN C O 13542 C CB . ASN C 103 ? 1.5404 1.4755 0.5735 0.0878 0.1392 0.0204 106 ASN C CB 13543 C CG . ASN C 103 ? 1.5912 1.5760 0.5712 0.0789 0.1189 0.0593 106 ASN C CG 13544 O OD1 . ASN C 103 ? 1.6043 1.5911 0.6013 0.0934 0.1018 0.1107 106 ASN C OD1 13545 N ND2 . ASN C 103 ? 1.6126 1.6381 0.5279 0.0550 0.1204 0.0351 106 ASN C ND2 13546 N N . ARG C 104 ? 1.4231 1.2575 0.6107 0.1284 0.1576 0.0186 107 ARG C N 13547 C CA . ARG C 104 ? 1.3204 1.1210 0.5549 0.1347 0.1752 -0.0067 107 ARG C CA 13548 C C . ARG C 104 ? 1.3075 1.0936 0.5462 0.1362 0.2040 0.0017 107 ARG C C 13549 O O . ARG C 104 ? 1.3464 1.1393 0.5637 0.1343 0.2077 0.0351 107 ARG C O 13550 C CB . ARG C 104 ? 1.2434 1.0276 0.5349 0.1487 0.1599 0.0041 107 ARG C CB 13551 C CG . ARG C 104 ? 1.2351 1.0403 0.5321 0.1468 0.1326 -0.0035 107 ARG C CG 13552 C CD . ARG C 104 ? 1.1856 0.9760 0.5402 0.1560 0.1270 -0.0094 107 ARG C CD 13553 N NE . ARG C 104 ? 1.0516 0.8684 0.4125 0.1505 0.1029 -0.0181 107 ARG C NE 13554 C CZ . ARG C 104 ? 1.1215 0.9344 0.5208 0.1491 0.0978 -0.0331 107 ARG C CZ 13555 N NH1 . ARG C 104 ? 1.0900 0.8741 0.5235 0.1541 0.1139 -0.0402 107 ARG C NH1 13556 N NH2 . ARG C 104 ? 1.1501 0.9935 0.5536 0.1403 0.0761 -0.0391 107 ARG C NH2 13557 N N . GLU C 105 ? 1.2970 1.0651 0.5659 0.1389 0.2238 -0.0262 108 GLU C N 13558 C CA . GLU C 105 ? 1.2750 1.0355 0.5610 0.1407 0.2507 -0.0199 108 GLU C CA 13559 C C . GLU C 105 ? 1.2311 0.9702 0.5767 0.1502 0.2559 -0.0346 108 GLU C C 13560 O O . GLU C 105 ? 1.2362 0.9689 0.5946 0.1526 0.2581 -0.0658 108 GLU C O 13561 C CB . GLU C 105 ? 1.2750 1.0560 0.5225 0.1319 0.2768 -0.0412 108 GLU C CB 13562 C CG . GLU C 105 ? 1.2955 1.0801 0.5639 0.1326 0.3060 -0.0348 108 GLU C CG 13563 C CD . GLU C 105 ? 1.4284 1.2498 0.6823 0.1218 0.3260 -0.0597 108 GLU C CD 13564 O OE1 . GLU C 105 ? 1.4916 1.3309 0.7097 0.1133 0.3196 -0.0826 108 GLU C OE1 13565 O OE2 . GLU C 105 ? 1.4394 1.2772 0.7201 0.1204 0.3478 -0.0582 108 GLU C OE2 13566 N N . VAL C 106 ? 1.1733 0.9007 0.5542 0.1542 0.2572 -0.0115 109 VAL C N 13567 C CA . VAL C 106 ? 1.1078 0.8241 0.5425 0.1603 0.2625 -0.0217 109 VAL C CA 13568 C C . VAL C 106 ? 1.1301 0.8579 0.5727 0.1601 0.2901 -0.0385 109 VAL C C 13569 O O . VAL C 106 ? 1.2031 0.9432 0.6391 0.1541 0.3083 -0.0249 109 VAL C O 13570 C CB . VAL C 106 ? 1.0438 0.7477 0.5092 0.1608 0.2579 0.0035 109 VAL C CB 13571 C CG1 . VAL C 106 ? 0.9388 0.6402 0.4554 0.1641 0.2599 -0.0081 109 VAL C CG1 13572 C CG2 . VAL C 106 ? 0.9910 0.6858 0.4487 0.1654 0.2336 0.0207 109 VAL C CG2 13573 N N . VAL C 107 ? 1.1083 0.8328 0.5677 0.1670 0.2938 -0.0673 110 VAL C N 13574 C CA . VAL C 107 ? 1.1371 0.8779 0.6178 0.1702 0.3159 -0.0851 110 VAL C CA 13575 C C . VAL C 107 ? 1.0556 0.7999 0.5957 0.1776 0.3211 -0.0802 110 VAL C C 13576 O O . VAL C 107 ? 1.0276 0.7942 0.5969 0.1816 0.3371 -0.0891 110 VAL C O 13577 C CB . VAL C 107 ? 1.0447 0.7826 0.5211 0.1715 0.3132 -0.1190 110 VAL C CB 13578 C CG1 . VAL C 107 ? 1.0947 0.8402 0.5086 0.1601 0.3093 -0.1266 110 VAL C CG1 13579 C CG2 . VAL C 107 ? 1.0180 0.7280 0.5195 0.1774 0.2955 -0.1272 110 VAL C CG2 13580 N N . TYR C 108 ? 0.9377 0.6681 0.4989 0.1790 0.3066 -0.0666 111 TYR C N 13581 C CA . TYR C 108 ? 0.9779 0.7194 0.5920 0.1823 0.3091 -0.0601 111 TYR C CA 13582 C C . TYR C 108 ? 0.9853 0.7206 0.6123 0.1741 0.2906 -0.0417 111 TYR C C 13583 O O . TYR C 108 ? 1.0047 0.7239 0.6154 0.1732 0.2717 -0.0406 111 TYR C O 13584 C CB . TYR C 108 ? 0.9750 0.7107 0.6217 0.1945 0.3057 -0.0762 111 TYR C CB 13585 C CG . TYR C 108 ? 0.9693 0.7230 0.6693 0.1975 0.3039 -0.0644 111 TYR C CG 13586 C CD1 . TYR C 108 ? 0.9422 0.7256 0.6744 0.2042 0.3232 -0.0627 111 TYR C CD1 13587 C CD2 . TYR C 108 ? 0.9208 0.6705 0.6395 0.1922 0.2822 -0.0545 111 TYR C CD2 13588 C CE1 . TYR C 108 ? 0.9063 0.7154 0.6877 0.2049 0.3186 -0.0495 111 TYR C CE1 13589 C CE2 . TYR C 108 ? 0.8495 0.6233 0.6127 0.1915 0.2789 -0.0430 111 TYR C CE2 13590 C CZ . TYR C 108 ? 0.8715 0.6753 0.6659 0.1976 0.2958 -0.0395 111 TYR C CZ 13591 O OH . TYR C 108 ? 0.9115 0.7477 0.7503 0.1955 0.2900 -0.0258 111 TYR C OH 13592 N N . ASP C 109 ? 0.9881 0.7393 0.6455 0.1675 0.2967 -0.0296 112 ASP C N 13593 C CA . ASP C 109 ? 0.9545 0.6996 0.6260 0.1585 0.2829 -0.0180 112 ASP C CA 13594 C C . ASP C 109 ? 0.9179 0.6895 0.6354 0.1538 0.2853 -0.0162 112 ASP C C 13595 O O . ASP C 109 ? 0.9168 0.7134 0.6513 0.1505 0.3020 -0.0132 112 ASP C O 13596 C CB . ASP C 109 ? 1.0088 0.7401 0.6567 0.1477 0.2875 -0.0020 112 ASP C CB 13597 C CG . ASP C 109 ? 1.0332 0.7491 0.6951 0.1409 0.2747 0.0047 112 ASP C CG 13598 O OD1 . ASP C 109 ? 1.0817 0.7984 0.7584 0.1461 0.2594 -0.0039 112 ASP C OD1 13599 O OD2 . ASP C 109 ? 0.9798 0.6823 0.6379 0.1295 0.2811 0.0176 112 ASP C OD2 13600 N N . SER C 110 ? 0.8702 0.6442 0.6078 0.1522 0.2687 -0.0174 113 SER C N 13601 C CA . SER C 110 ? 0.8371 0.6438 0.6156 0.1457 0.2676 -0.0142 113 SER C CA 13602 C C . SER C 110 ? 0.8444 0.6636 0.6315 0.1274 0.2770 -0.0075 113 SER C C 13603 O O . SER C 110 ? 0.7644 0.5579 0.5271 0.1199 0.2815 -0.0038 113 SER C O 13604 C CB . SER C 110 ? 0.8225 0.6333 0.6133 0.1434 0.2480 -0.0161 113 SER C CB 13605 O OG . SER C 110 ? 0.8406 0.6353 0.6171 0.1347 0.2409 -0.0185 113 SER C OG 13606 N N . GLN C 111 ? 0.8858 0.7457 0.7094 0.1189 0.2789 -0.0040 114 GLN C N 13607 C CA . GLN C 111 ? 0.9381 0.8160 0.7733 0.0969 0.2885 0.0007 114 GLN C CA 13608 C C . GLN C 111 ? 0.9165 0.7669 0.7390 0.0799 0.2804 -0.0042 114 GLN C C 13609 O O . GLN C 111 ? 0.9506 0.7858 0.7659 0.0625 0.2898 -0.0010 114 GLN C O 13610 C CB . GLN C 111 ? 1.0645 1.0015 0.9440 0.0902 0.2884 0.0055 114 GLN C CB 13611 C CG . GLN C 111 ? 1.2398 1.2062 1.1349 0.0648 0.3003 0.0102 114 GLN C CG 13612 C CD . GLN C 111 ? 1.3324 1.3682 1.2741 0.0576 0.2970 0.0167 114 GLN C CD 13613 O OE1 . GLN C 111 ? 1.3723 1.4304 1.3330 0.0691 0.2825 0.0195 114 GLN C OE1 13614 N NE2 . GLN C 111 ? 1.3809 1.4554 1.3422 0.0372 0.3095 0.0221 114 GLN C NE2 13615 N N . SER C 112 ? 0.8784 0.7213 0.6995 0.0843 0.2644 -0.0124 115 SER C N 13616 C CA . SER C 112 ? 0.8829 0.7013 0.6958 0.0724 0.2584 -0.0222 115 SER C CA 13617 C C . SER C 112 ? 0.9117 0.6834 0.6960 0.0888 0.2532 -0.0236 115 SER C C 13618 O O . SER C 112 ? 0.9550 0.7063 0.7363 0.0865 0.2475 -0.0335 115 SER C O 13619 C CB . SER C 112 ? 0.8439 0.6980 0.6766 0.0633 0.2458 -0.0323 115 SER C CB 13620 O OG . SER C 112 ? 0.8224 0.7273 0.6827 0.0469 0.2479 -0.0280 115 SER C OG 13621 N N . HIS C 113 ? 0.8908 0.6489 0.6552 0.1053 0.2553 -0.0154 116 HIS C N 13622 C CA . HIS C 113 ? 0.8972 0.6212 0.6343 0.1203 0.2481 -0.0136 116 HIS C CA 13623 C C . HIS C 113 ? 0.8929 0.6245 0.6362 0.1283 0.2319 -0.0244 116 HIS C C 13624 O O . HIS C 113 ? 0.8843 0.5950 0.6183 0.1362 0.2248 -0.0266 116 HIS C O 13625 C CB . HIS C 113 ? 0.8830 0.5674 0.6059 0.1155 0.2532 -0.0057 116 HIS C CB 13626 C CG . HIS C 113 ? 0.9291 0.6105 0.6504 0.0994 0.2698 0.0059 116 HIS C CG 13627 N ND1 . HIS C 113 ? 0.9797 0.6688 0.6826 0.1021 0.2804 0.0176 116 HIS C ND1 13628 C CD2 . HIS C 113 ? 0.9622 0.6372 0.6977 0.0774 0.2785 0.0063 116 HIS C CD2 13629 C CE1 . HIS C 113 ? 1.0191 0.7109 0.7265 0.0832 0.2954 0.0273 116 HIS C CE1 13630 N NE2 . HIS C 113 ? 0.9966 0.6781 0.7242 0.0667 0.2937 0.0213 116 HIS C NE2 13631 N N . HIS C 114 ? 0.8554 0.6205 0.6172 0.1264 0.2262 -0.0288 117 HIS C N 13632 C CA . HIS C 114 ? 0.8198 0.5992 0.5868 0.1303 0.2118 -0.0359 117 HIS C CA 13633 C C . HIS C 114 ? 0.8340 0.6060 0.5856 0.1432 0.2040 -0.0332 117 HIS C C 13634 O O . HIS C 114 ? 0.8464 0.6234 0.5953 0.1468 0.1922 -0.0376 117 HIS C O 13635 C CB . HIS C 114 ? 0.7958 0.6166 0.5888 0.1183 0.2074 -0.0373 117 HIS C CB 13636 C CG . HIS C 114 ? 0.7817 0.6183 0.5880 0.1007 0.2117 -0.0454 117 HIS C CG 13637 N ND1 . HIS C 114 ? 0.7222 0.6044 0.5494 0.0858 0.2071 -0.0456 117 HIS C ND1 13638 C CD2 . HIS C 114 ? 0.8084 0.6203 0.6095 0.0936 0.2195 -0.0542 117 HIS C CD2 13639 C CE1 . HIS C 114 ? 0.7598 0.6484 0.5917 0.0681 0.2122 -0.0579 117 HIS C CE1 13640 N NE2 . HIS C 114 ? 0.8373 0.6790 0.6547 0.0726 0.2205 -0.0643 117 HIS C NE2 13641 N N . CYS C 115 ? 0.7986 0.5618 0.5406 0.1486 0.2114 -0.0286 118 CYS C N 13642 C CA . CYS C 115 ? 0.8224 0.5743 0.5460 0.1574 0.2054 -0.0310 118 CYS C CA 13643 C C . CYS C 115 ? 0.8648 0.6005 0.5661 0.1627 0.2189 -0.0299 118 CYS C C 13644 O O . CYS C 115 ? 0.8402 0.5814 0.5493 0.1598 0.2336 -0.0258 118 CYS C O 13645 C CB . CYS C 115 ? 0.8570 0.6228 0.5997 0.1564 0.1982 -0.0322 118 CYS C CB 13646 S SG . CYS C 115 ? 0.9384 0.7208 0.7115 0.1575 0.2103 -0.0261 118 CYS C SG 13647 N N . HIS C 116 ? 0.8762 0.5982 0.5488 0.1680 0.2141 -0.0344 119 HIS C N 13648 C CA . HIS C 116 ? 0.8902 0.6023 0.5345 0.1712 0.2270 -0.0366 119 HIS C CA 13649 C C . HIS C 116 ? 0.9262 0.6301 0.5488 0.1737 0.2200 -0.0502 119 HIS C C 13650 O O . HIS C 116 ? 0.9377 0.6423 0.5624 0.1714 0.2030 -0.0535 119 HIS C O 13651 C CB . HIS C 116 ? 0.8609 0.5640 0.4789 0.1698 0.2300 -0.0235 119 HIS C CB 13652 C CG . HIS C 116 ? 0.8623 0.5597 0.4671 0.1732 0.2119 -0.0179 119 HIS C CG 13653 N ND1 . HIS C 116 ? 0.9128 0.6098 0.4833 0.1758 0.2031 -0.0177 119 HIS C ND1 13654 C CD2 . HIS C 116 ? 0.8150 0.5123 0.4385 0.1754 0.2012 -0.0133 119 HIS C CD2 13655 C CE1 . HIS C 116 ? 0.9128 0.6125 0.4850 0.1809 0.1866 -0.0099 119 HIS C CE1 13656 N NE2 . HIS C 116 ? 0.8747 0.5729 0.4797 0.1822 0.1864 -0.0084 119 HIS C NE2 13657 N N . VAL C 117 ? 0.9252 0.6239 0.5267 0.1762 0.2345 -0.0602 120 VAL C N 13658 C CA . VAL C 117 ? 0.9796 0.6670 0.5567 0.1757 0.2313 -0.0795 120 VAL C CA 13659 C C . VAL C 117 ? 1.0468 0.7373 0.5739 0.1720 0.2338 -0.0799 120 VAL C C 13660 O O . VAL C 117 ? 1.0747 0.7720 0.5863 0.1728 0.2521 -0.0766 120 VAL C O 13661 C CB . VAL C 117 ? 1.0079 0.6863 0.6028 0.1830 0.2475 -0.0969 120 VAL C CB 13662 C CG1 . VAL C 117 ? 1.0775 0.7355 0.6468 0.1800 0.2445 -0.1221 120 VAL C CG1 13663 C CG2 . VAL C 117 ? 0.9481 0.6290 0.5936 0.1870 0.2429 -0.0884 120 VAL C CG2 13664 N N . ASP C 118 ? 1.0473 0.7395 0.5496 0.1663 0.2148 -0.0816 121 ASP C N 13665 C CA . ASP C 118 ? 1.0530 0.7556 0.5059 0.1611 0.2118 -0.0788 121 ASP C CA 13666 C C . ASP C 118 ? 1.0699 0.7688 0.4900 0.1536 0.2165 -0.1090 121 ASP C C 13667 O O . ASP C 118 ? 1.0220 0.7047 0.4579 0.1510 0.2129 -0.1302 121 ASP C O 13668 C CB . ASP C 118 ? 1.1208 0.8364 0.5678 0.1600 0.1865 -0.0616 121 ASP C CB 13669 C CG . ASP C 118 ? 1.2094 0.9251 0.6734 0.1681 0.1854 -0.0329 121 ASP C CG 13670 O OD1 . ASP C 118 ? 1.2449 0.9503 0.7310 0.1707 0.2017 -0.0280 121 ASP C OD1 13671 O OD2 . ASP C 118 ? 1.2676 0.9939 0.7249 0.1720 0.1681 -0.0157 121 ASP C OD2 13672 N N . LYS C 119 ? 1.1419 0.8548 0.5144 0.1484 0.2248 -0.1107 122 LYS C N 13673 C CA . LYS C 119 ? 1.2117 0.9270 0.5414 0.1377 0.2290 -0.1423 122 LYS C CA 13674 C C . LYS C 119 ? 1.2657 1.0099 0.5468 0.1260 0.2096 -0.1289 122 LYS C C 13675 O O . LYS C 119 ? 1.3087 1.0723 0.5643 0.1264 0.2132 -0.1032 122 LYS C O 13676 C CB . LYS C 119 ? 1.2536 0.9724 0.5725 0.1403 0.2595 -0.1600 122 LYS C CB 13677 C CG . LYS C 119 ? 1.3004 1.0330 0.5835 0.1259 0.2631 -0.1954 122 LYS C CG 13678 C CD . LYS C 119 ? 1.3040 1.0578 0.6005 0.1283 0.2892 -0.2108 122 LYS C CD 13679 C CE . LYS C 119 ? 1.2956 1.0639 0.5621 0.1166 0.2945 -0.2532 122 LYS C CE 13680 N NZ . LYS C 119 ? 1.3231 1.1176 0.6057 0.1232 0.3210 -0.2709 122 LYS C NZ 13681 N N . VAL C 120 ? 1.3028 1.0523 0.5726 0.1143 0.1878 -0.1429 123 VAL C N 13682 C CA . VAL C 120 ? 1.3770 1.1632 0.6035 0.1023 0.1656 -0.1306 123 VAL C CA 13683 C C . VAL C 120 ? 1.4648 1.2631 0.6330 0.0838 0.1741 -0.1653 123 VAL C C 13684 O O . VAL C 120 ? 1.4922 1.2643 0.6619 0.0768 0.1853 -0.2068 123 VAL C O 13685 C CB . VAL C 120 ? 1.3921 1.1900 0.6424 0.0978 0.1354 -0.1242 123 VAL C CB 13686 C CG1 . VAL C 120 ? 1.3949 1.1671 0.6625 0.0858 0.1351 -0.1610 123 VAL C CG1 13687 C CG2 . VAL C 120 ? 1.4513 1.2968 0.6603 0.0864 0.1106 -0.1098 123 VAL C CG2 13688 N N . GLU C 121 ? 1.5110 1.3481 0.6272 0.0757 0.1692 -0.1482 124 GLU C N 13689 C CA . GLU C 121 ? 1.5476 1.4050 0.6003 0.0568 0.1810 -0.1802 124 GLU C CA 13690 C C . GLU C 121 ? 1.4953 1.3828 0.5124 0.0331 0.1532 -0.1968 124 GLU C C 13691 O O . GLU C 121 ? 1.4195 1.3417 0.4365 0.0318 0.1234 -0.1622 124 GLU C O 13692 C CB . GLU C 121 ? 1.6441 1.5355 0.6566 0.0565 0.1920 -0.1499 124 GLU C CB 13693 C CG . GLU C 121 ? 1.6862 1.5579 0.7376 0.0732 0.2189 -0.1336 124 GLU C CG 13694 C CD . GLU C 121 ? 1.7546 1.6152 0.8400 0.0737 0.2461 -0.1782 124 GLU C CD 13695 O OE1 . GLU C 121 ? 1.8035 1.6864 0.8664 0.0603 0.2504 -0.2178 124 GLU C OE1 13696 O OE2 . GLU C 121 ? 1.7394 1.5724 0.8766 0.0903 0.2616 -0.1732 124 GLU C OE2 13697 N N . LYS C 122 ? 1.5484 1.4275 0.5467 0.0155 0.1617 -0.2492 125 LYS C N 13698 C CA . LYS C 122 ? 1.6142 1.5233 0.5789 -0.0110 0.1372 -0.2727 125 LYS C CA 13699 C C . LYS C 122 ? 1.6588 1.5454 0.6232 -0.0175 0.1545 -0.3277 125 LYS C C 13700 O O . LYS C 122 ? 1.6703 1.5374 0.6554 -0.0003 0.1835 -0.3415 125 LYS C O 13701 C CB . LYS C 122 ? 1.5986 1.4995 0.5894 -0.0205 0.1100 -0.2679 125 LYS C CB 13702 C CG . LYS C 122 ? 1.5534 1.3954 0.6144 -0.0028 0.1199 -0.2715 125 LYS C CG 13703 C CD . LYS C 122 ? 1.4938 1.3502 0.5982 -0.0043 0.0894 -0.2469 125 LYS C CD 13704 C CE . LYS C 122 ? 1.4451 1.2546 0.6170 0.0156 0.0990 -0.2381 125 LYS C CE 13705 N NZ . LYS C 122 ? 1.4433 1.2742 0.6567 0.0140 0.0723 -0.2145 125 LYS C NZ 13706 N N . GLU C 123 ? 1.7296 1.6207 0.6730 -0.0432 0.1363 -0.3588 126 GLU C N 13707 C CA . GLU C 123 ? 1.8256 1.6862 0.7657 -0.0508 0.1519 -0.4130 126 GLU C CA 13708 C C . GLU C 123 ? 1.7913 1.5841 0.7909 -0.0346 0.1724 -0.4374 126 GLU C C 13709 O O . GLU C 123 ? 1.8116 1.5799 0.8259 -0.0194 0.1981 -0.4646 126 GLU C O 13710 C CB . GLU C 123 ? 1.9291 1.8042 0.8393 -0.0862 0.1265 -0.4402 126 GLU C CB 13711 C CG . GLU C 123 ? 2.0437 1.9028 0.9285 -0.0985 0.1405 -0.4926 126 GLU C CG 13712 C CD . GLU C 123 ? 2.1170 2.0260 0.9484 -0.0981 0.1486 -0.4842 126 GLU C CD 13713 O OE1 . GLU C 123 ? 2.1111 2.0710 0.9201 -0.0958 0.1354 -0.4355 126 GLU C OE1 13714 O OE2 . GLU C 123 ? 2.1823 2.0782 0.9941 -0.1003 0.1684 -0.5249 126 GLU C OE2 13715 N N . VAL C 124 ? 1.7177 1.4811 0.7528 -0.0369 0.1608 -0.4253 127 VAL C N 13716 C CA . VAL C 124 ? 1.6573 1.3561 0.7519 -0.0191 0.1779 -0.4340 127 VAL C CA 13717 C C . VAL C 124 ? 1.5721 1.2715 0.6941 0.0031 0.1810 -0.3865 127 VAL C C 13718 O O . VAL C 124 ? 1.5174 1.2110 0.6461 -0.0028 0.1622 -0.3636 127 VAL C O 13719 C CB . VAL C 124 ? 1.6820 1.3335 0.7935 -0.0419 0.1638 -0.4597 127 VAL C CB 13720 C CG1 . VAL C 124 ? 1.7562 1.3757 0.8630 -0.0519 0.1732 -0.5113 127 VAL C CG1 13721 C CG2 . VAL C 124 ? 1.7011 1.3944 0.7804 -0.0730 0.1305 -0.4461 127 VAL C CG2 13722 N N . PRO C 125 ? 1.5408 1.2491 0.6808 0.0283 0.2033 -0.3699 128 PRO C N 13723 C CA . PRO C 125 ? 1.4901 1.2004 0.6520 0.0482 0.2049 -0.3226 128 PRO C CA 13724 C C . PRO C 125 ? 1.4852 1.1453 0.6998 0.0603 0.2031 -0.3145 128 PRO C C 13725 O O . PRO C 125 ? 1.5349 1.1569 0.7921 0.0698 0.2177 -0.3345 128 PRO C O 13726 C CB . PRO C 125 ? 1.4731 1.2027 0.6493 0.0659 0.2312 -0.3167 128 PRO C CB 13727 C CG . PRO C 125 ? 1.5076 1.2248 0.6934 0.0655 0.2469 -0.3645 128 PRO C CG 13728 C CD . PRO C 125 ? 1.5396 1.2574 0.6822 0.0395 0.2279 -0.3947 128 PRO C CD 13729 N N . ASP C 126 ? 1.4047 1.0862 0.6440 0.0607 0.1778 -0.2766 129 ASP C N 13730 C CA . ASP C 126 ? 1.3632 1.0196 0.6639 0.0701 0.1707 -0.2601 129 ASP C CA 13731 C C . ASP C 126 ? 1.3317 0.9894 0.6690 0.0960 0.1844 -0.2287 129 ASP C C 13732 O O . ASP C 126 ? 1.3294 1.0122 0.6470 0.1045 0.1922 -0.2103 129 ASP C O 13733 C CB . ASP C 126 ? 1.3223 1.0072 0.6330 0.0559 0.1385 -0.2404 129 ASP C CB 13734 C CG . ASP C 126 ? 1.3702 1.0490 0.6591 0.0256 0.1237 -0.2721 129 ASP C CG 13735 O OD1 . ASP C 126 ? 1.4606 1.0917 0.7474 0.0183 0.1381 -0.3084 129 ASP C OD1 13736 O OD2 . ASP C 126 ? 1.3452 1.0670 0.6219 0.0091 0.0978 -0.2612 129 ASP C OD2 13737 N N . TYR C 127 ? 1.2640 0.8951 0.6542 0.1059 0.1866 -0.2217 130 TYR C N 13738 C CA . TYR C 127 ? 1.1840 0.8182 0.6132 0.1262 0.1972 -0.1947 130 TYR C CA 13739 C C . TYR C 127 ? 1.1341 0.7769 0.6031 0.1255 0.1774 -0.1693 130 TYR C C 13740 O O . TYR C 127 ? 1.1321 0.7614 0.6175 0.1138 0.1644 -0.1763 130 TYR C O 13741 C CB . TYR C 127 ? 1.1676 0.7711 0.6250 0.1409 0.2220 -0.2101 130 TYR C CB 13742 C CG . TYR C 127 ? 1.2228 0.8251 0.6471 0.1433 0.2452 -0.2386 130 TYR C CG 13743 C CD1 . TYR C 127 ? 1.1738 0.8107 0.5974 0.1506 0.2593 -0.2246 130 TYR C CD1 13744 C CD2 . TYR C 127 ? 1.3333 0.9146 0.7430 0.1321 0.2470 -0.2765 130 TYR C CD2 13745 C CE1 . TYR C 127 ? 1.2254 0.8817 0.6331 0.1481 0.2754 -0.2471 130 TYR C CE1 13746 C CE2 . TYR C 127 ? 1.3640 0.9641 0.7598 0.1314 0.2626 -0.3019 130 TYR C CE2 13747 C CZ . TYR C 127 ? 1.3257 0.9663 0.7198 0.1399 0.2771 -0.2867 130 TYR C CZ 13748 O OH . TYR C 127 ? 1.3601 1.0258 0.7379 0.1390 0.2940 -0.3127 130 TYR C OH 13749 N N . GLU C 128 ? 1.0699 0.7351 0.5535 0.1360 0.1761 -0.1410 131 GLU C N 13750 C CA . GLU C 128 ? 1.0428 0.7233 0.5601 0.1360 0.1597 -0.1201 131 GLU C CA 13751 C C . GLU C 128 ? 1.0583 0.7381 0.6124 0.1492 0.1716 -0.1036 131 GLU C C 13752 O O . GLU C 128 ? 1.0839 0.7604 0.6340 0.1583 0.1896 -0.1011 131 GLU C O 13753 C CB . GLU C 128 ? 1.0271 0.7401 0.5268 0.1345 0.1423 -0.1041 131 GLU C CB 13754 C CG . GLU C 128 ? 1.0619 0.7895 0.5320 0.1179 0.1247 -0.1171 131 GLU C CG 13755 C CD . GLU C 128 ? 1.0563 0.8241 0.5198 0.1203 0.1051 -0.0968 131 GLU C CD 13756 O OE1 . GLU C 128 ? 1.0062 0.7806 0.4754 0.1365 0.1090 -0.0748 131 GLU C OE1 13757 O OE2 . GLU C 128 ? 1.0949 0.8877 0.5506 0.1060 0.0857 -0.1024 131 GLU C OE2 13758 N N . MET C 129 ? 0.9986 0.6869 0.5879 0.1472 0.1614 -0.0927 132 MET C N 13759 C CA . MET C 129 ? 0.9320 0.6282 0.5547 0.1551 0.1688 -0.0777 132 MET C CA 13760 C C . MET C 129 ? 0.9281 0.6499 0.5613 0.1545 0.1561 -0.0643 132 MET C C 13761 O O . MET C 129 ? 0.9865 0.7237 0.6270 0.1464 0.1407 -0.0645 132 MET C O 13762 C CB . MET C 129 ? 0.9156 0.6026 0.5729 0.1536 0.1704 -0.0774 132 MET C CB 13763 C CG . MET C 129 ? 0.8636 0.5699 0.5543 0.1575 0.1744 -0.0615 132 MET C CG 13764 S SD . MET C 129 ? 0.9189 0.6218 0.6503 0.1566 0.1734 -0.0533 132 MET C SD 13765 C CE . MET C 129 ? 0.7836 0.5269 0.5428 0.1535 0.1716 -0.0354 132 MET C CE 13766 N N . TRP C 130 ? 0.8783 0.6044 0.5137 0.1624 0.1639 -0.0540 133 TRP C N 13767 C CA . TRP C 130 ? 0.8378 0.5815 0.4872 0.1654 0.1561 -0.0451 133 TRP C CA 13768 C C . TRP C 130 ? 0.8239 0.5726 0.5026 0.1646 0.1652 -0.0413 133 TRP C C 13769 O O . TRP C 130 ? 0.7929 0.5326 0.4766 0.1645 0.1787 -0.0401 133 TRP C O 13770 C CB . TRP C 130 ? 0.8850 0.6238 0.5115 0.1744 0.1556 -0.0358 133 TRP C CB 13771 C CG . TRP C 130 ? 0.9428 0.6879 0.5388 0.1734 0.1436 -0.0372 133 TRP C CG 13772 C CD1 . TRP C 130 ? 0.9871 0.7221 0.5503 0.1684 0.1480 -0.0447 133 TRP C CD1 13773 C CD2 . TRP C 130 ? 0.9350 0.7048 0.5306 0.1765 0.1252 -0.0326 133 TRP C CD2 13774 N NE1 . TRP C 130 ? 0.9896 0.7416 0.5284 0.1650 0.1320 -0.0452 133 TRP C NE1 13775 C CE2 . TRP C 130 ? 0.9595 0.7350 0.5199 0.1705 0.1169 -0.0358 133 TRP C CE2 13776 C CE3 . TRP C 130 ? 0.8535 0.6462 0.4763 0.1839 0.1157 -0.0278 133 TRP C CE3 13777 C CZ2 . TRP C 130 ? 0.9394 0.7464 0.4927 0.1707 0.0970 -0.0308 133 TRP C CZ2 13778 C CZ3 . TRP C 130 ? 0.8429 0.6661 0.4624 0.1877 0.0980 -0.0233 133 TRP C CZ3 13779 C CH2 . TRP C 130 ? 0.8739 0.7058 0.4597 0.1805 0.0876 -0.0230 133 TRP C CH2 13780 N N . MET C 131 ? 0.8093 0.5787 0.5080 0.1628 0.1580 -0.0410 134 MET C N 13781 C CA . MET C 131 ? 0.8124 0.5930 0.5355 0.1581 0.1650 -0.0407 134 MET C CA 13782 C C . MET C 131 ? 0.8552 0.6490 0.5882 0.1615 0.1615 -0.0451 134 MET C C 13783 O O . MET C 131 ? 0.9317 0.7374 0.6622 0.1674 0.1514 -0.0469 134 MET C O 13784 C CB . MET C 131 ? 0.7705 0.5712 0.5140 0.1474 0.1613 -0.0396 134 MET C CB 13785 C CG . MET C 131 ? 0.7795 0.6042 0.5289 0.1403 0.1471 -0.0407 134 MET C CG 13786 S SD . MET C 131 ? 0.8787 0.7249 0.6516 0.1256 0.1420 -0.0310 134 MET C SD 13787 C CE . MET C 131 ? 0.9309 0.8047 0.7222 0.1204 0.1499 -0.0303 134 MET C CE 13788 N N . LEU C 132 ? 0.8054 0.5991 0.5519 0.1574 0.1708 -0.0487 135 LEU C N 13789 C CA . LEU C 132 ? 0.7868 0.5873 0.5450 0.1610 0.1713 -0.0588 135 LEU C CA 13790 C C . LEU C 132 ? 0.7504 0.5917 0.5212 0.1585 0.1614 -0.0667 135 LEU C C 13791 O O . LEU C 132 ? 0.7565 0.6266 0.5355 0.1443 0.1578 -0.0658 135 LEU C O 13792 C CB . LEU C 132 ? 0.7678 0.5675 0.5388 0.1491 0.1824 -0.0667 135 LEU C CB 13793 C CG . LEU C 132 ? 0.7705 0.5321 0.5335 0.1484 0.1942 -0.0604 135 LEU C CG 13794 C CD1 . LEU C 132 ? 0.7217 0.4936 0.4997 0.1297 0.2030 -0.0699 135 LEU C CD1 13795 C CD2 . LEU C 132 ? 0.7491 0.4750 0.5047 0.1640 0.1952 -0.0584 135 LEU C CD2 13796 N N . ASP C 133 ? 0.7354 0.5822 0.5095 0.1725 0.1571 -0.0718 136 ASP C N 13797 C CA . ASP C 133 ? 0.7023 0.5964 0.4915 0.1702 0.1503 -0.0810 136 ASP C CA 13798 C C . ASP C 133 ? 0.7374 0.6605 0.5414 0.1559 0.1578 -0.0959 136 ASP C C 13799 O O . ASP C 133 ? 0.7124 0.6815 0.5236 0.1423 0.1528 -0.0976 136 ASP C O 13800 C CB . ASP C 133 ? 0.7104 0.6090 0.5077 0.1922 0.1469 -0.0851 136 ASP C CB 13801 C CG . ASP C 133 ? 0.7412 0.6982 0.5560 0.1905 0.1405 -0.0940 136 ASP C CG 13802 O OD1 . ASP C 133 ? 0.7410 0.7273 0.5527 0.1721 0.1326 -0.0880 136 ASP C OD1 13803 O OD2 . ASP C 133 ? 0.8167 0.7901 0.6505 0.2077 0.1443 -0.1065 136 ASP C OD2 13804 N N . ALA C 134 ? 0.7279 0.6267 0.5343 0.1554 0.1695 -0.1061 137 ALA C N 13805 C CA . ALA C 134 ? 0.6866 0.6141 0.5026 0.1381 0.1766 -0.1233 137 ALA C CA 13806 C C . ALA C 134 ? 0.7300 0.6826 0.5438 0.1158 0.1724 -0.1104 137 ALA C C 13807 O O . ALA C 134 ? 0.7650 0.7582 0.5848 0.0977 0.1741 -0.1200 137 ALA C O 13808 C CB . ALA C 134 ? 0.6932 0.5817 0.5114 0.1397 0.1896 -0.1383 137 ALA C CB 13809 N N . GLY C 135 ? 0.6329 0.5650 0.4391 0.1174 0.1671 -0.0893 138 GLY C N 13810 C CA . GLY C 135 ? 0.6178 0.5676 0.4280 0.1023 0.1636 -0.0744 138 GLY C CA 13811 C C . GLY C 135 ? 0.6752 0.5954 0.4845 0.1024 0.1718 -0.0681 138 GLY C C 13812 O O . GLY C 135 ? 0.6926 0.5823 0.4974 0.1074 0.1812 -0.0769 138 GLY C O 13813 N N . GLY C 136 ? 0.6619 0.5922 0.4784 0.0971 0.1684 -0.0510 139 GLY C N 13814 C CA . GLY C 136 ? 0.6678 0.5825 0.4888 0.0977 0.1768 -0.0438 139 GLY C CA 13815 C C . GLY C 136 ? 0.6904 0.6458 0.5318 0.0855 0.1725 -0.0299 139 GLY C C 13816 O O . GLY C 136 ? 0.6744 0.6621 0.5234 0.0782 0.1615 -0.0204 139 GLY C O 13817 N N . LEU C 137 ? 0.6673 0.6251 0.5191 0.0824 0.1808 -0.0260 140 LEU C N 13818 C CA . LEU C 137 ? 0.6950 0.6958 0.5717 0.0747 0.1761 -0.0087 140 LEU C CA 13819 C C . LEU C 137 ? 0.6972 0.6881 0.5840 0.0905 0.1702 0.0108 140 LEU C C 13820 O O . LEU C 137 ? 0.7407 0.6907 0.6197 0.1074 0.1775 0.0093 140 LEU C O 13821 C CB . LEU C 137 ? 0.7459 0.7535 0.6346 0.0697 0.1875 -0.0084 140 LEU C CB 13822 C CG . LEU C 137 ? 0.7423 0.8080 0.6618 0.0598 0.1819 0.0092 140 LEU C CG 13823 C CD1 . LEU C 137 ? 0.5933 0.7099 0.5133 0.0354 0.1705 0.0050 140 LEU C CD1 13824 C CD2 . LEU C 137 ? 0.7510 0.8250 0.6836 0.0548 0.1948 0.0085 140 LEU C CD2 13825 N N . GLU C 138 ? 0.6773 0.7049 0.5804 0.0836 0.1569 0.0290 141 GLU C N 13826 C CA . GLU C 138 ? 0.6822 0.6902 0.5938 0.0963 0.1495 0.0468 141 GLU C CA 13827 C C . GLU C 138 ? 0.6993 0.6846 0.6299 0.1170 0.1587 0.0549 141 GLU C C 13828 O O . GLU C 138 ? 0.7934 0.7351 0.7197 0.1322 0.1608 0.0539 141 GLU C O 13829 C CB . GLU C 138 ? 0.6719 0.7258 0.5993 0.0827 0.1331 0.0710 141 GLU C CB 13830 C CG . GLU C 138 ? 0.6890 0.7185 0.6310 0.0938 0.1246 0.0944 141 GLU C CG 13831 C CD . GLU C 138 ? 0.7124 0.7762 0.6566 0.0752 0.1076 0.1167 141 GLU C CD 13832 O OE1 . GLU C 138 ? 0.7509 0.7858 0.6833 0.0727 0.1026 0.1173 141 GLU C OE1 13833 O OE2 . GLU C 138 ? 0.6762 0.8001 0.6324 0.0604 0.0989 0.1343 141 GLU C OE2 13834 N N . VAL C 139 ? 0.6456 0.6626 0.5977 0.1169 0.1653 0.0602 142 VAL C N 13835 C CA . VAL C 139 ? 0.7088 0.7128 0.6831 0.1386 0.1768 0.0659 142 VAL C CA 13836 C C . VAL C 139 ? 0.8048 0.7586 0.7515 0.1495 0.1936 0.0431 142 VAL C C 13837 O O . VAL C 139 ? 0.9041 0.8253 0.8534 0.1693 0.2020 0.0401 142 VAL C O 13838 C CB . VAL C 139 ? 0.6149 0.6767 0.6220 0.1339 0.1798 0.0778 142 VAL C CB 13839 C CG1 . VAL C 139 ? 0.6088 0.7240 0.6440 0.1259 0.1608 0.1060 142 VAL C CG1 13840 C CG2 . VAL C 139 ? 0.6568 0.7345 0.6457 0.1118 0.1868 0.0598 142 VAL C CG2 13841 N N . GLU C 140 ? 0.7288 0.6746 0.6477 0.1367 0.1987 0.0267 143 GLU C N 13842 C CA . GLU C 140 ? 0.7453 0.6482 0.6353 0.1451 0.2123 0.0108 143 GLU C CA 13843 C C . GLU C 140 ? 0.7949 0.6565 0.6601 0.1533 0.2059 0.0033 143 GLU C C 13844 O O . GLU C 140 ? 0.8586 0.6885 0.7085 0.1661 0.2152 -0.0053 143 GLU C O 13845 C CB . GLU C 140 ? 0.6844 0.5853 0.5549 0.1299 0.2176 0.0005 143 GLU C CB 13846 C CG . GLU C 140 ? 0.7073 0.6461 0.6000 0.1167 0.2254 0.0049 143 GLU C CG 13847 C CD . GLU C 140 ? 0.7921 0.7127 0.6646 0.1024 0.2344 -0.0056 143 GLU C CD 13848 O OE1 . GLU C 140 ? 0.8330 0.7113 0.6757 0.1075 0.2349 -0.0135 143 GLU C OE1 13849 O OE2 . GLU C 140 ? 0.8090 0.7577 0.6971 0.0852 0.2403 -0.0045 143 GLU C OE2 13850 N N . VAL C 141 ? 0.7751 0.6420 0.6353 0.1436 0.1903 0.0052 144 VAL C N 13851 C CA . VAL C 141 ? 0.8136 0.6498 0.6549 0.1471 0.1823 -0.0002 144 VAL C CA 13852 C C . VAL C 141 ? 0.8692 0.6833 0.7245 0.1597 0.1833 0.0051 144 VAL C C 13853 O O . VAL C 141 ? 0.9427 0.7194 0.7780 0.1669 0.1868 -0.0076 144 VAL C O 13854 C CB . VAL C 141 ? 0.6429 0.5015 0.4837 0.1324 0.1666 0.0036 144 VAL C CB 13855 C CG1 . VAL C 141 ? 0.6558 0.4899 0.4807 0.1321 0.1574 -0.0004 144 VAL C CG1 13856 C CG2 . VAL C 141 ? 0.6305 0.5041 0.4592 0.1241 0.1688 -0.0077 144 VAL C CG2 13857 N N . GLU C 142 ? 0.8017 0.6388 0.6927 0.1629 0.1805 0.0234 145 GLU C N 13858 C CA . GLU C 142 ? 0.8349 0.6457 0.7468 0.1790 0.1826 0.0295 145 GLU C CA 13859 C C . GLU C 142 ? 0.8638 0.6525 0.7722 0.1979 0.2036 0.0126 145 GLU C C 13860 O O . GLU C 142 ? 0.8858 0.6337 0.7918 0.2106 0.2093 0.0014 145 GLU C O 13861 C CB . GLU C 142 ? 0.8055 0.6519 0.7611 0.1812 0.1739 0.0584 145 GLU C CB 13862 C CG . GLU C 142 ? 0.8933 0.7094 0.8690 0.1882 0.1639 0.0745 145 GLU C CG 13863 C CD . GLU C 142 ? 0.8841 0.6930 0.8399 0.1663 0.1467 0.0799 145 GLU C CD 13864 O OE1 . GLU C 142 ? 0.7846 0.6277 0.7207 0.1478 0.1411 0.0763 145 GLU C OE1 13865 O OE2 . GLU C 142 ? 0.9426 0.7116 0.9040 0.1669 0.1398 0.0868 145 GLU C OE2 13866 N N . CYS C 143 ? 0.8399 0.6552 0.7466 0.1975 0.2163 0.0087 146 CYS C N 13867 C CA . CYS C 143 ? 0.8694 0.6723 0.7686 0.2119 0.2382 -0.0070 146 CYS C CA 13868 C C . CYS C 143 ? 0.9121 0.6738 0.7630 0.2099 0.2422 -0.0292 146 CYS C C 13869 O O . CYS C 143 ? 0.9981 0.7324 0.8397 0.2229 0.2545 -0.0459 146 CYS C O 13870 C CB . CYS C 143 ? 0.8296 0.6733 0.7364 0.2053 0.2496 -0.0027 146 CYS C CB 13871 S SG . CYS C 143 ? 0.8326 0.7343 0.8010 0.2133 0.2513 0.0194 146 CYS C SG 13872 N N . CYS C 144 ? 0.8446 0.6045 0.6651 0.1942 0.2320 -0.0305 147 CYS C N 13873 C CA . CYS C 144 ? 0.8760 0.6051 0.6531 0.1916 0.2307 -0.0466 147 CYS C CA 13874 C C . CYS C 144 ? 0.9391 0.6361 0.7136 0.1942 0.2228 -0.0562 147 CYS C C 13875 O O . CYS C 144 ? 1.0431 0.7135 0.7892 0.1973 0.2296 -0.0759 147 CYS C O 13876 C CB . CYS C 144 ? 0.9041 0.6404 0.6606 0.1781 0.2177 -0.0424 147 CYS C CB 13877 S SG . CYS C 144 ? 0.9633 0.7186 0.7151 0.1723 0.2276 -0.0352 147 CYS C SG 13878 N N . ARG C 145 ? 0.8838 0.5835 0.6862 0.1902 0.2085 -0.0425 148 ARG C N 13879 C CA . ARG C 145 ? 0.8506 0.5143 0.6541 0.1891 0.2005 -0.0486 148 ARG C CA 13880 C C . ARG C 145 ? 0.8805 0.5133 0.6972 0.2082 0.2174 -0.0625 148 ARG C C 13881 O O . ARG C 145 ? 0.9006 0.4924 0.6979 0.2076 0.2194 -0.0841 148 ARG C O 13882 C CB . ARG C 145 ? 0.7959 0.4722 0.6293 0.1796 0.1828 -0.0246 148 ARG C CB 13883 C CG . ARG C 145 ? 0.8339 0.4685 0.6707 0.1741 0.1735 -0.0266 148 ARG C CG 13884 C CD . ARG C 145 ? 0.8699 0.5127 0.7468 0.1718 0.1616 0.0040 148 ARG C CD 13885 N NE . ARG C 145 ? 0.8765 0.5373 0.7911 0.1924 0.1711 0.0189 148 ARG C NE 13886 C CZ . ARG C 145 ? 0.9970 0.6247 0.9375 0.2148 0.1825 0.0155 148 ARG C CZ 13887 N NH1 . ARG C 145 ? 1.1213 0.6889 1.0499 0.2176 0.1867 -0.0060 148 ARG C NH1 13888 N NH2 . ARG C 145 ? 1.0029 0.6595 0.9829 0.2344 0.1900 0.0317 148 ARG C NH2 13889 N N . GLN C 146 ? 0.8851 0.5395 0.7368 0.2250 0.2300 -0.0525 149 GLN C N 13890 C CA . GLN C 146 ? 0.9925 0.6240 0.8620 0.2481 0.2497 -0.0680 149 GLN C CA 13891 C C . GLN C 146 ? 1.0502 0.6687 0.8760 0.2497 0.2683 -0.1002 149 GLN C C 13892 O O . GLN C 146 ? 1.0851 0.6642 0.9011 0.2586 0.2792 -0.1267 149 GLN C O 13893 C CB . GLN C 146 ? 1.0517 0.7248 0.9695 0.2658 0.2599 -0.0495 149 GLN C CB 13894 C CG . GLN C 146 ? 1.1884 0.8617 1.1586 0.2763 0.2478 -0.0225 149 GLN C CG 13895 C CD . GLN C 146 ? 1.3152 1.0249 1.3371 0.3018 0.2620 -0.0108 149 GLN C CD 13896 O OE1 . GLN C 146 ? 1.3806 1.1139 1.3988 0.3109 0.2836 -0.0265 149 GLN C OE1 13897 N NE2 . GLN C 146 ? 1.3468 1.0668 1.4187 0.3129 0.2496 0.0196 149 GLN C NE2 13898 N N . LYS C 147 ? 0.9791 0.6293 0.7770 0.2400 0.2723 -0.0982 150 LYS C N 13899 C CA . LYS C 147 ? 0.9964 0.6436 0.7498 0.2370 0.2864 -0.1217 150 LYS C CA 13900 C C . LYS C 147 ? 1.0121 0.6228 0.7232 0.2245 0.2757 -0.1424 150 LYS C C 13901 O O . LYS C 147 ? 1.0561 0.6564 0.7491 0.2229 0.2826 -0.1686 150 LYS C O 13902 C CB . LYS C 147 ? 0.9815 0.6629 0.7131 0.2263 0.2889 -0.1082 150 LYS C CB 13903 C CG . LYS C 147 ? 0.9433 0.6379 0.6392 0.2193 0.2999 -0.1221 150 LYS C CG 13904 C CD . LYS C 147 ? 0.9478 0.6638 0.6709 0.2315 0.3200 -0.1335 150 LYS C CD 13905 C CE . LYS C 147 ? 0.9815 0.7166 0.6661 0.2232 0.3334 -0.1475 150 LYS C CE 13906 N NZ . LYS C 147 ? 1.0009 0.7673 0.7153 0.2355 0.3554 -0.1583 150 LYS C NZ 13907 N N . LEU C 148 ? 0.9716 0.5773 0.6745 0.2093 0.2528 -0.1301 151 LEU C N 13908 C CA . LEU C 148 ? 1.0516 0.6319 0.7177 0.1941 0.2403 -0.1480 151 LEU C CA 13909 C C . LEU C 148 ? 1.1684 0.7017 0.8465 0.1975 0.2433 -0.1691 151 LEU C C 13910 O O . LEU C 148 ? 1.2345 0.7425 0.8769 0.1892 0.2463 -0.1990 151 LEU C O 13911 C CB . LEU C 148 ? 1.0213 0.6166 0.6864 0.1771 0.2149 -0.1286 151 LEU C CB 13912 C CG . LEU C 148 ? 1.0837 0.6618 0.7149 0.1591 0.2006 -0.1459 151 LEU C CG 13913 C CD1 . LEU C 148 ? 1.1040 0.7132 0.6997 0.1500 0.1903 -0.1406 151 LEU C CD1 13914 C CD2 . LEU C 148 ? 1.0632 0.6278 0.7202 0.1465 0.1825 -0.1363 151 LEU C CD2 13915 N N . GLU C 149 ? 1.1477 0.6675 0.8757 0.2086 0.2419 -0.1539 152 GLU C N 13916 C CA . GLU C 149 ? 1.2030 0.6682 0.9475 0.2142 0.2456 -0.1719 152 GLU C CA 13917 C C . GLU C 149 ? 1.1730 0.6298 0.9174 0.2308 0.2689 -0.2029 152 GLU C C 13918 O O . GLU C 149 ? 1.1809 0.5984 0.9196 0.2268 0.2702 -0.2321 152 GLU C O 13919 C CB . GLU C 149 ? 1.2551 0.7122 1.0571 0.2237 0.2366 -0.1408 152 GLU C CB 13920 C CG . GLU C 149 ? 1.3115 0.7840 1.1167 0.2000 0.2094 -0.1120 152 GLU C CG 13921 C CD . GLU C 149 ? 1.3084 0.7607 1.1618 0.2034 0.1987 -0.0837 152 GLU C CD 13922 O OE1 . GLU C 149 ? 1.3743 0.7939 1.2617 0.2269 0.2112 -0.0863 152 GLU C OE1 13923 O OE2 . GLU C 149 ? 1.2062 0.6778 1.0645 0.1832 0.1781 -0.0577 152 GLU C OE2 13924 N N . GLU C 150 ? 1.1398 0.6469 0.8972 0.2429 0.2814 -0.1958 153 GLU C N 13925 C CA . GLU C 150 ? 1.1857 0.7073 0.9469 0.2528 0.2984 -0.2232 153 GLU C CA 13926 C C . GLU C 150 ? 1.1595 0.6836 0.8610 0.2339 0.2999 -0.2538 153 GLU C C 13927 O O . GLU C 150 ? 1.2194 0.7237 0.9125 0.2344 0.3067 -0.2888 153 GLU C O 13928 C CB . GLU C 150 ? 1.0902 0.6676 0.8771 0.2665 0.3123 -0.2062 153 GLU C CB 13929 C CG . GLU C 150 ? 1.2314 0.8148 1.0820 0.2887 0.3136 -0.1808 153 GLU C CG 13930 C CD . GLU C 150 ? 1.2182 0.8617 1.0913 0.2979 0.3272 -0.1642 153 GLU C CD 13931 O OE1 . GLU C 150 ? 1.1989 0.8738 1.0375 0.2860 0.3362 -0.1721 153 GLU C OE1 13932 O OE2 . GLU C 150 ? 1.2280 0.8888 1.1537 0.3159 0.3287 -0.1414 153 GLU C OE2 13933 N N . LEU C 151 ? 1.2353 0.7848 0.8948 0.2177 0.2928 -0.2408 154 LEU C N 13934 C CA . LEU C 151 ? 1.1601 0.7199 0.7609 0.2000 0.2927 -0.2638 154 LEU C CA 13935 C C . LEU C 151 ? 1.2559 0.7710 0.8291 0.1838 0.2804 -0.2894 154 LEU C C 13936 O O . LEU C 151 ? 1.3413 0.8547 0.8821 0.1740 0.2848 -0.3234 154 LEU C O 13937 C CB . LEU C 151 ? 1.1190 0.7122 0.6856 0.1894 0.2854 -0.2379 154 LEU C CB 13938 C CG . LEU C 151 ? 1.0808 0.7145 0.6686 0.1992 0.2974 -0.2133 154 LEU C CG 13939 C CD1 . LEU C 151 ? 1.0477 0.7000 0.6054 0.1893 0.2879 -0.1864 154 LEU C CD1 13940 C CD2 . LEU C 151 ? 1.1175 0.7798 0.6987 0.2029 0.3182 -0.2331 154 LEU C CD2 13941 N N . ALA C 152 ? 1.2262 0.7070 0.8095 0.1783 0.2654 -0.2747 155 ALA C N 13942 C CA . ALA C 152 ? 1.2348 0.6717 0.7898 0.1571 0.2529 -0.2976 155 ALA C CA 13943 C C . ALA C 152 ? 1.3013 0.6949 0.8794 0.1608 0.2607 -0.3302 155 ALA C C 13944 O O . ALA C 152 ? 1.3597 0.7296 0.9047 0.1406 0.2560 -0.3637 155 ALA C O 13945 C CB . ALA C 152 ? 1.1951 0.6208 0.7703 0.1470 0.2309 -0.2675 155 ALA C CB 13946 N N . SER C 153 ? 1.3468 0.7315 0.9824 0.1866 0.2713 -0.3210 156 SER C N 13947 C CA . SER C 153 ? 1.4180 0.7639 1.0847 0.1991 0.2800 -0.3493 156 SER C CA 13948 C C . SER C 153 ? 1.4900 0.7674 1.1488 0.1782 0.2671 -0.3678 156 SER C C 13949 O O . SER C 153 ? 1.4926 0.7464 1.1274 0.1664 0.2689 -0.4088 156 SER C O 13950 C CB . SER C 153 ? 1.4058 0.7836 1.0499 0.2049 0.2963 -0.3857 156 SER C CB 13951 O OG . SER C 153 ? 1.4402 0.8229 1.0208 0.1772 0.2903 -0.4135 156 SER C OG 13952 N N . GLY C 154 ? 1.4666 0.7125 1.1450 0.1714 0.2538 -0.3367 157 GLY C N 13953 C CA . GLY C 154 ? 1.4529 0.6294 1.1339 0.1497 0.2414 -0.3463 157 GLY C CA 13954 C C . GLY C 154 ? 1.4627 0.6320 1.0851 0.1088 0.2267 -0.3597 157 GLY C C 13955 O O . GLY C 154 ? 1.5278 0.6406 1.1504 0.0831 0.2151 -0.3675 157 GLY C O 13956 N N . ARG C 155 ? 1.4213 0.6492 0.9960 0.1001 0.2245 -0.3598 158 ARG C N 13957 C CA . ARG C 155 ? 1.4668 0.7216 1.0011 0.0614 0.2000 -0.3630 158 ARG C CA 13958 C C . ARG C 155 ? 1.4100 0.6922 0.9752 0.0480 0.1738 -0.3154 158 ARG C C 13959 O O . ARG C 155 ? 1.3405 0.6420 0.9456 0.0688 0.1741 -0.2774 158 ARG C O 13960 C CB . ARG C 155 ? 1.4529 0.7724 0.9347 0.0592 0.2018 -0.3711 158 ARG C CB 13961 C CG . ARG C 155 ? 1.5074 0.8234 0.9563 0.0625 0.2210 -0.4168 158 ARG C CG 13962 C CD . ARG C 155 ? 1.4689 0.8565 0.8756 0.0656 0.2236 -0.4111 158 ARG C CD 13963 N NE . ARG C 155 ? 1.4505 0.8704 0.8069 0.0362 0.2015 -0.4057 158 ARG C NE 13964 C CZ . ARG C 155 ? 1.4291 0.9121 0.7528 0.0374 0.1959 -0.3865 158 ARG C CZ 13965 N NH1 . ARG C 155 ? 1.3730 0.8816 0.6981 0.0621 0.2152 -0.3756 158 ARG C NH1 13966 N NH2 . ARG C 155 ? 1.3828 0.9101 0.6813 0.0136 0.1686 -0.3737 158 ARG C NH2 13967 N N . ASN C 156 ? 1.4174 0.7069 0.9630 0.0106 0.1514 -0.3195 159 ASN C N 13968 C CA . ASN C 156 ? 1.3615 0.6848 0.9333 -0.0060 0.1278 -0.2786 159 ASN C CA 13969 C C . ASN C 156 ? 1.2975 0.7003 0.8656 0.0078 0.1219 -0.2490 159 ASN C C 13970 O O . ASN C 156 ? 1.3143 0.7570 0.8435 0.0077 0.1215 -0.2612 159 ASN C O 13971 C CB . ASN C 156 ? 1.4186 0.7411 0.9699 -0.0512 0.1066 -0.2927 159 ASN C CB 13972 C CG . ASN C 156 ? 1.5575 0.7937 1.1238 -0.0702 0.1088 -0.3127 159 ASN C CG 13973 O OD1 . ASN C 156 ? 1.5679 0.7573 1.1780 -0.0546 0.1152 -0.2917 159 ASN C OD1 13974 N ND2 . ASN C 156 ? 1.6657 0.8792 1.1961 -0.1048 0.1027 -0.3526 159 ASN C ND2 13975 N N . GLN C 157 ? 1.2503 0.6749 0.8584 0.0189 0.1173 -0.2099 160 GLN C N 13976 C CA . GLN C 157 ? 1.1499 0.6414 0.7603 0.0323 0.1131 -0.1836 160 GLN C CA 13977 C C . GLN C 157 ? 1.1425 0.6817 0.7605 0.0084 0.0903 -0.1631 160 GLN C C 13978 O O . GLN C 157 ? 1.2015 0.7260 0.8421 -0.0125 0.0800 -0.1518 160 GLN C O 13979 C CB . GLN C 157 ? 1.0694 0.5624 0.7173 0.0604 0.1252 -0.1580 160 GLN C CB 13980 C CG . GLN C 157 ? 1.1291 0.5845 0.7797 0.0866 0.1491 -0.1748 160 GLN C CG 13981 C CD . GLN C 157 ? 1.0393 0.5131 0.7271 0.1120 0.1585 -0.1474 160 GLN C CD 13982 O OE1 . GLN C 157 ? 0.9827 0.5026 0.6822 0.1108 0.1492 -0.1211 160 GLN C OE1 13983 N NE2 . GLN C 157 ? 1.0660 0.5074 0.7742 0.1349 0.1773 -0.1551 160 GLN C NE2 13984 N N . MET C 158 ? 1.0917 0.6894 0.6929 0.0119 0.0831 -0.1570 161 MET C N 13985 C CA . MET C 158 ? 1.0775 0.7329 0.6923 -0.0022 0.0651 -0.1368 161 MET C CA 13986 C C . MET C 158 ? 1.0669 0.7550 0.7093 0.0200 0.0704 -0.1103 161 MET C C 13987 O O . MET C 158 ? 1.0743 0.7551 0.7141 0.0454 0.0848 -0.1089 161 MET C O 13988 C CB . MET C 158 ? 1.0877 0.7902 0.6718 -0.0101 0.0524 -0.1465 161 MET C CB 13989 C CG . MET C 158 ? 1.2082 0.8859 0.7567 -0.0338 0.0474 -0.1774 161 MET C CG 13990 S SD . MET C 158 ? 1.3009 0.9493 0.8651 -0.0762 0.0346 -0.1847 161 MET C SD 13991 C CE . MET C 158 ? 1.3941 0.9436 0.9471 -0.0729 0.0545 -0.2155 161 MET C CE 13992 N N . TYR C 159 ? 1.0547 0.7818 0.7225 0.0074 0.0595 -0.0908 162 TYR C N 13993 C CA . TYR C 159 ? 0.9601 0.7235 0.6528 0.0228 0.0637 -0.0697 162 TYR C CA 13994 C C . TYR C 159 ? 0.9520 0.7823 0.6476 0.0196 0.0527 -0.0652 162 TYR C C 13995 O O . TYR C 159 ? 0.9639 0.8323 0.6786 0.0006 0.0434 -0.0545 162 TYR C O 13996 C CB . TYR C 159 ? 0.9212 0.6750 0.6440 0.0124 0.0636 -0.0500 162 TYR C CB 13997 C CG . TYR C 159 ? 0.9973 0.6842 0.7246 0.0175 0.0727 -0.0526 162 TYR C CG 13998 C CD1 . TYR C 159 ? 1.0182 0.6873 0.7535 0.0442 0.0877 -0.0498 162 TYR C CD1 13999 C CD2 . TYR C 159 ? 1.0696 0.7110 0.7962 -0.0040 0.0668 -0.0588 162 TYR C CD2 14000 C CE1 . TYR C 159 ? 1.0479 0.6614 0.7939 0.0535 0.0972 -0.0524 162 TYR C CE1 14001 C CE2 . TYR C 159 ? 1.0953 0.6708 0.8310 0.0052 0.0766 -0.0630 162 TYR C CE2 14002 C CZ . TYR C 159 ? 1.1066 0.6711 0.8535 0.0362 0.0920 -0.0594 162 TYR C CZ 14003 O OH . TYR C 159 ? 1.1975 0.7019 0.9598 0.0497 0.1029 -0.0636 162 TYR C OH 14004 N N . PRO C 160 ? 0.9256 0.7738 0.6047 0.0386 0.0541 -0.0713 163 PRO C N 14005 C CA . PRO C 160 ? 0.9347 0.8455 0.6205 0.0399 0.0428 -0.0674 163 PRO C CA 14006 C C . PRO C 160 ? 0.8955 0.8495 0.6127 0.0467 0.0460 -0.0552 163 PRO C C 14007 O O . PRO C 160 ? 0.8812 0.8928 0.6126 0.0441 0.0372 -0.0531 163 PRO C O 14008 C CB . PRO C 160 ? 0.9599 0.8670 0.6221 0.0636 0.0456 -0.0714 163 PRO C CB 14009 C CG . PRO C 160 ? 0.9846 0.8336 0.6189 0.0633 0.0551 -0.0832 163 PRO C CG 14010 C CD . PRO C 160 ? 0.9558 0.7695 0.6096 0.0587 0.0654 -0.0806 163 PRO C CD 14011 N N . HIS C 161 ? 0.8835 0.8176 0.6126 0.0551 0.0586 -0.0488 164 HIS C N 14012 C CA . HIS C 161 ? 0.8401 0.8175 0.5943 0.0590 0.0630 -0.0418 164 HIS C CA 14013 C C . HIS C 161 ? 0.8502 0.8578 0.6222 0.0315 0.0568 -0.0311 164 HIS C C 14014 O O . HIS C 161 ? 0.8143 0.8731 0.6047 0.0296 0.0594 -0.0276 164 HIS C O 14015 C CB . HIS C 161 ? 0.8141 0.7658 0.5716 0.0760 0.0778 -0.0398 164 HIS C CB 14016 C CG . HIS C 161 ? 0.8313 0.7469 0.5918 0.0666 0.0818 -0.0311 164 HIS C CG 14017 N ND1 . HIS C 161 ? 0.8773 0.7414 0.6234 0.0654 0.0824 -0.0344 164 HIS C ND1 14018 C CD2 . HIS C 161 ? 0.8308 0.7570 0.6089 0.0597 0.0852 -0.0186 164 HIS C CD2 14019 C CE1 . HIS C 161 ? 0.8969 0.7384 0.6564 0.0615 0.0864 -0.0234 164 HIS C CE1 14020 N NE2 . HIS C 161 ? 0.8834 0.7640 0.6620 0.0573 0.0867 -0.0110 164 HIS C NE2 14021 N N . LEU C 162 ? 0.8447 0.8212 0.6112 0.0090 0.0498 -0.0264 165 LEU C N 14022 C CA . LEU C 162 ? 0.8687 0.8681 0.6507 -0.0214 0.0424 -0.0112 165 LEU C CA 14023 C C . LEU C 162 ? 0.8641 0.9085 0.6483 -0.0447 0.0293 -0.0143 165 LEU C C 14024 O O . LEU C 162 ? 0.9311 0.9791 0.7223 -0.0770 0.0211 -0.0026 165 LEU C O 14025 C CB . LEU C 162 ? 0.7582 0.6923 0.5385 -0.0336 0.0420 -0.0013 165 LEU C CB 14026 C CG . LEU C 162 ? 0.7501 0.6462 0.5346 -0.0120 0.0539 0.0051 165 LEU C CG 14027 C CD1 . LEU C 162 ? 0.7948 0.6312 0.5860 -0.0220 0.0524 0.0175 165 LEU C CD1 14028 C CD2 . LEU C 162 ? 0.7391 0.6870 0.5398 -0.0080 0.0588 0.0179 165 LEU C CD2 14029 N N . LYS C 163 ? 0.8152 0.8957 0.5956 -0.0299 0.0262 -0.0273 166 LYS C N 14030 C CA . LYS C 163 ? 0.8382 0.9716 0.6234 -0.0498 0.0123 -0.0305 166 LYS C CA 14031 C C . LYS C 163 ? 0.8106 1.0325 0.6236 -0.0474 0.0137 -0.0267 166 LYS C C 14032 O O . LYS C 163 ? 0.7666 1.0438 0.5888 -0.0410 0.0064 -0.0330 166 LYS C O 14033 C CB . LYS C 163 ? 0.8499 0.9731 0.6143 -0.0356 0.0052 -0.0447 166 LYS C CB 14034 C CG . LYS C 163 ? 0.9067 0.9524 0.6407 -0.0435 0.0043 -0.0544 166 LYS C CG 14035 C CD . LYS C 163 ? 0.9760 1.0108 0.7069 -0.0859 -0.0077 -0.0563 166 LYS C CD 14036 C CE . LYS C 163 ? 1.0828 1.0446 0.7814 -0.0923 -0.0079 -0.0748 166 LYS C CE 14037 N NZ . LYS C 163 ? 1.1680 1.1188 0.8603 -0.1359 -0.0212 -0.0831 166 LYS C NZ 14038 N N . ASP C 164 ? 0.8216 1.0635 0.6493 -0.0521 0.0232 -0.0168 167 ASP C N 14039 C CA . ASP C 164 ? 0.8488 1.1766 0.7015 -0.0499 0.0290 -0.0176 167 ASP C CA 14040 C C . ASP C 164 ? 0.8478 1.1989 0.7089 -0.0090 0.0354 -0.0343 167 ASP C C 14041 O O . ASP C 164 ? 0.6398 1.0498 0.5176 -0.0016 0.0298 -0.0401 167 ASP C O 14042 C CB . ASP C 164 ? 0.8501 1.2456 0.7181 -0.0853 0.0181 -0.0102 167 ASP C CB 14043 C CG . ASP C 164 ? 0.8856 1.3772 0.7805 -0.0862 0.0272 -0.0115 167 ASP C CG 14044 O OD1 . ASP C 164 ? 0.8965 1.3935 0.7938 -0.0710 0.0417 -0.0148 167 ASP C OD1 14045 O OD2 . ASP C 164 ? 0.8952 1.4613 0.8091 -0.1034 0.0206 -0.0110 167 ASP C OD2 14046 N N . CYS C 165 ? 0.8801 1.1834 0.7321 0.0174 0.0471 -0.0399 168 CYS C N 14047 C CA . CYS C 165 ? 0.8501 1.1528 0.7075 0.0564 0.0539 -0.0530 168 CYS C CA 14048 C C . CYS C 165 ? 0.8722 1.2269 0.7537 0.0708 0.0686 -0.0650 168 CYS C C 14049 O O . CYS C 165 ? 0.8559 1.2040 0.7461 0.1039 0.0771 -0.0774 168 CYS C O 14050 C CB . CYS C 165 ? 0.8582 1.0782 0.6917 0.0740 0.0591 -0.0534 168 CYS C CB 14051 S SG . CYS C 165 ? 0.9081 1.0658 0.7108 0.0574 0.0466 -0.0464 168 CYS C SG 14052 O OXT . CYS C 165 ? 0.8866 1.2910 0.7787 0.0488 0.0731 -0.0634 168 CYS C OXT 14053 N N . CYS D 16 ? 1.4579 2.0019 1.7376 0.5106 0.1216 0.2387 14 CYS D N 14054 C CA . CYS D 16 ? 1.4400 1.9478 1.6878 0.4930 0.1290 0.2199 14 CYS D CA 14055 C C . CYS D 16 ? 1.3872 1.9870 1.6952 0.4712 0.1330 0.2344 14 CYS D C 14056 O O . CYS D 16 ? 1.4102 1.9917 1.6983 0.4672 0.1531 0.2249 14 CYS D O 14057 C CB . CYS D 16 ? 1.5464 1.9606 1.7212 0.5221 0.1662 0.2055 14 CYS D CB 14058 S SG . CYS D 16 ? 1.6789 1.9720 1.7663 0.5408 0.1626 0.1880 14 CYS D SG 14059 N N . GLU D 17 ? 1.3169 2.0144 1.6955 0.4543 0.1132 0.2586 15 GLU D N 14060 C CA . GLU D 17 ? 1.2277 2.0199 1.6650 0.4288 0.1156 0.2771 15 GLU D CA 14061 C C . GLU D 17 ? 1.1078 1.9383 1.5674 0.3781 0.0704 0.2779 15 GLU D C 14062 O O . GLU D 17 ? 1.0236 1.8097 1.4481 0.3582 0.0584 0.2574 15 GLU D O 14063 C CB . GLU D 17 ? 1.2230 2.0966 1.7193 0.4482 0.1323 0.3080 15 GLU D CB 14064 C CG . GLU D 17 ? 1.2651 2.0909 1.7307 0.5013 0.1770 0.3071 15 GLU D CG 14065 C CD . GLU D 17 ? 1.2863 2.0516 1.7005 0.5106 0.2135 0.2888 15 GLU D CD 14066 O OE1 . GLU D 17 ? 1.2541 2.0633 1.6905 0.4819 0.2169 0.2905 15 GLU D OE1 14067 O OE2 . GLU D 17 ? 1.3405 2.0096 1.6865 0.5438 0.2379 0.2731 15 GLU D OE2 14068 N N . GLU D 18 ? 1.1003 2.0069 1.6118 0.3548 0.0432 0.3014 16 GLU D N 14069 C CA . GLU D 18 ? 1.0663 2.0008 1.5878 0.3014 -0.0008 0.3036 16 GLU D CA 14070 C C . GLU D 18 ? 1.0575 1.9470 1.5529 0.2965 -0.0337 0.2952 16 GLU D C 14071 O O . GLU D 18 ? 1.1198 2.0431 1.6306 0.2571 -0.0702 0.3065 16 GLU D O 14072 C CB . GLU D 18 ? 1.1132 2.1534 1.6977 0.2675 -0.0131 0.3357 16 GLU D CB 14073 C CG . GLU D 18 ? 1.1452 2.2318 1.7499 0.2503 0.0085 0.3423 16 GLU D CG 14074 C CD . GLU D 18 ? 1.1645 2.3474 1.8207 0.2022 -0.0127 0.3730 16 GLU D CD 14075 O OE1 . GLU D 18 ? 1.1672 2.3929 1.8552 0.1979 -0.0324 0.3949 16 GLU D OE1 14076 O OE2 . GLU D 18 ? 1.1742 2.3872 1.8354 0.1660 -0.0109 0.3757 16 GLU D OE2 14077 N N . VAL D 19 ? 0.9754 1.7841 1.4253 0.3324 -0.0217 0.2760 17 VAL D N 14078 C CA . VAL D 19 ? 0.8885 1.6486 1.3078 0.3268 -0.0506 0.2663 17 VAL D CA 14079 C C . VAL D 19 ? 0.8630 1.5810 1.2435 0.2918 -0.0747 0.2458 17 VAL D C 14080 O O . VAL D 19 ? 0.9089 1.5792 1.2556 0.2981 -0.0598 0.2259 17 VAL D O 14081 C CB . VAL D 19 ? 0.8461 1.5308 1.2238 0.3715 -0.0302 0.2533 17 VAL D CB 14082 C CG1 . VAL D 19 ? 0.8089 1.4463 1.1550 0.3629 -0.0600 0.2447 17 VAL D CG1 14083 C CG2 . VAL D 19 ? 0.8594 1.5818 1.2704 0.4093 -0.0042 0.2740 17 VAL D CG2 14084 N N . ILE D 20 ? 0.7891 1.5208 1.1700 0.2549 -0.1121 0.2512 18 ILE D N 14085 C CA . ILE D 20 ? 0.7318 1.4215 1.0705 0.2208 -0.1360 0.2333 18 ILE D CA 14086 C C . ILE D 20 ? 0.7142 1.3195 0.9995 0.2404 -0.1368 0.2111 18 ILE D C 14087 O O . ILE D 20 ? 0.7812 1.3721 1.0623 0.2549 -0.1429 0.2159 18 ILE D O 14088 C CB . ILE D 20 ? 0.7490 1.4753 1.0956 0.1694 -0.1744 0.2479 18 ILE D CB 14089 C CG1 . ILE D 20 ? 0.7564 1.5683 1.1556 0.1458 -0.1739 0.2729 18 ILE D CG1 14090 C CG2 . ILE D 20 ? 0.7785 1.4338 1.0632 0.1303 -0.1914 0.2224 18 ILE D CG2 14091 C CD1 . ILE D 20 ? 0.7629 1.5831 1.1630 0.1375 -0.1563 0.2654 18 ILE D CD1 14092 N N . CYS D 21 ? 0.6474 1.1766 0.8827 0.2312 -0.1272 0.1809 19 CYS D N 14093 C CA . CYS D 21 ? 0.6634 1.1116 0.8465 0.2408 -0.1273 0.1587 19 CYS D CA 14094 C C . CYS D 21 ? 0.6764 1.0792 0.8202 0.1997 -0.1456 0.1394 19 CYS D C 14095 O O . CYS D 21 ? 0.6806 1.0997 0.8277 0.1661 -0.1555 0.1396 19 CYS D O 14096 C CB . CYS D 21 ? 0.6648 1.0580 0.8211 0.2701 -0.0977 0.1419 19 CYS D CB 14097 S SG . CYS D 21 ? 0.6472 1.0275 0.7979 0.2544 -0.0793 0.1281 19 CYS D SG 14098 N N . HIS D 22 ? 0.7006 1.0430 0.8031 0.2029 -0.1486 0.1235 20 HIS D N 14099 C CA . HIS D 22 ? 0.7304 1.0296 0.7941 0.1705 -0.1628 0.1076 20 HIS D CA 14100 C C . HIS D 22 ? 0.6486 0.8799 0.6745 0.1785 -0.1484 0.0833 20 HIS D C 14101 O O . HIS D 22 ? 0.6545 0.8632 0.6708 0.2040 -0.1383 0.0813 20 HIS D O 14102 C CB . HIS D 22 ? 0.8600 1.1649 0.9122 0.1579 -0.1868 0.1188 20 HIS D CB 14103 C CG . HIS D 22 ? 1.0050 1.3811 1.0953 0.1435 -0.2077 0.1468 20 HIS D CG 14104 N ND1 . HIS D 22 ? 1.0586 1.4995 1.2003 0.1720 -0.2053 0.1720 20 HIS D ND1 14105 C CD2 . HIS D 22 ? 1.0905 1.4839 1.1739 0.1025 -0.2321 0.1560 20 HIS D CD2 14106 C CE1 . HIS D 22 ? 1.0856 1.5920 1.2603 0.1486 -0.2286 0.1977 20 HIS D CE1 14107 N NE2 . HIS D 22 ? 1.1130 1.5889 1.2493 0.1031 -0.2469 0.1884 20 HIS D NE2 14108 N N . ARG D 23 ? 0.6090 0.8079 0.6124 0.1560 -0.1482 0.0669 21 ARG D N 14109 C CA . ARG D 23 ? 0.6394 0.7831 0.6116 0.1575 -0.1385 0.0472 21 ARG D CA 14110 C C . ARG D 23 ? 0.7175 0.8346 0.6573 0.1378 -0.1491 0.0413 21 ARG D C 14111 O O . ARG D 23 ? 0.7785 0.8969 0.7064 0.1132 -0.1609 0.0428 21 ARG D O 14112 C CB . ARG D 23 ? 0.6130 0.7381 0.5838 0.1514 -0.1287 0.0349 21 ARG D CB 14113 C CG . ARG D 23 ? 0.6409 0.7205 0.5893 0.1528 -0.1200 0.0187 21 ARG D CG 14114 C CD . ARG D 23 ? 0.6665 0.7272 0.6091 0.1409 -0.1173 0.0089 21 ARG D CD 14115 N NE . ARG D 23 ? 0.6928 0.7624 0.6520 0.1465 -0.1119 0.0110 21 ARG D NE 14116 C CZ . ARG D 23 ? 0.7442 0.7982 0.6992 0.1373 -0.1112 0.0051 21 ARG D CZ 14117 N NH1 . ARG D 23 ? 0.7671 0.7940 0.7016 0.1254 -0.1142 -0.0032 21 ARG D NH1 14118 N NH2 . ARG D 23 ? 0.7721 0.8307 0.7370 0.1408 -0.1065 0.0077 21 ARG D NH2 14119 N N . LYS D 24 ? 0.7217 0.8092 0.6401 0.1463 -0.1443 0.0350 22 LYS D N 14120 C CA . LYS D 24 ? 0.7446 0.8050 0.6274 0.1305 -0.1517 0.0312 22 LYS D CA 14121 C C . LYS D 24 ? 0.7119 0.7339 0.5738 0.1368 -0.1355 0.0169 22 LYS D C 14122 O O . LYS D 24 ? 0.7397 0.7602 0.6154 0.1524 -0.1245 0.0143 22 LYS D O 14123 C CB . LYS D 24 ? 0.7644 0.8446 0.6471 0.1329 -0.1685 0.0481 22 LYS D CB 14124 C CG . LYS D 24 ? 0.8435 0.8934 0.6829 0.1128 -0.1799 0.0470 22 LYS D CG 14125 C CD . LYS D 24 ? 0.9529 1.0195 0.7942 0.1213 -0.1966 0.0650 22 LYS D CD 14126 C CE . LYS D 24 ? 1.0684 1.0973 0.8584 0.0991 -0.2090 0.0642 22 LYS D CE 14127 N NZ . LYS D 24 ? 1.1553 1.1811 0.9235 0.0660 -0.2262 0.0678 22 LYS D NZ 14128 N N . LEU D 25 ? 0.7392 0.7292 0.5651 0.1224 -0.1335 0.0089 23 LEU D N 14129 C CA . LEU D 25 ? 0.6991 0.6615 0.5074 0.1266 -0.1174 -0.0008 23 LEU D CA 14130 C C . LEU D 25 ? 0.7038 0.6541 0.4860 0.1241 -0.1248 0.0054 23 LEU D C 14131 O O . LEU D 25 ? 0.7023 0.6488 0.4627 0.1112 -0.1406 0.0122 23 LEU D O 14132 C CB . LEU D 25 ? 0.6821 0.6132 0.4645 0.1164 -0.1034 -0.0140 23 LEU D CB 14133 C CG . LEU D 25 ? 0.6475 0.5807 0.4501 0.1216 -0.0945 -0.0207 23 LEU D CG 14134 C CD1 . LEU D 25 ? 0.6493 0.5445 0.4206 0.1182 -0.0768 -0.0328 23 LEU D CD1 14135 C CD2 . LEU D 25 ? 0.5677 0.5222 0.4085 0.1382 -0.0873 -0.0190 23 LEU D CD2 14136 N N . ASN D 26 ? 0.6718 0.6134 0.4521 0.1334 -0.1158 0.0046 24 ASN D N 14137 C CA . ASN D 26 ? 0.6814 0.6034 0.4299 0.1300 -0.1222 0.0100 24 ASN D CA 14138 C C . ASN D 26 ? 0.7298 0.6206 0.4414 0.1142 -0.1082 0.0000 24 ASN D C 14139 O O . ASN D 26 ? 0.7257 0.6110 0.4381 0.1098 -0.0925 -0.0104 24 ASN D O 14140 C CB . ASN D 26 ? 0.6439 0.5632 0.3973 0.1450 -0.1213 0.0159 24 ASN D CB 14141 C CG . ASN D 26 ? 0.6610 0.5705 0.4157 0.1418 -0.1037 0.0084 24 ASN D CG 14142 O OD1 . ASN D 26 ? 0.6242 0.5395 0.3903 0.1354 -0.0901 -0.0003 24 ASN D OD1 14143 N ND2 . ASN D 26 ? 0.6438 0.5373 0.3852 0.1462 -0.1048 0.0138 24 ASN D ND2 14144 N N . HIS D 27 ? 0.8021 0.6693 0.4783 0.1073 -0.1118 0.0036 25 HIS D N 14145 C CA . HIS D 27 ? 0.8203 0.6557 0.4546 0.0905 -0.0971 -0.0047 25 HIS D CA 14146 C C . HIS D 27 ? 0.7871 0.6281 0.4369 0.0928 -0.0692 -0.0131 25 HIS D C 14147 O O . HIS D 27 ? 0.8856 0.7074 0.5097 0.0834 -0.0491 -0.0210 25 HIS D O 14148 C CB . HIS D 27 ? 0.7978 0.6050 0.3881 0.0809 -0.1086 0.0025 25 HIS D CB 14149 C CG . HIS D 27 ? 0.8276 0.6351 0.4232 0.0897 -0.1094 0.0088 25 HIS D CG 14150 N ND1 . HIS D 27 ? 0.8543 0.6414 0.4233 0.0778 -0.0949 0.0064 25 HIS D ND1 14151 C CD2 . HIS D 27 ? 0.8233 0.6431 0.4409 0.1076 -0.1217 0.0179 25 HIS D CD2 14152 C CE1 . HIS D 27 ? 0.8804 0.6632 0.4505 0.0847 -0.1018 0.0139 25 HIS D CE1 14153 N NE2 . HIS D 27 ? 0.8906 0.6888 0.4870 0.1047 -0.1168 0.0202 25 HIS D NE2 14154 N N . LEU D 28 ? 0.7580 0.6248 0.4478 0.1046 -0.0671 -0.0099 26 LEU D N 14155 C CA . LEU D 28 ? 0.7426 0.6255 0.4566 0.1054 -0.0453 -0.0129 26 LEU D CA 14156 C C . LEU D 28 ? 0.7665 0.6725 0.5216 0.1173 -0.0377 -0.0176 26 LEU D C 14157 O O . LEU D 28 ? 0.8526 0.7774 0.6345 0.1207 -0.0204 -0.0179 26 LEU D O 14158 C CB . LEU D 28 ? 0.7035 0.5930 0.4257 0.1038 -0.0506 -0.0038 26 LEU D CB 14159 C CG . LEU D 28 ? 0.7550 0.6150 0.4308 0.0902 -0.0562 0.0014 26 LEU D CG 14160 C CD1 . LEU D 28 ? 0.7191 0.5768 0.3943 0.0846 -0.0610 0.0105 26 LEU D CD1 14161 C CD2 . LEU D 28 ? 0.7662 0.6150 0.4149 0.0752 -0.0362 -0.0039 26 LEU D CD2 14162 N N . GLY D 29 ? 0.7465 0.6534 0.5079 0.1229 -0.0509 -0.0191 27 GLY D N 14163 C CA . GLY D 29 ? 0.7507 0.6722 0.5435 0.1323 -0.0463 -0.0232 27 GLY D CA 14164 C C . GLY D 29 ? 0.8268 0.7708 0.6547 0.1414 -0.0583 -0.0169 27 GLY D C 14165 O O . GLY D 29 ? 0.8803 0.8335 0.7307 0.1476 -0.0579 -0.0195 27 GLY D O 14166 N N . GLU D 30 ? 0.8609 0.8061 0.6865 0.1422 -0.0680 -0.0091 28 GLU D N 14167 C CA . GLU D 30 ? 0.9100 0.8651 0.7563 0.1510 -0.0769 -0.0036 28 GLU D CA 14168 C C . GLU D 30 ? 0.8771 0.8409 0.7306 0.1577 -0.0877 -0.0024 28 GLU D C 14169 O O . GLU D 30 ? 0.9209 0.8832 0.7590 0.1548 -0.0959 -0.0004 28 GLU D O 14170 C CB . GLU D 30 ? 1.0520 0.9914 0.8785 0.1509 -0.0831 0.0043 28 GLU D CB 14171 C CG . GLU D 30 ? 1.1898 1.1261 1.0140 0.1394 -0.0761 0.0073 28 GLU D CG 14172 C CD . GLU D 30 ? 1.2802 1.2355 1.1385 0.1392 -0.0732 0.0090 28 GLU D CD 14173 O OE1 . GLU D 30 ? 1.2959 1.2719 1.1772 0.1350 -0.0618 0.0082 28 GLU D OE1 14174 O OE2 . GLU D 30 ? 1.3324 1.2807 1.1933 0.1445 -0.0816 0.0122 28 GLU D OE2 14175 N N . ARG D 31 ? 0.8556 0.8308 0.7327 0.1642 -0.0887 -0.0017 29 ARG D N 14176 C CA . ARG D 31 ? 0.8359 0.8262 0.7240 0.1693 -0.0969 0.0019 29 ARG D CA 14177 C C . ARG D 31 ? 0.7563 0.7468 0.6385 0.1822 -0.1022 0.0117 29 ARG D C 14178 O O . ARG D 31 ? 0.7876 0.7623 0.6630 0.1893 -0.0986 0.0139 29 ARG D O 14179 C CB . ARG D 31 ? 0.8881 0.8860 0.7978 0.1705 -0.0943 -0.0008 29 ARG D CB 14180 C CG . ARG D 31 ? 0.9519 0.9513 0.8637 0.1614 -0.0942 -0.0073 29 ARG D CG 14181 C CD . ARG D 31 ? 1.0300 1.0321 0.9582 0.1619 -0.0938 -0.0088 29 ARG D CD 14182 N NE . ARG D 31 ? 1.1308 1.1246 1.0502 0.1519 -0.0953 -0.0143 29 ARG D NE 14183 C CZ . ARG D 31 ? 1.2259 1.1978 1.1349 0.1515 -0.0872 -0.0223 29 ARG D CZ 14184 N NH1 . ARG D 31 ? 1.2776 1.2468 1.1949 0.1602 -0.0768 -0.0237 29 ARG D NH1 14185 N NH2 . ARG D 31 ? 1.2948 1.2463 1.1832 0.1424 -0.0886 -0.0274 29 ARG D NH2 14186 N N . VAL D 32 ? 0.6793 0.6843 0.5604 0.1851 -0.1113 0.0191 30 VAL D N 14187 C CA . VAL D 32 ? 0.6874 0.6968 0.5668 0.2035 -0.1153 0.0311 30 VAL D CA 14188 C C . VAL D 32 ? 0.7109 0.7605 0.6221 0.2103 -0.1184 0.0400 30 VAL D C 14189 O O . VAL D 32 ? 0.7638 0.8373 0.6876 0.1948 -0.1268 0.0409 30 VAL D O 14190 C CB . VAL D 32 ? 0.7024 0.7013 0.5582 0.2030 -0.1253 0.0374 30 VAL D CB 14191 C CG1 . VAL D 32 ? 0.6782 0.6804 0.5331 0.2281 -0.1290 0.0520 30 VAL D CG1 14192 C CG2 . VAL D 32 ? 0.7491 0.7109 0.5727 0.1922 -0.1201 0.0291 30 VAL D CG2 14193 N N . THR D 33 ? 0.7090 0.7629 0.6285 0.2316 -0.1104 0.0471 31 THR D N 14194 C CA . THR D 33 ? 0.7030 0.8017 0.6563 0.2412 -0.1091 0.0587 31 THR D CA 14195 C C . THR D 33 ? 0.7017 0.8158 0.6606 0.2686 -0.1097 0.0759 31 THR D C 14196 O O . THR D 33 ? 0.7901 0.8637 0.7188 0.2878 -0.1027 0.0759 31 THR D O 14197 C CB . THR D 33 ? 0.7189 0.8103 0.6772 0.2464 -0.0941 0.0537 31 THR D CB 14198 O OG1 . THR D 33 ? 0.7026 0.7775 0.6558 0.2239 -0.0955 0.0397 31 THR D OG1 14199 C CG2 . THR D 33 ? 0.7380 0.8809 0.7328 0.2530 -0.0900 0.0662 31 THR D CG2 14200 N N . SER D 34 ? 0.6492 0.8204 0.6446 0.2698 -0.1193 0.0924 32 SER D N 14201 C CA . SER D 34 ? 0.7175 0.9125 0.7269 0.2997 -0.1210 0.1130 32 SER D CA 14202 C C . SER D 34 ? 0.7348 1.0075 0.8006 0.3054 -0.1214 0.1333 32 SER D C 14203 O O . SER D 34 ? 0.7675 1.0717 0.8545 0.2784 -0.1262 0.1314 32 SER D O 14204 C CB . SER D 34 ? 0.8228 1.0079 0.8139 0.2921 -0.1424 0.1187 32 SER D CB 14205 O OG . SER D 34 ? 0.8730 1.0897 0.8776 0.2584 -0.1627 0.1213 32 SER D OG 14206 N N . GLY D 35 ? 0.7274 1.0207 0.8147 0.3303 -0.1125 0.1497 33 GLY D N 14207 C CA . GLY D 35 ? 0.7488 1.1193 0.8949 0.3327 -0.1109 0.1711 33 GLY D CA 14208 C C . GLY D 35 ? 0.8000 1.1772 0.9600 0.3633 -0.0776 0.1749 33 GLY D C 14209 O O . GLY D 35 ? 0.8078 1.2453 1.0145 0.3750 -0.0714 0.1955 33 GLY D O 14210 N N . CYS D 36 ? 0.8145 1.1296 0.9316 0.3761 -0.0556 0.1568 34 CYS D N 14211 C CA . CYS D 36 ? 0.8182 1.1394 0.9431 0.4047 -0.0233 0.1629 34 CYS D CA 14212 C C . CYS D 36 ? 0.8397 1.1079 0.9282 0.4370 -0.0078 0.1641 34 CYS D C 14213 O O . CYS D 36 ? 0.8205 1.0180 0.8553 0.4359 -0.0145 0.1510 34 CYS D O 14214 C CB . CYS D 36 ? 0.8238 1.1074 0.9197 0.4029 -0.0056 0.1469 34 CYS D CB 14215 S SG . CYS D 36 ? 0.8496 1.1931 0.9844 0.3697 -0.0203 0.1467 34 CYS D SG 14216 N N . PRO D 37 ? 0.8923 1.1937 1.0070 0.4657 0.0134 0.1809 35 PRO D N 14217 C CA . PRO D 37 ? 0.9620 1.2066 1.0345 0.4998 0.0309 0.1823 35 PRO D CA 14218 C C . PRO D 37 ? 0.9675 1.1200 0.9647 0.5115 0.0560 0.1641 35 PRO D C 14219 O O . PRO D 37 ? 0.7866 0.9216 0.7687 0.4944 0.0596 0.1509 35 PRO D O 14220 C CB . PRO D 37 ? 0.7980 1.1139 0.9261 0.5269 0.0484 0.2070 35 PRO D CB 14221 C CG . PRO D 37 ? 0.7532 1.1412 0.9329 0.5096 0.0532 0.2131 35 PRO D CG 14222 C CD . PRO D 37 ? 0.6914 1.0861 0.8751 0.4675 0.0216 0.2013 35 PRO D CD 14223 N N . THR D 38 ? 1.0204 1.1090 0.9650 0.5395 0.0716 0.1642 36 THR D N 14224 C CA . THR D 38 ? 1.0929 1.0816 0.9517 0.5471 0.0923 0.1484 36 THR D CA 14225 C C . THR D 38 ? 1.1117 1.1098 0.9733 0.5611 0.1248 0.1512 36 THR D C 14226 O O . THR D 38 ? 1.1708 1.2170 1.0689 0.5885 0.1461 0.1687 36 THR D O 14227 C CB . THR D 38 ? 1.2475 1.1639 1.0434 0.5735 0.1012 0.1501 36 THR D CB 14228 O OG1 . THR D 38 ? 1.2825 1.1974 1.0813 0.5615 0.0713 0.1502 36 THR D OG1 14229 C CG2 . THR D 38 ? 1.3014 1.1039 0.9956 0.5716 0.1158 0.1333 36 THR D CG2 14230 N N . GLY D 39 ? 1.1009 1.0531 0.9238 0.5424 0.1286 0.1353 37 GLY D N 14231 C CA . GLY D 39 ? 1.0865 1.0369 0.9029 0.5517 0.1586 0.1362 37 GLY D CA 14232 C C . GLY D 39 ? 0.9852 1.0084 0.8632 0.5292 0.1514 0.1360 37 GLY D C 14233 O O . GLY D 39 ? 1.0279 1.0512 0.9011 0.5347 0.1765 0.1364 37 GLY D O 14234 N N . CYS D 40 ? 0.8921 0.9729 0.8223 0.5036 0.1189 0.1359 38 CYS D N 14235 C CA . CYS D 40 ? 0.9127 1.0571 0.8939 0.4800 0.1090 0.1359 38 CYS D CA 14236 C C . CYS D 40 ? 0.9020 1.0031 0.8546 0.4507 0.0822 0.1173 38 CYS D C 14237 O O . CYS D 40 ? 0.9308 0.9649 0.8337 0.4458 0.0698 0.1065 38 CYS D O 14238 C CB . CYS D 40 ? 0.9755 1.2314 1.0436 0.4711 0.0919 0.1554 38 CYS D CB 14239 S SG . CYS D 40 ? 1.1390 1.4449 1.2450 0.5033 0.1060 0.1801 38 CYS D SG 14240 N N . LEU D 41 ? 0.8551 0.9957 0.8388 0.4244 0.0725 0.1137 39 LEU D N 14241 C CA . LEU D 41 ? 0.8232 0.9322 0.7880 0.3819 0.0450 0.0954 39 LEU D CA 14242 C C . LEU D 41 ? 0.7631 0.9494 0.7870 0.3512 0.0228 0.1001 39 LEU D C 14243 O O . LEU D 41 ? 0.7208 0.9710 0.7876 0.3482 0.0311 0.1123 39 LEU D O 14244 C CB . LEU D 41 ? 0.8242 0.8683 0.7398 0.3642 0.0539 0.0800 39 LEU D CB 14245 C CG . LEU D 41 ? 0.7567 0.7697 0.6563 0.3252 0.0269 0.0639 39 LEU D CG 14246 C CD1 . LEU D 41 ? 0.6971 0.6711 0.5701 0.3264 0.0112 0.0591 39 LEU D CD1 14247 C CD2 . LEU D 41 ? 0.7228 0.6765 0.5770 0.3089 0.0333 0.0534 39 LEU D CD2 14248 N N . CYS D 42 ? 0.7709 0.9482 0.7920 0.3273 -0.0043 0.0914 40 CYS D N 14249 C CA . CYS D 42 ? 0.7105 0.9408 0.7694 0.2956 -0.0264 0.0936 40 CYS D CA 14250 C C . CYS D 42 ? 0.6518 0.8571 0.6956 0.2642 -0.0306 0.0785 40 CYS D C 14251 O O . CYS D 42 ? 0.7053 0.8521 0.7130 0.2553 -0.0355 0.0628 40 CYS D O 14252 C CB . CYS D 42 ? 0.6468 0.8711 0.7014 0.2862 -0.0499 0.0911 40 CYS D CB 14253 S SG . CYS D 42 ? 0.6562 0.9276 0.7389 0.2459 -0.0764 0.0934 40 CYS D SG 14254 N N . VAL D 43 ? 0.5873 0.8382 0.6592 0.2469 -0.0299 0.0853 41 VAL D N 14255 C CA . VAL D 43 ? 0.6087 0.8363 0.6654 0.2164 -0.0363 0.0731 41 VAL D CA 14256 C C . VAL D 43 ? 0.5914 0.8465 0.6635 0.1856 -0.0606 0.0739 41 VAL D C 14257 O O . VAL D 43 ? 0.5694 0.8863 0.6755 0.1773 -0.0672 0.0906 41 VAL D O 14258 C CB . VAL D 43 ? 0.6280 0.8711 0.6896 0.2149 -0.0168 0.0788 41 VAL D CB 14259 C CG1 . VAL D 43 ? 0.6191 0.8374 0.6630 0.1809 -0.0280 0.0679 41 VAL D CG1 14260 C CG2 . VAL D 43 ? 0.6695 0.8658 0.6983 0.2435 0.0086 0.0755 41 VAL D CG2 14261 N N . ILE D 44 ? 0.5923 0.7999 0.6368 0.1687 -0.0735 0.0577 42 ILE D N 14262 C CA . ILE D 44 ? 0.5604 0.7699 0.6009 0.1402 -0.0935 0.0545 42 ILE D CA 14263 C C . ILE D 44 ? 0.5894 0.7742 0.6124 0.1176 -0.0954 0.0469 42 ILE D C 14264 O O . ILE D 44 ? 0.5766 0.7147 0.5781 0.1222 -0.0905 0.0349 42 ILE D O 14265 C CB . ILE D 44 ? 0.5049 0.6751 0.5236 0.1423 -0.1025 0.0424 42 ILE D CB 14266 C CG1 . ILE D 44 ? 0.4845 0.6706 0.5126 0.1630 -0.1019 0.0498 42 ILE D CG1 14267 C CG2 . ILE D 44 ? 0.5150 0.6739 0.5173 0.1147 -0.1188 0.0378 42 ILE D CG2 14268 C CD1 . ILE D 44 ? 0.5139 0.7461 0.5606 0.1525 -0.1165 0.0646 42 ILE D CD1 14269 N N . ARG D 45 ? 0.6061 0.8204 0.6358 0.0907 -0.1050 0.0556 43 ARG D N 14270 C CA . ARG D 45 ? 0.6430 0.8302 0.6499 0.0663 -0.1085 0.0500 43 ARG D CA 14271 C C . ARG D 45 ? 0.7581 0.8951 0.7285 0.0471 -0.1249 0.0378 43 ARG D C 14272 O O . ARG D 45 ? 0.8717 0.9829 0.8165 0.0230 -0.1320 0.0351 43 ARG D O 14273 C CB . ARG D 45 ? 0.5743 0.8174 0.6024 0.0441 -0.1086 0.0676 43 ARG D CB 14274 C CG . ARG D 45 ? 0.5947 0.8859 0.6578 0.0680 -0.0857 0.0802 43 ARG D CG 14275 C CD . ARG D 45 ? 0.7302 1.0904 0.8235 0.0465 -0.0833 0.1012 43 ARG D CD 14276 N NE . ARG D 45 ? 0.8423 1.2507 0.9709 0.0759 -0.0556 0.1145 43 ARG D NE 14277 C CZ . ARG D 45 ? 0.9270 1.3151 1.0417 0.0846 -0.0320 0.1104 43 ARG D CZ 14278 N NH1 . ARG D 45 ? 0.9513 1.2758 1.0215 0.0644 -0.0367 0.0947 43 ARG D NH1 14279 N NH2 . ARG D 45 ? 0.9371 1.3641 1.0783 0.1148 -0.0031 0.1228 43 ARG D NH2 14280 N N . GLU D 46 ? 0.7642 0.8815 0.7265 0.0582 -0.1290 0.0305 44 GLU D N 14281 C CA . GLU D 46 ? 0.7801 0.8447 0.7045 0.0472 -0.1382 0.0183 44 GLU D CA 14282 C C . GLU D 46 ? 0.6902 0.7083 0.6040 0.0676 -0.1295 0.0043 44 GLU D C 14283 O O . GLU D 46 ? 0.6583 0.6846 0.5917 0.0876 -0.1198 0.0043 44 GLU D O 14284 C CB . GLU D 46 ? 0.8465 0.9175 0.7657 0.0462 -0.1456 0.0199 44 GLU D CB 14285 C CG . GLU D 46 ? 0.9132 1.0344 0.8451 0.0234 -0.1598 0.0379 44 GLU D CG 14286 C CD . GLU D 46 ? 1.0369 1.1431 0.9375 -0.0153 -0.1745 0.0419 44 GLU D CD 14287 O OE1 . GLU D 46 ? 1.1041 1.1428 0.9557 -0.0244 -0.1763 0.0276 44 GLU D OE1 14288 O OE2 . GLU D 46 ? 1.0782 1.2395 1.0018 -0.0366 -0.1836 0.0606 44 GLU D OE2 14289 N N . PRO D 47 ? 0.7048 0.6718 0.5856 0.0630 -0.1329 -0.0062 45 PRO D N 14290 C CA . PRO D 47 ? 0.6582 0.5928 0.5390 0.0851 -0.1252 -0.0154 45 PRO D CA 14291 C C . PRO D 47 ? 0.7140 0.6650 0.6143 0.1049 -0.1177 -0.0165 45 PRO D C 14292 O O . PRO D 47 ? 0.8065 0.7778 0.7083 0.1019 -0.1192 -0.0135 45 PRO D O 14293 C CB . PRO D 47 ? 0.6356 0.5152 0.4756 0.0790 -0.1279 -0.0240 45 PRO D CB 14294 C CG . PRO D 47 ? 0.6405 0.5130 0.4523 0.0482 -0.1394 -0.0197 45 PRO D CG 14295 C CD . PRO D 47 ? 0.7321 0.6646 0.5705 0.0369 -0.1436 -0.0082 45 PRO D CD 14296 N N . ASP D 48 ? 0.6816 0.6230 0.5952 0.1226 -0.1118 -0.0190 46 ASP D N 14297 C CA . ASP D 48 ? 0.6357 0.5923 0.5662 0.1374 -0.1054 -0.0182 46 ASP D CA 14298 C C . ASP D 48 ? 0.6909 0.6366 0.6086 0.1403 -0.1004 -0.0238 46 ASP D C 14299 O O . ASP D 48 ? 0.7465 0.7072 0.6716 0.1465 -0.0965 -0.0223 46 ASP D O 14300 C CB . ASP D 48 ? 0.6682 0.6176 0.6136 0.1489 -0.1037 -0.0165 46 ASP D CB 14301 C CG . ASP D 48 ? 0.7242 0.6743 0.6716 0.1447 -0.1076 -0.0113 46 ASP D CG 14302 O OD1 . ASP D 48 ? 0.8033 0.7703 0.7490 0.1392 -0.1063 -0.0079 46 ASP D OD1 14303 O OD2 . ASP D 48 ? 0.7182 0.6527 0.6687 0.1471 -0.1116 -0.0089 46 ASP D OD2 14304 N N . ASN D 49 ? 0.6567 0.5691 0.5476 0.1358 -0.0992 -0.0304 47 ASN D N 14305 C CA . ASN D 49 ? 0.6239 0.5153 0.4933 0.1401 -0.0898 -0.0368 47 ASN D CA 14306 C C . ASN D 49 ? 0.6757 0.5626 0.5147 0.1208 -0.0969 -0.0368 47 ASN D C 14307 O O . ASN D 49 ? 0.6707 0.5296 0.4785 0.1200 -0.0895 -0.0427 47 ASN D O 14308 C CB . ASN D 49 ? 0.6183 0.4649 0.4654 0.1497 -0.0809 -0.0438 47 ASN D CB 14309 C CG . ASN D 49 ? 0.7243 0.5316 0.5289 0.1316 -0.0902 -0.0470 47 ASN D CG 14310 O OD1 . ASN D 49 ? 0.7695 0.5945 0.5761 0.1121 -0.1043 -0.0415 47 ASN D OD1 14311 N ND2 . ASN D 49 ? 0.7558 0.5073 0.5184 0.1376 -0.0810 -0.0548 47 ASN D ND2 14312 N N . VAL D 50 ? 0.6988 0.6135 0.5454 0.1047 -0.1108 -0.0285 48 VAL D N 14313 C CA . VAL D 50 ? 0.7851 0.7070 0.6108 0.0837 -0.1227 -0.0231 48 VAL D CA 14314 C C . VAL D 50 ? 0.8382 0.7928 0.6850 0.0934 -0.1221 -0.0174 48 VAL D C 14315 O O . VAL D 50 ? 0.8235 0.8178 0.7062 0.1035 -0.1232 -0.0091 48 VAL D O 14316 C CB . VAL D 50 ? 0.7358 0.6841 0.5681 0.0619 -0.1379 -0.0123 48 VAL D CB 14317 C CG1 . VAL D 50 ? 0.7045 0.6701 0.5220 0.0378 -0.1544 -0.0017 48 VAL D CG1 14318 C CG2 . VAL D 50 ? 0.7495 0.6559 0.5514 0.0494 -0.1397 -0.0181 48 VAL D CG2 14319 N N . ASP D 51 ? 0.9038 0.8344 0.7211 0.0905 -0.1192 -0.0219 49 ASP D N 14320 C CA . ASP D 51 ? 0.8847 0.8360 0.7136 0.0991 -0.1186 -0.0173 49 ASP D CA 14321 C C . ASP D 51 ? 0.7437 0.7357 0.5877 0.0893 -0.1369 -0.0018 49 ASP D C 14322 O O . ASP D 51 ? 0.7442 0.7709 0.6214 0.1050 -0.1367 0.0065 49 ASP D O 14323 C CB . ASP D 51 ? 0.9965 0.9073 0.7831 0.0953 -0.1100 -0.0258 49 ASP D CB 14324 C CG . ASP D 51 ? 1.0152 0.8992 0.7994 0.1125 -0.0871 -0.0375 49 ASP D CG 14325 O OD1 . ASP D 51 ? 1.0017 0.9091 0.8255 0.1292 -0.0805 -0.0362 49 ASP D OD1 14326 O OD2 . ASP D 51 ? 1.0635 0.9024 0.8047 0.1092 -0.0755 -0.0464 49 ASP D OD2 14327 N N . ASN D 52 ? 0.6947 0.6813 0.5121 0.0635 -0.1532 0.0043 50 ASN D N 14328 C CA . ASN D 52 ? 0.6976 0.7324 0.5357 0.0525 -0.1735 0.0238 50 ASN D CA 14329 C C . ASN D 52 ? 0.7053 0.7775 0.5724 0.0433 -0.1800 0.0336 50 ASN D C 14330 O O . ASN D 52 ? 0.7559 0.8086 0.5951 0.0160 -0.1895 0.0333 50 ASN D O 14331 C CB . ASN D 52 ? 0.7209 0.7327 0.5131 0.0237 -0.1920 0.0292 50 ASN D CB 14332 C CG . ASN D 52 ? 0.8277 0.8115 0.5942 0.0321 -0.1866 0.0235 50 ASN D CG 14333 O OD1 . ASN D 52 ? 0.8336 0.8106 0.6131 0.0572 -0.1674 0.0138 50 ASN D OD1 14334 N ND2 . ASN D 52 ? 0.9554 0.9213 0.6818 0.0073 -0.2052 0.0310 50 ASN D ND2 14335 N N . ALA D 53 ? 0.6861 0.8063 0.6025 0.0648 -0.1735 0.0424 51 ALA D N 14336 C CA . ALA D 53 ? 0.7279 0.8855 0.6735 0.0589 -0.1740 0.0516 51 ALA D CA 14337 C C . ALA D 53 ? 0.6955 0.9235 0.6903 0.0718 -0.1775 0.0738 51 ALA D C 14338 O O . ALA D 53 ? 0.6710 0.9102 0.6778 0.0942 -0.1755 0.0789 51 ALA D O 14339 C CB . ALA D 53 ? 0.7195 0.8550 0.6707 0.0759 -0.1550 0.0380 51 ALA D CB 14340 N N . ASN D 54 ? 0.7491 1.0241 0.7712 0.0582 -0.1817 0.0882 52 ASN D N 14341 C CA . ASN D 54 ? 0.7221 1.0725 0.7988 0.0745 -0.1794 0.1117 52 ASN D CA 14342 C C . ASN D 54 ? 0.7162 1.0795 0.8151 0.0913 -0.1563 0.1093 52 ASN D C 14343 O O . ASN D 54 ? 0.6963 1.0325 0.7757 0.0729 -0.1533 0.0986 52 ASN D O 14344 C CB . ASN D 54 ? 0.7367 1.1469 0.8339 0.0417 -0.2038 0.1372 52 ASN D CB 14345 C CG . ASN D 54 ? 0.7978 1.1981 0.8723 0.0258 -0.2287 0.1441 52 ASN D CG 14346 O OD1 . ASN D 54 ? 0.8035 1.2456 0.9085 0.0442 -0.2353 0.1618 52 ASN D OD1 14347 N ND2 . ASN D 54 ? 0.8448 1.1829 0.8598 -0.0072 -0.2417 0.1303 52 ASN D ND2 14348 N N . GLY D 55 ? 0.6394 1.0360 0.7717 0.1268 -0.1396 0.1194 53 GLY D N 14349 C CA . GLY D 55 ? 0.5637 0.9684 0.7105 0.1446 -0.1149 0.1186 53 GLY D CA 14350 C C . GLY D 55 ? 0.5636 1.0407 0.7611 0.1714 -0.1018 0.1436 53 GLY D C 14351 O O . GLY D 55 ? 0.5699 1.0991 0.7982 0.1745 -0.1158 0.1642 53 GLY D O 14352 N N . THR D 56 ? 0.4594 0.9391 0.6644 0.1922 -0.0741 0.1434 54 THR D N 14353 C CA . THR D 56 ? 0.4653 1.0104 0.7166 0.2249 -0.0536 0.1670 54 THR D CA 14354 C C . THR D 56 ? 0.5843 1.0751 0.8076 0.2687 -0.0241 0.1563 54 THR D C 14355 O O . THR D 56 ? 0.6101 1.0245 0.7842 0.2650 -0.0178 0.1331 54 THR D O 14356 C CB . THR D 56 ? 0.5299 1.1394 0.8169 0.2068 -0.0431 0.1828 54 THR D CB 14357 O OG1 . THR D 56 ? 0.5918 1.1432 0.8381 0.1918 -0.0309 0.1618 54 THR D OG1 14358 C CG2 . THR D 56 ? 0.4589 1.1268 0.7723 0.1613 -0.0750 0.1993 54 THR D CG2 14359 N N . CYS D 57 ? 0.5857 1.1137 0.8377 0.3101 -0.0073 0.1753 55 CYS D N 14360 C CA . CYS D 57 ? 0.6146 1.0835 0.8305 0.3541 0.0217 0.1678 55 CYS D CA 14361 C C . CYS D 57 ? 0.6802 1.1582 0.8988 0.3700 0.0583 0.1718 55 CYS D C 14362 O O . CYS D 57 ? 0.6922 1.2554 0.9659 0.3670 0.0673 0.1930 55 CYS D O 14363 C CB . CYS D 57 ? 0.6607 1.1431 0.8906 0.3891 0.0237 0.1830 55 CYS D CB 14364 S SG . CYS D 57 ? 0.6484 1.1196 0.8720 0.3674 -0.0175 0.1803 55 CYS D SG 14365 N N . TYR D 58 ? 0.7220 1.1109 0.8777 0.3846 0.0792 0.1530 56 TYR D N 14366 C CA . TYR D 58 ? 0.7045 1.0801 0.8438 0.4011 0.1171 0.1539 56 TYR D CA 14367 C C . TYR D 58 ? 0.6839 0.9888 0.7718 0.4501 0.1469 0.1514 56 TYR D C 14368 O O . TYR D 58 ? 0.7042 0.9365 0.7435 0.4563 0.1343 0.1388 56 TYR D O 14369 C CB . TYR D 58 ? 0.6847 1.0052 0.7809 0.3622 0.1129 0.1330 56 TYR D CB 14370 C CG . TYR D 58 ? 0.6561 1.0402 0.7940 0.3181 0.0935 0.1377 56 TYR D CG 14371 C CD1 . TYR D 58 ? 0.5880 0.9756 0.7330 0.2833 0.0554 0.1304 56 TYR D CD1 14372 C CD2 . TYR D 58 ? 0.7248 1.1596 0.8881 0.3103 0.1149 0.1499 56 TYR D CD2 14373 C CE1 . TYR D 58 ? 0.5197 0.9512 0.6894 0.2418 0.0374 0.1344 56 TYR D CE1 14374 C CE2 . TYR D 58 ? 0.7322 1.2177 0.9249 0.2656 0.0954 0.1550 56 TYR D CE2 14375 C CZ . TYR D 58 ? 0.5298 1.0092 0.7222 0.2315 0.0557 0.1470 56 TYR D CZ 14376 O OH . TYR D 58 ? 0.6387 1.1545 0.8470 0.1861 0.0360 0.1518 56 TYR D OH 14377 N N . ALA D 59 ? 0.7267 1.0482 0.8196 0.4821 0.1874 0.1638 57 ALA D N 14378 C CA . ALA D 59 ? 0.8553 1.0945 0.8848 0.5136 0.2132 0.1602 57 ALA D CA 14379 C C . ALA D 59 ? 0.9430 1.0591 0.8761 0.5104 0.2217 0.1362 57 ALA D C 14380 O O . ALA D 59 ? 0.9358 1.0312 0.8466 0.4941 0.2340 0.1271 57 ALA D O 14381 C CB . ALA D 59 ? 0.8525 1.1356 0.9071 0.5392 0.2521 0.1791 57 ALA D CB 14382 N N . LEU D 60 ? 0.9606 0.9918 0.8317 0.5156 0.2108 0.1261 58 LEU D N 14383 C CA . LEU D 60 ? 1.0174 0.9238 0.7881 0.5092 0.2154 0.1069 58 LEU D CA 14384 C C . LEU D 60 ? 1.2005 1.0395 0.9056 0.5345 0.2548 0.1104 58 LEU D C 14385 O O . LEU D 60 ? 1.2581 1.1327 0.9877 0.5634 0.2745 0.1269 58 LEU D O 14386 C CB . LEU D 60 ? 0.9835 0.8332 0.7159 0.4983 0.1847 0.0976 58 LEU D CB 14387 C CG . LEU D 60 ? 0.9755 0.7901 0.6890 0.4626 0.1520 0.0812 58 LEU D CG 14388 C CD1 . LEU D 60 ? 0.9410 0.8278 0.7138 0.4270 0.1396 0.0795 58 LEU D CD1 14389 C CD2 . LEU D 60 ? 0.8702 0.6971 0.6008 0.4552 0.1204 0.0811 58 LEU D CD2 14390 N N . MET D 61 ? 1.3228 1.0586 0.9394 0.5222 0.2648 0.0956 59 MET D N 14391 C CA . MET D 61 ? 1.5083 1.1615 1.0456 0.5411 0.2999 0.0983 59 MET D CA 14392 C C . MET D 61 ? 1.7982 1.3797 1.2737 0.5558 0.2954 0.1006 59 MET D C 14393 O O . MET D 61 ? 1.7802 1.3710 1.2699 0.5477 0.2651 0.0978 59 MET D O 14394 C CB . MET D 61 ? 1.4779 1.0334 0.9291 0.5156 0.3066 0.0827 59 MET D CB 14395 C CG . MET D 61 ? 1.4010 1.0146 0.8962 0.5025 0.3185 0.0799 59 MET D CG 14396 S SD . MET D 61 ? 1.4142 1.0748 0.9345 0.5308 0.3712 0.0970 59 MET D SD 14397 C CE . MET D 61 ? 1.5457 1.0406 0.9206 0.5295 0.3950 0.0894 59 MET D CE # loop_ _pdbx_poly_seq_scheme.asym_id _pdbx_poly_seq_scheme.entity_id _pdbx_poly_seq_scheme.seq_id _pdbx_poly_seq_scheme.mon_id _pdbx_poly_seq_scheme.ndb_seq_num _pdbx_poly_seq_scheme.pdb_seq_num _pdbx_poly_seq_scheme.auth_seq_num _pdbx_poly_seq_scheme.pdb_mon_id _pdbx_poly_seq_scheme.auth_mon_id _pdbx_poly_seq_scheme.pdb_strand_id _pdbx_poly_seq_scheme.pdb_ins_code _pdbx_poly_seq_scheme.hetero A 1 1 GLN 1 19 ? ? ? B . n A 1 2 GLU 2 20 20 GLU GLU B . n A 1 3 GLN 3 21 21 GLN GLN B . n A 1 4 THR 4 22 22 THR THR B . n A 1 5 TYR 5 23 23 TYR TYR B . n A 1 6 VAL 6 24 24 VAL VAL B . n A 1 7 ILE 7 25 25 ILE ILE B . n A 1 8 SER 8 26 26 SER SER B . n A 1 9 ALA 9 27 27 ALA ALA B . n A 1 10 PRO 10 28 28 PRO PRO B . n A 1 11 LYS 11 29 29 LYS LYS B . n A 1 12 ILE 12 30 30 ILE ILE B . n A 1 13 PHE 13 31 31 PHE PHE B . n A 1 14 ARG 14 32 32 ARG ARG B . n A 1 15 VAL 15 33 33 VAL VAL B . n A 1 16 GLY 16 34 34 GLY GLY B . n A 1 17 ALA 17 35 35 ALA ALA B . n A 1 18 SER 18 36 36 SER SER B . n A 1 19 GLU 19 37 37 GLU GLU B . n A 1 20 ASN 20 38 38 ASN ASN B . n A 1 21 ILE 21 39 39 ILE ILE B . n A 1 22 VAL 22 40 40 VAL VAL B . n A 1 23 ILE 23 41 41 ILE ILE B . n A 1 24 GLN 24 42 42 GLN GLN B . n A 1 25 VAL 25 43 43 VAL VAL B . n A 1 26 TYR 26 44 44 TYR TYR B . n A 1 27 GLY 27 45 45 GLY GLY B . n A 1 28 TYR 28 46 46 TYR TYR B . n A 1 29 THR 29 47 47 THR THR B . n A 1 30 GLU 30 48 48 GLU GLU B . n A 1 31 ALA 31 49 49 ALA ALA B . n A 1 32 PHE 32 50 50 PHE PHE B . n A 1 33 ASP 33 51 51 ASP ASP B . n A 1 34 ALA 34 52 52 ALA ALA B . n A 1 35 THR 35 53 53 THR THR B . n A 1 36 ILE 36 54 54 ILE ILE B . n A 1 37 SER 37 55 55 SER SER B . n A 1 38 ILE 38 56 56 ILE ILE B . n A 1 39 LYS 39 57 57 LYS LYS B . n A 1 40 SER 40 58 58 SER SER B . n A 1 41 TYR 41 59 59 TYR TYR B . n A 1 42 PRO 42 60 60 PRO PRO B . n A 1 43 ASP 43 61 61 ASP ASP B . n A 1 44 LYS 44 62 62 LYS LYS B . n A 1 45 LYS 45 63 63 LYS LYS B . n A 1 46 PHE 46 64 64 PHE PHE B . n A 1 47 SER 47 65 65 SER SER B . n A 1 48 TYR 48 66 66 TYR TYR B . n A 1 49 SER 49 67 67 SER SER B . n A 1 50 SER 50 68 68 SER SER B . n A 1 51 GLY 51 69 69 GLY GLY B . n A 1 52 HIS 52 70 70 HIS HIS B . n A 1 53 VAL 53 71 71 VAL VAL B . n A 1 54 HIS 54 72 72 HIS HIS B . n A 1 55 LEU 55 73 73 LEU LEU B . n A 1 56 SER 56 74 74 SER SER B . n A 1 57 SER 57 75 75 SER SER B . n A 1 58 GLU 58 76 76 GLU GLU B . n A 1 59 ASN 59 77 77 ASN ASN B . n A 1 60 LYS 60 78 78 LYS LYS B . n A 1 61 PHE 61 79 79 PHE PHE B . n A 1 62 GLN 62 80 80 GLN GLN B . n A 1 63 ASN 63 81 81 ASN ASN B . n A 1 64 SER 64 82 82 SER SER B . n A 1 65 ALA 65 83 83 ALA ALA B . n A 1 66 ILE 66 84 84 ILE ILE B . n A 1 67 LEU 67 85 85 LEU LEU B . n A 1 68 THR 68 86 86 THR THR B . n A 1 69 ILE 69 87 87 ILE ILE B . n A 1 70 GLN 70 88 88 GLN GLN B . n A 1 71 PRO 71 89 89 PRO PRO B . n A 1 72 LYS 72 90 90 LYS LYS B . n A 1 73 GLN 73 91 91 GLN GLN B . n A 1 74 LEU 74 92 92 LEU LEU B . n A 1 75 PRO 75 93 93 PRO PRO B . n A 1 76 GLY 76 94 94 GLY GLY B . n A 1 77 GLY 77 95 95 GLY GLY B . n A 1 78 GLN 78 96 96 GLN GLN B . n A 1 79 ASN 79 97 97 ASN ASN B . n A 1 80 PRO 80 98 98 PRO PRO B . n A 1 81 VAL 81 99 99 VAL VAL B . n A 1 82 SER 82 100 100 SER SER B . n A 1 83 TYR 83 101 101 TYR TYR B . n A 1 84 VAL 84 102 102 VAL VAL B . n A 1 85 TYR 85 103 103 TYR TYR B . n A 1 86 LEU 86 104 104 LEU LEU B . n A 1 87 GLU 87 105 105 GLU GLU B . n A 1 88 VAL 88 106 106 VAL VAL B . n A 1 89 VAL 89 107 107 VAL VAL B . n A 1 90 SER 90 108 108 SER SER B . n A 1 91 LYS 91 109 109 LYS LYS B . n A 1 92 HIS 92 110 110 HIS HIS B . n A 1 93 PHE 93 111 111 PHE PHE B . n A 1 94 SER 94 112 112 SER SER B . n A 1 95 LYS 95 113 113 LYS LYS B . n A 1 96 SER 96 114 114 SER SER B . n A 1 97 LYS 97 115 115 LYS LYS B . n A 1 98 ARG 98 116 116 ARG ARG B . n A 1 99 MET 99 117 117 MET MET B . n A 1 100 PRO 100 118 118 PRO PRO B . n A 1 101 ILE 101 119 119 ILE ILE B . n A 1 102 THR 102 120 120 THR THR B . n A 1 103 TYR 103 121 121 TYR TYR B . n A 1 104 ASP 104 122 122 ASP ASP B . n A 1 105 ASN 105 123 123 ASN ASN B . n A 1 106 GLY 106 124 124 GLY GLY B . n A 1 107 PHE 107 125 125 PHE PHE B . n A 1 108 LEU 108 126 126 LEU LEU B . n A 1 109 PHE 109 127 127 PHE PHE B . n A 1 110 ILE 110 128 128 ILE ILE B . n A 1 111 HIS 111 129 129 HIS HIS B . n A 1 112 THR 112 130 130 THR THR B . n A 1 113 ASP 113 131 131 ASP ASP B . n A 1 114 LYS 114 132 132 LYS LYS B . n A 1 115 PRO 115 133 133 PRO PRO B . n A 1 116 VAL 116 134 134 VAL VAL B . n A 1 117 TYR 117 135 135 TYR TYR B . n A 1 118 THR 118 136 136 THR THR B . n A 1 119 PRO 119 137 137 PRO PRO B . n A 1 120 ASP 120 138 138 ASP ASP B . n A 1 121 GLN 121 139 139 GLN GLN B . n A 1 122 SER 122 140 140 SER SER B . n A 1 123 VAL 123 141 141 VAL VAL B . n A 1 124 LYS 124 142 142 LYS LYS B . n A 1 125 VAL 125 143 143 VAL VAL B . n A 1 126 ARG 126 144 144 ARG ARG B . n A 1 127 VAL 127 145 145 VAL VAL B . n A 1 128 TYR 128 146 146 TYR TYR B . n A 1 129 SER 129 147 147 SER SER B . n A 1 130 LEU 130 148 148 LEU LEU B . n A 1 131 ASN 131 149 149 ASN ASN B . n A 1 132 ASP 132 150 150 ASP ASP B . n A 1 133 ASP 133 151 151 ASP ASP B . n A 1 134 LEU 134 152 152 LEU LEU B . n A 1 135 LYS 135 153 153 LYS LYS B . n A 1 136 PRO 136 154 154 PRO PRO B . n A 1 137 ALA 137 155 155 ALA ALA B . n A 1 138 LYS 138 156 156 LYS LYS B . n A 1 139 ARG 139 157 157 ARG ARG B . n A 1 140 GLU 140 158 158 GLU GLU B . n A 1 141 THR 141 159 159 THR THR B . n A 1 142 VAL 142 160 160 VAL VAL B . n A 1 143 LEU 143 161 161 LEU LEU B . n A 1 144 THR 144 162 162 THR THR B . n A 1 145 PHE 145 163 163 PHE PHE B . n A 1 146 ILE 146 164 164 ILE ILE B . n A 1 147 ASP 147 165 165 ASP ASP B . n A 1 148 PRO 148 166 166 PRO PRO B . n A 1 149 GLU 149 167 167 GLU GLU B . n A 1 150 GLY 150 168 168 GLY GLY B . n A 1 151 SER 151 169 169 SER SER B . n A 1 152 GLU 152 170 170 GLU GLU B . n A 1 153 VAL 153 171 171 VAL VAL B . n A 1 154 ASP 154 172 172 ASP ASP B . n A 1 155 MET 155 173 173 MET MET B . n A 1 156 VAL 156 174 174 VAL VAL B . n A 1 157 GLU 157 175 175 GLU GLU B . n A 1 158 GLU 158 176 176 GLU GLU B . n A 1 159 ILE 159 177 177 ILE ILE B . n A 1 160 ASP 160 178 178 ASP ASP B . n A 1 161 HIS 161 179 179 HIS HIS B . n A 1 162 ILE 162 180 180 ILE ILE B . n A 1 163 GLY 163 181 181 GLY GLY B . n A 1 164 ILE 164 182 182 ILE ILE B . n A 1 165 ILE 165 183 183 ILE ILE B . n A 1 166 SER 166 184 184 SER SER B . n A 1 167 PHE 167 185 185 PHE PHE B . n A 1 168 PRO 168 186 186 PRO PRO B . n A 1 169 ASP 169 187 187 ASP ASP B . n A 1 170 PHE 170 188 188 PHE PHE B . n A 1 171 LYS 171 189 189 LYS LYS B . n A 1 172 ILE 172 190 190 ILE ILE B . n A 1 173 PRO 173 191 191 PRO PRO B . n A 1 174 SER 174 192 192 SER SER B . n A 1 175 ASN 175 193 193 ASN ASN B . n A 1 176 PRO 176 194 194 PRO PRO B . n A 1 177 ARG 177 195 195 ARG ARG B . n A 1 178 TYR 178 196 196 TYR TYR B . n A 1 179 GLY 179 197 197 GLY GLY B . n A 1 180 MET 180 198 198 MET MET B . n A 1 181 TRP 181 199 199 TRP TRP B . n A 1 182 THR 182 200 200 THR THR B . n A 1 183 ILE 183 201 201 ILE ILE B . n A 1 184 LYS 184 202 202 LYS LYS B . n A 1 185 ALA 185 203 203 ALA ALA B . n A 1 186 LYS 186 204 204 LYS LYS B . n A 1 187 TYR 187 205 205 TYR TYR B . n A 1 188 LYS 188 206 206 LYS LYS B . n A 1 189 GLU 189 207 207 GLU GLU B . n A 1 190 ASP 190 208 208 ASP ASP B . n A 1 191 PHE 191 209 209 PHE PHE B . n A 1 192 SER 192 210 210 SER SER B . n A 1 193 THR 193 211 211 THR THR B . n A 1 194 THR 194 212 212 THR THR B . n A 1 195 GLY 195 213 213 GLY GLY B . n A 1 196 THR 196 214 214 THR THR B . n A 1 197 ALA 197 215 215 ALA ALA B . n A 1 198 TYR 198 216 216 TYR TYR B . n A 1 199 PHE 199 217 217 PHE PHE B . n A 1 200 GLU 200 218 218 GLU GLU B . n A 1 201 VAL 201 219 219 VAL VAL B . n A 1 202 LYS 202 220 220 LYS LYS B . n A 1 203 GLU 203 221 221 GLU GLU B . n A 1 204 TYR 204 222 222 TYR TYR B . n A 1 205 VAL 205 223 223 VAL VAL B . n A 1 206 LEU 206 224 224 LEU LEU B . n A 1 207 PRO 207 225 225 PRO PRO B . n A 1 208 HIS 208 226 226 HIS HIS B . n A 1 209 PHE 209 227 227 PHE PHE B . n A 1 210 SER 210 228 228 SER SER B . n A 1 211 VAL 211 229 229 VAL VAL B . n A 1 212 SER 212 230 230 SER SER B . n A 1 213 ILE 213 231 231 ILE ILE B . n A 1 214 GLU 214 232 232 GLU GLU B . n A 1 215 PRO 215 233 233 PRO PRO B . n A 1 216 GLU 216 234 234 GLU GLU B . n A 1 217 TYR 217 235 235 TYR TYR B . n A 1 218 ASN 218 236 236 ASN ASN B . n A 1 219 PHE 219 237 237 PHE PHE B . n A 1 220 ILE 220 238 238 ILE ILE B . n A 1 221 GLY 221 239 239 GLY GLY B . n A 1 222 TYR 222 240 240 TYR TYR B . n A 1 223 LYS 223 241 241 LYS LYS B . n A 1 224 ASN 224 242 242 ASN ASN B . n A 1 225 PHE 225 243 243 PHE PHE B . n A 1 226 LYS 226 244 244 LYS LYS B . n A 1 227 ASN 227 245 245 ASN ASN B . n A 1 228 PHE 228 246 246 PHE PHE B . n A 1 229 GLU 229 247 247 GLU GLU B . n A 1 230 ILE 230 248 248 ILE ILE B . n A 1 231 THR 231 249 249 THR THR B . n A 1 232 ILE 232 250 250 ILE ILE B . n A 1 233 LYS 233 251 251 LYS LYS B . n A 1 234 ALA 234 252 252 ALA ALA B . n A 1 235 ARG 235 253 253 ARG ARG B . n A 1 236 TYR 236 254 254 TYR TYR B . n A 1 237 PHE 237 255 255 PHE PHE B . n A 1 238 TYR 238 256 256 TYR TYR B . n A 1 239 ASN 239 257 257 ASN ASN B . n A 1 240 LYS 240 258 258 LYS LYS B . n A 1 241 VAL 241 259 259 VAL VAL B . n A 1 242 VAL 242 260 260 VAL VAL B . n A 1 243 THR 243 261 261 THR THR B . n A 1 244 GLU 244 262 262 GLU GLU B . n A 1 245 ALA 245 263 263 ALA ALA B . n A 1 246 ASP 246 264 264 ASP ASP B . n A 1 247 VAL 247 265 265 VAL VAL B . n A 1 248 TYR 248 266 266 TYR TYR B . n A 1 249 ILE 249 267 267 ILE ILE B . n A 1 250 THR 250 268 268 THR THR B . n A 1 251 PHE 251 269 269 PHE PHE B . n A 1 252 GLY 252 270 270 GLY GLY B . n A 1 253 ILE 253 271 271 ILE ILE B . n A 1 254 ARG 254 272 272 ARG ARG B . n A 1 255 GLU 255 273 273 GLU GLU B . n A 1 256 ASP 256 274 274 ASP ASP B . n A 1 257 LEU 257 275 275 LEU LEU B . n A 1 258 LYS 258 276 276 LYS LYS B . n A 1 259 ASP 259 277 277 ASP ASP B . n A 1 260 ASP 260 278 278 ASP ASP B . n A 1 261 GLN 261 279 279 GLN GLN B . n A 1 262 LYS 262 280 280 LYS LYS B . n A 1 263 GLU 263 281 281 GLU GLU B . n A 1 264 MET 264 282 282 MET MET B . n A 1 265 MET 265 283 283 MET MET B . n A 1 266 GLN 266 284 284 GLN GLN B . n A 1 267 THR 267 285 285 THR THR B . n A 1 268 ALA 268 286 286 ALA ALA B . n A 1 269 MET 269 287 287 MET MET B . n A 1 270 GLN 270 288 288 GLN GLN B . n A 1 271 ASN 271 289 289 ASN ASN B . n A 1 272 THR 272 290 290 THR THR B . n A 1 273 MET 273 291 291 MET MET B . n A 1 274 LEU 274 292 292 LEU LEU B . n A 1 275 ILE 275 293 293 ILE ILE B . n A 1 276 ASN 276 294 294 ASN ASN B . n A 1 277 GLY 277 295 295 GLY GLY B . n A 1 278 ILE 278 296 296 ILE ILE B . n A 1 279 ALA 279 297 297 ALA ALA B . n A 1 280 GLN 280 298 298 GLN GLN B . n A 1 281 VAL 281 299 299 VAL VAL B . n A 1 282 THR 282 300 300 THR THR B . n A 1 283 PHE 283 301 301 PHE PHE B . n A 1 284 ASP 284 302 302 ASP ASP B . n A 1 285 SER 285 303 303 SER SER B . n A 1 286 GLU 286 304 304 GLU GLU B . n A 1 287 THR 287 305 305 THR THR B . n A 1 288 ALA 288 306 306 ALA ALA B . n A 1 289 VAL 289 307 307 VAL VAL B . n A 1 290 LYS 290 308 308 LYS LYS B . n A 1 291 GLU 291 309 309 GLU GLU B . n A 1 292 LEU 292 310 310 LEU LEU B . n A 1 293 SER 293 311 311 SER SER B . n A 1 294 TYR 294 312 312 TYR TYR B . n A 1 295 TYR 295 313 313 TYR TYR B . n A 1 296 SER 296 314 314 SER SER B . n A 1 297 LEU 297 315 315 LEU LEU B . n A 1 298 GLU 298 316 316 GLU GLU B . n A 1 299 ASP 299 317 317 ASP ASP B . n A 1 300 LEU 300 318 318 LEU LEU B . n A 1 301 ASN 301 319 319 ASN ASN B . n A 1 302 ASN 302 320 320 ASN ASN B . n A 1 303 LYS 303 321 321 LYS LYS B . n A 1 304 TYR 304 322 322 TYR TYR B . n A 1 305 LEU 305 323 323 LEU LEU B . n A 1 306 TYR 306 324 324 TYR TYR B . n A 1 307 ILE 307 325 325 ILE ILE B . n A 1 308 ALA 308 326 326 ALA ALA B . n A 1 309 VAL 309 327 327 VAL VAL B . n A 1 310 THR 310 328 328 THR THR B . n A 1 311 VAL 311 329 329 VAL VAL B . n A 1 312 ILE 312 330 330 ILE ILE B . n A 1 313 GLU 313 331 331 GLU GLU B . n A 1 314 SER 314 332 332 SER SER B . n A 1 315 THR 315 333 333 THR THR B . n A 1 316 GLY 316 334 334 GLY GLY B . n A 1 317 GLY 317 335 335 GLY GLY B . n A 1 318 PHE 318 336 336 PHE PHE B . n A 1 319 SER 319 337 337 SER SER B . n A 1 320 GLU 320 338 338 GLU GLU B . n A 1 321 GLU 321 339 339 GLU GLU B . n A 1 322 ALA 322 340 340 ALA ALA B . n A 1 323 GLU 323 341 341 GLU GLU B . n A 1 324 ILE 324 342 342 ILE ILE B . n A 1 325 PRO 325 343 343 PRO PRO B . n A 1 326 GLY 326 344 344 GLY GLY B . n A 1 327 ILE 327 345 345 ILE ILE B . n A 1 328 LYS 328 346 346 LYS LYS B . n A 1 329 TYR 329 347 347 TYR TYR B . n A 1 330 VAL 330 348 348 VAL VAL B . n A 1 331 LEU 331 349 349 LEU LEU B . n A 1 332 SER 332 350 350 SER SER B . n A 1 333 PRO 333 351 351 PRO PRO B . n A 1 334 TYR 334 352 352 TYR TYR B . n A 1 335 LYS 335 353 353 LYS LYS B . n A 1 336 LEU 336 354 354 LEU LEU B . n A 1 337 ASN 337 355 355 ASN ASN B . n A 1 338 LEU 338 356 356 LEU LEU B . n A 1 339 VAL 339 357 357 VAL VAL B . n A 1 340 ALA 340 358 358 ALA ALA B . n A 1 341 THR 341 359 359 THR THR B . n A 1 342 PRO 342 360 360 PRO PRO B . n A 1 343 LEU 343 361 361 LEU LEU B . n A 1 344 PHE 344 362 362 PHE PHE B . n A 1 345 LEU 345 363 363 LEU LEU B . n A 1 346 LYS 346 364 364 LYS LYS B . n A 1 347 PRO 347 365 365 PRO PRO B . n A 1 348 GLY 348 366 366 GLY GLY B . n A 1 349 ILE 349 367 367 ILE ILE B . n A 1 350 PRO 350 368 368 PRO PRO B . n A 1 351 TYR 351 369 369 TYR TYR B . n A 1 352 PRO 352 370 370 PRO PRO B . n A 1 353 ILE 353 371 371 ILE ILE B . n A 1 354 LYS 354 372 372 LYS LYS B . n A 1 355 VAL 355 373 373 VAL VAL B . n A 1 356 GLN 356 374 374 GLN GLN B . n A 1 357 VAL 357 375 375 VAL VAL B . n A 1 358 LYS 358 376 376 LYS LYS B . n A 1 359 ASP 359 377 377 ASP ASP B . n A 1 360 SER 360 378 378 SER SER B . n A 1 361 LEU 361 379 379 LEU LEU B . n A 1 362 ASP 362 380 380 ASP ASP B . n A 1 363 GLN 363 381 381 GLN GLN B . n A 1 364 LEU 364 382 382 LEU LEU B . n A 1 365 VAL 365 383 383 VAL VAL B . n A 1 366 GLY 366 384 384 GLY GLY B . n A 1 367 GLY 367 385 385 GLY GLY B . n A 1 368 VAL 368 386 386 VAL VAL B . n A 1 369 PRO 369 387 387 PRO PRO B . n A 1 370 VAL 370 388 388 VAL VAL B . n A 1 371 THR 371 389 389 THR THR B . n A 1 372 LEU 372 390 390 LEU LEU B . n A 1 373 ASN 373 391 391 ASN ASN B . n A 1 374 ALA 374 392 392 ALA ALA B . n A 1 375 GLN 375 393 393 GLN GLN B . n A 1 376 THR 376 394 394 THR THR B . n A 1 377 ILE 377 395 395 ILE ILE B . n A 1 378 ASP 378 396 396 ASP ASP B . n A 1 379 VAL 379 397 397 VAL VAL B . n A 1 380 ASN 380 398 398 ASN ASN B . n A 1 381 GLN 381 399 399 GLN GLN B . n A 1 382 GLU 382 400 400 GLU GLU B . n A 1 383 THR 383 401 401 THR THR B . n A 1 384 SER 384 402 402 SER SER B . n A 1 385 ASP 385 403 403 ASP ASP B . n A 1 386 LEU 386 404 404 LEU LEU B . n A 1 387 ASP 387 405 405 ASP ASP B . n A 1 388 PRO 388 406 406 PRO PRO B . n A 1 389 SER 389 407 407 SER SER B . n A 1 390 LYS 390 408 408 LYS LYS B . n A 1 391 SER 391 409 409 SER SER B . n A 1 392 VAL 392 410 410 VAL VAL B . n A 1 393 THR 393 411 411 THR THR B . n A 1 394 ARG 394 412 412 ARG ARG B . n A 1 395 VAL 395 413 413 VAL VAL B . n A 1 396 ASP 396 414 414 ASP ASP B . n A 1 397 ASP 397 415 415 ASP ASP B . n A 1 398 GLY 398 416 416 GLY GLY B . n A 1 399 VAL 399 417 417 VAL VAL B . n A 1 400 ALA 400 418 418 ALA ALA B . n A 1 401 SER 401 419 419 SER SER B . n A 1 402 PHE 402 420 420 PHE PHE B . n A 1 403 VAL 403 421 421 VAL VAL B . n A 1 404 LEU 404 422 422 LEU LEU B . n A 1 405 ASN 405 423 423 ASN ASN B . n A 1 406 LEU 406 424 424 LEU LEU B . n A 1 407 PRO 407 425 425 PRO PRO B . n A 1 408 SER 408 426 426 SER SER B . n A 1 409 GLY 409 427 427 GLY GLY B . n A 1 410 VAL 410 428 428 VAL VAL B . n A 1 411 THR 411 429 429 THR THR B . n A 1 412 VAL 412 430 430 VAL VAL B . n A 1 413 LEU 413 431 431 LEU LEU B . n A 1 414 GLU 414 432 432 GLU GLU B . n A 1 415 PHE 415 433 433 PHE PHE B . n A 1 416 ASN 416 434 434 ASN ASN B . n A 1 417 VAL 417 435 435 VAL VAL B . n A 1 418 LYS 418 436 436 LYS LYS B . n A 1 419 THR 419 437 437 THR THR B . n A 1 420 ASP 420 438 438 ASP ASP B . n A 1 421 ALA 421 439 439 ALA ALA B . n A 1 422 PRO 422 440 440 PRO PRO B . n A 1 423 ASP 423 441 441 ASP ASP B . n A 1 424 LEU 424 442 442 LEU LEU B . n A 1 425 PRO 425 443 443 PRO PRO B . n A 1 426 GLU 426 444 444 GLU GLU B . n A 1 427 GLU 427 445 445 GLU GLU B . n A 1 428 ASN 428 446 446 ASN ASN B . n A 1 429 GLN 429 447 447 GLN GLN B . n A 1 430 ALA 430 448 448 ALA ALA B . n A 1 431 ARG 431 449 449 ARG ARG B . n A 1 432 GLU 432 450 450 GLU GLU B . n A 1 433 GLY 433 451 451 GLY GLY B . n A 1 434 TYR 434 452 452 TYR TYR B . n A 1 435 ARG 435 453 453 ARG ARG B . n A 1 436 ALA 436 454 454 ALA ALA B . n A 1 437 ILE 437 455 455 ILE ILE B . n A 1 438 ALA 438 456 456 ALA ALA B . n A 1 439 TYR 439 457 457 TYR TYR B . n A 1 440 SER 440 458 458 SER SER B . n A 1 441 SER 441 459 459 SER SER B . n A 1 442 LEU 442 460 460 LEU LEU B . n A 1 443 SER 443 461 461 SER SER B . n A 1 444 GLN 444 462 462 GLN GLN B . n A 1 445 SER 445 463 463 SER SER B . n A 1 446 TYR 446 464 464 TYR TYR B . n A 1 447 LEU 447 465 465 LEU LEU B . n A 1 448 TYR 448 466 466 TYR TYR B . n A 1 449 ILE 449 467 467 ILE ILE B . n A 1 450 ASP 450 468 468 ASP ASP B . n A 1 451 TRP 451 469 469 TRP TRP B . n A 1 452 THR 452 470 470 THR THR B . n A 1 453 ASP 453 471 471 ASP ASP B . n A 1 454 ASN 454 472 472 ASN ASN B . n A 1 455 HIS 455 473 473 HIS HIS B . n A 1 456 LYS 456 474 474 LYS LYS B . n A 1 457 ALA 457 475 475 ALA ALA B . n A 1 458 LEU 458 476 476 LEU LEU B . n A 1 459 LEU 459 477 477 LEU LEU B . n A 1 460 VAL 460 478 478 VAL VAL B . n A 1 461 GLY 461 479 479 GLY GLY B . n A 1 462 GLU 462 480 480 GLU GLU B . n A 1 463 HIS 463 481 481 HIS HIS B . n A 1 464 LEU 464 482 482 LEU LEU B . n A 1 465 ASN 465 483 483 ASN ASN B . n A 1 466 ILE 466 484 484 ILE ILE B . n A 1 467 ILE 467 485 485 ILE ILE B . n A 1 468 VAL 468 486 486 VAL VAL B . n A 1 469 THR 469 487 487 THR THR B . n A 1 470 PRO 470 488 488 PRO PRO B . n A 1 471 LYS 471 489 489 LYS LYS B . n A 1 472 SER 472 490 490 SER SER B . n A 1 473 PRO 473 491 491 PRO PRO B . n A 1 474 TYR 474 492 492 TYR TYR B . n A 1 475 ILE 475 493 493 ILE ILE B . n A 1 476 ASP 476 494 494 ASP ASP B . n A 1 477 LYS 477 495 495 LYS LYS B . n A 1 478 ILE 478 496 496 ILE ILE B . n A 1 479 THR 479 497 497 THR THR B . n A 1 480 HIS 480 498 498 HIS HIS B . n A 1 481 TYR 481 499 499 TYR TYR B . n A 1 482 ASN 482 500 500 ASN ASN B . n A 1 483 TYR 483 501 501 TYR TYR B . n A 1 484 LEU 484 502 502 LEU LEU B . n A 1 485 ILE 485 503 503 ILE ILE B . n A 1 486 LEU 486 504 504 LEU LEU B . n A 1 487 SER 487 505 505 SER SER B . n A 1 488 LYS 488 506 506 LYS LYS B . n A 1 489 GLY 489 507 507 GLY GLY B . n A 1 490 LYS 490 508 508 LYS LYS B . n A 1 491 ILE 491 509 509 ILE ILE B . n A 1 492 ILE 492 510 510 ILE ILE B . n A 1 493 HIS 493 511 511 HIS HIS B . n A 1 494 PHE 494 512 512 PHE PHE B . n A 1 495 GLY 495 513 513 GLY GLY B . n A 1 496 THR 496 514 514 THR THR B . n A 1 497 ARG 497 515 515 ARG ARG B . n A 1 498 GLU 498 516 516 GLU GLU B . n A 1 499 LYS 499 517 517 LYS LYS B . n A 1 500 PHE 500 518 518 PHE PHE B . n A 1 501 SER 501 519 519 SER SER B . n A 1 502 ASP 502 520 520 ASP ASP B . n A 1 503 ALA 503 521 521 ALA ALA B . n A 1 504 SER 504 522 522 SER SER B . n A 1 505 TYR 505 523 523 TYR TYR B . n A 1 506 GLN 506 524 524 GLN GLN B . n A 1 507 SER 507 525 525 SER SER B . n A 1 508 ILE 508 526 526 ILE ILE B . n A 1 509 ASN 509 527 527 ASN ASN B . n A 1 510 ILE 510 528 528 ILE ILE B . n A 1 511 PRO 511 529 529 PRO PRO B . n A 1 512 VAL 512 530 530 VAL VAL B . n A 1 513 THR 513 531 531 THR THR B . n A 1 514 GLN 514 532 532 GLN GLN B . n A 1 515 ASN 515 533 533 ASN ASN B . n A 1 516 MET 516 534 534 MET MET B . n A 1 517 VAL 517 535 535 VAL VAL B . n A 1 518 PRO 518 536 536 PRO PRO B . n A 1 519 SER 519 537 537 SER SER B . n A 1 520 SER 520 538 538 SER SER B . n A 1 521 ARG 521 539 539 ARG ARG B . n A 1 522 LEU 522 540 540 LEU LEU B . n A 1 523 LEU 523 541 541 LEU LEU B . n A 1 524 VAL 524 542 542 VAL VAL B . n A 1 525 TYR 525 543 543 TYR TYR B . n A 1 526 TYR 526 544 544 TYR TYR B . n A 1 527 ILE 527 545 545 ILE ILE B . n A 1 528 VAL 528 546 546 VAL VAL B . n A 1 529 THR 529 547 547 THR THR B . n A 1 530 GLY 530 548 548 GLY GLY B . n A 1 531 GLU 531 549 549 GLU GLU B . n A 1 532 GLN 532 550 550 GLN GLN B . n A 1 533 THR 533 551 551 THR THR B . n A 1 534 ALA 534 552 552 ALA ALA B . n A 1 535 GLU 535 553 553 GLU GLU B . n A 1 536 LEU 536 554 554 LEU LEU B . n A 1 537 VAL 537 555 555 VAL VAL B . n A 1 538 SER 538 556 556 SER SER B . n A 1 539 ASP 539 557 557 ASP ASP B . n A 1 540 SER 540 558 558 SER SER B . n A 1 541 VAL 541 559 559 VAL VAL B . n A 1 542 TRP 542 560 560 TRP TRP B . n A 1 543 LEU 543 561 561 LEU LEU B . n A 1 544 ASN 544 562 562 ASN ASN B . n A 1 545 ILE 545 563 563 ILE ILE B . n A 1 546 GLU 546 564 564 GLU GLU B . n A 1 547 GLU 547 565 565 GLU GLU B . n A 1 548 LYS 548 566 566 LYS LYS B . n A 1 549 CYS 549 567 567 CYS CYS B . n A 1 550 GLY 550 568 568 GLY GLY B . n A 1 551 ASN 551 569 569 ASN ASN B . n A 1 552 GLN 552 570 570 GLN GLN B . n A 1 553 LEU 553 571 571 LEU LEU B . n A 1 554 GLN 554 572 572 GLN GLN B . n A 1 555 VAL 555 573 573 VAL VAL B . n A 1 556 HIS 556 574 574 HIS HIS B . n A 1 557 LEU 557 575 575 LEU LEU B . n A 1 558 SER 558 576 576 SER SER B . n A 1 559 PRO 559 577 577 PRO PRO B . n A 1 560 ASP 560 578 578 ASP ASP B . n A 1 561 ALA 561 579 579 ALA ALA B . n A 1 562 ASP 562 580 580 ASP ASP B . n A 1 563 ALA 563 581 581 ALA ALA B . n A 1 564 TYR 564 582 582 TYR TYR B . n A 1 565 SER 565 583 583 SER SER B . n A 1 566 PRO 566 584 584 PRO PRO B . n A 1 567 GLY 567 585 585 GLY GLY B . n A 1 568 GLN 568 586 586 GLN GLN B . n A 1 569 THR 569 587 587 THR THR B . n A 1 570 VAL 570 588 588 VAL VAL B . n A 1 571 SER 571 589 589 SER SER B . n A 1 572 LEU 572 590 590 LEU LEU B . n A 1 573 ASN 573 591 591 ASN ASN B . n A 1 574 MET 574 592 592 MET MET B . n A 1 575 ALA 575 593 593 ALA ALA B . n A 1 576 THR 576 594 594 THR THR B . n A 1 577 GLY 577 595 595 GLY GLY B . n A 1 578 MET 578 596 596 MET MET B . n A 1 579 ASP 579 597 597 ASP ASP B . n A 1 580 SER 580 598 598 SER SER B . n A 1 581 TRP 581 599 599 TRP TRP B . n A 1 582 VAL 582 600 600 VAL VAL B . n A 1 583 ALA 583 601 601 ALA ALA B . n A 1 584 LEU 584 602 602 LEU LEU B . n A 1 585 ALA 585 603 603 ALA ALA B . n A 1 586 ALA 586 604 604 ALA ALA B . n A 1 587 VAL 587 605 605 VAL VAL B . n A 1 588 ASP 588 606 606 ASP ASP B . n A 1 589 SER 589 607 607 SER SER B . n A 1 590 ALA 590 608 608 ALA ALA B . n A 1 591 VAL 591 609 609 VAL VAL B . n A 1 592 TYR 592 610 610 TYR TYR B . n A 1 593 GLY 593 611 611 GLY GLY B . n A 1 594 VAL 594 612 ? ? ? B . n A 1 595 GLN 595 613 ? ? ? B . n A 1 596 ARG 596 614 ? ? ? B . n A 1 597 GLY 597 615 ? ? ? B . n A 1 598 ALA 598 616 ? ? ? B . n A 1 599 LYS 599 617 ? ? ? B . n A 1 600 LYS 600 618 ? ? ? B . n A 1 601 PRO 601 619 ? ? ? B . n A 1 602 LEU 602 620 620 LEU LEU B . n A 1 603 GLU 603 621 621 GLU GLU B . n A 1 604 ARG 604 622 622 ARG ARG B . n A 1 605 VAL 605 623 623 VAL VAL B . n A 1 606 PHE 606 624 624 PHE PHE B . n A 1 607 GLN 607 625 625 GLN GLN B . n A 1 608 PHE 608 626 626 PHE PHE B . n A 1 609 LEU 609 627 627 LEU LEU B . n A 1 610 GLU 610 628 628 GLU GLU B . n A 1 611 LYS 611 629 629 LYS LYS B . n A 1 612 SER 612 630 630 SER SER B . n A 1 613 ASP 613 631 631 ASP ASP B . n A 1 614 LEU 614 632 632 LEU LEU B . n A 1 615 GLY 615 633 633 GLY GLY B . n A 1 616 CYS 616 634 634 CYS CYS B . n A 1 617 GLY 617 635 635 GLY GLY B . n A 1 618 ALA 618 636 636 ALA ALA B . n A 1 619 GLY 619 637 637 GLY GLY B . n A 1 620 GLY 620 638 638 GLY GLY B . n A 1 621 GLY 621 639 639 GLY GLY B . n A 1 622 LEU 622 640 640 LEU LEU B . n A 1 623 ASN 623 641 641 ASN ASN B . n A 1 624 ASN 624 642 642 ASN ASN B . n A 1 625 ALA 625 643 643 ALA ALA B . n A 1 626 ASN 626 644 644 ASN ASN B . n A 1 627 VAL 627 645 645 VAL VAL B . n A 1 628 PHE 628 646 646 PHE PHE B . n A 1 629 HIS 629 647 647 HIS HIS B . n A 1 630 LEU 630 648 648 LEU LEU B . n A 1 631 ALA 631 649 649 ALA ALA B . n A 1 632 GLY 632 650 650 GLY GLY B . n A 1 633 LEU 633 651 651 LEU LEU B . n A 1 634 THR 634 652 652 THR THR B . n A 1 635 PHE 635 653 653 PHE PHE B . n A 1 636 LEU 636 654 654 LEU LEU B . n A 1 637 THR 637 655 655 THR THR B . n A 1 638 ASN 638 656 656 ASN ASN B . n A 1 639 ALA 639 657 657 ALA ALA B . n A 1 640 ASN 640 658 658 ASN ASN B . n A 1 641 ALA 641 659 659 ALA ALA B . n A 1 642 ASP 642 660 660 ASP ASP B . n A 1 643 ASP 643 661 661 ASP ASP B . n A 1 644 SER 644 662 662 SER SER B . n A 1 645 GLN 645 663 663 GLN GLN B . n A 1 646 GLU 646 664 664 GLU GLU B . n A 1 647 ASN 647 665 665 ASN ASN B . n A 1 648 ASP 648 666 666 ASP ASP B . n A 1 649 GLU 649 667 667 GLU GLU B . n A 1 650 PRO 650 668 668 PRO PRO B . n A 1 651 CYS 651 669 669 CYS CYS B . n A 1 652 LYS 652 670 670 LYS LYS B . n A 1 653 GLU 653 671 671 GLU GLU B . n A 1 654 ILE 654 672 672 ILE ILE B . n A 1 655 LEU 655 673 673 LEU LEU B . n A 1 656 ARG 656 674 674 ARG ARG B . n B 2 1 LEU 1 679 679 LEU LEU A . n B 2 2 GLN 2 680 680 GLN GLN A . n B 2 3 LYS 3 681 681 LYS LYS A . n B 2 4 LYS 4 682 682 LYS LYS A . n B 2 5 ILE 5 683 683 ILE ILE A . n B 2 6 GLU 6 684 684 GLU GLU A . n B 2 7 GLU 7 685 685 GLU GLU A . n B 2 8 ILE 8 686 686 ILE ILE A . n B 2 9 ALA 9 687 687 ALA ALA A . n B 2 10 ALA 10 688 688 ALA ALA A . n B 2 11 LYS 11 689 689 LYS LYS A . n B 2 12 TYR 12 690 690 TYR TYR A . n B 2 13 LYS 13 691 691 LYS LYS A . n B 2 14 HIS 14 692 692 HIS HIS A . n B 2 15 SER 15 693 693 SER SER A . n B 2 16 VAL 16 694 694 VAL VAL A . n B 2 17 VAL 17 695 695 VAL VAL A . n B 2 18 LYS 18 696 696 LYS LYS A . n B 2 19 LYS 19 697 697 LYS LYS A . n B 2 20 CYS 20 698 698 CYS CYS A . n B 2 21 CYS 21 699 699 CYS CYS A . n B 2 22 TYR 22 700 700 TYR TYR A . n B 2 23 ASP 23 701 701 ASP ASP A . n B 2 24 GLY 24 702 702 GLY GLY A . n B 2 25 ALA 25 703 703 ALA ALA A . n B 2 26 CYS 26 704 704 CYS CYS A . n B 2 27 VAL 27 705 705 VAL VAL A . n B 2 28 ASN 28 706 706 ASN ASN A . n B 2 29 ASN 29 707 707 ASN ASN A . n B 2 30 ASP 30 708 708 ASP ASP A . n B 2 31 GLU 31 709 709 GLU GLU A . n B 2 32 THR 32 710 710 THR THR A . n B 2 33 CYS 33 711 711 CYS CYS A . n B 2 34 GLU 34 712 712 GLU GLU A . n B 2 35 GLN 35 713 713 GLN GLN A . n B 2 36 ARG 36 714 714 ARG ARG A . n B 2 37 ALA 37 715 715 ALA ALA A . n B 2 38 ALA 38 716 716 ALA ALA A . n B 2 39 ARG 39 717 717 ARG ARG A . n B 2 40 ILE 40 718 718 ILE ILE A . n B 2 41 SER 41 719 719 SER SER A . n B 2 42 LEU 42 720 720 LEU LEU A . n B 2 43 GLY 43 721 721 GLY GLY A . n B 2 44 PRO 44 722 722 PRO PRO A . n B 2 45 ARG 45 723 723 ARG ARG A . n B 2 46 CYS 46 724 724 CYS CYS A . n B 2 47 ILE 47 725 725 ILE ILE A . n B 2 48 LYS 48 726 726 LYS LYS A . n B 2 49 ALA 49 727 727 ALA ALA A . n B 2 50 PHE 50 728 728 PHE PHE A . n B 2 51 THR 51 729 729 THR THR A . n B 2 52 GLU 52 730 730 GLU GLU A . n B 2 53 CYS 53 731 731 CYS CYS A . n B 2 54 CYS 54 732 732 CYS CYS A . n B 2 55 VAL 55 733 733 VAL VAL A . n B 2 56 VAL 56 734 734 VAL VAL A . n B 2 57 ALA 57 735 735 ALA ALA A . n B 2 58 SER 58 736 736 SER SER A . n B 2 59 GLN 59 737 737 GLN GLN A . n B 2 60 LEU 60 738 738 LEU LEU A . n B 2 61 ARG 61 739 739 ARG ARG A . n B 2 62 ALA 62 740 740 ALA ALA A . n B 2 63 ASN 63 741 741 ASN ASN A . n B 2 64 ILE 64 742 742 ILE ILE A . n B 2 65 SER 65 743 743 SER SER A . n B 2 66 HIS 66 744 744 HIS HIS A . n B 2 67 LYS 67 745 745 LYS LYS A . n B 2 68 ASP 68 746 746 ASP ASP A . n B 2 69 MET 69 747 747 MET MET A . n B 2 70 GLN 70 748 748 GLN GLN A . n B 2 71 LEU 71 749 749 LEU LEU A . n B 2 72 GLY 72 750 750 GLY GLY A . n B 2 73 ARG 73 751 751 ARG ARG A . n B 2 74 LEU 74 752 752 LEU LEU A . n B 2 75 HIS 75 753 753 HIS HIS A . n B 2 76 MET 76 754 754 MET MET A . n B 2 77 LYS 77 755 755 LYS LYS A . n B 2 78 THR 78 756 756 THR THR A . n B 2 79 LEU 79 757 757 LEU LEU A . n B 2 80 LEU 80 758 758 LEU LEU A . n B 2 81 PRO 81 759 759 PRO PRO A . n B 2 82 VAL 82 760 760 VAL VAL A . n B 2 83 SER 83 761 761 SER SER A . n B 2 84 LYS 84 762 762 LYS LYS A . n B 2 85 PRO 85 763 763 PRO PRO A . n B 2 86 GLU 86 764 764 GLU GLU A . n B 2 87 ILE 87 765 765 ILE ILE A . n B 2 88 ARG 88 766 766 ARG ARG A . n B 2 89 SER 89 767 767 SER SER A . n B 2 90 TYR 90 768 768 TYR TYR A . n B 2 91 PHE 91 769 769 PHE PHE A . n B 2 92 PRO 92 770 770 PRO PRO A . n B 2 93 GLU 93 771 771 GLU GLU A . n B 2 94 SER 94 772 772 SER SER A . n B 2 95 TRP 95 773 773 TRP TRP A . n B 2 96 LEU 96 774 774 LEU LEU A . n B 2 97 TRP 97 775 775 TRP TRP A . n B 2 98 GLU 98 776 776 GLU GLU A . n B 2 99 VAL 99 777 777 VAL VAL A . n B 2 100 HIS 100 778 778 HIS HIS A . n B 2 101 LEU 101 779 779 LEU LEU A . n B 2 102 VAL 102 780 780 VAL VAL A . n B 2 103 PRO 103 781 781 PRO PRO A . n B 2 104 ARG 104 782 782 ARG ARG A . n B 2 105 ARG 105 783 783 ARG ARG A . n B 2 106 LYS 106 784 784 LYS LYS A . n B 2 107 GLN 107 785 785 GLN GLN A . n B 2 108 LEU 108 786 786 LEU LEU A . n B 2 109 GLN 109 787 787 GLN GLN A . n B 2 110 PHE 110 788 788 PHE PHE A . n B 2 111 ALA 111 789 789 ALA ALA A . n B 2 112 LEU 112 790 790 LEU LEU A . n B 2 113 PRO 113 791 791 PRO PRO A . n B 2 114 ASP 114 792 792 ASP ASP A . n B 2 115 SER 115 793 793 SER SER A . n B 2 116 LEU 116 794 794 LEU LEU A . n B 2 117 THR 117 795 795 THR THR A . n B 2 118 THR 118 796 796 THR THR A . n B 2 119 TRP 119 797 797 TRP TRP A . n B 2 120 GLU 120 798 798 GLU GLU A . n B 2 121 ILE 121 799 799 ILE ILE A . n B 2 122 GLN 122 800 800 GLN GLN A . n B 2 123 GLY 123 801 801 GLY GLY A . n B 2 124 VAL 124 802 802 VAL VAL A . n B 2 125 GLY 125 803 803 GLY GLY A . n B 2 126 ILE 126 804 804 ILE ILE A . n B 2 127 SER 127 805 805 SER SER A . n B 2 128 ASN 128 806 806 ASN ASN A . n B 2 129 THR 129 807 807 THR THR A . n B 2 130 GLY 130 808 808 GLY GLY A . n B 2 131 ILE 131 809 809 ILE ILE A . n B 2 132 CYS 132 810 810 CYS CYS A . n B 2 133 VAL 133 811 811 VAL VAL A . n B 2 134 ALA 134 812 812 ALA ALA A . n B 2 135 ASP 135 813 813 ASP ASP A . n B 2 136 THR 136 814 814 THR THR A . n B 2 137 VAL 137 815 815 VAL VAL A . n B 2 138 LYS 138 816 816 LYS LYS A . n B 2 139 ALA 139 817 817 ALA ALA A . n B 2 140 LYS 140 818 818 LYS LYS A . n B 2 141 VAL 141 819 819 VAL VAL A . n B 2 142 PHE 142 820 820 PHE PHE A . n B 2 143 LYS 143 821 821 LYS LYS A . n B 2 144 ASP 144 822 822 ASP ASP A . n B 2 145 VAL 145 823 823 VAL VAL A . n B 2 146 PHE 146 824 824 PHE PHE A . n B 2 147 LEU 147 825 825 LEU LEU A . n B 2 148 GLU 148 826 826 GLU GLU A . n B 2 149 MET 149 827 827 MET MET A . n B 2 150 ASN 150 828 828 ASN ASN A . n B 2 151 ILE 151 829 829 ILE ILE A . n B 2 152 PRO 152 830 830 PRO PRO A . n B 2 153 TYR 153 831 831 TYR TYR A . n B 2 154 SER 154 832 832 SER SER A . n B 2 155 VAL 155 833 833 VAL VAL A . n B 2 156 VAL 156 834 834 VAL VAL A . n B 2 157 ARG 157 835 835 ARG ARG A . n B 2 158 GLY 158 836 836 GLY GLY A . n B 2 159 GLU 159 837 837 GLU GLU A . n B 2 160 GLN 160 838 838 GLN GLN A . n B 2 161 ILE 161 839 839 ILE ILE A . n B 2 162 GLN 162 840 840 GLN GLN A . n B 2 163 LEU 163 841 841 LEU LEU A . n B 2 164 LYS 164 842 842 LYS LYS A . n B 2 165 GLY 165 843 843 GLY GLY A . n B 2 166 THR 166 844 844 THR THR A . n B 2 167 VAL 167 845 845 VAL VAL A . n B 2 168 TYR 168 846 846 TYR TYR A . n B 2 169 ASN 169 847 847 ASN ASN A . n B 2 170 TYR 170 848 848 TYR TYR A . n B 2 171 ARG 171 849 849 ARG ARG A . n B 2 172 THR 172 850 850 THR THR A . n B 2 173 SER 173 851 851 SER SER A . n B 2 174 GLY 174 852 852 GLY GLY A . n B 2 175 MET 175 853 853 MET MET A . n B 2 176 GLN 176 854 854 GLN GLN A . n B 2 177 PHE 177 855 855 PHE PHE A . n B 2 178 CYS 178 856 856 CYS CYS A . n B 2 179 VAL 179 857 857 VAL VAL A . n B 2 180 LYS 180 858 858 LYS LYS A . n B 2 181 MET 181 859 859 MET MET A . n B 2 182 SER 182 860 860 SER SER A . n B 2 183 ALA 183 861 861 ALA ALA A . n B 2 184 VAL 184 862 862 VAL VAL A . n B 2 185 GLU 185 863 863 GLU GLU A . n B 2 186 GLY 186 864 864 GLY GLY A . n B 2 187 ILE 187 865 865 ILE ILE A . n B 2 188 CYS 188 866 866 CYS CYS A . n B 2 189 THR 189 867 867 THR THR A . n B 2 190 SER 190 868 868 SER SER A . n B 2 191 GLU 191 869 869 GLU GLU A . n B 2 192 SER 192 870 870 SER SER A . n B 2 193 PRO 193 871 871 PRO PRO A . n B 2 194 VAL 194 872 872 VAL VAL A . n B 2 195 ILE 195 873 873 ILE ILE A . n B 2 196 ASP 196 874 ? ? ? A . n B 2 197 HIS 197 875 ? ? ? A . n B 2 198 GLN 198 876 ? ? ? A . n B 2 199 GLY 199 877 ? ? ? A . n B 2 200 THR 200 878 ? ? ? A . n B 2 201 LYS 201 879 879 LYS LYS A . n B 2 202 SER 202 880 880 SER SER A . n B 2 203 SER 203 881 881 SER SER A . n B 2 204 LYS 204 882 882 LYS LYS A . n B 2 205 CYS 205 883 883 CYS CYS A . n B 2 206 VAL 206 884 884 VAL VAL A . n B 2 207 ARG 207 885 885 ARG ARG A . n B 2 208 GLN 208 886 886 GLN GLN A . n B 2 209 LYS 209 887 887 LYS LYS A . n B 2 210 VAL 210 888 888 VAL VAL A . n B 2 211 GLU 211 889 889 GLU GLU A . n B 2 212 GLY 212 890 890 GLY GLY A . n B 2 213 SER 213 891 891 SER SER A . n B 2 214 SER 214 892 892 SER SER A . n B 2 215 SER 215 893 893 SER SER A . n B 2 216 HIS 216 894 894 HIS HIS A . n B 2 217 LEU 217 895 895 LEU LEU A . n B 2 218 VAL 218 896 896 VAL VAL A . n B 2 219 THR 219 897 897 THR THR A . n B 2 220 PHE 220 898 898 PHE PHE A . n B 2 221 THR 221 899 899 THR THR A . n B 2 222 VAL 222 900 900 VAL VAL A . n B 2 223 LEU 223 901 901 LEU LEU A . n B 2 224 PRO 224 902 902 PRO PRO A . n B 2 225 LEU 225 903 903 LEU LEU A . n B 2 226 GLU 226 904 904 GLU GLU A . n B 2 227 ILE 227 905 905 ILE ILE A . n B 2 228 GLY 228 906 906 GLY GLY A . n B 2 229 LEU 229 907 907 LEU LEU A . n B 2 230 HIS 230 908 908 HIS HIS A . n B 2 231 ASN 231 909 909 ASN ASN A . n B 2 232 ILE 232 910 910 ILE ILE A . n B 2 233 ASN 233 911 911 ASN ASN A . n B 2 234 PHE 234 912 912 PHE PHE A . n B 2 235 SER 235 913 913 SER SER A . n B 2 236 LEU 236 914 914 LEU LEU A . n B 2 237 GLU 237 915 915 GLU GLU A . n B 2 238 THR 238 916 916 THR THR A . n B 2 239 TRP 239 917 917 TRP TRP A . n B 2 240 PHE 240 918 918 PHE PHE A . n B 2 241 GLY 241 919 919 GLY GLY A . n B 2 242 LYS 242 920 920 LYS LYS A . n B 2 243 GLU 243 921 921 GLU GLU A . n B 2 244 ILE 244 922 922 ILE ILE A . n B 2 245 LEU 245 923 923 LEU LEU A . n B 2 246 VAL 246 924 924 VAL VAL A . n B 2 247 LYS 247 925 925 LYS LYS A . n B 2 248 THR 248 926 926 THR THR A . n B 2 249 LEU 249 927 927 LEU LEU A . n B 2 250 ARG 250 928 928 ARG ARG A . n B 2 251 VAL 251 929 929 VAL VAL A . n B 2 252 VAL 252 930 930 VAL VAL A . n B 2 253 PRO 253 931 931 PRO PRO A . n B 2 254 GLU 254 932 932 GLU GLU A . n B 2 255 GLY 255 933 933 GLY GLY A . n B 2 256 VAL 256 934 934 VAL VAL A . n B 2 257 LYS 257 935 935 LYS LYS A . n B 2 258 ARG 258 936 936 ARG ARG A . n B 2 259 GLU 259 937 937 GLU GLU A . n B 2 260 SER 260 938 938 SER SER A . n B 2 261 TYR 261 939 939 TYR TYR A . n B 2 262 SER 262 940 940 SER SER A . n B 2 263 GLY 263 941 941 GLY GLY A . n B 2 264 VAL 264 942 942 VAL VAL A . n B 2 265 THR 265 943 943 THR THR A . n B 2 266 LEU 266 944 944 LEU LEU A . n B 2 267 ASP 267 945 945 ASP ASP A . n B 2 268 PRO 268 946 946 PRO PRO A . n B 2 269 ARG 269 947 947 ARG ARG A . n B 2 270 GLY 270 948 948 GLY GLY A . n B 2 271 ILE 271 949 949 ILE ILE A . n B 2 272 TYR 272 950 950 TYR TYR A . n B 2 273 GLY 273 951 951 GLY GLY A . n B 2 274 THR 274 952 952 THR THR A . n B 2 275 ILE 275 953 953 ILE ILE A . n B 2 276 SER 276 954 954 SER SER A . n B 2 277 ARG 277 955 955 ARG ARG A . n B 2 278 ARG 278 956 956 ARG ARG A . n B 2 279 LYS 279 957 957 LYS LYS A . n B 2 280 GLU 280 958 958 GLU GLU A . n B 2 281 PHE 281 959 959 PHE PHE A . n B 2 282 PRO 282 960 960 PRO PRO A . n B 2 283 TYR 283 961 961 TYR TYR A . n B 2 284 ARG 284 962 962 ARG ARG A . n B 2 285 ILE 285 963 963 ILE ILE A . n B 2 286 PRO 286 964 964 PRO PRO A . n B 2 287 LEU 287 965 965 LEU LEU A . n B 2 288 ASP 288 966 966 ASP ASP A . n B 2 289 LEU 289 967 967 LEU LEU A . n B 2 290 VAL 290 968 968 VAL VAL A . n B 2 291 PRO 291 969 969 PRO PRO A . n B 2 292 LYS 292 970 970 LYS LYS A . n B 2 293 THR 293 971 971 THR THR A . n B 2 294 GLU 294 972 972 GLU GLU A . n B 2 295 ILE 295 973 973 ILE ILE A . n B 2 296 LYS 296 974 974 LYS LYS A . n B 2 297 ARG 297 975 975 ARG ARG A . n B 2 298 ILE 298 976 976 ILE ILE A . n B 2 299 LEU 299 977 977 LEU LEU A . n B 2 300 SER 300 978 978 SER SER A . n B 2 301 VAL 301 979 979 VAL VAL A . n B 2 302 LYS 302 980 980 LYS LYS A . n B 2 303 GLY 303 981 981 GLY GLY A . n B 2 304 LEU 304 982 982 LEU LEU A . n B 2 305 LEU 305 983 983 LEU LEU A . n B 2 306 VAL 306 984 984 VAL VAL A . n B 2 307 GLY 307 985 985 GLY GLY A . n B 2 308 GLU 308 986 986 GLU GLU A . n B 2 309 ILE 309 987 987 ILE ILE A . n B 2 310 LEU 310 988 988 LEU LEU A . n B 2 311 SER 311 989 989 SER SER A . n B 2 312 ALA 312 990 990 ALA ALA A . n B 2 313 VAL 313 991 991 VAL VAL A . n B 2 314 LEU 314 992 992 LEU LEU A . n B 2 315 SER 315 993 993 SER SER A . n B 2 316 GLN 316 994 994 GLN GLN A . n B 2 317 GLU 317 995 995 GLU GLU A . n B 2 318 GLY 318 996 996 GLY GLY A . n B 2 319 ILE 319 997 997 ILE ILE A . n B 2 320 ASN 320 998 998 ASN ASN A . n B 2 321 ILE 321 999 999 ILE ILE A . n B 2 322 LEU 322 1000 1000 LEU LEU A . n B 2 323 THR 323 1001 1001 THR THR A . n B 2 324 HIS 324 1002 1002 HIS HIS A . n B 2 325 LEU 325 1003 1003 LEU LEU A . n B 2 326 PRO 326 1004 1004 PRO PRO A . n B 2 327 LYS 327 1005 1005 LYS LYS A . n B 2 328 GLY 328 1006 1006 GLY GLY A . n B 2 329 SER 329 1007 1007 SER SER A . n B 2 330 ALA 330 1008 1008 ALA ALA A . n B 2 331 GLU 331 1009 1009 GLU GLU A . n B 2 332 ALA 332 1010 1010 ALA ALA A . n B 2 333 GLU 333 1011 1011 GLU GLU A . n B 2 334 LEU 334 1012 1012 LEU LEU A . n B 2 335 MET 335 1013 1013 MET MET A . n B 2 336 SER 336 1014 1014 SER SER A . n B 2 337 VAL 337 1015 1015 VAL VAL A . n B 2 338 VAL 338 1016 1016 VAL VAL A . n B 2 339 PRO 339 1017 1017 PRO PRO A . n B 2 340 VAL 340 1018 1018 VAL VAL A . n B 2 341 PHE 341 1019 1019 PHE PHE A . n B 2 342 TYR 342 1020 1020 TYR TYR A . n B 2 343 VAL 343 1021 1021 VAL VAL A . n B 2 344 PHE 344 1022 1022 PHE PHE A . n B 2 345 HIS 345 1023 1023 HIS HIS A . n B 2 346 TYR 346 1024 1024 TYR TYR A . n B 2 347 LEU 347 1025 1025 LEU LEU A . n B 2 348 GLU 348 1026 1026 GLU GLU A . n B 2 349 THR 349 1027 1027 THR THR A . n B 2 350 GLY 350 1028 1028 GLY GLY A . n B 2 351 ASN 351 1029 1029 ASN ASN A . n B 2 352 HIS 352 1030 1030 HIS HIS A . n B 2 353 TRP 353 1031 1031 TRP TRP A . n B 2 354 ASN 354 1032 1032 ASN ASN A . n B 2 355 ILE 355 1033 1033 ILE ILE A . n B 2 356 PHE 356 1034 1034 PHE PHE A . n B 2 357 HIS 357 1035 1035 HIS HIS A . n B 2 358 SER 358 1036 1036 SER SER A . n B 2 359 ASP 359 1037 1037 ASP ASP A . n B 2 360 PRO 360 1038 1038 PRO PRO A . n B 2 361 LEU 361 1039 1039 LEU LEU A . n B 2 362 ILE 362 1040 1040 ILE ILE A . n B 2 363 GLU 363 1041 1041 GLU GLU A . n B 2 364 LYS 364 1042 1042 LYS LYS A . n B 2 365 GLN 365 1043 1043 GLN GLN A . n B 2 366 LYS 366 1044 1044 LYS LYS A . n B 2 367 LEU 367 1045 1045 LEU LEU A . n B 2 368 LYS 368 1046 1046 LYS LYS A . n B 2 369 LYS 369 1047 1047 LYS LYS A . n B 2 370 LYS 370 1048 1048 LYS LYS A . n B 2 371 LEU 371 1049 1049 LEU LEU A . n B 2 372 LYS 372 1050 1050 LYS LYS A . n B 2 373 GLU 373 1051 1051 GLU GLU A . n B 2 374 GLY 374 1052 1052 GLY GLY A . n B 2 375 MET 375 1053 1053 MET MET A . n B 2 376 LEU 376 1054 1054 LEU LEU A . n B 2 377 SER 377 1055 1055 SER SER A . n B 2 378 ILE 378 1056 1056 ILE ILE A . n B 2 379 MET 379 1057 1057 MET MET A . n B 2 380 SER 380 1058 1058 SER SER A . n B 2 381 TYR 381 1059 1059 TYR TYR A . n B 2 382 ARG 382 1060 1060 ARG ARG A . n B 2 383 ASN 383 1061 1061 ASN ASN A . n B 2 384 ALA 384 1062 1062 ALA ALA A . n B 2 385 ASP 385 1063 1063 ASP ASP A . n B 2 386 TYR 386 1064 1064 TYR TYR A . n B 2 387 SER 387 1065 1065 SER SER A . n B 2 388 TYR 388 1066 1066 TYR TYR A . n B 2 389 SER 389 1067 1067 SER SER A . n B 2 390 VAL 390 1068 1068 VAL VAL A . n B 2 391 TRP 391 1069 1069 TRP TRP A . n B 2 392 LYS 392 1070 1070 LYS LYS A . n B 2 393 GLY 393 1071 1071 GLY GLY A . n B 2 394 GLY 394 1072 1072 GLY GLY A . n B 2 395 SER 395 1073 1073 SER SER A . n B 2 396 ALA 396 1074 1074 ALA ALA A . n B 2 397 SER 397 1075 1075 SER SER A . n B 2 398 THR 398 1076 1076 THR THR A . n B 2 399 TRP 399 1077 1077 TRP TRP A . n B 2 400 LEU 400 1078 1078 LEU LEU A . n B 2 401 THR 401 1079 1079 THR THR A . n B 2 402 ALA 402 1080 1080 ALA ALA A . n B 2 403 PHE 403 1081 1081 PHE PHE A . n B 2 404 ALA 404 1082 1082 ALA ALA A . n B 2 405 LEU 405 1083 1083 LEU LEU A . n B 2 406 ARG 406 1084 1084 ARG ARG A . n B 2 407 VAL 407 1085 1085 VAL VAL A . n B 2 408 LEU 408 1086 1086 LEU LEU A . n B 2 409 GLY 409 1087 1087 GLY GLY A . n B 2 410 GLN 410 1088 1088 GLN GLN A . n B 2 411 VAL 411 1089 1089 VAL VAL A . n B 2 412 ASN 412 1090 1090 ASN ASN A . n B 2 413 LYS 413 1091 1091 LYS LYS A . n B 2 414 TYR 414 1092 1092 TYR TYR A . n B 2 415 VAL 415 1093 1093 VAL VAL A . n B 2 416 GLU 416 1094 1094 GLU GLU A . n B 2 417 GLN 417 1095 1095 GLN GLN A . n B 2 418 ASN 418 1096 1096 ASN ASN A . n B 2 419 GLN 419 1097 1097 GLN GLN A . n B 2 420 ASN 420 1098 1098 ASN ASN A . n B 2 421 SER 421 1099 1099 SER SER A . n B 2 422 ILE 422 1100 1100 ILE ILE A . n B 2 423 CYS 423 1101 1101 CYS CYS A . n B 2 424 ASN 424 1102 1102 ASN ASN A . n B 2 425 SER 425 1103 1103 SER SER A . n B 2 426 LEU 426 1104 1104 LEU LEU A . n B 2 427 LEU 427 1105 1105 LEU LEU A . n B 2 428 TRP 428 1106 1106 TRP TRP A . n B 2 429 LEU 429 1107 1107 LEU LEU A . n B 2 430 VAL 430 1108 1108 VAL VAL A . n B 2 431 GLU 431 1109 1109 GLU GLU A . n B 2 432 ASN 432 1110 1110 ASN ASN A . n B 2 433 TYR 433 1111 1111 TYR TYR A . n B 2 434 GLN 434 1112 1112 GLN GLN A . n B 2 435 LEU 435 1113 1113 LEU LEU A . n B 2 436 ASP 436 1114 1114 ASP ASP A . n B 2 437 ASN 437 1115 1115 ASN ASN A . n B 2 438 GLY 438 1116 1116 GLY GLY A . n B 2 439 SER 439 1117 1117 SER SER A . n B 2 440 PHE 440 1118 1118 PHE PHE A . n B 2 441 LYS 441 1119 1119 LYS LYS A . n B 2 442 GLU 442 1120 1120 GLU GLU A . n B 2 443 ASN 443 1121 1121 ASN ASN A . n B 2 444 SER 444 1122 1122 SER SER A . n B 2 445 GLN 445 1123 1123 GLN GLN A . n B 2 446 TYR 446 1124 1124 TYR TYR A . n B 2 447 GLN 447 1125 1125 GLN GLN A . n B 2 448 PRO 448 1126 1126 PRO PRO A . n B 2 449 ILE 449 1127 1127 ILE ILE A . n B 2 450 LYS 450 1128 1128 LYS LYS A . n B 2 451 LEU 451 1129 1129 LEU LEU A . n B 2 452 GLN 452 1130 1130 GLN GLN A . n B 2 453 GLY 453 1131 1131 GLY GLY A . n B 2 454 THR 454 1132 1132 THR THR A . n B 2 455 LEU 455 1133 1133 LEU LEU A . n B 2 456 PRO 456 1134 1134 PRO PRO A . n B 2 457 VAL 457 1135 1135 VAL VAL A . n B 2 458 GLU 458 1136 1136 GLU GLU A . n B 2 459 ALA 459 1137 1137 ALA ALA A . n B 2 460 ARG 460 1138 1138 ARG ARG A . n B 2 461 GLU 461 1139 1139 GLU GLU A . n B 2 462 ASN 462 1140 1140 ASN ASN A . n B 2 463 SER 463 1141 1141 SER SER A . n B 2 464 LEU 464 1142 1142 LEU LEU A . n B 2 465 TYR 465 1143 1143 TYR TYR A . n B 2 466 LEU 466 1144 1144 LEU LEU A . n B 2 467 THR 467 1145 1145 THR THR A . n B 2 468 ALA 468 1146 1146 ALA ALA A . n B 2 469 PHE 469 1147 1147 PHE PHE A . n B 2 470 THR 470 1148 1148 THR THR A . n B 2 471 VAL 471 1149 1149 VAL VAL A . n B 2 472 ILE 472 1150 1150 ILE ILE A . n B 2 473 GLY 473 1151 1151 GLY GLY A . n B 2 474 ILE 474 1152 1152 ILE ILE A . n B 2 475 ARG 475 1153 1153 ARG ARG A . n B 2 476 LYS 476 1154 1154 LYS LYS A . n B 2 477 ALA 477 1155 1155 ALA ALA A . n B 2 478 PHE 478 1156 1156 PHE PHE A . n B 2 479 ASP 479 1157 1157 ASP ASP A . n B 2 480 ILE 480 1158 1158 ILE ILE A . n B 2 481 CYS 481 1159 1159 CYS CYS A . n B 2 482 PRO 482 1160 1160 PRO PRO A . n B 2 483 LEU 483 1161 1161 LEU LEU A . n B 2 484 VAL 484 1162 1162 VAL VAL A . n B 2 485 LYS 485 1163 1163 LYS LYS A . n B 2 486 ILE 486 1164 1164 ILE ILE A . n B 2 487 ASP 487 1165 1165 ASP ASP A . n B 2 488 THR 488 1166 1166 THR THR A . n B 2 489 ALA 489 1167 1167 ALA ALA A . n B 2 490 LEU 490 1168 1168 LEU LEU A . n B 2 491 ILE 491 1169 1169 ILE ILE A . n B 2 492 LYS 492 1170 1170 LYS LYS A . n B 2 493 ALA 493 1171 1171 ALA ALA A . n B 2 494 ASP 494 1172 1172 ASP ASP A . n B 2 495 ASN 495 1173 1173 ASN ASN A . n B 2 496 PHE 496 1174 1174 PHE PHE A . n B 2 497 LEU 497 1175 1175 LEU LEU A . n B 2 498 LEU 498 1176 1176 LEU LEU A . n B 2 499 GLU 499 1177 1177 GLU GLU A . n B 2 500 ASN 500 1178 1178 ASN ASN A . n B 2 501 THR 501 1179 1179 THR THR A . n B 2 502 LEU 502 1180 1180 LEU LEU A . n B 2 503 PRO 503 1181 1181 PRO PRO A . n B 2 504 ALA 504 1182 1182 ALA ALA A . n B 2 505 GLN 505 1183 1183 GLN GLN A . n B 2 506 SER 506 1184 1184 SER SER A . n B 2 507 THR 507 1185 1185 THR THR A . n B 2 508 PHE 508 1186 1186 PHE PHE A . n B 2 509 THR 509 1187 1187 THR THR A . n B 2 510 LEU 510 1188 1188 LEU LEU A . n B 2 511 ALA 511 1189 1189 ALA ALA A . n B 2 512 ILE 512 1190 1190 ILE ILE A . n B 2 513 SER 513 1191 1191 SER SER A . n B 2 514 ALA 514 1192 1192 ALA ALA A . n B 2 515 TYR 515 1193 1193 TYR TYR A . n B 2 516 ALA 516 1194 1194 ALA ALA A . n B 2 517 LEU 517 1195 1195 LEU LEU A . n B 2 518 SER 518 1196 1196 SER SER A . n B 2 519 LEU 519 1197 1197 LEU LEU A . n B 2 520 GLY 520 1198 1198 GLY GLY A . n B 2 521 ASP 521 1199 1199 ASP ASP A . n B 2 522 LYS 522 1200 1200 LYS LYS A . n B 2 523 THR 523 1201 1201 THR THR A . n B 2 524 HIS 524 1202 1202 HIS HIS A . n B 2 525 PRO 525 1203 1203 PRO PRO A . n B 2 526 GLN 526 1204 1204 GLN GLN A . n B 2 527 PHE 527 1205 1205 PHE PHE A . n B 2 528 ARG 528 1206 1206 ARG ARG A . n B 2 529 SER 529 1207 1207 SER SER A . n B 2 530 ILE 530 1208 1208 ILE ILE A . n B 2 531 VAL 531 1209 1209 VAL VAL A . n B 2 532 SER 532 1210 1210 SER SER A . n B 2 533 ALA 533 1211 1211 ALA ALA A . n B 2 534 LEU 534 1212 1212 LEU LEU A . n B 2 535 LYS 535 1213 1213 LYS LYS A . n B 2 536 ARG 536 1214 1214 ARG ARG A . n B 2 537 GLU 537 1215 1215 GLU GLU A . n B 2 538 ALA 538 1216 1216 ALA ALA A . n B 2 539 LEU 539 1217 1217 LEU LEU A . n B 2 540 VAL 540 1218 1218 VAL VAL A . n B 2 541 LYS 541 1219 1219 LYS LYS A . n B 2 542 GLY 542 1220 1220 GLY GLY A . n B 2 543 ASN 543 1221 1221 ASN ASN A . n B 2 544 PRO 544 1222 1222 PRO PRO A . n B 2 545 PRO 545 1223 1223 PRO PRO A . n B 2 546 ILE 546 1224 1224 ILE ILE A . n B 2 547 TYR 547 1225 1225 TYR TYR A . n B 2 548 ARG 548 1226 1226 ARG ARG A . n B 2 549 PHE 549 1227 1227 PHE PHE A . n B 2 550 TRP 550 1228 1228 TRP TRP A . n B 2 551 LYS 551 1229 1229 LYS LYS A . n B 2 552 ASP 552 1230 1230 ASP ASP A . n B 2 553 ASN 553 1231 1231 ASN ASN A . n B 2 554 LEU 554 1232 1232 LEU LEU A . n B 2 555 GLN 555 1233 1233 GLN GLN A . n B 2 556 HIS 556 1234 1234 HIS HIS A . n B 2 557 LYS 557 1235 1235 LYS LYS A . n B 2 558 ASP 558 1236 1236 ASP ASP A . n B 2 559 SER 559 1237 1237 SER SER A . n B 2 560 SER 560 1238 1238 SER SER A . n B 2 561 VAL 561 1239 1239 VAL VAL A . n B 2 562 PRO 562 1240 1240 PRO PRO A . n B 2 563 ASN 563 1241 1241 ASN ASN A . n B 2 564 THR 564 1242 1242 THR THR A . n B 2 565 GLY 565 1243 1243 GLY GLY A . n B 2 566 THR 566 1244 1244 THR THR A . n B 2 567 ALA 567 1245 1245 ALA ALA A . n B 2 568 ARG 568 1246 1246 ARG ARG A . n B 2 569 MET 569 1247 1247 MET MET A . n B 2 570 VAL 570 1248 1248 VAL VAL A . n B 2 571 GLU 571 1249 1249 GLU GLU A . n B 2 572 THR 572 1250 1250 THR THR A . n B 2 573 THR 573 1251 1251 THR THR A . n B 2 574 ALA 574 1252 1252 ALA ALA A . n B 2 575 TYR 575 1253 1253 TYR TYR A . n B 2 576 ALA 576 1254 1254 ALA ALA A . n B 2 577 LEU 577 1255 1255 LEU LEU A . n B 2 578 LEU 578 1256 1256 LEU LEU A . n B 2 579 THR 579 1257 1257 THR THR A . n B 2 580 SER 580 1258 1258 SER SER A . n B 2 581 LEU 581 1259 1259 LEU LEU A . n B 2 582 ASN 582 1260 1260 ASN ASN A . n B 2 583 LEU 583 1261 1261 LEU LEU A . n B 2 584 LYS 584 1262 1262 LYS LYS A . n B 2 585 ASP 585 1263 1263 ASP ASP A . n B 2 586 ILE 586 1264 1264 ILE ILE A . n B 2 587 ASN 587 1265 1265 ASN ASN A . n B 2 588 TYR 588 1266 1266 TYR TYR A . n B 2 589 VAL 589 1267 1267 VAL VAL A . n B 2 590 ASN 590 1268 1268 ASN ASN A . n B 2 591 PRO 591 1269 1269 PRO PRO A . n B 2 592 VAL 592 1270 1270 VAL VAL A . n B 2 593 ILE 593 1271 1271 ILE ILE A . n B 2 594 LYS 594 1272 1272 LYS LYS A . n B 2 595 TRP 595 1273 1273 TRP TRP A . n B 2 596 LEU 596 1274 1274 LEU LEU A . n B 2 597 SER 597 1275 1275 SER SER A . n B 2 598 GLU 598 1276 1276 GLU GLU A . n B 2 599 GLU 599 1277 1277 GLU GLU A . n B 2 600 GLN 600 1278 1278 GLN GLN A . n B 2 601 ARG 601 1279 1279 ARG ARG A . n B 2 602 TYR 602 1280 1280 TYR TYR A . n B 2 603 GLY 603 1281 1281 GLY GLY A . n B 2 604 GLY 604 1282 1282 GLY GLY A . n B 2 605 GLY 605 1283 1283 GLY GLY A . n B 2 606 PHE 606 1284 1284 PHE PHE A . n B 2 607 TYR 607 1285 1285 TYR TYR A . n B 2 608 SER 608 1286 1286 SER SER A . n B 2 609 THR 609 1287 1287 THR THR A . n B 2 610 GLN 610 1288 1288 GLN GLN A . n B 2 611 ASP 611 1289 1289 ASP ASP A . n B 2 612 THR 612 1290 1290 THR THR A . n B 2 613 ILE 613 1291 1291 ILE ILE A . n B 2 614 ASN 614 1292 1292 ASN ASN A . n B 2 615 ALA 615 1293 1293 ALA ALA A . n B 2 616 ILE 616 1294 1294 ILE ILE A . n B 2 617 GLU 617 1295 1295 GLU GLU A . n B 2 618 GLY 618 1296 1296 GLY GLY A . n B 2 619 LEU 619 1297 1297 LEU LEU A . n B 2 620 THR 620 1298 1298 THR THR A . n B 2 621 GLU 621 1299 1299 GLU GLU A . n B 2 622 TYR 622 1300 1300 TYR TYR A . n B 2 623 SER 623 1301 1301 SER SER A . n B 2 624 LEU 624 1302 1302 LEU LEU A . n B 2 625 LEU 625 1303 1303 LEU LEU A . n B 2 626 VAL 626 1304 1304 VAL VAL A . n B 2 627 LYS 627 1305 1305 LYS LYS A . n B 2 628 GLN 628 1306 1306 GLN GLN A . n B 2 629 LEU 629 1307 1307 LEU LEU A . n B 2 630 ARG 630 1308 1308 ARG ARG A . n B 2 631 LEU 631 1309 1309 LEU LEU A . n B 2 632 SER 632 1310 1310 SER SER A . n B 2 633 MET 633 1311 1311 MET MET A . n B 2 634 ASP 634 1312 1312 ASP ASP A . n B 2 635 ILE 635 1313 1313 ILE ILE A . n B 2 636 ASP 636 1314 1314 ASP ASP A . n B 2 637 VAL 637 1315 1315 VAL VAL A . n B 2 638 SER 638 1316 1316 SER SER A . n B 2 639 TYR 639 1317 1317 TYR TYR A . n B 2 640 LYS 640 1318 1318 LYS LYS A . n B 2 641 HIS 641 1319 1319 HIS HIS A . n B 2 642 LYS 642 1320 1320 LYS LYS A . n B 2 643 GLY 643 1321 1321 GLY GLY A . n B 2 644 ALA 644 1322 1322 ALA ALA A . n B 2 645 LEU 645 1323 1323 LEU LEU A . n B 2 646 HIS 646 1324 1324 HIS HIS A . n B 2 647 ASN 647 1325 1325 ASN ASN A . n B 2 648 TYR 648 1326 1326 TYR TYR A . n B 2 649 LYS 649 1327 1327 LYS LYS A . n B 2 650 MET 650 1328 1328 MET MET A . n B 2 651 THR 651 1329 1329 THR THR A . n B 2 652 ASP 652 1330 1330 ASP ASP A . n B 2 653 LYS 653 1331 1331 LYS LYS A . n B 2 654 ASN 654 1332 1332 ASN ASN A . n B 2 655 PHE 655 1333 1333 PHE PHE A . n B 2 656 LEU 656 1334 1334 LEU LEU A . n B 2 657 GLY 657 1335 1335 GLY GLY A . n B 2 658 ARG 658 1336 1336 ARG ARG A . n B 2 659 PRO 659 1337 1337 PRO PRO A . n B 2 660 VAL 660 1338 1338 VAL VAL A . n B 2 661 GLU 661 1339 1339 GLU GLU A . n B 2 662 VAL 662 1340 1340 VAL VAL A . n B 2 663 LEU 663 1341 1341 LEU LEU A . n B 2 664 LEU 664 1342 1342 LEU LEU A . n B 2 665 ASN 665 1343 1343 ASN ASN A . n B 2 666 ASP 666 1344 1344 ASP ASP A . n B 2 667 ASP 667 1345 1345 ASP ASP A . n B 2 668 LEU 668 1346 1346 LEU LEU A . n B 2 669 ILE 669 1347 1347 ILE ILE A . n B 2 670 VAL 670 1348 1348 VAL VAL A . n B 2 671 SER 671 1349 1349 SER SER A . n B 2 672 THR 672 1350 1350 THR THR A . n B 2 673 GLY 673 1351 1351 GLY GLY A . n B 2 674 PHE 674 1352 1352 PHE PHE A . n B 2 675 GLY 675 1353 1353 GLY GLY A . n B 2 676 SER 676 1354 1354 SER SER A . n B 2 677 GLY 677 1355 1355 GLY GLY A . n B 2 678 LEU 678 1356 1356 LEU LEU A . n B 2 679 ALA 679 1357 1357 ALA ALA A . n B 2 680 THR 680 1358 1358 THR THR A . n B 2 681 VAL 681 1359 1359 VAL VAL A . n B 2 682 HIS 682 1360 1360 HIS HIS A . n B 2 683 VAL 683 1361 1361 VAL VAL A . n B 2 684 THR 684 1362 1362 THR THR A . n B 2 685 THR 685 1363 1363 THR THR A . n B 2 686 VAL 686 1364 1364 VAL VAL A . n B 2 687 VAL 687 1365 1365 VAL VAL A . n B 2 688 HIS 688 1366 1366 HIS HIS A . n B 2 689 LYS 689 1367 1367 LYS LYS A . n B 2 690 THR 690 1368 1368 THR THR A . n B 2 691 SER 691 1369 1369 SER SER A . n B 2 692 THR 692 1370 1370 THR THR A . n B 2 693 SER 693 1371 1371 SER SER A . n B 2 694 GLU 694 1372 1372 GLU GLU A . n B 2 695 GLU 695 1373 1373 GLU GLU A . n B 2 696 VAL 696 1374 1374 VAL VAL A . n B 2 697 CYS 697 1375 1375 CYS CYS A . n B 2 698 SER 698 1376 1376 SER SER A . n B 2 699 PHE 699 1377 1377 PHE PHE A . n B 2 700 TYR 700 1378 1378 TYR TYR A . n B 2 701 LEU 701 1379 1379 LEU LEU A . n B 2 702 LYS 702 1380 1380 LYS LYS A . n B 2 703 ILE 703 1381 1381 ILE ILE A . n B 2 704 ASP 704 1382 1382 ASP ASP A . n B 2 705 THR 705 1383 1383 THR THR A . n B 2 706 GLN 706 1384 1384 GLN GLN A . n B 2 707 ASP 707 1385 1385 ASP ASP A . n B 2 708 ILE 708 1386 1386 ILE ILE A . n B 2 709 GLU 709 1387 1387 GLU GLU A . n B 2 710 ALA 710 1388 1388 ALA ALA A . n B 2 711 SER 711 1389 ? ? ? A . n B 2 712 HIS 712 1390 ? ? ? A . n B 2 713 TYR 713 1391 ? ? ? A . n B 2 714 ARG 714 1392 ? ? ? A . n B 2 715 GLY 715 1393 ? ? ? A . n B 2 716 TYR 716 1394 ? ? ? A . n B 2 717 GLY 717 1395 ? ? ? A . n B 2 718 ASN 718 1396 ? ? ? A . n B 2 719 SER 719 1397 ? ? ? A . n B 2 720 ASP 720 1398 ? ? ? A . n B 2 721 TYR 721 1399 ? ? ? A . n B 2 722 LYS 722 1400 1400 LYS LYS A . n B 2 723 ARG 723 1401 1401 ARG ARG A . n B 2 724 ILE 724 1402 1402 ILE ILE A . n B 2 725 VAL 725 1403 1403 VAL VAL A . n B 2 726 ALA 726 1404 1404 ALA ALA A . n B 2 727 CYS 727 1405 1405 CYS CYS A . n B 2 728 ALA 728 1406 1406 ALA ALA A . n B 2 729 SER 729 1407 1407 SER SER A . n B 2 730 TYR 730 1408 1408 TYR TYR A . n B 2 731 LYS 731 1409 1409 LYS LYS A . n B 2 732 PRO 732 1410 1410 PRO PRO A . n B 2 733 SER 733 1411 1411 SER SER A . n B 2 734 ARG 734 1412 1412 ARG ARG A . n B 2 735 GLU 735 1413 1413 GLU GLU A . n B 2 736 GLU 736 1414 1414 GLU GLU A . n B 2 737 SER 737 1415 1415 SER SER A . n B 2 738 SER 738 1416 1416 SER SER A . n B 2 739 SER 739 1417 1417 SER SER A . n B 2 740 GLY 740 1418 1418 GLY GLY A . n B 2 741 SER 741 1419 1419 SER SER A . n B 2 742 SER 742 1420 1420 SER SER A . n B 2 743 HIS 743 1421 1421 HIS HIS A . n B 2 744 ALA 744 1422 1422 ALA ALA A . n B 2 745 VAL 745 1423 1423 VAL VAL A . n B 2 746 MET 746 1424 1424 MET MET A . n B 2 747 ASP 747 1425 1425 ASP ASP A . n B 2 748 ILE 748 1426 1426 ILE ILE A . n B 2 749 SER 749 1427 1427 SER SER A . n B 2 750 LEU 750 1428 1428 LEU LEU A . n B 2 751 PRO 751 1429 1429 PRO PRO A . n B 2 752 THR 752 1430 1430 THR THR A . n B 2 753 GLY 753 1431 1431 GLY GLY A . n B 2 754 ILE 754 1432 1432 ILE ILE A . n B 2 755 SER 755 1433 1433 SER SER A . n B 2 756 ALA 756 1434 1434 ALA ALA A . n B 2 757 ASN 757 1435 1435 ASN ASN A . n B 2 758 GLU 758 1436 1436 GLU GLU A . n B 2 759 GLU 759 1437 1437 GLU GLU A . n B 2 760 ASP 760 1438 1438 ASP ASP A . n B 2 761 LEU 761 1439 1439 LEU LEU A . n B 2 762 LYS 762 1440 1440 LYS LYS A . n B 2 763 ALA 763 1441 1441 ALA ALA A . n B 2 764 LEU 764 1442 1442 LEU LEU A . n B 2 765 VAL 765 1443 1443 VAL VAL A . n B 2 766 GLU 766 1444 1444 GLU GLU A . n B 2 767 GLY 767 1445 1445 GLY GLY A . n B 2 768 VAL 768 1446 1446 VAL VAL A . n B 2 769 ASP 769 1447 1447 ASP ASP A . n B 2 770 GLN 770 1448 1448 GLN GLN A . n B 2 771 LEU 771 1449 1449 LEU LEU A . n B 2 772 PHE 772 1450 1450 PHE PHE A . n B 2 773 THR 773 1451 1451 THR THR A . n B 2 774 ASP 774 1452 1452 ASP ASP A . n B 2 775 TYR 775 1453 1453 TYR TYR A . n B 2 776 GLN 776 1454 1454 GLN GLN A . n B 2 777 ILE 777 1455 1455 ILE ILE A . n B 2 778 LYS 778 1456 1456 LYS LYS A . n B 2 779 ASP 779 1457 1457 ASP ASP A . n B 2 780 GLY 780 1458 1458 GLY GLY A . n B 2 781 HIS 781 1459 1459 HIS HIS A . n B 2 782 VAL 782 1460 1460 VAL VAL A . n B 2 783 ILE 783 1461 1461 ILE ILE A . n B 2 784 LEU 784 1462 1462 LEU LEU A . n B 2 785 GLN 785 1463 1463 GLN GLN A . n B 2 786 LEU 786 1464 1464 LEU LEU A . n B 2 787 ASN 787 1465 1465 ASN ASN A . n B 2 788 SER 788 1466 1466 SER SER A . n B 2 789 ILE 789 1467 1467 ILE ILE A . n B 2 790 PRO 790 1468 1468 PRO PRO A . n B 2 791 SER 791 1469 1469 SER SER A . n B 2 792 SER 792 1470 1470 SER SER A . n B 2 793 ASP 793 1471 1471 ASP ASP A . n B 2 794 PHE 794 1472 1472 PHE PHE A . n B 2 795 LEU 795 1473 1473 LEU LEU A . n B 2 796 CYS 796 1474 1474 CYS CYS A . n B 2 797 VAL 797 1475 1475 VAL VAL A . n B 2 798 ARG 798 1476 1476 ARG ARG A . n B 2 799 PHE 799 1477 1477 PHE PHE A . n B 2 800 ARG 800 1478 1478 ARG ARG A . n B 2 801 ILE 801 1479 1479 ILE ILE A . n B 2 802 PHE 802 1480 1480 PHE PHE A . n B 2 803 GLU 803 1481 1481 GLU GLU A . n B 2 804 LEU 804 1482 1482 LEU LEU A . n B 2 805 PHE 805 1483 1483 PHE PHE A . n B 2 806 GLU 806 1484 1484 GLU GLU A . n B 2 807 VAL 807 1485 1485 VAL VAL A . n B 2 808 GLY 808 1486 1486 GLY GLY A . n B 2 809 PHE 809 1487 1487 PHE PHE A . n B 2 810 LEU 810 1488 1488 LEU LEU A . n B 2 811 SER 811 1489 1489 SER SER A . n B 2 812 PRO 812 1490 1490 PRO PRO A . n B 2 813 ALA 813 1491 1491 ALA ALA A . n B 2 814 THR 814 1492 1492 THR THR A . n B 2 815 PHE 815 1493 1493 PHE PHE A . n B 2 816 THR 816 1494 1494 THR THR A . n B 2 817 VAL 817 1495 1495 VAL VAL A . n B 2 818 TYR 818 1496 1496 TYR TYR A . n B 2 819 GLU 819 1497 1497 GLU GLU A . n B 2 820 TYR 820 1498 1498 TYR TYR A . n B 2 821 HIS 821 1499 1499 HIS HIS A . n B 2 822 ARG 822 1500 1500 ARG ARG A . n B 2 823 PRO 823 1501 1501 PRO PRO A . n B 2 824 ASP 824 1502 1502 ASP ASP A . n B 2 825 LYS 825 1503 1503 LYS LYS A . n B 2 826 GLN 826 1504 1504 GLN GLN A . n B 2 827 CYS 827 1505 1505 CYS CYS A . n B 2 828 THR 828 1506 1506 THR THR A . n B 2 829 MET 829 1507 1507 MET MET A . n B 2 830 PHE 830 1508 1508 PHE PHE A . n B 2 831 TYR 831 1509 1509 TYR TYR A . n B 2 832 SER 832 1510 1510 SER SER A . n B 2 833 THR 833 1511 1511 THR THR A . n B 2 834 SER 834 1512 1512 SER SER A . n B 2 835 ASN 835 1513 1513 ASN ASN A . n B 2 836 ILE 836 1514 1514 ILE ILE A . n B 2 837 LYS 837 1515 1515 LYS LYS A . n B 2 838 ILE 838 1516 1516 ILE ILE A . n B 2 839 GLN 839 1517 1517 GLN GLN A . n B 2 840 LYS 840 1518 1518 LYS LYS A . n B 2 841 VAL 841 1519 1519 VAL VAL A . n B 2 842 CYS 842 1520 1520 CYS CYS A . n B 2 843 GLU 843 1521 1521 GLU GLU A . n B 2 844 GLY 844 1522 1522 GLY GLY A . n B 2 845 ALA 845 1523 1523 ALA ALA A . n B 2 846 ALA 846 1524 1524 ALA ALA A . n B 2 847 CYS 847 1525 1525 CYS CYS A . n B 2 848 LYS 848 1526 1526 LYS LYS A . n B 2 849 CYS 849 1527 1527 CYS CYS A . n B 2 850 VAL 850 1528 1528 VAL VAL A . n B 2 851 GLU 851 1529 1529 GLU GLU A . n B 2 852 ALA 852 1530 1530 ALA ALA A . n B 2 853 ASP 853 1531 1531 ASP ASP A . n B 2 854 CYS 854 1532 1532 CYS CYS A . n B 2 855 GLY 855 1533 1533 GLY GLY A . n B 2 856 GLN 856 1534 1534 GLN GLN A . n B 2 857 MET 857 1535 1535 MET MET A . n B 2 858 GLN 858 1536 1536 GLN GLN A . n B 2 859 GLU 859 1537 1537 GLU GLU A . n B 2 860 GLU 860 1538 1538 GLU GLU A . n B 2 861 LEU 861 1539 1539 LEU LEU A . n B 2 862 ASP 862 1540 1540 ASP ASP A . n B 2 863 LEU 863 1541 1541 LEU LEU A . n B 2 864 THR 864 1542 1542 THR THR A . n B 2 865 ILE 865 1543 1543 ILE ILE A . n B 2 866 SER 866 1544 1544 SER SER A . n B 2 867 ALA 867 1545 1545 ALA ALA A . n B 2 868 GLU 868 1546 1546 GLU GLU A . n B 2 869 THR 869 1547 1547 THR THR A . n B 2 870 ARG 870 1548 1548 ARG ARG A . n B 2 871 LYS 871 1549 1549 LYS LYS A . n B 2 872 GLN 872 1550 1550 GLN GLN A . n B 2 873 THR 873 1551 1551 THR THR A . n B 2 874 ALA 874 1552 1552 ALA ALA A . n B 2 875 CYS 875 1553 1553 CYS CYS A . n B 2 876 LYS 876 1554 1554 LYS LYS A . n B 2 877 PRO 877 1555 1555 PRO PRO A . n B 2 878 GLU 878 1556 1556 GLU GLU A . n B 2 879 ILE 879 1557 1557 ILE ILE A . n B 2 880 ALA 880 1558 1558 ALA ALA A . n B 2 881 TYR 881 1559 1559 TYR TYR A . n B 2 882 ALA 882 1560 1560 ALA ALA A . n B 2 883 TYR 883 1561 1561 TYR TYR A . n B 2 884 LYS 884 1562 1562 LYS LYS A . n B 2 885 VAL 885 1563 1563 VAL VAL A . n B 2 886 SER 886 1564 1564 SER SER A . n B 2 887 ILE 887 1565 1565 ILE ILE A . n B 2 888 THR 888 1566 1566 THR THR A . n B 2 889 SER 889 1567 1567 SER SER A . n B 2 890 ILE 890 1568 1568 ILE ILE A . n B 2 891 THR 891 1569 1569 THR THR A . n B 2 892 VAL 892 1570 1570 VAL VAL A . n B 2 893 GLU 893 1571 1571 GLU GLU A . n B 2 894 ASN 894 1572 1572 ASN ASN A . n B 2 895 VAL 895 1573 1573 VAL VAL A . n B 2 896 PHE 896 1574 1574 PHE PHE A . n B 2 897 VAL 897 1575 1575 VAL VAL A . n B 2 898 LYS 898 1576 1576 LYS LYS A . n B 2 899 TYR 899 1577 1577 TYR TYR A . n B 2 900 LYS 900 1578 1578 LYS LYS A . n B 2 901 ALA 901 1579 1579 ALA ALA A . n B 2 902 THR 902 1580 1580 THR THR A . n B 2 903 LEU 903 1581 1581 LEU LEU A . n B 2 904 LEU 904 1582 1582 LEU LEU A . n B 2 905 ASP 905 1583 1583 ASP ASP A . n B 2 906 ILE 906 1584 1584 ILE ILE A . n B 2 907 TYR 907 1585 1585 TYR TYR A . n B 2 908 LYS 908 1586 1586 LYS LYS A . n B 2 909 THR 909 1587 1587 THR THR A . n B 2 910 GLY 910 1588 1588 GLY GLY A . n B 2 911 GLU 911 1589 1589 GLU GLU A . n B 2 912 ALA 912 1590 1590 ALA ALA A . n B 2 913 VAL 913 1591 1591 VAL VAL A . n B 2 914 ALA 914 1592 1592 ALA ALA A . n B 2 915 GLU 915 1593 1593 GLU GLU A . n B 2 916 LYS 916 1594 1594 LYS LYS A . n B 2 917 ASP 917 1595 1595 ASP ASP A . n B 2 918 SER 918 1596 1596 SER SER A . n B 2 919 GLU 919 1597 1597 GLU GLU A . n B 2 920 ILE 920 1598 1598 ILE ILE A . n B 2 921 THR 921 1599 1599 THR THR A . n B 2 922 PHE 922 1600 1600 PHE PHE A . n B 2 923 ILE 923 1601 1601 ILE ILE A . n B 2 924 LYS 924 1602 1602 LYS LYS A . n B 2 925 LYS 925 1603 1603 LYS LYS A . n B 2 926 VAL 926 1604 1604 VAL VAL A . n B 2 927 THR 927 1605 1605 THR THR A . n B 2 928 CYS 928 1606 1606 CYS CYS A . n B 2 929 THR 929 1607 1607 THR THR A . n B 2 930 ASN 930 1608 1608 ASN ASN A . n B 2 931 ALA 931 1609 1609 ALA ALA A . n B 2 932 GLU 932 1610 1610 GLU GLU A . n B 2 933 LEU 933 1611 1611 LEU LEU A . n B 2 934 VAL 934 1612 1612 VAL VAL A . n B 2 935 LYS 935 1613 1613 LYS LYS A . n B 2 936 GLY 936 1614 1614 GLY GLY A . n B 2 937 ARG 937 1615 1615 ARG ARG A . n B 2 938 GLN 938 1616 1616 GLN GLN A . n B 2 939 TYR 939 1617 1617 TYR TYR A . n B 2 940 LEU 940 1618 1618 LEU LEU A . n B 2 941 ILE 941 1619 1619 ILE ILE A . n B 2 942 MET 942 1620 1620 MET MET A . n B 2 943 GLY 943 1621 1621 GLY GLY A . n B 2 944 LYS 944 1622 1622 LYS LYS A . n B 2 945 GLU 945 1623 1623 GLU GLU A . n B 2 946 ALA 946 1624 1624 ALA ALA A . n B 2 947 LEU 947 1625 1625 LEU LEU A . n B 2 948 GLN 948 1626 1626 GLN GLN A . n B 2 949 ILE 949 1627 1627 ILE ILE A . n B 2 950 LYS 950 1628 1628 LYS LYS A . n B 2 951 TYR 951 1629 1629 TYR TYR A . n B 2 952 ASN 952 1630 1630 ASN ASN A . n B 2 953 PHE 953 1631 1631 PHE PHE A . n B 2 954 SER 954 1632 1632 SER SER A . n B 2 955 PHE 955 1633 1633 PHE PHE A . n B 2 956 ARG 956 1634 1634 ARG ARG A . n B 2 957 TYR 957 1635 1635 TYR TYR A . n B 2 958 ILE 958 1636 1636 ILE ILE A . n B 2 959 TYR 959 1637 1637 TYR TYR A . n B 2 960 PRO 960 1638 1638 PRO PRO A . n B 2 961 LEU 961 1639 1639 LEU LEU A . n B 2 962 ASP 962 1640 1640 ASP ASP A . n B 2 963 SER 963 1641 1641 SER SER A . n B 2 964 LEU 964 1642 1642 LEU LEU A . n B 2 965 THR 965 1643 1643 THR THR A . n B 2 966 TRP 966 1644 1644 TRP TRP A . n B 2 967 ILE 967 1645 1645 ILE ILE A . n B 2 968 GLU 968 1646 1646 GLU GLU A . n B 2 969 TYR 969 1647 1647 TYR TYR A . n B 2 970 TRP 970 1648 1648 TRP TRP A . n B 2 971 PRO 971 1649 1649 PRO PRO A . n B 2 972 ARG 972 1650 1650 ARG ARG A . n B 2 973 ASP 973 1651 1651 ASP ASP A . n B 2 974 THR 974 1652 1652 THR THR A . n B 2 975 THR 975 1653 1653 THR THR A . n B 2 976 CYS 976 1654 1654 CYS CYS A . n B 2 977 SER 977 1655 1655 SER SER A . n B 2 978 SER 978 1656 1656 SER SER A . n B 2 979 CYS 979 1657 1657 CYS CYS A . n B 2 980 GLN 980 1658 1658 GLN GLN A . n B 2 981 ALA 981 1659 1659 ALA ALA A . n B 2 982 PHE 982 1660 1660 PHE PHE A . n B 2 983 LEU 983 1661 1661 LEU LEU A . n B 2 984 ALA 984 1662 1662 ALA ALA A . n B 2 985 ASN 985 1663 1663 ASN ASN A . n B 2 986 LEU 986 1664 1664 LEU LEU A . n B 2 987 ASP 987 1665 1665 ASP ASP A . n B 2 988 GLU 988 1666 1666 GLU GLU A . n B 2 989 PHE 989 1667 1667 PHE PHE A . n B 2 990 ALA 990 1668 1668 ALA ALA A . n B 2 991 GLU 991 1669 1669 GLU GLU A . n B 2 992 ASP 992 1670 1670 ASP ASP A . n B 2 993 ILE 993 1671 1671 ILE ILE A . n B 2 994 PHE 994 1672 1672 PHE PHE A . n B 2 995 LEU 995 1673 1673 LEU LEU A . n B 2 996 ASN 996 1674 1674 ASN ASN A . n B 2 997 GLY 997 1675 1675 GLY GLY A . n B 2 998 CYS 998 1676 1676 CYS CYS A . n C 3 1 MET 1 4 ? ? ? C . n C 3 2 ALA 2 5 ? ? ? C . n C 3 3 SER 3 6 ? ? ? C . n C 3 4 HIS 4 7 ? ? ? C . n C 3 5 HIS 5 8 ? ? ? C . n C 3 6 HIS 6 9 ? ? ? C . n C 3 7 HIS 7 10 ? ? ? C . n C 3 8 HIS 8 11 ? ? ? C . n C 3 9 HIS 9 12 ? ? ? C . n C 3 10 HIS 10 13 ? ? ? C . n C 3 11 HIS 11 14 ? ? ? C . n C 3 12 HIS 12 15 ? ? ? C . n C 3 13 HIS 13 16 ? ? ? C . n C 3 14 SER 14 17 ? ? ? C . n C 3 15 GLY 15 18 ? ? ? C . n C 3 16 ASP 16 19 ? ? ? C . n C 3 17 SER 17 20 ? ? ? C . n C 3 18 GLU 18 21 21 GLU GLU C . n C 3 19 SER 19 22 22 SER SER C . n C 3 20 ASP 20 23 23 ASP ASP C . n C 3 21 CYS 21 24 24 CYS CYS C . n C 3 22 THR 22 25 25 THR THR C . n C 3 23 GLY 23 26 26 GLY GLY C . n C 3 24 SER 24 27 27 SER SER C . n C 3 25 GLU 25 28 28 GLU GLU C . n C 3 26 PRO 26 29 29 PRO PRO C . n C 3 27 VAL 27 30 30 VAL VAL C . n C 3 28 ASP 28 31 31 ASP ASP C . n C 3 29 ALA 29 32 32 ALA ALA C . n C 3 30 PHE 30 33 33 PHE PHE C . n C 3 31 GLN 31 34 34 GLN GLN C . n C 3 32 ALA 32 35 35 ALA ALA C . n C 3 33 PHE 33 36 36 PHE PHE C . n C 3 34 SER 34 37 37 SER SER C . n C 3 35 GLU 35 38 38 GLU GLU C . n C 3 36 GLY 36 39 39 GLY GLY C . n C 3 37 LYS 37 40 40 LYS LYS C . n C 3 38 GLU 38 41 41 GLU GLU C . n C 3 39 ALA 39 42 42 ALA ALA C . n C 3 40 TYR 40 43 43 TYR TYR C . n C 3 41 VAL 41 44 44 VAL VAL C . n C 3 42 LEU 42 45 45 LEU LEU C . n C 3 43 VAL 43 46 46 VAL VAL C . n C 3 44 ARG 44 47 47 ARG ARG C . n C 3 45 SER 45 48 48 SER SER C . n C 3 46 THR 46 49 49 THR THR C . n C 3 47 ASP 47 50 50 ASP ASP C . n C 3 48 PRO 48 51 51 PRO PRO C . n C 3 49 LYS 49 52 52 LYS LYS C . n C 3 50 ALA 50 53 53 ALA ALA C . n C 3 51 ARG 51 54 54 ARG ARG C . n C 3 52 ASP 52 55 55 ASP ASP C . n C 3 53 CYS 53 56 56 CYS CYS C . n C 3 54 LEU 54 57 57 LEU LEU C . n C 3 55 LYS 55 58 58 LYS LYS C . n C 3 56 GLY 56 59 59 GLY GLY C . n C 3 57 GLU 57 60 60 GLU GLU C . n C 3 58 PRO 58 61 61 PRO PRO C . n C 3 59 ALA 59 62 62 ALA ALA C . n C 3 60 GLY 60 63 63 GLY GLY C . n C 3 61 GLU 61 64 64 GLU GLU C . n C 3 62 LYS 62 65 65 LYS LYS C . n C 3 63 GLN 63 66 66 GLN GLN C . n C 3 64 ASP 64 67 67 ASP ASP C . n C 3 65 ASN 65 68 68 ASN ASN C . n C 3 66 THR 66 69 69 THR THR C . n C 3 67 LEU 67 70 70 LEU LEU C . n C 3 68 PRO 68 71 71 PRO PRO C . n C 3 69 VAL 69 72 72 VAL VAL C . n C 3 70 MET 70 73 73 MET MET C . n C 3 71 MET 71 74 74 MET MET C . n C 3 72 THR 72 75 75 THR THR C . n C 3 73 PHE 73 76 76 PHE PHE C . n C 3 74 LYS 74 77 77 LYS LYS C . n C 3 75 GLN 75 78 78 GLN GLN C . n C 3 76 GLY 76 79 79 GLY GLY C . n C 3 77 THR 77 80 80 THR THR C . n C 3 78 ASP 78 81 81 ASP ASP C . n C 3 79 TRP 79 82 82 TRP TRP C . n C 3 80 ALA 80 83 83 ALA ALA C . n C 3 81 SER 81 84 84 SER SER C . n C 3 82 THR 82 85 85 THR THR C . n C 3 83 ASP 83 86 86 ASP ASP C . n C 3 84 TRP 84 87 87 TRP TRP C . n C 3 85 THR 85 88 88 THR THR C . n C 3 86 PHE 86 89 89 PHE PHE C . n C 3 87 THR 87 90 90 THR THR C . n C 3 88 LEU 88 91 91 LEU LEU C . n C 3 89 ASP 89 92 92 ASP ASP C . n C 3 90 GLY 90 93 93 GLY GLY C . n C 3 91 ALA 91 94 94 ALA ALA C . n C 3 92 LYS 92 95 95 LYS LYS C . n C 3 93 VAL 93 96 96 VAL VAL C . n C 3 94 THR 94 97 97 THR THR C . n C 3 95 ALA 95 98 98 ALA ALA C . n C 3 96 THR 96 99 99 THR THR C . n C 3 97 LEU 97 100 100 LEU LEU C . n C 3 98 GLY 98 101 101 GLY GLY C . n C 3 99 GLN 99 102 102 GLN GLN C . n C 3 100 LEU 100 103 103 LEU LEU C . n C 3 101 THR 101 104 104 THR THR C . n C 3 102 GLN 102 105 105 GLN GLN C . n C 3 103 ASN 103 106 106 ASN ASN C . n C 3 104 ARG 104 107 107 ARG ARG C . n C 3 105 GLU 105 108 108 GLU GLU C . n C 3 106 VAL 106 109 109 VAL VAL C . n C 3 107 VAL 107 110 110 VAL VAL C . n C 3 108 TYR 108 111 111 TYR TYR C . n C 3 109 ASP 109 112 112 ASP ASP C . n C 3 110 SER 110 113 113 SER SER C . n C 3 111 GLN 111 114 114 GLN GLN C . n C 3 112 SER 112 115 115 SER SER C . n C 3 113 HIS 113 116 116 HIS HIS C . n C 3 114 HIS 114 117 117 HIS HIS C . n C 3 115 CYS 115 118 118 CYS CYS C . n C 3 116 HIS 116 119 119 HIS HIS C . n C 3 117 VAL 117 120 120 VAL VAL C . n C 3 118 ASP 118 121 121 ASP ASP C . n C 3 119 LYS 119 122 122 LYS LYS C . n C 3 120 VAL 120 123 123 VAL VAL C . n C 3 121 GLU 121 124 124 GLU GLU C . n C 3 122 LYS 122 125 125 LYS LYS C . n C 3 123 GLU 123 126 126 GLU GLU C . n C 3 124 VAL 124 127 127 VAL VAL C . n C 3 125 PRO 125 128 128 PRO PRO C . n C 3 126 ASP 126 129 129 ASP ASP C . n C 3 127 TYR 127 130 130 TYR TYR C . n C 3 128 GLU 128 131 131 GLU GLU C . n C 3 129 MET 129 132 132 MET MET C . n C 3 130 TRP 130 133 133 TRP TRP C . n C 3 131 MET 131 134 134 MET MET C . n C 3 132 LEU 132 135 135 LEU LEU C . n C 3 133 ASP 133 136 136 ASP ASP C . n C 3 134 ALA 134 137 137 ALA ALA C . n C 3 135 GLY 135 138 138 GLY GLY C . n C 3 136 GLY 136 139 139 GLY GLY C . n C 3 137 LEU 137 140 140 LEU LEU C . n C 3 138 GLU 138 141 141 GLU GLU C . n C 3 139 VAL 139 142 142 VAL VAL C . n C 3 140 GLU 140 143 143 GLU GLU C . n C 3 141 VAL 141 144 144 VAL VAL C . n C 3 142 GLU 142 145 145 GLU GLU C . n C 3 143 CYS 143 146 146 CYS CYS C . n C 3 144 CYS 144 147 147 CYS CYS C . n C 3 145 ARG 145 148 148 ARG ARG C . n C 3 146 GLN 146 149 149 GLN GLN C . n C 3 147 LYS 147 150 150 LYS LYS C . n C 3 148 LEU 148 151 151 LEU LEU C . n C 3 149 GLU 149 152 152 GLU GLU C . n C 3 150 GLU 150 153 153 GLU GLU C . n C 3 151 LEU 151 154 154 LEU LEU C . n C 3 152 ALA 152 155 155 ALA ALA C . n C 3 153 SER 153 156 156 SER SER C . n C 3 154 GLY 154 157 157 GLY GLY C . n C 3 155 ARG 155 158 158 ARG ARG C . n C 3 156 ASN 156 159 159 ASN ASN C . n C 3 157 GLN 157 160 160 GLN GLN C . n C 3 158 MET 158 161 161 MET MET C . n C 3 159 TYR 159 162 162 TYR TYR C . n C 3 160 PRO 160 163 163 PRO PRO C . n C 3 161 HIS 161 164 164 HIS HIS C . n C 3 162 LEU 162 165 165 LEU LEU C . n C 3 163 LYS 163 166 166 LYS LYS C . n C 3 164 ASP 164 167 167 ASP ASP C . n C 3 165 CYS 165 168 168 CYS CYS C . n D 4 1 GLY 1 -1 ? ? ? D . n D 4 2 PRO 2 0 ? ? ? D . n D 4 3 MET 3 1 ? ? ? D . n D 4 4 SER 4 2 ? ? ? D . n D 4 5 GLY 5 3 ? ? ? D . n D 4 6 GLU 6 4 ? ? ? D . n D 4 7 SER 7 5 ? ? ? D . n D 4 8 GLN 8 6 ? ? ? D . n D 4 9 SER 9 7 ? ? ? D . n D 4 10 ILE 10 8 ? ? ? D . n D 4 11 GLN 11 9 ? ? ? D . n D 4 12 ARG 12 10 ? ? ? D . n D 4 13 LYS 13 11 ? ? ? D . n D 4 14 GLY 14 12 ? ? ? D . n D 4 15 GLN 15 13 ? ? ? D . n D 4 16 CYS 16 14 14 CYS CYS D . n D 4 17 GLU 17 15 15 GLU GLU D . n D 4 18 GLU 18 16 16 GLU GLU D . n D 4 19 VAL 19 17 17 VAL VAL D . n D 4 20 ILE 20 18 18 ILE ILE D . n D 4 21 CYS 21 19 19 CYS CYS D . n D 4 22 HIS 22 20 20 HIS HIS D . n D 4 23 ARG 23 21 21 ARG ARG D . n D 4 24 LYS 24 22 22 LYS LYS D . n D 4 25 LEU 25 23 23 LEU LEU D . n D 4 26 ASN 26 24 24 ASN ASN D . n D 4 27 HIS 27 25 25 HIS HIS D . n D 4 28 LEU 28 26 26 LEU LEU D . n D 4 29 GLY 29 27 27 GLY GLY D . n D 4 30 GLU 30 28 28 GLU GLU D . n D 4 31 ARG 31 29 29 ARG ARG D . n D 4 32 VAL 32 30 30 VAL VAL D . n D 4 33 THR 33 31 31 THR THR D . n D 4 34 SER 34 32 32 SER SER D . n D 4 35 GLY 35 33 33 GLY GLY D . n D 4 36 CYS 36 34 34 CYS CYS D . n D 4 37 PRO 37 35 35 PRO PRO D . n D 4 38 THR 38 36 36 THR THR D . n D 4 39 GLY 39 37 37 GLY GLY D . n D 4 40 CYS 40 38 38 CYS CYS D . n D 4 41 LEU 41 39 39 LEU LEU D . n D 4 42 CYS 42 40 40 CYS CYS D . n D 4 43 VAL 43 41 41 VAL VAL D . n D 4 44 ILE 44 42 42 ILE ILE D . n D 4 45 ARG 45 43 43 ARG ARG D . n D 4 46 GLU 46 44 44 GLU GLU D . n D 4 47 PRO 47 45 45 PRO PRO D . n D 4 48 ASP 48 46 46 ASP ASP D . n D 4 49 ASN 49 47 47 ASN ASN D . n D 4 50 VAL 50 48 48 VAL VAL D . n D 4 51 ASP 51 49 49 ASP ASP D . n D 4 52 ASN 52 50 50 ASN ASN D . n D 4 53 ALA 53 51 51 ALA ALA D . n D 4 54 ASN 54 52 52 ASN ASN D . n D 4 55 GLY 55 53 53 GLY GLY D . n D 4 56 THR 56 54 54 THR THR D . n D 4 57 CYS 57 55 55 CYS CYS D . n D 4 58 TYR 58 56 56 TYR TYR D . n D 4 59 ALA 59 57 57 ALA ALA D . n D 4 60 LEU 60 58 58 LEU LEU D . n D 4 61 MET 61 59 59 MET MET D . n D 4 62 SER 62 60 60 SER SER D . n D 4 63 SER 63 61 ? ? ? D . n D 4 64 THR 64 62 ? ? ? D . n D 4 65 THR 65 63 ? ? ? D . n D 4 66 THR 66 64 ? ? ? D . n D 4 67 THR 67 65 ? ? ? D . n D 4 68 THR 68 66 ? ? ? D . n D 4 69 THR 69 67 ? ? ? D . n D 4 70 THR 70 68 ? ? ? D . n D 4 71 PRO 71 69 ? ? ? D . n D 4 72 ASP 72 70 ? ? ? D . n D 4 73 GLY 73 71 ? ? ? D . n D 4 74 THR 74 72 ? ? ? D . n D 4 75 THR 75 73 ? ? ? D . n D 4 76 THR 76 74 ? ? ? D . n D 4 77 SER 77 75 ? ? ? D . n D 4 78 GLU 78 76 ? ? ? D . n D 4 79 GLU 79 77 ? ? ? D . n D 4 80 GLU 80 78 ? ? ? D . n D 4 81 GLU 81 79 ? ? ? D . n # loop_ _pdbx_nonpoly_scheme.asym_id _pdbx_nonpoly_scheme.entity_id _pdbx_nonpoly_scheme.mon_id _pdbx_nonpoly_scheme.ndb_seq_num _pdbx_nonpoly_scheme.pdb_seq_num _pdbx_nonpoly_scheme.auth_seq_num _pdbx_nonpoly_scheme.pdb_mon_id _pdbx_nonpoly_scheme.auth_mon_id _pdbx_nonpoly_scheme.pdb_strand_id _pdbx_nonpoly_scheme.pdb_ins_code E 5 EDO 1 701 5 EDO EDO B . F 5 EDO 1 702 6 EDO EDO B . G 6 NAG 1 2001 2001 NAG NAG A . H 6 NAG 2 2002 2002 NAG NAG A . I 5 EDO 1 2003 1 EDO EDO A . J 5 EDO 1 2004 2 EDO EDO A . K 5 EDO 1 2005 7 EDO EDO A . L 7 CYS 1 2006 1 CYS CYS A . M 8 DIO 1 2007 1764 DIO DIO A . N 5 EDO 1 201 3 EDO EDO C . O 5 EDO 1 101 4 EDO EDO D . P 9 HOH 1 801 50 HOH HOH B . P 9 HOH 2 802 262 HOH HOH B . P 9 HOH 3 803 16 HOH HOH B . P 9 HOH 4 804 100 HOH HOH B . P 9 HOH 5 805 30 HOH HOH B . P 9 HOH 6 806 112 HOH HOH B . P 9 HOH 7 807 116 HOH HOH B . P 9 HOH 8 808 111 HOH HOH B . P 9 HOH 9 809 38 HOH HOH B . P 9 HOH 10 810 176 HOH HOH B . P 9 HOH 11 811 68 HOH HOH B . P 9 HOH 12 812 218 HOH HOH B . P 9 HOH 13 813 222 HOH HOH B . P 9 HOH 14 814 246 HOH HOH B . P 9 HOH 15 815 257 HOH HOH B . P 9 HOH 16 816 152 HOH HOH B . P 9 HOH 17 817 9 HOH HOH B . P 9 HOH 18 818 33 HOH HOH B . P 9 HOH 19 819 256 HOH HOH B . P 9 HOH 20 820 123 HOH HOH B . P 9 HOH 21 821 248 HOH HOH B . P 9 HOH 22 822 247 HOH HOH B . P 9 HOH 23 823 72 HOH HOH B . P 9 HOH 24 824 162 HOH HOH B . P 9 HOH 25 825 195 HOH HOH B . P 9 HOH 26 826 95 HOH HOH B . P 9 HOH 27 827 219 HOH HOH B . P 9 HOH 28 828 146 HOH HOH B . P 9 HOH 29 829 128 HOH HOH B . P 9 HOH 30 830 115 HOH HOH B . P 9 HOH 31 831 106 HOH HOH B . P 9 HOH 32 832 159 HOH HOH B . P 9 HOH 33 833 44 HOH HOH B . P 9 HOH 34 834 217 HOH HOH B . P 9 HOH 35 835 122 HOH HOH B . P 9 HOH 36 836 155 HOH HOH B . P 9 HOH 37 837 78 HOH HOH B . P 9 HOH 38 838 85 HOH HOH B . P 9 HOH 39 839 41 HOH HOH B . P 9 HOH 40 840 239 HOH HOH B . P 9 HOH 41 841 170 HOH HOH B . P 9 HOH 42 842 149 HOH HOH B . P 9 HOH 43 843 52 HOH HOH B . P 9 HOH 44 844 45 HOH HOH B . P 9 HOH 45 845 213 HOH HOH B . P 9 HOH 46 846 24 HOH HOH B . P 9 HOH 47 847 258 HOH HOH B . P 9 HOH 48 848 192 HOH HOH B . P 9 HOH 49 849 207 HOH HOH B . P 9 HOH 50 850 168 HOH HOH B . P 9 HOH 51 851 43 HOH HOH B . P 9 HOH 52 852 153 HOH HOH B . P 9 HOH 53 853 2 HOH HOH B . P 9 HOH 54 854 147 HOH HOH B . P 9 HOH 55 855 119 HOH HOH B . P 9 HOH 56 856 49 HOH HOH B . P 9 HOH 57 857 42 HOH HOH B . P 9 HOH 58 858 157 HOH HOH B . P 9 HOH 59 859 208 HOH HOH B . P 9 HOH 60 860 89 HOH HOH B . P 9 HOH 61 861 199 HOH HOH B . P 9 HOH 62 862 177 HOH HOH B . Q 9 HOH 1 2101 215 HOH HOH A . Q 9 HOH 2 2102 224 HOH HOH A . Q 9 HOH 3 2103 200 HOH HOH A . Q 9 HOH 4 2104 241 HOH HOH A . Q 9 HOH 5 2105 193 HOH HOH A . Q 9 HOH 6 2106 227 HOH HOH A . Q 9 HOH 7 2107 40 HOH HOH A . Q 9 HOH 8 2108 261 HOH HOH A . Q 9 HOH 9 2109 243 HOH HOH A . Q 9 HOH 10 2110 228 HOH HOH A . Q 9 HOH 11 2111 23 HOH HOH A . Q 9 HOH 12 2112 226 HOH HOH A . Q 9 HOH 13 2113 216 HOH HOH A . Q 9 HOH 14 2114 102 HOH HOH A . Q 9 HOH 15 2115 79 HOH HOH A . Q 9 HOH 16 2116 138 HOH HOH A . Q 9 HOH 17 2117 113 HOH HOH A . Q 9 HOH 18 2118 27 HOH HOH A . Q 9 HOH 19 2119 110 HOH HOH A . Q 9 HOH 20 2120 229 HOH HOH A . Q 9 HOH 21 2121 211 HOH HOH A . Q 9 HOH 22 2122 15 HOH HOH A . Q 9 HOH 23 2123 194 HOH HOH A . Q 9 HOH 24 2124 47 HOH HOH A . Q 9 HOH 25 2125 28 HOH HOH A . Q 9 HOH 26 2126 65 HOH HOH A . Q 9 HOH 27 2127 231 HOH HOH A . Q 9 HOH 28 2128 51 HOH HOH A . Q 9 HOH 29 2129 225 HOH HOH A . Q 9 HOH 30 2130 263 HOH HOH A . Q 9 HOH 31 2131 221 HOH HOH A . Q 9 HOH 32 2132 181 HOH HOH A . Q 9 HOH 33 2133 252 HOH HOH A . Q 9 HOH 34 2134 233 HOH HOH A . Q 9 HOH 35 2135 39 HOH HOH A . Q 9 HOH 36 2136 259 HOH HOH A . Q 9 HOH 37 2137 245 HOH HOH A . Q 9 HOH 38 2138 3 HOH HOH A . Q 9 HOH 39 2139 240 HOH HOH A . Q 9 HOH 40 2140 25 HOH HOH A . Q 9 HOH 41 2141 34 HOH HOH A . Q 9 HOH 42 2142 18 HOH HOH A . Q 9 HOH 43 2143 108 HOH HOH A . Q 9 HOH 44 2144 84 HOH HOH A . Q 9 HOH 45 2145 62 HOH HOH A . Q 9 HOH 46 2146 55 HOH HOH A . Q 9 HOH 47 2147 135 HOH HOH A . Q 9 HOH 48 2148 158 HOH HOH A . Q 9 HOH 49 2149 143 HOH HOH A . Q 9 HOH 50 2150 93 HOH HOH A . Q 9 HOH 51 2151 255 HOH HOH A . Q 9 HOH 52 2152 264 HOH HOH A . Q 9 HOH 53 2153 223 HOH HOH A . Q 9 HOH 54 2154 238 HOH HOH A . Q 9 HOH 55 2155 83 HOH HOH A . Q 9 HOH 56 2156 73 HOH HOH A . Q 9 HOH 57 2157 105 HOH HOH A . Q 9 HOH 58 2158 67 HOH HOH A . Q 9 HOH 59 2159 232 HOH HOH A . Q 9 HOH 60 2160 127 HOH HOH A . Q 9 HOH 61 2161 48 HOH HOH A . Q 9 HOH 62 2162 4 HOH HOH A . Q 9 HOH 63 2163 31 HOH HOH A . Q 9 HOH 64 2164 190 HOH HOH A . Q 9 HOH 65 2165 130 HOH HOH A . Q 9 HOH 66 2166 214 HOH HOH A . Q 9 HOH 67 2167 13 HOH HOH A . Q 9 HOH 68 2168 198 HOH HOH A . Q 9 HOH 69 2169 103 HOH HOH A . Q 9 HOH 70 2170 242 HOH HOH A . Q 9 HOH 71 2171 171 HOH HOH A . Q 9 HOH 72 2172 132 HOH HOH A . Q 9 HOH 73 2173 63 HOH HOH A . Q 9 HOH 74 2174 244 HOH HOH A . Q 9 HOH 75 2175 254 HOH HOH A . Q 9 HOH 76 2176 56 HOH HOH A . Q 9 HOH 77 2177 125 HOH HOH A . Q 9 HOH 78 2178 91 HOH HOH A . Q 9 HOH 79 2179 260 HOH HOH A . Q 9 HOH 80 2180 69 HOH HOH A . Q 9 HOH 81 2181 253 HOH HOH A . Q 9 HOH 82 2182 175 HOH HOH A . Q 9 HOH 83 2183 36 HOH HOH A . Q 9 HOH 84 2184 235 HOH HOH A . Q 9 HOH 85 2185 186 HOH HOH A . Q 9 HOH 86 2186 250 HOH HOH A . Q 9 HOH 87 2187 163 HOH HOH A . Q 9 HOH 88 2188 203 HOH HOH A . Q 9 HOH 89 2189 26 HOH HOH A . Q 9 HOH 90 2190 92 HOH HOH A . Q 9 HOH 91 2191 251 HOH HOH A . Q 9 HOH 92 2192 76 HOH HOH A . Q 9 HOH 93 2193 249 HOH HOH A . Q 9 HOH 94 2194 77 HOH HOH A . Q 9 HOH 95 2195 109 HOH HOH A . Q 9 HOH 96 2196 236 HOH HOH A . Q 9 HOH 97 2197 188 HOH HOH A . Q 9 HOH 98 2198 230 HOH HOH A . Q 9 HOH 99 2199 19 HOH HOH A . Q 9 HOH 100 2200 148 HOH HOH A . Q 9 HOH 101 2201 117 HOH HOH A . Q 9 HOH 102 2202 210 HOH HOH A . Q 9 HOH 103 2203 234 HOH HOH A . Q 9 HOH 104 2204 237 HOH HOH A . Q 9 HOH 105 2205 64 HOH HOH A . R 9 HOH 1 301 114 HOH HOH C . R 9 HOH 2 302 124 HOH HOH C . R 9 HOH 3 303 88 HOH HOH C . S 9 HOH 1 201 37 HOH HOH D . S 9 HOH 2 202 220 HOH HOH D . S 9 HOH 3 203 129 HOH HOH D . S 9 HOH 4 204 133 HOH HOH D . S 9 HOH 5 205 57 HOH HOH D . # _pdbx_struct_assembly.id 1 _pdbx_struct_assembly.details author_and_software_defined_assembly _pdbx_struct_assembly.method_details PISA _pdbx_struct_assembly.oligomeric_details tetrameric _pdbx_struct_assembly.oligomeric_count 4 # _pdbx_struct_assembly_gen.assembly_id 1 _pdbx_struct_assembly_gen.oper_expression 1 _pdbx_struct_assembly_gen.asym_id_list A,B,C,D,E,F,G,H,I,J,K,L,M,N,O,P,Q,R,S # loop_ _pdbx_struct_assembly_prop.biol_id _pdbx_struct_assembly_prop.type _pdbx_struct_assembly_prop.value _pdbx_struct_assembly_prop.details 1 'ABSA (A^2)' 15050 ? 1 MORE -23 ? 1 'SSA (A^2)' 82560 ? # _pdbx_struct_oper_list.id 1 _pdbx_struct_oper_list.type 'identity operation' _pdbx_struct_oper_list.name 1_555 _pdbx_struct_oper_list.symmetry_operation x,y,z _pdbx_struct_oper_list.matrix[1][1] 1.0000000000 _pdbx_struct_oper_list.matrix[1][2] 0.0000000000 _pdbx_struct_oper_list.matrix[1][3] 0.0000000000 _pdbx_struct_oper_list.vector[1] 0.0000000000 _pdbx_struct_oper_list.matrix[2][1] 0.0000000000 _pdbx_struct_oper_list.matrix[2][2] 1.0000000000 _pdbx_struct_oper_list.matrix[2][3] 0.0000000000 _pdbx_struct_oper_list.vector[2] 0.0000000000 _pdbx_struct_oper_list.matrix[3][1] 0.0000000000 _pdbx_struct_oper_list.matrix[3][2] 0.0000000000 _pdbx_struct_oper_list.matrix[3][3] 1.0000000000 _pdbx_struct_oper_list.vector[3] 0.0000000000 # loop_ _pdbx_audit_revision_history.ordinal _pdbx_audit_revision_history.data_content_type _pdbx_audit_revision_history.major_revision _pdbx_audit_revision_history.minor_revision _pdbx_audit_revision_history.revision_date 1 'Structure model' 1 0 2016-03-30 2 'Structure model' 1 1 2016-04-06 3 'Structure model' 1 2 2016-05-11 # _pdbx_audit_revision_details.ordinal 1 _pdbx_audit_revision_details.revision_ordinal 1 _pdbx_audit_revision_details.data_content_type 'Structure model' _pdbx_audit_revision_details.provider repository _pdbx_audit_revision_details.type 'Initial release' _pdbx_audit_revision_details.description ? # loop_ _pdbx_audit_revision_group.ordinal _pdbx_audit_revision_group.revision_ordinal _pdbx_audit_revision_group.data_content_type _pdbx_audit_revision_group.group 1 2 'Structure model' 'Database references' 2 3 'Structure model' 'Database references' # loop_ _pdbx_refine_tls.id _pdbx_refine_tls.pdbx_refine_id _pdbx_refine_tls.details _pdbx_refine_tls.method _pdbx_refine_tls.origin_x _pdbx_refine_tls.origin_y _pdbx_refine_tls.origin_z _pdbx_refine_tls.T[1][1] _pdbx_refine_tls.T[1][1]_esd _pdbx_refine_tls.T[1][2] _pdbx_refine_tls.T[1][2]_esd _pdbx_refine_tls.T[1][3] _pdbx_refine_tls.T[1][3]_esd _pdbx_refine_tls.T[2][2] _pdbx_refine_tls.T[2][2]_esd _pdbx_refine_tls.T[2][3] _pdbx_refine_tls.T[2][3]_esd _pdbx_refine_tls.T[3][3] _pdbx_refine_tls.T[3][3]_esd _pdbx_refine_tls.L[1][1] _pdbx_refine_tls.L[1][1]_esd _pdbx_refine_tls.L[1][2] _pdbx_refine_tls.L[1][2]_esd _pdbx_refine_tls.L[1][3] _pdbx_refine_tls.L[1][3]_esd _pdbx_refine_tls.L[2][2] _pdbx_refine_tls.L[2][2]_esd _pdbx_refine_tls.L[2][3] _pdbx_refine_tls.L[2][3]_esd _pdbx_refine_tls.L[3][3] _pdbx_refine_tls.L[3][3]_esd _pdbx_refine_tls.S[1][1] _pdbx_refine_tls.S[1][1]_esd _pdbx_refine_tls.S[1][2] _pdbx_refine_tls.S[1][2]_esd _pdbx_refine_tls.S[1][3] _pdbx_refine_tls.S[1][3]_esd _pdbx_refine_tls.S[2][1] _pdbx_refine_tls.S[2][1]_esd _pdbx_refine_tls.S[2][2] _pdbx_refine_tls.S[2][2]_esd _pdbx_refine_tls.S[2][3] _pdbx_refine_tls.S[2][3]_esd _pdbx_refine_tls.S[3][1] _pdbx_refine_tls.S[3][1]_esd _pdbx_refine_tls.S[3][2] _pdbx_refine_tls.S[3][2]_esd _pdbx_refine_tls.S[3][3] _pdbx_refine_tls.S[3][3]_esd 1 'X-RAY DIFFRACTION' ? refined -6.2064 -27.0790 -4.9469 0.4381 ? 0.0284 ? 0.0015 ? 0.5473 ? -0.0404 ? 0.4733 ? 0.7887 ? -0.2289 ? 0.9149 ? 1.2524 ? -0.7903 ? 2.6405 ? 0.0814 ? 0.2536 ? -0.2186 ? -0.3461 ? 0.0688 ? -0.0606 ? 0.3214 ? 0.4488 ? -0.1178 ? 2 'X-RAY DIFFRACTION' ? refined -11.9263 -44.2025 25.1354 0.4030 ? 0.0723 ? -0.0990 ? 0.5253 ? -0.0926 ? 0.6137 ? 1.2335 ? 0.8005 ? -0.7805 ? 1.1960 ? -1.0627 ? 1.6856 ? -0.0896 ? 0.3987 ? -0.4069 ? -0.2648 ? 0.0098 ? -0.0906 ? 0.2461 ? -0.2154 ? 0.0503 ? 3 'X-RAY DIFFRACTION' ? refined -9.3942 -28.4120 52.4757 0.3377 ? 0.0574 ? 0.0542 ? 0.3365 ? 0.0412 ? 0.3230 ? 0.6477 ? -0.2482 ? 0.0133 ? 0.8265 ? -0.0091 ? 0.8857 ? 0.0297 ? 0.0060 ? 0.0331 ? 0.0586 ? -0.0178 ? 0.0379 ? -0.0343 ? 0.0154 ? -0.0069 ? 4 'X-RAY DIFFRACTION' ? refined 13.9831 -51.8251 82.0856 1.1169 ? 0.3635 ? 0.0076 ? 1.2450 ? 0.1539 ? 0.7013 ? 3.1819 ? -0.3174 ? 1.3143 ? 4.6685 ? -2.3168 ? 4.8507 ? -0.5084 ? -1.1286 ? -0.2366 ? 1.2465 ? 0.3473 ? -0.2270 ? -0.3877 ? 0.1057 ? 0.0562 ? 5 'X-RAY DIFFRACTION' ? refined -15.3490 -16.2097 90.0324 0.8560 ? 0.1772 ? 0.1443 ? 0.5958 ? -0.0283 ? 0.4124 ? 6.4102 ? 1.4990 ? -0.2378 ? 2.5160 ? -0.4040 ? 5.1795 ? -0.0012 ? -0.7794 ? -0.1378 ? 0.8274 ? -0.0457 ? 0.0077 ? 0.0465 ? 0.4588 ? 0.0926 ? 6 'X-RAY DIFFRACTION' ? refined -30.5321 -12.2594 20.1799 0.4732 ? 0.2227 ? -0.0970 ? 0.6966 ? 0.0763 ? 0.5215 ? 0.5755 ? 1.3688 ? 0.1303 ? 4.7349 ? -2.2385 ? 6.3148 ? -0.0207 ? 0.1933 ? 0.1239 ? -0.0342 ? 0.4162 ? 0.7578 ? -0.2710 ? -1.2503 ? -0.3387 ? # loop_ _pdbx_refine_tls_group.id _pdbx_refine_tls_group.pdbx_refine_id _pdbx_refine_tls_group.refine_tls_id _pdbx_refine_tls_group.beg_label_asym_id _pdbx_refine_tls_group.beg_label_seq_id _pdbx_refine_tls_group.beg_auth_asym_id _pdbx_refine_tls_group.beg_auth_seq_id _pdbx_refine_tls_group.end_label_asym_id _pdbx_refine_tls_group.end_label_seq_id _pdbx_refine_tls_group.end_auth_asym_id _pdbx_refine_tls_group.end_auth_seq_id _pdbx_refine_tls_group.selection _pdbx_refine_tls_group.selection_details 1 'X-RAY DIFFRACTION' 1 ? ? ? ? ? ? ? ? ? ;chain 'B' and (resid 20 through 674 ) ; 2 'X-RAY DIFFRACTION' 2 ? ? ? ? ? ? ? ? ? ;chain 'A' and (resid 679 through 819 ) ; 3 'X-RAY DIFFRACTION' 3 ? ? ? ? ? ? ? ? ? ;chain 'A' and (resid 820 through 1514 ) ; 4 'X-RAY DIFFRACTION' 4 ? ? ? ? ? ? ? ? ? ;chain 'A' and (resid 1515 through 1676 ) ; 5 'X-RAY DIFFRACTION' 5 ? ? ? ? ? ? ? ? ? ;chain 'C' and (resid 23 through 168 ) ; 6 'X-RAY DIFFRACTION' 6 ? ? ? ? ? ? ? ? ? ;chain 'D' and (resid 14 through 59 ) ; # loop_ _software.citation_id _software.classification _software.compiler_name _software.compiler_version _software.contact_author _software.contact_author_email _software.date _software.description _software.dependencies _software.hardware _software.language _software.location _software.mods _software.name _software.os _software.os_version _software.type _software.version _software.pdbx_ordinal ? refinement ? ? ? ? ? ? ? ? ? ? ? PHENIX ? ? ? '(1.10_2155: ???)' 1 ? 'data reduction' ? ? ? ? ? ? ? ? ? ? ? xia2 ? ? ? . 2 ? 'data scaling' ? ? ? ? ? ? ? ? ? ? ? Aimless ? ? ? . 3 ? phasing ? ? ? ? ? ? ? ? ? ? ? PHASER ? ? ? . 4 # _pdbx_validate_close_contact.id 1 _pdbx_validate_close_contact.PDB_model_num 1 _pdbx_validate_close_contact.auth_atom_id_1 O _pdbx_validate_close_contact.auth_asym_id_1 B _pdbx_validate_close_contact.auth_comp_id_1 ASN _pdbx_validate_close_contact.auth_seq_id_1 193 _pdbx_validate_close_contact.PDB_ins_code_1 ? _pdbx_validate_close_contact.label_alt_id_1 ? _pdbx_validate_close_contact.auth_atom_id_2 OG _pdbx_validate_close_contact.auth_asym_id_2 A _pdbx_validate_close_contact.auth_comp_id_2 SER _pdbx_validate_close_contact.auth_seq_id_2 1058 _pdbx_validate_close_contact.PDB_ins_code_2 ? _pdbx_validate_close_contact.label_alt_id_2 ? _pdbx_validate_close_contact.dist 2.14 # _pdbx_validate_rmsd_angle.id 1 _pdbx_validate_rmsd_angle.PDB_model_num 1 _pdbx_validate_rmsd_angle.auth_atom_id_1 CA _pdbx_validate_rmsd_angle.auth_asym_id_1 A _pdbx_validate_rmsd_angle.auth_comp_id_1 CYS _pdbx_validate_rmsd_angle.auth_seq_id_1 1520 _pdbx_validate_rmsd_angle.PDB_ins_code_1 ? _pdbx_validate_rmsd_angle.label_alt_id_1 ? _pdbx_validate_rmsd_angle.auth_atom_id_2 CB _pdbx_validate_rmsd_angle.auth_asym_id_2 A _pdbx_validate_rmsd_angle.auth_comp_id_2 CYS _pdbx_validate_rmsd_angle.auth_seq_id_2 1520 _pdbx_validate_rmsd_angle.PDB_ins_code_2 ? _pdbx_validate_rmsd_angle.label_alt_id_2 ? _pdbx_validate_rmsd_angle.auth_atom_id_3 SG _pdbx_validate_rmsd_angle.auth_asym_id_3 A _pdbx_validate_rmsd_angle.auth_comp_id_3 CYS _pdbx_validate_rmsd_angle.auth_seq_id_3 1520 _pdbx_validate_rmsd_angle.PDB_ins_code_3 ? _pdbx_validate_rmsd_angle.label_alt_id_3 ? _pdbx_validate_rmsd_angle.angle_value 121.35 _pdbx_validate_rmsd_angle.angle_target_value 114.20 _pdbx_validate_rmsd_angle.angle_deviation 7.15 _pdbx_validate_rmsd_angle.angle_standard_deviation 1.10 _pdbx_validate_rmsd_angle.linker_flag N # loop_ _pdbx_validate_torsion.id _pdbx_validate_torsion.PDB_model_num _pdbx_validate_torsion.auth_comp_id _pdbx_validate_torsion.auth_asym_id _pdbx_validate_torsion.auth_seq_id _pdbx_validate_torsion.PDB_ins_code _pdbx_validate_torsion.label_alt_id _pdbx_validate_torsion.phi _pdbx_validate_torsion.psi 1 1 ASN B 97 ? ? -119.03 71.24 2 1 ASP B 138 ? ? 70.22 -2.22 3 1 ASP B 208 ? ? 74.57 -40.12 4 1 TYR B 256 ? ? -93.99 31.57 5 1 ALA B 286 ? ? -98.14 33.99 6 1 MET B 287 ? ? -80.17 49.18 7 1 SER B 311 ? ? 63.46 -127.75 8 1 TYR B 312 ? ? 62.36 -67.49 9 1 TYR B 313 ? ? 65.49 -55.01 10 1 LEU B 318 ? ? 60.73 -8.22 11 1 ASN B 320 ? ? 66.37 -1.06 12 1 LEU B 361 ? ? -82.00 45.63 13 1 GLN B 399 ? ? 59.12 14.15 14 1 ASP B 468 ? ? -174.28 136.05 15 1 TRP B 469 ? ? -106.72 59.55 16 1 THR B 470 ? ? 58.36 -126.26 17 1 GLU B 480 ? ? -77.91 -158.69 18 1 SER B 490 ? ? 179.45 163.62 19 1 ASP B 520 ? ? -113.46 56.87 20 1 ALA B 521 ? ? 177.69 168.36 21 1 GLN B 550 ? ? 60.42 -102.02 22 1 GLU B 628 ? ? -87.52 35.93 23 1 VAL A 760 ? ? -107.52 -94.48 24 1 ARG A 782 ? ? 66.97 -18.97 25 1 SER A 880 ? ? -156.41 89.14 26 1 SER A 881 ? ? 54.75 -161.12 27 1 SER A 892 ? ? -161.30 -148.92 28 1 ASP A 966 ? ? -89.39 42.96 29 1 GLN A 994 ? ? -88.85 30.99 30 1 SER A 1036 ? ? -95.28 -156.55 31 1 PHE A 1284 ? ? -124.47 -131.01 32 1 SER A 1286 ? ? -129.59 -154.77 33 1 SER A 1310 ? ? -161.91 102.69 34 1 HIS A 1319 ? ? -101.43 54.17 35 1 LEU A 1323 ? ? -64.83 -71.90 36 1 LEU A 1334 ? ? -101.82 44.82 37 1 ASN A 1343 ? ? -90.30 35.80 38 1 GLU A 1387 ? ? -93.78 -84.37 39 1 SER A 1420 ? ? -96.83 -158.55 40 1 ASP A 1447 ? ? -90.82 31.56 41 1 GLU A 1521 ? ? 60.22 82.55 42 1 ALA A 1545 ? ? 60.83 -38.24 43 1 ALA A 1560 ? ? -167.98 110.13 44 1 ASN A 1572 ? ? 59.20 -101.08 45 1 LEU A 1582 ? ? -89.79 -77.62 46 1 GLU A 1589 ? ? -108.78 -138.54 47 1 THR A 1605 ? ? -77.07 48.84 48 1 GLU A 1623 ? ? 62.83 176.16 49 1 ASN A 1630 ? ? 54.84 -98.46 50 1 ASP A 1640 ? ? -125.40 -167.08 51 1 ASP A 1651 ? ? -81.69 -158.94 52 1 THR A 1652 ? ? -141.11 19.68 53 1 THR A 1653 ? ? -93.85 31.10 54 1 CYS A 1654 ? ? -92.14 31.33 55 1 SER A 1655 ? ? 57.68 -115.70 56 1 SER C 22 ? ? 58.18 -169.46 57 1 SER C 27 ? ? 51.28 82.03 58 1 ASP C 67 ? ? 57.06 -142.54 59 1 LYS C 125 ? ? -170.06 -167.83 60 1 GLU D 15 ? ? -112.97 -104.22 61 1 GLU D 16 ? ? -99.83 30.55 # _pdbx_unobs_or_zero_occ_atoms.id 1 _pdbx_unobs_or_zero_occ_atoms.PDB_model_num 1 _pdbx_unobs_or_zero_occ_atoms.polymer_flag N _pdbx_unobs_or_zero_occ_atoms.occupancy_flag 1 _pdbx_unobs_or_zero_occ_atoms.auth_asym_id A _pdbx_unobs_or_zero_occ_atoms.auth_comp_id CYS _pdbx_unobs_or_zero_occ_atoms.auth_seq_id 2006 _pdbx_unobs_or_zero_occ_atoms.PDB_ins_code ? _pdbx_unobs_or_zero_occ_atoms.auth_atom_id OXT _pdbx_unobs_or_zero_occ_atoms.label_alt_id ? _pdbx_unobs_or_zero_occ_atoms.label_asym_id L _pdbx_unobs_or_zero_occ_atoms.label_comp_id CYS _pdbx_unobs_or_zero_occ_atoms.label_seq_id 1 _pdbx_unobs_or_zero_occ_atoms.label_atom_id OXT # loop_ _pdbx_unobs_or_zero_occ_residues.id _pdbx_unobs_or_zero_occ_residues.PDB_model_num _pdbx_unobs_or_zero_occ_residues.polymer_flag _pdbx_unobs_or_zero_occ_residues.occupancy_flag _pdbx_unobs_or_zero_occ_residues.auth_asym_id _pdbx_unobs_or_zero_occ_residues.auth_comp_id _pdbx_unobs_or_zero_occ_residues.auth_seq_id _pdbx_unobs_or_zero_occ_residues.PDB_ins_code _pdbx_unobs_or_zero_occ_residues.label_asym_id _pdbx_unobs_or_zero_occ_residues.label_comp_id _pdbx_unobs_or_zero_occ_residues.label_seq_id 1 1 Y 1 B GLN 19 ? A GLN 1 2 1 Y 1 B VAL 612 ? A VAL 594 3 1 Y 1 B GLN 613 ? A GLN 595 4 1 Y 1 B ARG 614 ? A ARG 596 5 1 Y 1 B GLY 615 ? A GLY 597 6 1 Y 1 B ALA 616 ? A ALA 598 7 1 Y 1 B LYS 617 ? A LYS 599 8 1 Y 1 B LYS 618 ? A LYS 600 9 1 Y 1 B PRO 619 ? A PRO 601 10 1 Y 1 A ASP 874 ? B ASP 196 11 1 Y 1 A HIS 875 ? B HIS 197 12 1 Y 1 A GLN 876 ? B GLN 198 13 1 Y 1 A GLY 877 ? B GLY 199 14 1 Y 1 A THR 878 ? B THR 200 15 1 Y 1 A SER 1389 ? B SER 711 16 1 Y 1 A HIS 1390 ? B HIS 712 17 1 Y 1 A TYR 1391 ? B TYR 713 18 1 Y 1 A ARG 1392 ? B ARG 714 19 1 Y 1 A GLY 1393 ? B GLY 715 20 1 Y 1 A TYR 1394 ? B TYR 716 21 1 Y 1 A GLY 1395 ? B GLY 717 22 1 Y 1 A ASN 1396 ? B ASN 718 23 1 Y 1 A SER 1397 ? B SER 719 24 1 Y 1 A ASP 1398 ? B ASP 720 25 1 Y 1 A TYR 1399 ? B TYR 721 26 1 Y 1 C MET 4 ? C MET 1 27 1 Y 1 C ALA 5 ? C ALA 2 28 1 Y 1 C SER 6 ? C SER 3 29 1 Y 1 C HIS 7 ? C HIS 4 30 1 Y 1 C HIS 8 ? C HIS 5 31 1 Y 1 C HIS 9 ? C HIS 6 32 1 Y 1 C HIS 10 ? C HIS 7 33 1 Y 1 C HIS 11 ? C HIS 8 34 1 Y 1 C HIS 12 ? C HIS 9 35 1 Y 1 C HIS 13 ? C HIS 10 36 1 Y 1 C HIS 14 ? C HIS 11 37 1 Y 1 C HIS 15 ? C HIS 12 38 1 Y 1 C HIS 16 ? C HIS 13 39 1 Y 1 C SER 17 ? C SER 14 40 1 Y 1 C GLY 18 ? C GLY 15 41 1 Y 1 C ASP 19 ? C ASP 16 42 1 Y 1 C SER 20 ? C SER 17 43 1 Y 1 D GLY -1 ? D GLY 1 44 1 Y 1 D PRO 0 ? D PRO 2 45 1 Y 1 D MET 1 ? D MET 3 46 1 Y 1 D SER 2 ? D SER 4 47 1 Y 1 D GLY 3 ? D GLY 5 48 1 Y 1 D GLU 4 ? D GLU 6 49 1 Y 1 D SER 5 ? D SER 7 50 1 Y 1 D GLN 6 ? D GLN 8 51 1 Y 1 D SER 7 ? D SER 9 52 1 Y 1 D ILE 8 ? D ILE 10 53 1 Y 1 D GLN 9 ? D GLN 11 54 1 Y 1 D ARG 10 ? D ARG 12 55 1 Y 1 D LYS 11 ? D LYS 13 56 1 Y 1 D GLY 12 ? D GLY 14 57 1 Y 1 D GLN 13 ? D GLN 15 58 1 Y 1 D SER 61 ? D SER 63 59 1 Y 1 D THR 62 ? D THR 64 60 1 Y 1 D THR 63 ? D THR 65 61 1 Y 1 D THR 64 ? D THR 66 62 1 Y 1 D THR 65 ? D THR 67 63 1 Y 1 D THR 66 ? D THR 68 64 1 Y 1 D THR 67 ? D THR 69 65 1 Y 1 D THR 68 ? D THR 70 66 1 Y 1 D PRO 69 ? D PRO 71 67 1 Y 1 D ASP 70 ? D ASP 72 68 1 Y 1 D GLY 71 ? D GLY 73 69 1 Y 1 D THR 72 ? D THR 74 70 1 Y 1 D THR 73 ? D THR 75 71 1 Y 1 D THR 74 ? D THR 76 72 1 Y 1 D SER 75 ? D SER 77 73 1 Y 1 D GLU 76 ? D GLU 78 74 1 Y 1 D GLU 77 ? D GLU 79 75 1 Y 1 D GLU 78 ? D GLU 80 76 1 Y 1 D GLU 79 ? D GLU 81 # loop_ _pdbx_audit_support.funding_organization _pdbx_audit_support.country _pdbx_audit_support.grant_number _pdbx_audit_support.ordinal 'Wellcome Trust' 'United Kingdom' 100298 1 'Netherlands Organisation for Scientific Research' Netherlands 825.11.030 2 # loop_ _pdbx_entity_nonpoly.entity_id _pdbx_entity_nonpoly.name _pdbx_entity_nonpoly.comp_id 5 1,2-ETHANEDIOL EDO 6 N-ACETYL-D-GLUCOSAMINE NAG 7 CYSTEINE CYS 8 '1,4-DIETHYLENE DIOXIDE' DIO 9 water HOH #