data_4CA6 # _entry.id 4CA6 # _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 4CA6 PDBE EBI-58645 WWPDB D_1290058645 # loop_ _pdbx_database_related.db_name _pdbx_database_related.db_id _pdbx_database_related.content_type _pdbx_database_related.details PDB 4CA5 unspecified 'HUMAN ANGIOTENSIN CONVERTING ENZYME IN COMPLEX WITH A PHOSPHINIC TRIPEPTIDE FI' PDB 4CA7 unspecified 'DROSOPHILA ANGIOTENSIN CONVERTING ENZYME (ANCE) IN COMPLEX WITH A PHOSPHINIC TRIPEPTIDE FI' PDB 4CA8 unspecified 'DROSOPHILA ANGIOTENSIN CONVERTING ENZYME (ANCE) IN COMPLEX WITH A PHOSPHINIC TRIPEPTIDE FII' # _pdbx_database_status.status_code REL _pdbx_database_status.entry_id 4CA6 _pdbx_database_status.deposit_site PDBE _pdbx_database_status.process_site PDBE _pdbx_database_status.SG_entry . _pdbx_database_status.recvd_initial_deposition_date 2013-10-07 _pdbx_database_status.pdb_format_compatible Y _pdbx_database_status.status_code_sf ? _pdbx_database_status.status_code_mr ? _pdbx_database_status.status_code_cs ? _pdbx_database_status.methods_development_category ? # loop_ _audit_author.name _audit_author.pdbx_ordinal 'Masuyer, G.' 1 'Akif, M.' 2 'Czarny, B.' 3 'Beau, F.' 4 'Schwager, S.L.U.' 5 'Sturrock, E.D.' 6 'Isaac, R.E.' 7 'Dive, V.' 8 'Acharya, K.R.' 9 # _citation.id primary _citation.title 'Crystal Structures of Highly Specific Phosphinic Tripeptide Enantiomers in Complex with the Angiotensin-I Converting Enzyme.' _citation.journal_abbrev 'FEBS J.' _citation.journal_volume 281 _citation.page_first 943 _citation.page_last ? _citation.year 2014 _citation.journal_id_ASTM ? _citation.country UK _citation.journal_id_ISSN 1742-464X _citation.journal_id_CSD ? _citation.book_publisher ? _citation.pdbx_database_id_PubMed 24289879 _citation.pdbx_database_id_DOI 10.1111/FEBS.12660 # loop_ _citation_author.citation_id _citation_author.name _citation_author.ordinal primary 'Masuyer, G.' 1 primary 'Akif, M.' 2 primary 'Czarny, B.' 3 primary 'Beau, F.' 4 primary 'Schwager, S.L.' 5 primary 'Sturrock, E.D.' 6 primary 'Isaac, R.E.' 7 primary 'Dive, V.' 8 primary 'Acharya, K.R.' 9 # _cell.entry_id 4CA6 _cell.length_a 72.925 _cell.length_b 76.643 _cell.length_c 82.545 _cell.angle_alpha 88.62 _cell.angle_beta 64.22 _cell.angle_gamma 75.58 _cell.Z_PDB 2 _cell.pdbx_unique_axis ? # _symmetry.entry_id 4CA6 _symmetry.space_group_name_H-M 'P 1' _symmetry.pdbx_full_space_group_name_H-M ? _symmetry.cell_setting ? _symmetry.Int_Tables_number 1 # 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 man 'ANGIOTENSIN-CONVERTING ENZYME N-DOMAIN' 70423.148 2 3.4.15.1 YES 'RESIDUES 30-639' ? 2 non-polymer syn 'ZINC ION' 65.409 2 ? ? ? ? 3 non-polymer syn 'CHLORIDE ION' 35.453 2 ? ? ? ? 4 non-polymer man ALPHA-L-FUCOSE 164.156 3 ? ? ? ? 5 non-polymer man N-ACETYL-D-GLUCOSAMINE 221.208 10 ? ? ? ? 6 non-polymer man BETA-D-MANNOSE 180.156 2 ? ? ? ? 7 non-polymer syn 'DI(HYDROXYETHYL)ETHER' 106.120 6 ? ? ? ? 8 non-polymer syn 'TETRAETHYLENE GLYCOL' 194.226 1 ? ? ? ? 9 non-polymer syn ;N-{(2S)-3-[(S)-[(1R)-1-{[(benzyloxy)carbonyl]amino}-2-phenylethyl](hydroxy)phosphoryl]-2-[(3-phenyl-1,2-oxazol-5-yl)methyl]propanoyl}-L-tyrosine ; 711.697 2 ? ? ? ? 10 non-polymer syn 'HEXAETHYLENE GLYCOL' 282.331 1 ? ? ? ? 11 water nat water 18.015 594 ? ? ? ? # _entity_poly.entity_id 1 _entity_poly.type 'polypeptide(L)' _entity_poly.nstd_linkage no _entity_poly.nstd_monomer no _entity_poly.pdbx_seq_one_letter_code ;LDPGLQPGQFSADEAGAQLFAQSYQSSAEQVLFQSVAASWAHDTNITAENARRQEEAALLSQEFAEAWGQKAKELYEPIW QQFTDPQLRRIIGAVRTLGSANLPLAKRQQYNALLSQMSRIYSTAKVCLPNKTATCWSLDPDLTNILASSRSYAMLLFAW EGWHNAAGIPLKPLYEDFTALSNEAYKQDGFTDTGAYWRSWYNSPTFEDDLEHLYQQLEPLYLNLHAFVRRALHRRYGDR YINLRGPIPAHLLGDMWAQSWENIYDMVVPFPDKPNLDVTSTMLQQGWQATHMFRVAEEFFTSLELSPMPPEFWEGSMLE KPADGREVVCHASAWDFYNRKDFRIKQCTRVTMDQLSTVHHEMGHIQYYLQYKDLPVSLRRGANPGFHEAIGDVLALSVS TPEHLHKIGLLDRVTNDTESDINYLLKMALEKIAFLPFGYLVDQWRWGVFSGRTPPSRYNFDWWYLRTKYQGICPPVTRN ETHFDAGAKFHVPNVTPYIRYFVSFVLQFQFHEALCKEAGYEGPLHQCDIYRSTKAGAKLRKVLRAGSSRPWQEVLKDMV GLDALDAQPLLKYFQLVTQWLQEQNQQNGEVLGWPEYQWHPPLPDNYPEG ; _entity_poly.pdbx_seq_one_letter_code_can ;LDPGLQPGQFSADEAGAQLFAQSYQSSAEQVLFQSVAASWAHDTNITAENARRQEEAALLSQEFAEAWGQKAKELYEPIW QQFTDPQLRRIIGAVRTLGSANLPLAKRQQYNALLSQMSRIYSTAKVCLPNKTATCWSLDPDLTNILASSRSYAMLLFAW EGWHNAAGIPLKPLYEDFTALSNEAYKQDGFTDTGAYWRSWYNSPTFEDDLEHLYQQLEPLYLNLHAFVRRALHRRYGDR YINLRGPIPAHLLGDMWAQSWENIYDMVVPFPDKPNLDVTSTMLQQGWQATHMFRVAEEFFTSLELSPMPPEFWEGSMLE KPADGREVVCHASAWDFYNRKDFRIKQCTRVTMDQLSTVHHEMGHIQYYLQYKDLPVSLRRGANPGFHEAIGDVLALSVS TPEHLHKIGLLDRVTNDTESDINYLLKMALEKIAFLPFGYLVDQWRWGVFSGRTPPSRYNFDWWYLRTKYQGICPPVTRN ETHFDAGAKFHVPNVTPYIRYFVSFVLQFQFHEALCKEAGYEGPLHQCDIYRSTKAGAKLRKVLRAGSSRPWQEVLKDMV GLDALDAQPLLKYFQLVTQWLQEQNQQNGEVLGWPEYQWHPPLPDNYPEG ; _entity_poly.pdbx_strand_id A,B _entity_poly.pdbx_target_identifier ? # loop_ _entity_poly_seq.entity_id _entity_poly_seq.num _entity_poly_seq.mon_id _entity_poly_seq.hetero 1 1 LEU n 1 2 ASP n 1 3 PRO n 1 4 GLY n 1 5 LEU n 1 6 GLN n 1 7 PRO n 1 8 GLY n 1 9 GLN n 1 10 PHE n 1 11 SER n 1 12 ALA n 1 13 ASP n 1 14 GLU n 1 15 ALA n 1 16 GLY n 1 17 ALA n 1 18 GLN n 1 19 LEU n 1 20 PHE n 1 21 ALA n 1 22 GLN n 1 23 SER n 1 24 TYR n 1 25 GLN n 1 26 SER n 1 27 SER n 1 28 ALA n 1 29 GLU n 1 30 GLN n 1 31 VAL n 1 32 LEU n 1 33 PHE n 1 34 GLN n 1 35 SER n 1 36 VAL n 1 37 ALA n 1 38 ALA n 1 39 SER n 1 40 TRP n 1 41 ALA n 1 42 HIS n 1 43 ASP n 1 44 THR n 1 45 ASN n 1 46 ILE n 1 47 THR n 1 48 ALA n 1 49 GLU n 1 50 ASN n 1 51 ALA n 1 52 ARG n 1 53 ARG n 1 54 GLN n 1 55 GLU n 1 56 GLU n 1 57 ALA n 1 58 ALA n 1 59 LEU n 1 60 LEU n 1 61 SER n 1 62 GLN n 1 63 GLU n 1 64 PHE n 1 65 ALA n 1 66 GLU n 1 67 ALA n 1 68 TRP n 1 69 GLY n 1 70 GLN n 1 71 LYS n 1 72 ALA n 1 73 LYS n 1 74 GLU n 1 75 LEU n 1 76 TYR n 1 77 GLU n 1 78 PRO n 1 79 ILE n 1 80 TRP n 1 81 GLN n 1 82 GLN n 1 83 PHE n 1 84 THR n 1 85 ASP n 1 86 PRO n 1 87 GLN n 1 88 LEU n 1 89 ARG n 1 90 ARG n 1 91 ILE n 1 92 ILE n 1 93 GLY n 1 94 ALA n 1 95 VAL n 1 96 ARG n 1 97 THR n 1 98 LEU n 1 99 GLY n 1 100 SER n 1 101 ALA n 1 102 ASN n 1 103 LEU n 1 104 PRO n 1 105 LEU n 1 106 ALA n 1 107 LYS n 1 108 ARG n 1 109 GLN n 1 110 GLN n 1 111 TYR n 1 112 ASN n 1 113 ALA n 1 114 LEU n 1 115 LEU n 1 116 SER n 1 117 GLN n 1 118 MET n 1 119 SER n 1 120 ARG n 1 121 ILE n 1 122 TYR n 1 123 SER n 1 124 THR n 1 125 ALA n 1 126 LYS n 1 127 VAL n 1 128 CYS n 1 129 LEU n 1 130 PRO n 1 131 ASN n 1 132 LYS n 1 133 THR n 1 134 ALA n 1 135 THR n 1 136 CYS n 1 137 TRP n 1 138 SER n 1 139 LEU n 1 140 ASP n 1 141 PRO n 1 142 ASP n 1 143 LEU n 1 144 THR n 1 145 ASN n 1 146 ILE n 1 147 LEU n 1 148 ALA n 1 149 SER n 1 150 SER n 1 151 ARG n 1 152 SER n 1 153 TYR n 1 154 ALA n 1 155 MET n 1 156 LEU n 1 157 LEU n 1 158 PHE n 1 159 ALA n 1 160 TRP n 1 161 GLU n 1 162 GLY n 1 163 TRP n 1 164 HIS n 1 165 ASN n 1 166 ALA n 1 167 ALA n 1 168 GLY n 1 169 ILE n 1 170 PRO n 1 171 LEU n 1 172 LYS n 1 173 PRO n 1 174 LEU n 1 175 TYR n 1 176 GLU n 1 177 ASP n 1 178 PHE n 1 179 THR n 1 180 ALA n 1 181 LEU n 1 182 SER n 1 183 ASN n 1 184 GLU n 1 185 ALA n 1 186 TYR n 1 187 LYS n 1 188 GLN n 1 189 ASP n 1 190 GLY n 1 191 PHE n 1 192 THR n 1 193 ASP n 1 194 THR n 1 195 GLY n 1 196 ALA n 1 197 TYR n 1 198 TRP n 1 199 ARG n 1 200 SER n 1 201 TRP n 1 202 TYR n 1 203 ASN n 1 204 SER n 1 205 PRO n 1 206 THR n 1 207 PHE n 1 208 GLU n 1 209 ASP n 1 210 ASP n 1 211 LEU n 1 212 GLU n 1 213 HIS n 1 214 LEU n 1 215 TYR n 1 216 GLN n 1 217 GLN n 1 218 LEU n 1 219 GLU n 1 220 PRO n 1 221 LEU n 1 222 TYR n 1 223 LEU n 1 224 ASN n 1 225 LEU n 1 226 HIS n 1 227 ALA n 1 228 PHE n 1 229 VAL n 1 230 ARG n 1 231 ARG n 1 232 ALA n 1 233 LEU n 1 234 HIS n 1 235 ARG n 1 236 ARG n 1 237 TYR n 1 238 GLY n 1 239 ASP n 1 240 ARG n 1 241 TYR n 1 242 ILE n 1 243 ASN n 1 244 LEU n 1 245 ARG n 1 246 GLY n 1 247 PRO n 1 248 ILE n 1 249 PRO n 1 250 ALA n 1 251 HIS n 1 252 LEU n 1 253 LEU n 1 254 GLY n 1 255 ASP n 1 256 MET n 1 257 TRP n 1 258 ALA n 1 259 GLN n 1 260 SER n 1 261 TRP n 1 262 GLU n 1 263 ASN n 1 264 ILE n 1 265 TYR n 1 266 ASP n 1 267 MET n 1 268 VAL n 1 269 VAL n 1 270 PRO n 1 271 PHE n 1 272 PRO n 1 273 ASP n 1 274 LYS n 1 275 PRO n 1 276 ASN n 1 277 LEU n 1 278 ASP n 1 279 VAL n 1 280 THR n 1 281 SER n 1 282 THR n 1 283 MET n 1 284 LEU n 1 285 GLN n 1 286 GLN n 1 287 GLY n 1 288 TRP n 1 289 GLN n 1 290 ALA n 1 291 THR n 1 292 HIS n 1 293 MET n 1 294 PHE n 1 295 ARG n 1 296 VAL n 1 297 ALA n 1 298 GLU n 1 299 GLU n 1 300 PHE n 1 301 PHE n 1 302 THR n 1 303 SER n 1 304 LEU n 1 305 GLU n 1 306 LEU n 1 307 SER n 1 308 PRO n 1 309 MET n 1 310 PRO n 1 311 PRO n 1 312 GLU n 1 313 PHE n 1 314 TRP n 1 315 GLU n 1 316 GLY n 1 317 SER n 1 318 MET n 1 319 LEU n 1 320 GLU n 1 321 LYS n 1 322 PRO n 1 323 ALA n 1 324 ASP n 1 325 GLY n 1 326 ARG n 1 327 GLU n 1 328 VAL n 1 329 VAL n 1 330 CYS n 1 331 HIS n 1 332 ALA n 1 333 SER n 1 334 ALA n 1 335 TRP n 1 336 ASP n 1 337 PHE n 1 338 TYR n 1 339 ASN n 1 340 ARG n 1 341 LYS n 1 342 ASP n 1 343 PHE n 1 344 ARG n 1 345 ILE n 1 346 LYS n 1 347 GLN n 1 348 CYS n 1 349 THR n 1 350 ARG n 1 351 VAL n 1 352 THR n 1 353 MET n 1 354 ASP n 1 355 GLN n 1 356 LEU n 1 357 SER n 1 358 THR n 1 359 VAL n 1 360 HIS n 1 361 HIS n 1 362 GLU n 1 363 MET n 1 364 GLY n 1 365 HIS n 1 366 ILE n 1 367 GLN n 1 368 TYR n 1 369 TYR n 1 370 LEU n 1 371 GLN n 1 372 TYR n 1 373 LYS n 1 374 ASP n 1 375 LEU n 1 376 PRO n 1 377 VAL n 1 378 SER n 1 379 LEU n 1 380 ARG n 1 381 ARG n 1 382 GLY n 1 383 ALA n 1 384 ASN n 1 385 PRO n 1 386 GLY n 1 387 PHE n 1 388 HIS n 1 389 GLU n 1 390 ALA n 1 391 ILE n 1 392 GLY n 1 393 ASP n 1 394 VAL n 1 395 LEU n 1 396 ALA n 1 397 LEU n 1 398 SER n 1 399 VAL n 1 400 SER n 1 401 THR n 1 402 PRO n 1 403 GLU n 1 404 HIS n 1 405 LEU n 1 406 HIS n 1 407 LYS n 1 408 ILE n 1 409 GLY n 1 410 LEU n 1 411 LEU n 1 412 ASP n 1 413 ARG n 1 414 VAL n 1 415 THR n 1 416 ASN n 1 417 ASP n 1 418 THR n 1 419 GLU n 1 420 SER n 1 421 ASP n 1 422 ILE n 1 423 ASN n 1 424 TYR n 1 425 LEU n 1 426 LEU n 1 427 LYS n 1 428 MET n 1 429 ALA n 1 430 LEU n 1 431 GLU n 1 432 LYS n 1 433 ILE n 1 434 ALA n 1 435 PHE n 1 436 LEU n 1 437 PRO n 1 438 PHE n 1 439 GLY n 1 440 TYR n 1 441 LEU n 1 442 VAL n 1 443 ASP n 1 444 GLN n 1 445 TRP n 1 446 ARG n 1 447 TRP n 1 448 GLY n 1 449 VAL n 1 450 PHE n 1 451 SER n 1 452 GLY n 1 453 ARG n 1 454 THR n 1 455 PRO n 1 456 PRO n 1 457 SER n 1 458 ARG n 1 459 TYR n 1 460 ASN n 1 461 PHE n 1 462 ASP n 1 463 TRP n 1 464 TRP n 1 465 TYR n 1 466 LEU n 1 467 ARG n 1 468 THR n 1 469 LYS n 1 470 TYR n 1 471 GLN n 1 472 GLY n 1 473 ILE n 1 474 CYS n 1 475 PRO n 1 476 PRO n 1 477 VAL n 1 478 THR n 1 479 ARG n 1 480 ASN n 1 481 GLU n 1 482 THR n 1 483 HIS n 1 484 PHE n 1 485 ASP n 1 486 ALA n 1 487 GLY n 1 488 ALA n 1 489 LYS n 1 490 PHE n 1 491 HIS n 1 492 VAL n 1 493 PRO n 1 494 ASN n 1 495 VAL n 1 496 THR n 1 497 PRO n 1 498 TYR n 1 499 ILE n 1 500 ARG n 1 501 TYR n 1 502 PHE n 1 503 VAL n 1 504 SER n 1 505 PHE n 1 506 VAL n 1 507 LEU n 1 508 GLN n 1 509 PHE n 1 510 GLN n 1 511 PHE n 1 512 HIS n 1 513 GLU n 1 514 ALA n 1 515 LEU n 1 516 CYS n 1 517 LYS n 1 518 GLU n 1 519 ALA n 1 520 GLY n 1 521 TYR n 1 522 GLU n 1 523 GLY n 1 524 PRO n 1 525 LEU n 1 526 HIS n 1 527 GLN n 1 528 CYS n 1 529 ASP n 1 530 ILE n 1 531 TYR n 1 532 ARG n 1 533 SER n 1 534 THR n 1 535 LYS n 1 536 ALA n 1 537 GLY n 1 538 ALA n 1 539 LYS n 1 540 LEU n 1 541 ARG n 1 542 LYS n 1 543 VAL n 1 544 LEU n 1 545 ARG n 1 546 ALA n 1 547 GLY n 1 548 SER n 1 549 SER n 1 550 ARG n 1 551 PRO n 1 552 TRP n 1 553 GLN n 1 554 GLU n 1 555 VAL n 1 556 LEU n 1 557 LYS n 1 558 ASP n 1 559 MET n 1 560 VAL n 1 561 GLY n 1 562 LEU n 1 563 ASP n 1 564 ALA n 1 565 LEU n 1 566 ASP n 1 567 ALA n 1 568 GLN n 1 569 PRO n 1 570 LEU n 1 571 LEU n 1 572 LYS n 1 573 TYR n 1 574 PHE n 1 575 GLN n 1 576 LEU n 1 577 VAL n 1 578 THR n 1 579 GLN n 1 580 TRP n 1 581 LEU n 1 582 GLN n 1 583 GLU n 1 584 GLN n 1 585 ASN n 1 586 GLN n 1 587 GLN n 1 588 ASN n 1 589 GLY n 1 590 GLU n 1 591 VAL n 1 592 LEU n 1 593 GLY n 1 594 TRP n 1 595 PRO n 1 596 GLU n 1 597 TYR n 1 598 GLN n 1 599 TRP n 1 600 HIS n 1 601 PRO n 1 602 PRO n 1 603 LEU n 1 604 PRO n 1 605 ASP n 1 606 ASN n 1 607 TYR n 1 608 PRO n 1 609 GLU n 1 610 GLY n # _entity_src_gen.entity_id 1 _entity_src_gen.pdbx_src_id 1 _entity_src_gen.pdbx_alt_source_flag sample _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 HUMAN _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 'HOMO SAPIENS' _entity_src_gen.pdbx_gene_src_ncbi_taxonomy_id 9606 _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 'CHINESE HAMSTER' _entity_src_gen.pdbx_host_org_scientific_name 'CRICETULUS GRISEUS' _entity_src_gen.pdbx_host_org_ncbi_taxonomy_id 10029 _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 CHO _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 ? # _struct_ref.id 1 _struct_ref.db_name UNP _struct_ref.db_code ACE_HUMAN _struct_ref.entity_id 1 _struct_ref.pdbx_seq_one_letter_code ? _struct_ref.pdbx_align_begin ? _struct_ref.pdbx_db_accession P12821 _struct_ref.pdbx_db_isoform ? # 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 4CA6 A 1 ? 610 ? P12821 30 ? 639 ? 1 610 2 1 4CA6 B 1 ? 610 ? P12821 30 ? 639 ? 1 610 # 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 1 4CA6 GLN A 9 ? UNP P12821 ASN 38 conflict 9 1 1 4CA6 GLN A 25 ? UNP P12821 ASN 54 conflict 25 2 1 4CA6 GLN A 82 ? UNP P12821 ASN 111 conflict 82 3 1 4CA6 GLN A 117 ? UNP P12821 ASN 146 conflict 117 4 1 4CA6 GLN A 289 ? UNP P12821 ASN 318 conflict 289 5 1 4CA6 ARG A 545 ? UNP P12821 GLN 574 'engineered mutation' 545 6 1 4CA6 LEU A 576 ? UNP P12821 PRO 605 'engineered mutation' 576 7 2 4CA6 GLN B 9 ? UNP P12821 ASN 38 conflict 9 8 2 4CA6 GLN B 25 ? UNP P12821 ASN 54 conflict 25 9 2 4CA6 GLN B 82 ? UNP P12821 ASN 111 conflict 82 10 2 4CA6 GLN B 117 ? UNP P12821 ASN 146 conflict 117 11 2 4CA6 GLN B 289 ? UNP P12821 ASN 318 conflict 289 12 2 4CA6 ARG B 545 ? UNP P12821 GLN 574 'engineered mutation' 545 13 2 4CA6 LEU B 576 ? UNP P12821 PRO 605 'engineered mutation' 576 14 # 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 3EF non-polymer . ;N-{(2S)-3-[(S)-[(1R)-1-{[(benzyloxy)carbonyl]amino}-2-phenylethyl](hydroxy)phosphoryl]-2-[(3-phenyl-1,2-oxazol-5-yl)methyl]propanoyl}-L-tyrosine ; ? 'C38 H38 N3 O9 P' 711.697 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 BMA D-saccharide . BETA-D-MANNOSE ? 'C6 H12 O6' 180.156 CL non-polymer . 'CHLORIDE ION' ? 'Cl -1' 35.453 CYS 'L-peptide linking' y CYSTEINE ? 'C3 H7 N O2 S' 121.158 FUC saccharide . ALPHA-L-FUCOSE ? 'C6 H12 O5' 164.156 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 P6G non-polymer . 'HEXAETHYLENE GLYCOL' 'POLYETHYLENE GLYCOL PEG400' 'C12 H26 O7' 282.331 PEG non-polymer . 'DI(HYDROXYETHYL)ETHER' ? 'C4 H10 O3' 106.120 PG4 non-polymer . 'TETRAETHYLENE GLYCOL' ? 'C8 H18 O5' 194.226 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 ZN non-polymer . 'ZINC ION' ? 'Zn 2' 65.409 # _exptl.entry_id 4CA6 _exptl.method 'X-RAY DIFFRACTION' _exptl.crystals_number 1 # _exptl_crystal.id 1 _exptl_crystal.density_meas ? _exptl_crystal.density_Matthews 2.9 _exptl_crystal.density_percent_sol 57.6 _exptl_crystal.description NONE # _exptl_crystal_grow.crystal_id 1 _exptl_crystal_grow.method ? _exptl_crystal_grow.temp ? _exptl_crystal_grow.temp_details ? _exptl_crystal_grow.pH 8.5 _exptl_crystal_grow.pdbx_pH_range ? _exptl_crystal_grow.pdbx_details '0.06 M DIVALENT CATIONS, 0.1 M TRIS/BICINE PH 8.5, 30 % PEG550MME/PEG20000' # _diffrn.id 1 _diffrn.ambient_temp 100 _diffrn.ambient_temp_details ? _diffrn.crystal_id 1 # _diffrn_detector.diffrn_id 1 _diffrn_detector.detector PIXEL _diffrn_detector.type 'DECTRIS PILATUS 6M' _diffrn_detector.pdbx_collection_date 2012-09-29 _diffrn_detector.details ? # _diffrn_radiation.diffrn_id 1 _diffrn_radiation.wavelength_id 1 _diffrn_radiation.pdbx_monochromatic_or_laue_m_l M _diffrn_radiation.monochromator ? _diffrn_radiation.pdbx_diffrn_protocol 'SINGLE WAVELENGTH' _diffrn_radiation.pdbx_scattering_type x-ray # _diffrn_radiation_wavelength.id 1 _diffrn_radiation_wavelength.wavelength 0.9763 _diffrn_radiation_wavelength.wt 1.0 # _diffrn_source.diffrn_id 1 _diffrn_source.source SYNCHROTRON _diffrn_source.type 'DIAMOND BEAMLINE I03' _diffrn_source.pdbx_synchrotron_site Diamond _diffrn_source.pdbx_synchrotron_beamline I03 _diffrn_source.pdbx_wavelength 0.9763 _diffrn_source.pdbx_wavelength_list ? # _reflns.pdbx_diffrn_id 1 _reflns.pdbx_ordinal 1 _reflns.entry_id 4CA6 _reflns.observed_criterion_sigma_I 0.0 _reflns.observed_criterion_sigma_F ? _reflns.d_resolution_low 29.70 _reflns.d_resolution_high 1.91 _reflns.number_obs 115256 _reflns.number_all ? _reflns.percent_possible_obs 96.4 _reflns.pdbx_Rmerge_I_obs 0.06 _reflns.pdbx_Rsym_value ? _reflns.pdbx_netI_over_sigmaI 12.20 _reflns.B_iso_Wilson_estimate ? _reflns.pdbx_redundancy 3.5 # _reflns_shell.pdbx_diffrn_id 1 _reflns_shell.pdbx_ordinal 1 _reflns_shell.d_res_high 1.91 _reflns_shell.d_res_low 2.02 _reflns_shell.percent_possible_all 90.4 _reflns_shell.Rmerge_I_obs 0.63 _reflns_shell.pdbx_Rsym_value ? _reflns_shell.meanI_over_sigI_obs 2.10 _reflns_shell.pdbx_redundancy 3.2 # _refine.pdbx_refine_id 'X-RAY DIFFRACTION' _refine.entry_id 4CA6 _refine.pdbx_diffrn_id 1 _refine.pdbx_TLS_residual_ADP_flag ? _refine.ls_number_reflns_obs 109477 _refine.ls_number_reflns_all ? _refine.pdbx_ls_sigma_I ? _refine.pdbx_ls_sigma_F . _refine.pdbx_data_cutoff_high_absF ? _refine.pdbx_data_cutoff_low_absF ? _refine.pdbx_data_cutoff_high_rms_absF ? _refine.ls_d_res_low 29.74 _refine.ls_d_res_high 1.91 _refine.ls_percent_reflns_obs 96.36 _refine.ls_R_factor_obs 0.18855 _refine.ls_R_factor_all ? _refine.ls_R_factor_R_work 0.18675 _refine.ls_R_factor_R_free 0.22296 _refine.ls_R_factor_R_free_error ? _refine.ls_R_factor_R_free_error_details ? _refine.ls_percent_reflns_R_free 5.0 _refine.ls_number_reflns_R_free 5779 _refine.ls_number_parameters ? _refine.ls_number_restraints ? _refine.occupancy_min ? _refine.occupancy_max ? _refine.correlation_coeff_Fo_to_Fc 0.962 _refine.correlation_coeff_Fo_to_Fc_free 0.944 _refine.B_iso_mean 29.756 _refine.aniso_B[1][1] -0.09 _refine.aniso_B[2][2] 0.37 _refine.aniso_B[3][3] 0.40 _refine.aniso_B[1][2] 2.04 _refine.aniso_B[1][3] 0.63 _refine.aniso_B[2][3] -0.37 _refine.solvent_model_details MASK _refine.solvent_model_param_ksol ? _refine.solvent_model_param_bsol ? _refine.pdbx_solvent_vdw_probe_radii 1.20 _refine.pdbx_solvent_ion_probe_radii 0.80 _refine.pdbx_solvent_shrinkage_radii 0.80 _refine.pdbx_ls_cross_valid_method THROUGHOUT _refine.details 'HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS.' _refine.pdbx_starting_model 'PDB ENTRY 2XYD' _refine.pdbx_method_to_determine_struct 'MOLECULAR REPLACEMENT' _refine.pdbx_isotropic_thermal_model ? _refine.pdbx_stereochemistry_target_values 'MAXIMUM LIKELIHOOD' _refine.pdbx_stereochem_target_val_spec_case ? _refine.pdbx_R_Free_selection_details RANDOM _refine.pdbx_overall_ESU_R 0.150 _refine.pdbx_overall_ESU_R_Free 0.139 _refine.overall_SU_ML 0.102 _refine.pdbx_overall_phase_error ? _refine.overall_SU_B 6.980 _refine.overall_SU_R_Cruickshank_DPI ? _refine.pdbx_overall_SU_R_free_Cruickshank_DPI ? _refine.pdbx_overall_SU_R_Blow_DPI ? _refine.pdbx_overall_SU_R_free_Blow_DPI ? # _refine_hist.pdbx_refine_id 'X-RAY DIFFRACTION' _refine_hist.cycle_id LAST _refine_hist.pdbx_number_atoms_protein 9917 _refine_hist.pdbx_number_atoms_nucleic_acid 0 _refine_hist.pdbx_number_atoms_ligand 369 _refine_hist.number_atoms_solvent 594 _refine_hist.number_atoms_total 10880 _refine_hist.d_res_high 1.91 _refine_hist.d_res_low 29.74 # loop_ _refine_ls_restr.type _refine_ls_restr.dev_ideal _refine_ls_restr.dev_ideal_target _refine_ls_restr.weight _refine_ls_restr.number _refine_ls_restr.pdbx_refine_id _refine_ls_restr.pdbx_restraint_function r_bond_refined_d 0.008 0.019 ? 10638 'X-RAY DIFFRACTION' ? r_bond_other_d ? ? ? ? 'X-RAY DIFFRACTION' ? r_angle_refined_deg 1.350 1.970 ? 14483 'X-RAY DIFFRACTION' ? r_angle_other_deg ? ? ? ? 'X-RAY DIFFRACTION' ? r_dihedral_angle_1_deg 5.313 5.000 ? 1218 'X-RAY DIFFRACTION' ? r_dihedral_angle_2_deg 35.672 23.759 ? 532 'X-RAY DIFFRACTION' ? r_dihedral_angle_3_deg 14.334 15.000 ? 1609 'X-RAY DIFFRACTION' ? r_dihedral_angle_4_deg 15.572 15.000 ? 66 'X-RAY DIFFRACTION' ? r_chiral_restr 0.086 0.200 ? 1514 'X-RAY DIFFRACTION' ? r_gen_planes_refined 0.006 0.021 ? 8266 'X-RAY DIFFRACTION' ? r_gen_planes_other ? ? ? ? 'X-RAY DIFFRACTION' ? r_nbd_refined ? ? ? ? 'X-RAY DIFFRACTION' ? r_nbd_other ? ? ? ? 'X-RAY DIFFRACTION' ? r_nbtor_refined ? ? ? ? 'X-RAY DIFFRACTION' ? r_nbtor_other ? ? ? ? 'X-RAY DIFFRACTION' ? r_xyhbond_nbd_refined ? ? ? ? 'X-RAY DIFFRACTION' ? r_xyhbond_nbd_other ? ? ? ? 'X-RAY DIFFRACTION' ? r_metal_ion_refined ? ? ? ? 'X-RAY DIFFRACTION' ? r_metal_ion_other ? ? ? ? 'X-RAY DIFFRACTION' ? r_symmetry_vdw_refined ? ? ? ? 'X-RAY DIFFRACTION' ? r_symmetry_vdw_other ? ? ? ? 'X-RAY DIFFRACTION' ? r_symmetry_hbond_refined ? ? ? ? 'X-RAY DIFFRACTION' ? r_symmetry_hbond_other ? ? ? ? 'X-RAY DIFFRACTION' ? r_symmetry_metal_ion_refined ? ? ? ? 'X-RAY DIFFRACTION' ? r_symmetry_metal_ion_other ? ? ? ? 'X-RAY DIFFRACTION' ? r_mcbond_it ? ? ? ? 'X-RAY DIFFRACTION' ? r_mcbond_other ? ? ? ? 'X-RAY DIFFRACTION' ? r_mcangle_it ? ? ? ? 'X-RAY DIFFRACTION' ? r_mcangle_other ? ? ? ? 'X-RAY DIFFRACTION' ? r_scbond_it ? ? ? ? 'X-RAY DIFFRACTION' ? r_scbond_other ? ? ? ? 'X-RAY DIFFRACTION' ? r_scangle_it ? ? ? ? 'X-RAY DIFFRACTION' ? r_scangle_other ? ? ? ? 'X-RAY DIFFRACTION' ? r_long_range_B_refined ? ? ? ? 'X-RAY DIFFRACTION' ? r_long_range_B_other ? ? ? ? 'X-RAY DIFFRACTION' ? r_rigid_bond_restr ? ? ? ? 'X-RAY DIFFRACTION' ? r_sphericity_free ? ? ? ? 'X-RAY DIFFRACTION' ? r_sphericity_bonded ? ? ? ? 'X-RAY DIFFRACTION' ? # _refine_ls_shell.pdbx_refine_id 'X-RAY DIFFRACTION' _refine_ls_shell.pdbx_total_number_of_bins_used 20 _refine_ls_shell.d_res_high 1.914 _refine_ls_shell.d_res_low 1.964 _refine_ls_shell.number_reflns_R_work 7074 _refine_ls_shell.R_factor_R_work 0.317 _refine_ls_shell.percent_reflns_obs 84.15 _refine_ls_shell.R_factor_R_free 0.325 _refine_ls_shell.R_factor_R_free_error ? _refine_ls_shell.percent_reflns_R_free ? _refine_ls_shell.number_reflns_R_free 372 _refine_ls_shell.number_reflns_all ? _refine_ls_shell.R_factor_all ? # _struct.entry_id 4CA6 _struct.title 'Human Angiotensin converting enzyme N-domain in complex with a phosphinic tripeptide FI' _struct.pdbx_descriptor 'ANGIOTENSIN-CONVERTING ENZYME N-DOMAIN (E.C.3.4.15.1)' _struct.pdbx_model_details ? _struct.pdbx_CASP_flag ? _struct.pdbx_model_type_details ? # _struct_keywords.entry_id 4CA6 _struct_keywords.pdbx_keywords HYDROLASE _struct_keywords.text 'HYDROLASE, ZINC METALLOPEPTIDASE, INHIBITOR BINDING' # 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 1 ? C N N 2 ? D N N 3 ? E N N 4 ? F N N 5 ? G N N 5 ? H N N 5 ? I N N 5 ? J N N 5 ? K N N 6 ? L N N 4 ? M N N 7 ? N N N 7 ? O N N 8 ? P N N 7 ? Q N N 9 ? R N N 2 ? S N N 3 ? T N N 4 ? U N N 5 ? V N N 5 ? W N N 5 ? X N N 5 ? Y N N 5 ? Z N N 6 ? AA N N 7 ? BA N N 10 ? CA N N 7 ? DA N N 7 ? EA N N 9 ? FA N N 11 ? GA N N 11 ? # _struct_biol.id 1 # 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 1 ASP A 2 ? GLN A 6 ? ASP A 2 GLN A 6 5 ? 5 HELX_P HELX_P2 2 ASP A 13 ? THR A 44 ? ASP A 13 THR A 44 1 ? 32 HELX_P HELX_P3 3 THR A 47 ? GLU A 77 ? THR A 47 GLU A 77 1 ? 31 HELX_P HELX_P4 4 ILE A 79 ? PHE A 83 ? ILE A 79 PHE A 83 5 ? 5 HELX_P HELX_P5 5 ASP A 85 ? ARG A 96 ? ASP A 85 ARG A 96 1 ? 12 HELX_P HELX_P6 6 LEU A 98 ? LEU A 103 ? LEU A 98 LEU A 103 5 ? 6 HELX_P HELX_P7 7 PRO A 104 ? ALA A 125 ? PRO A 104 ALA A 125 1 ? 22 HELX_P HELX_P8 8 PRO A 141 ? SER A 150 ? PRO A 141 SER A 150 1 ? 10 HELX_P HELX_P9 9 SER A 152 ? ASP A 189 ? SER A 152 ASP A 189 1 ? 38 HELX_P HELX_P10 10 ASP A 193 ? TRP A 201 ? ASP A 193 TRP A 201 1 ? 9 HELX_P HELX_P11 11 THR A 206 ? GLY A 238 ? THR A 206 GLY A 238 1 ? 33 HELX_P HELX_P12 12 TRP A 261 ? ASN A 263 ? TRP A 261 ASN A 263 5 ? 3 HELX_P HELX_P13 13 ILE A 264 ? VAL A 269 ? ILE A 264 VAL A 269 1 ? 6 HELX_P HELX_P14 14 VAL A 279 ? GLY A 287 ? VAL A 279 GLY A 287 1 ? 9 HELX_P HELX_P15 15 GLN A 289 ? LEU A 304 ? GLN A 289 LEU A 304 1 ? 16 HELX_P HELX_P16 16 PRO A 310 ? SER A 317 ? PRO A 310 SER A 317 1 ? 8 HELX_P HELX_P17 17 THR A 352 ? LYS A 373 ? THR A 352 LYS A 373 1 ? 22 HELX_P HELX_P18 18 PRO A 376 ? ARG A 380 ? PRO A 376 ARG A 380 5 ? 5 HELX_P HELX_P19 19 ASN A 384 ? SER A 400 ? ASN A 384 SER A 400 1 ? 17 HELX_P HELX_P20 20 THR A 401 ? ILE A 408 ? THR A 401 ILE A 408 1 ? 8 HELX_P HELX_P21 21 ASP A 417 ? ILE A 433 ? ASP A 417 ILE A 433 1 ? 17 HELX_P HELX_P22 22 ALA A 434 ? SER A 451 ? ALA A 434 SER A 451 1 ? 18 HELX_P HELX_P23 23 PRO A 455 ? SER A 457 ? PRO A 455 SER A 457 5 ? 3 HELX_P HELX_P24 24 ARG A 458 ? GLY A 472 ? ARG A 458 GLY A 472 1 ? 15 HELX_P HELX_P25 25 PHE A 484 ? LYS A 489 ? PHE A 484 LYS A 489 5 ? 6 HELX_P HELX_P26 26 TYR A 498 ? ALA A 519 ? TYR A 498 ALA A 519 1 ? 22 HELX_P HELX_P27 27 PRO A 524 ? CYS A 528 ? PRO A 524 CYS A 528 5 ? 5 HELX_P HELX_P28 28 SER A 533 ? GLY A 547 ? SER A 533 GLY A 547 1 ? 15 HELX_P HELX_P29 29 PRO A 551 ? GLY A 561 ? PRO A 551 GLY A 561 1 ? 11 HELX_P HELX_P30 30 ALA A 567 ? ASN A 588 ? ALA A 567 ASN A 588 1 ? 22 HELX_P HELX_P31 31 ASP B 2 ? GLN B 6 ? ASP B 2 GLN B 6 5 ? 5 HELX_P HELX_P32 32 ASP B 13 ? THR B 44 ? ASP B 13 THR B 44 1 ? 32 HELX_P HELX_P33 33 THR B 47 ? GLU B 77 ? THR B 47 GLU B 77 1 ? 31 HELX_P HELX_P34 34 ILE B 79 ? PHE B 83 ? ILE B 79 PHE B 83 5 ? 5 HELX_P HELX_P35 35 ASP B 85 ? ARG B 96 ? ASP B 85 ARG B 96 1 ? 12 HELX_P HELX_P36 36 LEU B 98 ? LEU B 103 ? LEU B 98 LEU B 103 5 ? 6 HELX_P HELX_P37 37 PRO B 104 ? ALA B 125 ? PRO B 104 ALA B 125 1 ? 22 HELX_P HELX_P38 38 PRO B 141 ? SER B 150 ? PRO B 141 SER B 150 1 ? 10 HELX_P HELX_P39 39 SER B 152 ? GLN B 188 ? SER B 152 GLN B 188 1 ? 37 HELX_P HELX_P40 40 ASP B 193 ? TRP B 201 ? ASP B 193 TRP B 201 1 ? 9 HELX_P HELX_P41 41 THR B 206 ? GLY B 238 ? THR B 206 GLY B 238 1 ? 33 HELX_P HELX_P42 42 TRP B 261 ? ASN B 263 ? TRP B 261 ASN B 263 5 ? 3 HELX_P HELX_P43 43 ILE B 264 ? VAL B 269 ? ILE B 264 VAL B 269 1 ? 6 HELX_P HELX_P44 44 VAL B 279 ? GLY B 287 ? VAL B 279 GLY B 287 1 ? 9 HELX_P HELX_P45 45 GLN B 289 ? LEU B 304 ? GLN B 289 LEU B 304 1 ? 16 HELX_P HELX_P46 46 PRO B 310 ? SER B 317 ? PRO B 310 SER B 317 1 ? 8 HELX_P HELX_P47 47 THR B 352 ? LYS B 373 ? THR B 352 LYS B 373 1 ? 22 HELX_P HELX_P48 48 PRO B 376 ? ARG B 380 ? PRO B 376 ARG B 380 5 ? 5 HELX_P HELX_P49 49 ASN B 384 ? ILE B 408 ? ASN B 384 ILE B 408 1 ? 25 HELX_P HELX_P50 50 ASP B 417 ? ILE B 433 ? ASP B 417 ILE B 433 1 ? 17 HELX_P HELX_P51 51 PHE B 435 ? SER B 451 ? PHE B 435 SER B 451 1 ? 17 HELX_P HELX_P52 52 PRO B 455 ? SER B 457 ? PRO B 455 SER B 457 5 ? 3 HELX_P HELX_P53 53 ARG B 458 ? GLY B 472 ? ARG B 458 GLY B 472 1 ? 15 HELX_P HELX_P54 54 PHE B 484 ? LYS B 489 ? PHE B 484 LYS B 489 5 ? 6 HELX_P HELX_P55 55 TYR B 498 ? ALA B 519 ? TYR B 498 ALA B 519 1 ? 22 HELX_P HELX_P56 56 PRO B 524 ? CYS B 528 ? PRO B 524 CYS B 528 5 ? 5 HELX_P HELX_P57 57 SER B 533 ? ALA B 546 ? SER B 533 ALA B 546 1 ? 14 HELX_P HELX_P58 58 PRO B 551 ? GLY B 561 ? PRO B 551 GLY B 561 1 ? 11 HELX_P HELX_P59 59 ALA B 567 ? ASN B 588 ? ALA B 567 ASN B 588 1 ? 22 # _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 128 SG ? ? ? 1_555 A CYS 136 SG ? ? A CYS 128 A CYS 136 1_555 ? ? ? ? ? ? ? 2.046 ? disulf2 disulf ? ? A CYS 330 SG ? ? ? 1_555 A CYS 348 SG ? ? A CYS 330 A CYS 348 1_555 ? ? ? ? ? ? ? 2.076 ? disulf3 disulf ? ? A CYS 516 SG ? ? ? 1_555 A CYS 528 SG ? ? A CYS 516 A CYS 528 1_555 ? ? ? ? ? ? ? 2.025 ? disulf4 disulf ? ? B CYS 128 SG ? ? ? 1_555 B CYS 136 SG ? ? B CYS 128 B CYS 136 1_555 ? ? ? ? ? ? ? 2.058 ? disulf5 disulf ? ? B CYS 330 SG ? ? ? 1_555 B CYS 348 SG ? ? B CYS 330 B CYS 348 1_555 ? ? ? ? ? ? ? 2.090 ? disulf6 disulf ? ? B CYS 516 SG ? ? ? 1_555 B CYS 528 SG ? ? B CYS 516 B CYS 528 1_555 ? ? ? ? ? ? ? 2.024 ? covale1 covale ? ? A ASN 45 ND2 ? ? ? 1_555 G NAG . C1 ? ? A ASN 45 A NAG 1614 1_555 ? ? ? ? ? ? ? 1.441 ? covale2 covale ? ? A ASN 416 CG ? ? ? 1_555 I NAG . C1 ? ? A ASN 416 A NAG 1616 1_555 ? ? ? ? ? ? ? 1.639 ? covale3 covale ? ? A ASN 416 OD1 ? ? ? 1_555 I NAG . C1 ? ? A ASN 416 A NAG 1616 1_555 ? ? ? ? ? ? ? 1.679 ? covale4 covale ? ? A ASN 416 ND2 ? ? ? 1_555 I NAG . C1 ? ? A ASN 416 A NAG 1616 1_555 ? ? ? ? ? ? ? 1.321 ? covale5 covale ? ? A ASN 416 ND2 ? ? ? 1_555 I NAG . O5 ? ? A ASN 416 A NAG 1616 1_555 ? ? ? ? ? ? ? 1.461 ? covale6 covale ? ? A ASN 480 ND2 ? ? ? 1_555 F NAG . C1 ? ? A ASN 480 A NAG 1612 1_555 ? ? ? ? ? ? ? 1.448 ? metalc1 metalc ? ? C ZN . ZN ? ? ? 1_555 Q 3EF . OAD ? ? A ZN 1001 A 3EF 1630 1_555 ? ? ? ? ? ? ? 2.124 ? metalc2 metalc ? ? C ZN . ZN ? ? ? 1_555 Q 3EF . OAG ? ? A ZN 1001 A 3EF 1630 1_555 ? ? ? ? ? ? ? 2.543 ? metalc3 metalc ? ? C ZN . ZN ? ? ? 1_555 A GLU 389 OE1 ? ? A ZN 1001 A GLU 389 1_555 ? ? ? ? ? ? ? 2.034 ? metalc4 metalc ? ? C ZN . ZN ? ? ? 1_555 A HIS 365 NE2 ? ? A ZN 1001 A HIS 365 1_555 ? ? ? ? ? ? ? 2.053 ? metalc5 metalc ? ? C ZN . ZN ? ? ? 1_555 A HIS 361 NE2 ? ? A ZN 1001 A HIS 361 1_555 ? ? ? ? ? ? ? 2.005 ? covale7 covale ? ? E FUC . C1 ? ? ? 1_555 F NAG . O6 ? ? A FUC 1611 A NAG 1612 1_555 ? ? ? ? ? ? ? 1.442 ? covale8 covale ? ? G NAG . O4 ? ? ? 1_555 H NAG . C1 ? ? A NAG 1614 A NAG 1615 1_555 ? ? ? ? ? ? ? 1.445 ? covale9 covale ? ? I NAG . O6 ? ? ? 1_555 L FUC . C1 ? ? A NAG 1616 A FUC 1619 1_555 ? ? ? ? ? ? ? 1.448 ? covale10 covale ? ? I NAG . O4 ? ? ? 1_555 J NAG . C1 ? ? A NAG 1616 A NAG 1617 1_555 ? ? ? ? ? ? ? 1.453 ? covale11 covale ? ? J NAG . O4 ? ? ? 1_555 K BMA . C1 ? ? A NAG 1617 A BMA 1618 1_555 ? ? ? ? ? ? ? 1.447 ? covale12 covale ? ? B ASN 45 ND2 ? ? ? 1_555 V NAG . C1 ? ? B ASN 45 B NAG 1614 1_555 ? ? ? ? ? ? ? 1.439 ? covale13 covale ? ? B ASN 416 ND2 ? ? ? 1_555 X NAG . C1 ? ? B ASN 416 B NAG 1616 1_555 ? ? ? ? ? ? ? 1.438 ? covale14 covale ? ? B ASN 480 ND2 ? ? ? 1_555 U NAG . C1 ? ? B ASN 480 B NAG 1612 1_555 ? ? ? ? ? ? ? 1.441 ? metalc6 metalc ? ? R ZN . ZN ? ? ? 1_555 EA 3EF . PBY ? ? B ZN 1001 B 3EF 1630 1_555 ? ? ? ? ? ? ? 2.695 ? metalc7 metalc ? ? R ZN . ZN ? ? ? 1_555 EA 3EF . OAG ? ? B ZN 1001 B 3EF 1630 1_555 ? ? ? ? ? ? ? 2.394 ? metalc8 metalc ? ? R ZN . ZN ? ? ? 1_555 EA 3EF . OAD ? ? B ZN 1001 B 3EF 1630 1_555 ? ? ? ? ? ? ? 2.240 ? metalc9 metalc ? ? R ZN . ZN ? ? ? 1_555 B GLU 389 OE1 ? ? B ZN 1001 B GLU 389 1_555 ? ? ? ? ? ? ? 1.909 ? metalc10 metalc ? ? R ZN . ZN ? ? ? 1_555 B HIS 365 NE2 ? ? B ZN 1001 B HIS 365 1_555 ? ? ? ? ? ? ? 1.982 ? metalc11 metalc ? ? R ZN . ZN ? ? ? 1_555 B HIS 361 NE2 ? ? B ZN 1001 B HIS 361 1_555 ? ? ? ? ? ? ? 1.990 ? covale15 covale ? ? T FUC . C1 ? ? ? 1_555 U NAG . O6 ? ? B FUC 1611 B NAG 1612 1_555 ? ? ? ? ? ? ? 1.444 ? covale16 covale ? ? V NAG . O4 ? ? ? 1_555 W NAG . C1 ? ? B NAG 1614 B NAG 1615 1_555 ? ? ? ? ? ? ? 1.448 ? covale17 covale ? ? X NAG . O4 ? ? ? 1_555 Y NAG . C1 ? ? B NAG 1616 B NAG 1617 1_555 ? ? ? ? ? ? ? 1.452 ? covale18 covale ? ? Y NAG . O4 ? ? ? 1_555 Z BMA . C1 ? ? B NAG 1617 B BMA 1618 1_555 ? ? ? ? ? ? ? 1.450 ? # loop_ _struct_conn_type.id _struct_conn_type.criteria _struct_conn_type.reference disulf ? ? covale ? ? metalc ? ? # 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 ASP 140 A . ? ASP 140 A PRO 141 A ? PRO 141 A 1 9.06 2 TYR 607 A . ? TYR 607 A PRO 608 A ? PRO 608 A 1 2.66 3 ASP 140 B . ? ASP 140 B PRO 141 B ? PRO 141 B 1 11.82 4 TYR 607 B . ? TYR 607 B PRO 608 B ? PRO 608 B 1 6.27 # loop_ _struct_sheet.id _struct_sheet.type _struct_sheet.number_strands _struct_sheet.details AA ? 2 ? AB ? 2 ? AC ? 2 ? BA ? 2 ? BB ? 2 ? BC ? 2 ? # 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 AA 1 2 ? anti-parallel AB 1 2 ? parallel AC 1 2 ? anti-parallel BA 1 2 ? anti-parallel BB 1 2 ? parallel BC 1 2 ? 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 AA 1 LYS A 126 ? CYS A 128 ? LYS A 126 CYS A 128 AA 2 CYS A 136 ? SER A 138 ? CYS A 136 SER A 138 AB 1 ILE A 248 ? PRO A 249 ? ILE A 248 PRO A 249 AB 2 ILE A 473 ? CYS A 474 ? ILE A 473 CYS A 474 AC 1 SER A 333 ? ASP A 336 ? SER A 333 ASP A 336 AC 2 PHE A 343 ? LYS A 346 ? PHE A 343 LYS A 346 BA 1 LYS B 126 ? VAL B 127 ? LYS B 126 VAL B 127 BA 2 TRP B 137 ? SER B 138 ? TRP B 137 SER B 138 BB 1 ILE B 248 ? PRO B 249 ? ILE B 248 PRO B 249 BB 2 ILE B 473 ? CYS B 474 ? ILE B 473 CYS B 474 BC 1 SER B 333 ? ASP B 336 ? SER B 333 ASP B 336 BC 2 PHE B 343 ? LYS B 346 ? PHE B 343 LYS B 346 # 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 AA 1 2 N VAL A 127 ? N VAL A 127 O TRP A 137 ? O TRP A 137 AB 1 2 O ILE A 248 ? O ILE A 248 N CYS A 474 ? N CYS A 474 AC 1 2 N TRP A 335 ? N TRP A 335 O ARG A 344 ? O ARG A 344 BA 1 2 N VAL B 127 ? N VAL B 127 O TRP B 137 ? O TRP B 137 BB 1 2 O ILE B 248 ? O ILE B 248 N CYS B 474 ? N CYS B 474 BC 1 2 N TRP B 335 ? N TRP B 335 O ARG B 344 ? O ARG B 344 # 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 ? ? ? ? 4 'BINDING SITE FOR RESIDUE ZN A 1001' AC2 Software ? ? ? ? 4 'BINDING SITE FOR RESIDUE CL A 1002' AC3 Software ? ? ? ? 4 'BINDING SITE FOR RESIDUE PEG A 1622' AC4 Software ? ? ? ? 2 'BINDING SITE FOR RESIDUE PEG A 1624' AC5 Software ? ? ? ? 8 'BINDING SITE FOR RESIDUE PG4 A 1625' AC6 Software ? ? ? ? 9 'BINDING SITE FOR RESIDUE PEG A 1626' AC7 Software ? ? ? ? 4 'BINDING SITE FOR RESIDUE ZN B 1001' AC8 Software ? ? ? ? 4 'BINDING SITE FOR RESIDUE CL B 1003' AC9 Software ? ? ? ? 1 'BINDING SITE FOR RESIDUE PEG B 1621' BC1 Software ? ? ? ? 7 'BINDING SITE FOR RESIDUE P6G B 1622' BC2 Software ? ? ? ? 5 'BINDING SITE FOR RESIDUE PEG B 1623' BC3 Software ? ? ? ? 2 'BINDING SITE FOR RESIDUE PEG B 1624' BC4 Software ? ? ? ? 27 'BINDING SITE FOR RESIDUE 3EF A 1630' BC5 Software ? ? ? ? 28 'BINDING SITE FOR RESIDUE 3EF B 1630' BC6 Software ? ? ? ? 5 'Binding site for Poly-Saccharide residues NAG A1616 through FUC A1619 bound to ASN A 416' BC7 Software ? ? ? ? 5 'Binding site for Poly-Saccharide residues FUC A1611 through NAG A1612 bound to ASN A 480' BC8 Software ? ? ? ? 4 'Binding site for Poly-Saccharide residues NAG B1614 through NAG B1615 bound to ASN B 45' BC9 Software ? ? ? ? 6 'Binding site for Poly-Saccharide residues FUC B1611 through NAG B1612 bound to ASN B 480' CC1 Software ? ? ? ? 4 'Binding site for Poly-Saccharide residues NAG A1614 through NAG A1615' CC2 Software ? ? ? ? 5 'Binding site for Poly-Saccharide residues NAG B1616 through BMA B1618' # 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 4 HIS A 361 ? HIS A 361 . ? 1_555 ? 2 AC1 4 HIS A 365 ? HIS A 365 . ? 1_555 ? 3 AC1 4 GLU A 389 ? GLU A 389 . ? 1_555 ? 4 AC1 4 3EF Q . ? 3EF A 1630 . ? 1_555 ? 5 AC2 4 TYR A 202 ? TYR A 202 . ? 1_555 ? 6 AC2 4 PRO A 497 ? PRO A 497 . ? 1_555 ? 7 AC2 4 ARG A 500 ? ARG A 500 . ? 1_555 ? 8 AC2 4 HOH FA . ? HOH A 2120 . ? 1_555 ? 9 AC3 4 ALA A 334 ? ALA A 334 . ? 1_555 ? 10 AC3 4 TRP A 335 ? TRP A 335 . ? 1_555 ? 11 AC3 4 3EF Q . ? 3EF A 1630 . ? 1_555 ? 12 AC3 4 HOH FA . ? HOH A 2340 . ? 1_555 ? 13 AC4 2 ARG A 96 ? ARG A 96 . ? 1_555 ? 14 AC4 2 GLY A 190 ? GLY A 190 . ? 1_555 ? 15 AC5 8 TYR A 465 ? TYR A 465 . ? 1_555 ? 16 AC5 8 HOH FA . ? HOH A 2256 . ? 1_555 ? 17 AC5 8 HOH FA . ? HOH A 2341 . ? 1_555 ? 18 AC5 8 HOH FA . ? HOH A 2342 . ? 1_555 ? 19 AC5 8 HOH FA . ? HOH A 2343 . ? 1_555 ? 20 AC5 8 ARG B 453 ? ARG B 453 . ? 1_555 ? 21 AC5 8 TYR B 465 ? TYR B 465 . ? 1_555 ? 22 AC5 8 LEU B 466 ? LEU B 466 . ? 1_555 ? 23 AC6 9 PHE A 228 ? PHE A 228 . ? 1_555 ? 24 AC6 9 ARG A 231 ? ARG A 231 . ? 1_555 ? 25 AC6 9 ALA A 232 ? ALA A 232 . ? 1_555 ? 26 AC6 9 ARG A 235 ? ARG A 235 . ? 1_555 ? 27 AC6 9 VAL A 268 ? VAL A 268 . ? 1_555 ? 28 AC6 9 VAL A 269 ? VAL A 269 . ? 1_555 ? 29 AC6 9 ASN A 588 ? ASN A 588 . ? 1_555 ? 30 AC6 9 HOH FA . ? HOH A 2157 . ? 1_555 ? 31 AC6 9 HOH FA . ? HOH A 2344 . ? 1_555 ? 32 AC7 4 HIS B 361 ? HIS B 361 . ? 1_555 ? 33 AC7 4 HIS B 365 ? HIS B 365 . ? 1_555 ? 34 AC7 4 GLU B 389 ? GLU B 389 . ? 1_555 ? 35 AC7 4 3EF EA . ? 3EF B 1630 . ? 1_555 ? 36 AC8 4 TYR B 202 ? TYR B 202 . ? 1_555 ? 37 AC8 4 PRO B 497 ? PRO B 497 . ? 1_555 ? 38 AC8 4 ARG B 500 ? ARG B 500 . ? 1_555 ? 39 AC8 4 HOH GA . ? HOH B 2096 . ? 1_555 ? 40 AC9 1 ARG B 295 ? ARG B 295 . ? 1_555 ? 41 BC1 7 GLN A 286 ? GLN A 286 . ? 1_466 ? 42 BC1 7 GLY A 287 ? GLY A 287 . ? 1_466 ? 43 BC1 7 TRP A 288 ? TRP A 288 . ? 1_466 ? 44 BC1 7 HIS A 292 ? HIS A 292 . ? 1_466 ? 45 BC1 7 GLN B 286 ? GLN B 286 . ? 1_555 ? 46 BC1 7 TRP B 288 ? TRP B 288 . ? 1_555 ? 47 BC1 7 HIS B 292 ? HIS B 292 . ? 1_555 ? 48 BC2 5 TRP B 335 ? TRP B 335 . ? 1_555 ? 49 BC2 5 3EF EA . ? 3EF B 1630 . ? 1_555 ? 50 BC2 5 HOH GA . ? HOH B 2014 . ? 1_555 ? 51 BC2 5 HOH GA . ? HOH B 2249 . ? 1_555 ? 52 BC2 5 HOH GA . ? HOH B 2250 . ? 1_555 ? 53 BC3 2 PHE B 33 ? PHE B 33 . ? 1_555 ? 54 BC3 2 ARG B 344 ? ARG B 344 . ? 1_555 ? 55 BC4 27 GLN A 259 ? GLN A 259 . ? 1_555 ? 56 BC4 27 HIS A 331 ? HIS A 331 . ? 1_555 ? 57 BC4 27 ALA A 332 ? ALA A 332 . ? 1_555 ? 58 BC4 27 SER A 333 ? SER A 333 . ? 1_555 ? 59 BC4 27 ALA A 334 ? ALA A 334 . ? 1_555 ? 60 BC4 27 SER A 357 ? SER A 357 . ? 1_555 ? 61 BC4 27 THR A 358 ? THR A 358 . ? 1_555 ? 62 BC4 27 HIS A 361 ? HIS A 361 . ? 1_555 ? 63 BC4 27 GLU A 362 ? GLU A 362 . ? 1_555 ? 64 BC4 27 HIS A 365 ? HIS A 365 . ? 1_555 ? 65 BC4 27 TYR A 369 ? TYR A 369 . ? 1_555 ? 66 BC4 27 HIS A 388 ? HIS A 388 . ? 1_555 ? 67 BC4 27 GLU A 389 ? GLU A 389 . ? 1_555 ? 68 BC4 27 ASP A 393 ? ASP A 393 . ? 1_555 ? 69 BC4 27 GLU A 431 ? GLU A 431 . ? 1_555 ? 70 BC4 27 LYS A 489 ? LYS A 489 . ? 1_555 ? 71 BC4 27 PHE A 490 ? PHE A 490 . ? 1_555 ? 72 BC4 27 HIS A 491 ? HIS A 491 . ? 1_555 ? 73 BC4 27 THR A 496 ? THR A 496 . ? 1_555 ? 74 BC4 27 TYR A 498 ? TYR A 498 . ? 1_555 ? 75 BC4 27 TYR A 501 ? TYR A 501 . ? 1_555 ? 76 BC4 27 PHE A 505 ? PHE A 505 . ? 1_555 ? 77 BC4 27 ZN C . ? ZN A 1001 . ? 1_555 ? 78 BC4 27 PEG M . ? PEG A 1622 . ? 1_555 ? 79 BC4 27 HOH FA . ? HOH A 2237 . ? 1_555 ? 80 BC4 27 HOH FA . ? HOH A 2253 . ? 1_555 ? 81 BC4 27 HOH FA . ? HOH A 2284 . ? 1_555 ? 82 BC5 28 GLN B 259 ? GLN B 259 . ? 1_555 ? 83 BC5 28 HIS B 331 ? HIS B 331 . ? 1_555 ? 84 BC5 28 ALA B 332 ? ALA B 332 . ? 1_555 ? 85 BC5 28 SER B 333 ? SER B 333 . ? 1_555 ? 86 BC5 28 ALA B 334 ? ALA B 334 . ? 1_555 ? 87 BC5 28 SER B 357 ? SER B 357 . ? 1_555 ? 88 BC5 28 THR B 358 ? THR B 358 . ? 1_555 ? 89 BC5 28 HIS B 361 ? HIS B 361 . ? 1_555 ? 90 BC5 28 GLU B 362 ? GLU B 362 . ? 1_555 ? 91 BC5 28 HIS B 365 ? HIS B 365 . ? 1_555 ? 92 BC5 28 TYR B 369 ? TYR B 369 . ? 1_555 ? 93 BC5 28 HIS B 388 ? HIS B 388 . ? 1_555 ? 94 BC5 28 GLU B 389 ? GLU B 389 . ? 1_555 ? 95 BC5 28 ASP B 393 ? ASP B 393 . ? 1_555 ? 96 BC5 28 GLU B 431 ? GLU B 431 . ? 1_555 ? 97 BC5 28 PHE B 435 ? PHE B 435 . ? 1_555 ? 98 BC5 28 LYS B 489 ? LYS B 489 . ? 1_555 ? 99 BC5 28 PHE B 490 ? PHE B 490 . ? 1_555 ? 100 BC5 28 HIS B 491 ? HIS B 491 . ? 1_555 ? 101 BC5 28 THR B 496 ? THR B 496 . ? 1_555 ? 102 BC5 28 TYR B 498 ? TYR B 498 . ? 1_555 ? 103 BC5 28 TYR B 501 ? TYR B 501 . ? 1_555 ? 104 BC5 28 PHE B 505 ? PHE B 505 . ? 1_555 ? 105 BC5 28 ZN R . ? ZN B 1001 . ? 1_555 ? 106 BC5 28 PEG CA . ? PEG B 1623 . ? 1_555 ? 107 BC5 28 HOH GA . ? HOH B 2191 . ? 1_555 ? 108 BC5 28 HOH GA . ? HOH B 2198 . ? 1_555 ? 109 BC5 28 HOH GA . ? HOH B 2214 . ? 1_555 ? 110 BC6 5 PHE A 10 ? PHE A 10 . ? 1_655 ? 111 BC6 5 GLU A 403 ? GLU A 403 . ? 1_555 ? 112 BC6 5 ASN A 416 ? ASN A 416 . ? 1_555 ? 113 BC6 5 PRO A 524 ? PRO A 524 . ? 1_555 ? 114 BC6 5 GLN A 527 ? GLN A 527 . ? 1_555 ? 115 BC7 5 THR A 478 ? THR A 478 . ? 1_555 ? 116 BC7 5 ASN A 480 ? ASN A 480 . ? 1_555 ? 117 BC7 5 THR A 482 ? THR A 482 . ? 1_555 ? 118 BC7 5 ARG B 245 ? ARG B 245 . ? 1_555 ? 119 BC7 5 GLU B 596 ? GLU B 596 . ? 1_555 ? 120 BC8 4 ASN B 45 ? ASN B 45 . ? 1_555 ? 121 BC8 4 THR B 47 ? THR B 47 . ? 1_555 ? 122 BC8 4 GLU B 49 ? GLU B 49 . ? 1_555 ? 123 BC8 4 ASN B 50 ? ASN B 50 . ? 1_555 ? 124 BC9 6 ARG A 245 ? ARG A 245 . ? 1_555 ? 125 BC9 6 GLU A 596 ? GLU A 596 . ? 1_555 ? 126 BC9 6 THR B 478 ? THR B 478 . ? 1_555 ? 127 BC9 6 ASN B 480 ? ASN B 480 . ? 1_555 ? 128 BC9 6 THR B 482 ? THR B 482 . ? 1_555 ? 129 BC9 6 HOH GA . ? HOH B 2247 . ? 1_555 ? 130 CC1 4 ASN A 45 ? ASN A 45 . ? 1_555 ? 131 CC1 4 THR A 47 ? THR A 47 . ? 1_555 ? 132 CC1 4 GLU A 49 ? GLU A 49 . ? 1_555 ? 133 CC1 4 ASN A 50 ? ASN A 50 . ? 1_555 ? 134 CC2 5 GLU B 403 ? GLU B 403 . ? 1_555 ? 135 CC2 5 ASN B 416 ? ASN B 416 . ? 1_555 ? 136 CC2 5 GLU B 522 ? GLU B 522 . ? 1_555 ? 137 CC2 5 PRO B 524 ? PRO B 524 . ? 1_555 ? 138 CC2 5 GLN B 527 ? GLN B 527 . ? 1_555 ? # _database_PDB_matrix.entry_id 4CA6 _database_PDB_matrix.origx[1][1] 1.000000 _database_PDB_matrix.origx[1][2] 0.000000 _database_PDB_matrix.origx[1][3] 0.000000 _database_PDB_matrix.origx[2][1] 0.000000 _database_PDB_matrix.origx[2][2] 1.000000 _database_PDB_matrix.origx[2][3] 0.000000 _database_PDB_matrix.origx[3][1] 0.000000 _database_PDB_matrix.origx[3][2] 0.000000 _database_PDB_matrix.origx[3][3] 1.000000 _database_PDB_matrix.origx_vector[1] 0.00000 _database_PDB_matrix.origx_vector[2] 0.00000 _database_PDB_matrix.origx_vector[3] 0.00000 # _atom_sites.entry_id 4CA6 _atom_sites.fract_transf_matrix[1][1] 0.013713 _atom_sites.fract_transf_matrix[1][2] -0.003526 _atom_sites.fract_transf_matrix[1][3] -0.006996 _atom_sites.fract_transf_matrix[2][1] 0.000000 _atom_sites.fract_transf_matrix[2][2] 0.013472 _atom_sites.fract_transf_matrix[2][3] 0.001307 _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] 0.013517 _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 CL N O P S ZN # 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 . LEU A 1 1 ? -32.388 -17.411 -26.334 1.00 32.30 ? 1 LEU A N 1 ATOM 2 C CA . LEU A 1 1 ? -31.640 -18.695 -26.203 1.00 32.90 ? 1 LEU A CA 1 ATOM 3 C C . LEU A 1 1 ? -32.457 -19.826 -26.814 1.00 35.02 ? 1 LEU A C 1 ATOM 4 O O . LEU A 1 1 ? -33.648 -19.967 -26.523 1.00 34.33 ? 1 LEU A O 1 ATOM 5 C CB . LEU A 1 1 ? -31.337 -18.983 -24.727 1.00 31.63 ? 1 LEU A CB 1 ATOM 6 C CG . LEU A 1 1 ? -30.497 -20.201 -24.337 1.00 30.82 ? 1 LEU A CG 1 ATOM 7 C CD1 . LEU A 1 1 ? -29.065 -20.084 -24.852 1.00 30.84 ? 1 LEU A CD1 1 ATOM 8 C CD2 . LEU A 1 1 ? -30.525 -20.364 -22.824 1.00 29.62 ? 1 LEU A CD2 1 ATOM 9 N N . ASP A 1 2 ? -31.811 -20.614 -27.670 1.00 36.40 ? 2 ASP A N 1 ATOM 10 C CA . ASP A 1 2 ? -32.442 -21.740 -28.355 1.00 39.11 ? 2 ASP A CA 1 ATOM 11 C C . ASP A 1 2 ? -33.071 -22.725 -27.362 1.00 38.43 ? 2 ASP A C 1 ATOM 12 O O . ASP A 1 2 ? -32.439 -23.074 -26.367 1.00 38.17 ? 2 ASP A O 1 ATOM 13 C CB . ASP A 1 2 ? -31.394 -22.458 -29.206 1.00 43.00 ? 2 ASP A CB 1 ATOM 14 C CG . ASP A 1 2 ? -32.007 -23.321 -30.280 1.00 47.77 ? 2 ASP A CG 1 ATOM 15 O OD1 . ASP A 1 2 ? -32.422 -24.463 -29.975 1.00 49.92 ? 2 ASP A OD1 1 ATOM 16 O OD2 . ASP A 1 2 ? -32.070 -22.850 -31.436 1.00 51.56 ? 2 ASP A OD2 1 ATOM 17 N N . PRO A 1 3 ? -34.323 -23.168 -27.619 1.00 38.09 ? 3 PRO A N 1 ATOM 18 C CA . PRO A 1 3 ? -34.988 -24.100 -26.695 1.00 37.43 ? 3 PRO A CA 1 ATOM 19 C C . PRO A 1 3 ? -34.150 -25.333 -26.323 1.00 36.67 ? 3 PRO A C 1 ATOM 20 O O . PRO A 1 3 ? -34.168 -25.752 -25.169 1.00 36.11 ? 3 PRO A O 1 ATOM 21 C CB . PRO A 1 3 ? -36.263 -24.495 -27.452 1.00 38.15 ? 3 PRO A CB 1 ATOM 22 C CG . PRO A 1 3 ? -36.568 -23.303 -28.293 1.00 38.22 ? 3 PRO A CG 1 ATOM 23 C CD . PRO A 1 3 ? -35.236 -22.713 -28.686 1.00 38.64 ? 3 PRO A CD 1 ATOM 24 N N . GLY A 1 4 ? -33.407 -25.892 -27.278 1.00 37.19 ? 4 GLY A N 1 ATOM 25 C CA . GLY A 1 4 ? -32.471 -26.987 -26.990 1.00 38.05 ? 4 GLY A CA 1 ATOM 26 C C . GLY A 1 4 ? -31.417 -26.675 -25.931 1.00 38.77 ? 4 GLY A C 1 ATOM 27 O O . GLY A 1 4 ? -30.901 -27.581 -25.272 1.00 38.95 ? 4 GLY A O 1 ATOM 28 N N . LEU A 1 5 ? -31.116 -25.391 -25.745 1.00 38.55 ? 5 LEU A N 1 ATOM 29 C CA . LEU A 1 5 ? -30.015 -24.961 -24.873 1.00 37.10 ? 5 LEU A CA 1 ATOM 30 C C . LEU A 1 5 ? -30.481 -24.512 -23.484 1.00 36.71 ? 5 LEU A C 1 ATOM 31 O O . LEU A 1 5 ? -29.665 -24.152 -22.633 1.00 37.08 ? 5 LEU A O 1 ATOM 32 C CB . LEU A 1 5 ? -29.219 -23.840 -25.553 1.00 37.98 ? 5 LEU A CB 1 ATOM 33 C CG . LEU A 1 5 ? -28.468 -24.173 -26.853 1.00 38.49 ? 5 LEU A CG 1 ATOM 34 C CD1 . LEU A 1 5 ? -27.954 -22.906 -27.526 1.00 38.32 ? 5 LEU A CD1 1 ATOM 35 C CD2 . LEU A 1 5 ? -27.330 -25.164 -26.616 1.00 38.06 ? 5 LEU A CD2 1 ATOM 36 N N . GLN A 1 6 ? -31.794 -24.547 -23.265 1.00 34.95 ? 6 GLN A N 1 ATOM 37 C CA . GLN A 1 6 ? -32.396 -24.099 -22.016 1.00 33.76 ? 6 GLN A CA 1 ATOM 38 C C . GLN A 1 6 ? -32.478 -25.259 -21.020 1.00 32.44 ? 6 GLN A C 1 ATOM 39 O O . GLN A 1 6 ? -32.574 -26.404 -21.439 1.00 33.52 ? 6 GLN A O 1 ATOM 40 C CB . GLN A 1 6 ? -33.794 -23.533 -22.304 1.00 34.42 ? 6 GLN A CB 1 ATOM 41 C CG . GLN A 1 6 ? -33.801 -22.405 -23.332 1.00 34.48 ? 6 GLN A CG 1 ATOM 42 C CD . GLN A 1 6 ? -35.169 -21.780 -23.508 1.00 35.74 ? 6 GLN A CD 1 ATOM 43 O OE1 . GLN A 1 6 ? -36.086 -22.045 -22.731 1.00 36.96 ? 6 GLN A OE1 1 ATOM 44 N NE2 . GLN A 1 6 ? -35.318 -20.946 -24.536 1.00 35.02 ? 6 GLN A NE2 1 ATOM 45 N N . PRO A 1 7 ? -32.430 -24.971 -19.703 1.00 31.05 ? 7 PRO A N 1 ATOM 46 C CA . PRO A 1 7 ? -32.574 -26.028 -18.690 1.00 31.12 ? 7 PRO A CA 1 ATOM 47 C C . PRO A 1 7 ? -33.993 -26.583 -18.566 1.00 31.54 ? 7 PRO A C 1 ATOM 48 O O . PRO A 1 7 ? -34.955 -25.832 -18.689 1.00 32.00 ? 7 PRO A O 1 ATOM 49 C CB . PRO A 1 7 ? -32.204 -25.315 -17.385 1.00 30.45 ? 7 PRO A CB 1 ATOM 50 C CG . PRO A 1 7 ? -32.480 -23.870 -17.640 1.00 29.58 ? 7 PRO A CG 1 ATOM 51 C CD . PRO A 1 7 ? -32.137 -23.661 -19.087 1.00 29.97 ? 7 PRO A CD 1 ATOM 52 N N . GLY A 1 8 ? -34.100 -27.884 -18.295 1.00 31.88 ? 8 GLY A N 1 ATOM 53 C CA . GLY A 1 8 ? -35.378 -28.535 -18.009 1.00 32.73 ? 8 GLY A CA 1 ATOM 54 C C . GLY A 1 8 ? -35.659 -28.581 -16.518 1.00 33.33 ? 8 GLY A C 1 ATOM 55 O O . GLY A 1 8 ? -35.383 -27.616 -15.801 1.00 33.14 ? 8 GLY A O 1 ATOM 56 N N . GLN A 1 9 ? -36.213 -29.691 -16.038 1.00 34.02 ? 9 GLN A N 1 ATOM 57 C CA . GLN A 1 9 ? -36.523 -29.807 -14.604 1.00 35.42 ? 9 GLN A CA 1 ATOM 58 C C . GLN A 1 9 ? -35.718 -30.865 -13.884 1.00 33.30 ? 9 GLN A C 1 ATOM 59 O O . GLN A 1 9 ? -35.357 -31.880 -14.465 1.00 33.20 ? 9 GLN A O 1 ATOM 60 C CB . GLN A 1 9 ? -38.024 -30.022 -14.327 1.00 36.50 ? 9 GLN A CB 1 ATOM 61 C CG . GLN A 1 9 ? -38.769 -28.763 -13.869 1.00 39.53 ? 9 GLN A CG 1 ATOM 62 C CD . GLN A 1 9 ? -37.962 -27.818 -12.968 1.00 39.79 ? 9 GLN A CD 1 ATOM 63 O OE1 . GLN A 1 9 ? -37.663 -28.140 -11.808 1.00 39.58 ? 9 GLN A OE1 1 ATOM 64 N NE2 . GLN A 1 9 ? -37.637 -26.625 -13.495 1.00 36.45 ? 9 GLN A NE2 1 ATOM 65 N N . PHE A 1 10 ? -35.457 -30.609 -12.601 1.00 32.84 ? 10 PHE A N 1 ATOM 66 C CA . PHE A 1 10 ? -34.633 -31.477 -11.769 1.00 31.66 ? 10 PHE A CA 1 ATOM 67 C C . PHE A 1 10 ? -35.116 -31.313 -10.344 1.00 31.70 ? 10 PHE A C 1 ATOM 68 O O . PHE A 1 10 ? -35.618 -30.243 -9.976 1.00 31.23 ? 10 PHE A O 1 ATOM 69 C CB . PHE A 1 10 ? -33.158 -31.061 -11.885 1.00 31.68 ? 10 PHE A CB 1 ATOM 70 C CG . PHE A 1 10 ? -32.672 -30.935 -13.306 1.00 31.07 ? 10 PHE A CG 1 ATOM 71 C CD1 . PHE A 1 10 ? -32.235 -32.055 -14.012 1.00 31.70 ? 10 PHE A CD1 1 ATOM 72 C CD2 . PHE A 1 10 ? -32.652 -29.692 -13.945 1.00 31.12 ? 10 PHE A CD2 1 ATOM 73 C CE1 . PHE A 1 10 ? -31.791 -31.939 -15.328 1.00 30.95 ? 10 PHE A CE1 1 ATOM 74 C CE2 . PHE A 1 10 ? -32.213 -29.574 -15.256 1.00 30.32 ? 10 PHE A CE2 1 ATOM 75 C CZ . PHE A 1 10 ? -31.782 -30.696 -15.944 1.00 30.17 ? 10 PHE A CZ 1 ATOM 76 N N . SER A 1 11 ? -34.985 -32.363 -9.540 1.00 31.10 ? 11 SER A N 1 ATOM 77 C CA . SER A 1 11 ? -35.432 -32.295 -8.146 1.00 32.29 ? 11 SER A CA 1 ATOM 78 C C . SER A 1 11 ? -34.520 -31.397 -7.295 1.00 31.61 ? 11 SER A C 1 ATOM 79 O O . SER A 1 11 ? -33.338 -31.239 -7.592 1.00 31.02 ? 11 SER A O 1 ATOM 80 C CB . SER A 1 11 ? -35.566 -33.699 -7.543 1.00 32.59 ? 11 SER A CB 1 ATOM 81 O OG . SER A 1 11 ? -34.346 -34.406 -7.680 1.00 33.80 ? 11 SER A OG 1 ATOM 82 N N . ALA A 1 12 ? -35.103 -30.801 -6.254 1.00 31.99 ? 12 ALA A N 1 ATOM 83 C CA . ALA A 1 12 ? -34.421 -29.829 -5.391 1.00 31.72 ? 12 ALA A CA 1 ATOM 84 C C . ALA A 1 12 ? -33.651 -30.527 -4.259 1.00 31.99 ? 12 ALA A C 1 ATOM 85 O O . ALA A 1 12 ? -33.895 -30.293 -3.058 1.00 31.47 ? 12 ALA A O 1 ATOM 86 C CB . ALA A 1 12 ? -35.432 -28.833 -4.828 1.00 32.30 ? 12 ALA A CB 1 ATOM 87 N N . ASP A 1 13 ? -32.732 -31.397 -4.653 1.00 31.45 ? 13 ASP A N 1 ATOM 88 C CA . ASP A 1 13 ? -31.932 -32.171 -3.702 1.00 32.97 ? 13 ASP A CA 1 ATOM 89 C C . ASP A 1 13 ? -30.679 -32.633 -4.410 1.00 32.32 ? 13 ASP A C 1 ATOM 90 O O . ASP A 1 13 ? -30.580 -32.505 -5.639 1.00 32.28 ? 13 ASP A O 1 ATOM 91 C CB . ASP A 1 13 ? -32.715 -33.374 -3.153 1.00 34.59 ? 13 ASP A CB 1 ATOM 92 C CG . ASP A 1 13 ? -33.302 -34.267 -4.259 1.00 36.45 ? 13 ASP A CG 1 ATOM 93 O OD1 . ASP A 1 13 ? -32.673 -34.432 -5.334 1.00 35.71 ? 13 ASP A OD1 1 ATOM 94 O OD2 . ASP A 1 13 ? -34.400 -34.828 -4.028 1.00 38.42 ? 13 ASP A OD2 1 ATOM 95 N N . GLU A 1 14 ? -29.743 -33.193 -3.642 1.00 32.03 ? 14 GLU A N 1 ATOM 96 C CA . GLU A 1 14 ? -28.441 -33.576 -4.171 1.00 30.90 ? 14 GLU A CA 1 ATOM 97 C C . GLU A 1 14 ? -28.517 -34.482 -5.405 1.00 30.16 ? 14 GLU A C 1 ATOM 98 O O . GLU A 1 14 ? -27.758 -34.313 -6.354 1.00 28.54 ? 14 GLU A O 1 ATOM 99 C CB . GLU A 1 14 ? -27.557 -34.208 -3.083 1.00 31.29 ? 14 GLU A CB 1 ATOM 100 C CG . GLU A 1 14 ? -26.123 -34.373 -3.559 1.00 31.01 ? 14 GLU A CG 1 ATOM 101 C CD . GLU A 1 14 ? -25.118 -34.679 -2.465 1.00 30.82 ? 14 GLU A CD 1 ATOM 102 O OE1 . GLU A 1 14 ? -25.362 -34.365 -1.276 1.00 30.43 ? 14 GLU A OE1 1 ATOM 103 O OE2 . GLU A 1 14 ? -24.062 -35.232 -2.827 1.00 30.42 ? 14 GLU A OE2 1 ATOM 104 N N . ALA A 1 15 ? -29.439 -35.435 -5.387 1.00 30.81 ? 15 ALA A N 1 ATOM 105 C CA . ALA A 1 15 ? -29.565 -36.381 -6.492 1.00 31.70 ? 15 ALA A CA 1 ATOM 106 C C . ALA A 1 15 ? -30.037 -35.675 -7.782 1.00 31.87 ? 15 ALA A C 1 ATOM 107 O O . ALA A 1 15 ? -29.579 -35.996 -8.886 1.00 30.47 ? 15 ALA A O 1 ATOM 108 C CB . ALA A 1 15 ? -30.495 -37.519 -6.096 1.00 31.34 ? 15 ALA A CB 1 ATOM 109 N N . GLY A 1 16 ? -30.951 -34.713 -7.625 1.00 32.02 ? 16 GLY A N 1 ATOM 110 C CA . GLY A 1 16 ? -31.407 -33.874 -8.743 1.00 32.43 ? 16 GLY A CA 1 ATOM 111 C C . GLY A 1 16 ? -30.280 -32.970 -9.213 1.00 31.75 ? 16 GLY A C 1 ATOM 112 O O . GLY A 1 16 ? -30.087 -32.754 -10.421 1.00 30.83 ? 16 GLY A O 1 ATOM 113 N N . ALA A 1 17 ? -29.525 -32.460 -8.241 1.00 30.19 ? 17 ALA A N 1 ATOM 114 C CA . ALA A 1 17 ? -28.314 -31.686 -8.516 1.00 30.09 ? 17 ALA A CA 1 ATOM 115 C C . ALA A 1 17 ? -27.342 -32.429 -9.431 1.00 29.49 ? 17 ALA A C 1 ATOM 116 O O . ALA A 1 17 ? -26.692 -31.798 -10.271 1.00 28.78 ? 17 ALA A O 1 ATOM 117 C CB . ALA A 1 17 ? -27.631 -31.289 -7.217 1.00 29.56 ? 17 ALA A CB 1 ATOM 118 N N . GLN A 1 18 ? -27.243 -33.756 -9.265 1.00 29.23 ? 18 GLN A N 1 ATOM 119 C CA . GLN A 1 18 ? -26.334 -34.558 -10.089 1.00 29.06 ? 18 GLN A CA 1 ATOM 120 C C . GLN A 1 18 ? -26.796 -34.606 -11.550 1.00 28.03 ? 18 GLN A C 1 ATOM 121 O O . GLN A 1 18 ? -25.975 -34.539 -12.457 1.00 27.40 ? 18 GLN A O 1 ATOM 122 C CB . GLN A 1 18 ? -26.128 -35.981 -9.516 1.00 29.69 ? 18 GLN A CB 1 ATOM 123 C CG . GLN A 1 18 ? -25.353 -36.071 -8.194 1.00 30.51 ? 18 GLN A CG 1 ATOM 124 C CD . GLN A 1 18 ? -23.829 -35.934 -8.332 1.00 32.20 ? 18 GLN A CD 1 ATOM 125 O OE1 . GLN A 1 18 ? -23.310 -35.503 -9.367 1.00 31.64 ? 18 GLN A OE1 1 ATOM 126 N NE2 . GLN A 1 18 ? -23.103 -36.300 -7.269 1.00 31.44 ? 18 GLN A NE2 1 ATOM 127 N N . LEU A 1 19 ? -28.109 -34.734 -11.769 1.00 28.38 ? 19 LEU A N 1 ATOM 128 C CA . LEU A 1 19 ? -28.672 -34.765 -13.132 1.00 28.74 ? 19 LEU A CA 1 ATOM 129 C C . LEU A 1 19 ? -28.599 -33.376 -13.801 1.00 28.00 ? 19 LEU A C 1 ATOM 130 O O . LEU A 1 19 ? -28.314 -33.253 -15.003 1.00 25.61 ? 19 LEU A O 1 ATOM 131 C CB . LEU A 1 19 ? -30.123 -35.268 -13.107 1.00 30.05 ? 19 LEU A CB 1 ATOM 132 C CG . LEU A 1 19 ? -30.386 -36.753 -12.773 1.00 31.55 ? 19 LEU A CG 1 ATOM 133 C CD1 . LEU A 1 19 ? -31.823 -36.946 -12.298 1.00 32.42 ? 19 LEU A CD1 1 ATOM 134 C CD2 . LEU A 1 19 ? -30.095 -37.661 -13.968 1.00 31.78 ? 19 LEU A CD2 1 ATOM 135 N N . PHE A 1 20 ? -28.884 -32.345 -13.009 1.00 27.97 ? 20 PHE A N 1 ATOM 136 C CA . PHE A 1 20 ? -28.649 -30.958 -13.410 1.00 28.50 ? 20 PHE A CA 1 ATOM 137 C C . PHE A 1 20 ? -27.221 -30.775 -13.941 1.00 30.25 ? 20 PHE A C 1 ATOM 138 O O . PHE A 1 20 ? -27.027 -30.337 -15.090 1.00 29.41 ? 20 PHE A O 1 ATOM 139 C CB . PHE A 1 20 ? -28.909 -30.030 -12.221 1.00 28.76 ? 20 PHE A CB 1 ATOM 140 C CG . PHE A 1 20 ? -28.700 -28.569 -12.524 1.00 28.35 ? 20 PHE A CG 1 ATOM 141 C CD1 . PHE A 1 20 ? -29.712 -27.809 -13.107 1.00 28.01 ? 20 PHE A CD1 1 ATOM 142 C CD2 . PHE A 1 20 ? -27.494 -27.950 -12.223 1.00 27.43 ? 20 PHE A CD2 1 ATOM 143 C CE1 . PHE A 1 20 ? -29.516 -26.465 -13.390 1.00 27.88 ? 20 PHE A CE1 1 ATOM 144 C CE2 . PHE A 1 20 ? -27.299 -26.604 -12.493 1.00 27.29 ? 20 PHE A CE2 1 ATOM 145 C CZ . PHE A 1 20 ? -28.307 -25.858 -13.079 1.00 27.16 ? 20 PHE A CZ 1 ATOM 146 N N . ALA A 1 21 ? -26.225 -31.147 -13.122 1.00 30.17 ? 21 ALA A N 1 ATOM 147 C CA . ALA A 1 21 ? -24.817 -30.941 -13.490 1.00 31.95 ? 21 ALA A CA 1 ATOM 148 C C . ALA A 1 21 ? -24.480 -31.674 -14.782 1.00 32.33 ? 21 ALA A C 1 ATOM 149 O O . ALA A 1 21 ? -23.775 -31.145 -15.626 1.00 31.14 ? 21 ALA A O 1 ATOM 150 C CB . ALA A 1 21 ? -23.878 -31.369 -12.369 1.00 31.36 ? 21 ALA A CB 1 ATOM 151 N N . GLN A 1 22 ? -25.017 -32.880 -14.937 1.00 34.83 ? 22 GLN A N 1 ATOM 152 C CA . GLN A 1 22 ? -24.773 -33.678 -16.139 1.00 36.65 ? 22 GLN A CA 1 ATOM 153 C C . GLN A 1 22 ? -25.353 -33.002 -17.383 1.00 35.98 ? 22 GLN A C 1 ATOM 154 O O . GLN A 1 22 ? -24.683 -32.898 -18.403 1.00 35.39 ? 22 GLN A O 1 ATOM 155 C CB . GLN A 1 22 ? -25.334 -35.092 -15.977 1.00 39.63 ? 22 GLN A CB 1 ATOM 156 C CG . GLN A 1 22 ? -24.945 -36.017 -17.124 1.00 44.23 ? 22 GLN A CG 1 ATOM 157 C CD . GLN A 1 22 ? -25.244 -37.477 -16.836 1.00 46.81 ? 22 GLN A CD 1 ATOM 158 O OE1 . GLN A 1 22 ? -26.383 -37.847 -16.537 1.00 46.96 ? 22 GLN A OE1 1 ATOM 159 N NE2 . GLN A 1 22 ? -24.218 -38.318 -16.935 1.00 47.71 ? 22 GLN A NE2 1 ATOM 160 N N . SER A 1 23 ? -26.594 -32.528 -17.264 1.00 36.25 ? 23 SER A N 1 ATOM 161 C CA . SER A 1 23 ? -27.322 -31.862 -18.343 1.00 34.98 ? 23 SER A CA 1 ATOM 162 C C . SER A 1 23 ? -26.742 -30.479 -18.694 1.00 33.42 ? 23 SER A C 1 ATOM 163 O O . SER A 1 23 ? -26.658 -30.102 -19.876 1.00 30.63 ? 23 SER A O 1 ATOM 164 C CB . SER A 1 23 ? -28.803 -31.752 -17.947 1.00 36.44 ? 23 SER A CB 1 ATOM 165 O OG . SER A 1 23 ? -29.530 -30.994 -18.889 1.00 38.34 ? 23 SER A OG 1 ATOM 166 N N . TYR A 1 24 ? -26.340 -29.733 -17.663 1.00 33.03 ? 24 TYR A N 1 ATOM 167 C CA . TYR A 1 24 ? -25.660 -28.448 -17.857 1.00 32.89 ? 24 TYR A CA 1 ATOM 168 C C . TYR A 1 24 ? -24.441 -28.579 -18.763 1.00 33.10 ? 24 TYR A C 1 ATOM 169 O O . TYR A 1 24 ? -24.268 -27.803 -19.698 1.00 32.44 ? 24 TYR A O 1 ATOM 170 C CB . TYR A 1 24 ? -25.238 -27.845 -16.512 1.00 33.89 ? 24 TYR A CB 1 ATOM 171 C CG . TYR A 1 24 ? -24.290 -26.662 -16.638 1.00 33.79 ? 24 TYR A CG 1 ATOM 172 C CD1 . TYR A 1 24 ? -24.764 -25.412 -17.036 1.00 34.07 ? 24 TYR A CD1 1 ATOM 173 C CD2 . TYR A 1 24 ? -22.920 -26.795 -16.365 1.00 34.33 ? 24 TYR A CD2 1 ATOM 174 C CE1 . TYR A 1 24 ? -23.910 -24.325 -17.157 1.00 34.39 ? 24 TYR A CE1 1 ATOM 175 C CE2 . TYR A 1 24 ? -22.054 -25.707 -16.482 1.00 33.94 ? 24 TYR A CE2 1 ATOM 176 C CZ . TYR A 1 24 ? -22.557 -24.477 -16.878 1.00 34.33 ? 24 TYR A CZ 1 ATOM 177 O OH . TYR A 1 24 ? -21.738 -23.379 -17.000 1.00 33.70 ? 24 TYR A OH 1 ATOM 178 N N . GLN A 1 25 ? -23.608 -29.576 -18.468 1.00 34.08 ? 25 GLN A N 1 ATOM 179 C CA . GLN A 1 25 ? -22.335 -29.768 -19.157 1.00 35.10 ? 25 GLN A CA 1 ATOM 180 C C . GLN A 1 25 ? -22.534 -30.184 -20.612 1.00 35.53 ? 25 GLN A C 1 ATOM 181 O O . GLN A 1 25 ? -21.772 -29.790 -21.486 1.00 36.27 ? 25 GLN A O 1 ATOM 182 C CB . GLN A 1 25 ? -21.449 -30.762 -18.384 1.00 35.14 ? 25 GLN A CB 1 ATOM 183 C CG . GLN A 1 25 ? -20.948 -30.187 -17.069 1.00 35.41 ? 25 GLN A CG 1 ATOM 184 C CD . GLN A 1 25 ? -20.228 -31.190 -16.198 1.00 38.26 ? 25 GLN A CD 1 ATOM 185 O OE1 . GLN A 1 25 ? -20.855 -32.014 -15.527 1.00 38.53 ? 25 GLN A OE1 1 ATOM 186 N NE2 . GLN A 1 25 ? -18.896 -31.099 -16.168 1.00 36.97 ? 25 GLN A NE2 1 ATOM 187 N N . SER A 1 26 ? -23.588 -30.947 -20.863 1.00 36.52 ? 26 SER A N 1 ATOM 188 C CA . SER A 1 26 ? -23.929 -31.382 -22.214 1.00 39.15 ? 26 SER A CA 1 ATOM 189 C C . SER A 1 26 ? -24.240 -30.189 -23.125 1.00 39.50 ? 26 SER A C 1 ATOM 190 O O . SER A 1 26 ? -23.751 -30.121 -24.250 1.00 41.05 ? 26 SER A O 1 ATOM 191 C CB . SER A 1 26 ? -25.106 -32.361 -22.162 1.00 39.39 ? 26 SER A CB 1 ATOM 192 O OG . SER A 1 26 ? -25.418 -32.857 -23.449 1.00 41.87 ? 26 SER A OG 1 ATOM 193 N N . SER A 1 27 ? -25.032 -29.242 -22.620 1.00 40.04 ? 27 SER A N 1 ATOM 194 C CA . SER A 1 27 ? -25.386 -28.039 -23.380 1.00 40.13 ? 27 SER A CA 1 ATOM 195 C C . SER A 1 27 ? -24.258 -27.009 -23.448 1.00 38.20 ? 27 SER A C 1 ATOM 196 O O . SER A 1 27 ? -24.083 -26.342 -24.476 1.00 37.89 ? 27 SER A O 1 ATOM 197 C CB . SER A 1 27 ? -26.656 -27.397 -22.815 1.00 39.87 ? 27 SER A CB 1 ATOM 198 O OG . SER A 1 27 ? -27.807 -28.058 -23.311 1.00 42.54 ? 27 SER A OG 1 ATOM 199 N N . ALA A 1 28 ? -23.499 -26.883 -22.361 1.00 36.42 ? 28 ALA A N 1 ATOM 200 C CA . ALA A 1 28 ? -22.431 -25.875 -22.284 1.00 35.04 ? 28 ALA A CA 1 ATOM 201 C C . ALA A 1 28 ? -21.421 -26.023 -23.418 1.00 34.63 ? 28 ALA A C 1 ATOM 202 O O . ALA A 1 28 ? -20.898 -25.035 -23.920 1.00 33.87 ? 28 ALA A O 1 ATOM 203 C CB . ALA A 1 28 ? -21.736 -25.920 -20.931 1.00 33.17 ? 28 ALA A CB 1 ATOM 204 N N . GLU A 1 29 ? -21.184 -27.263 -23.838 1.00 35.89 ? 29 GLU A N 1 ATOM 205 C CA . GLU A 1 29 ? -20.202 -27.564 -24.874 1.00 35.56 ? 29 GLU A CA 1 ATOM 206 C C . GLU A 1 29 ? -20.428 -26.805 -26.190 1.00 34.95 ? 29 GLU A C 1 ATOM 207 O O . GLU A 1 29 ? -19.477 -26.261 -26.756 1.00 33.83 ? 29 GLU A O 1 ATOM 208 C CB . GLU A 1 29 ? -20.137 -29.077 -25.111 1.00 37.95 ? 29 GLU A CB 1 ATOM 209 C CG . GLU A 1 29 ? -18.851 -29.537 -25.760 1.00 38.82 ? 29 GLU A CG 1 ATOM 210 C CD . GLU A 1 29 ? -18.592 -31.020 -25.576 1.00 40.85 ? 29 GLU A CD 1 ATOM 211 O OE1 . GLU A 1 29 ? -19.576 -31.778 -25.383 1.00 42.67 ? 29 GLU A OE1 1 ATOM 212 O OE2 . GLU A 1 29 ? -17.406 -31.427 -25.617 1.00 37.97 ? 29 GLU A OE2 1 ATOM 213 N N . GLN A 1 30 ? -21.677 -26.771 -26.667 1.00 35.60 ? 30 GLN A N 1 ATOM 214 C CA . GLN A 1 30 ? -22.047 -26.055 -27.908 1.00 34.54 ? 30 GLN A CA 1 ATOM 215 C C . GLN A 1 30 ? -21.927 -24.535 -27.761 1.00 32.38 ? 30 GLN A C 1 ATOM 216 O O . GLN A 1 30 ? -21.573 -23.833 -28.711 1.00 30.29 ? 30 GLN A O 1 ATOM 217 C CB . GLN A 1 30 ? -23.499 -26.345 -28.319 1.00 38.27 ? 30 GLN A CB 1 ATOM 218 C CG . GLN A 1 30 ? -23.938 -27.802 -28.308 1.00 42.39 ? 30 GLN A CG 1 ATOM 219 C CD . GLN A 1 30 ? -25.381 -27.961 -28.770 1.00 46.18 ? 30 GLN A CD 1 ATOM 220 O OE1 . GLN A 1 30 ? -25.748 -27.538 -29.873 1.00 46.97 ? 30 GLN A OE1 1 ATOM 221 N NE2 . GLN A 1 30 ? -26.211 -28.563 -27.922 1.00 47.01 ? 30 GLN A NE2 1 ATOM 222 N N . VAL A 1 31 ? -22.290 -24.037 -26.580 1.00 30.79 ? 31 VAL A N 1 ATOM 223 C CA . VAL A 1 31 ? -22.230 -22.609 -26.297 1.00 30.41 ? 31 VAL A CA 1 ATOM 224 C C . VAL A 1 31 ? -20.751 -22.190 -26.261 1.00 29.74 ? 31 VAL A C 1 ATOM 225 O O . VAL A 1 31 ? -20.368 -21.215 -26.898 1.00 29.41 ? 31 VAL A O 1 ATOM 226 C CB . VAL A 1 31 ? -22.972 -22.259 -24.986 1.00 30.20 ? 31 VAL A CB 1 ATOM 227 C CG1 . VAL A 1 31 ? -22.783 -20.793 -24.622 1.00 29.35 ? 31 VAL A CG1 1 ATOM 228 C CG2 . VAL A 1 31 ? -24.458 -22.576 -25.134 1.00 30.43 ? 31 VAL A CG2 1 ATOM 229 N N . LEU A 1 32 ? -19.934 -22.961 -25.542 1.00 29.09 ? 32 LEU A N 1 ATOM 230 C CA . LEU A 1 32 ? -18.486 -22.741 -25.511 1.00 28.95 ? 32 LEU A CA 1 ATOM 231 C C . LEU A 1 32 ? -17.895 -22.735 -26.923 1.00 28.25 ? 32 LEU A C 1 ATOM 232 O O . LEU A 1 32 ? -17.178 -21.820 -27.288 1.00 28.17 ? 32 LEU A O 1 ATOM 233 C CB . LEU A 1 32 ? -17.798 -23.761 -24.598 1.00 28.34 ? 32 LEU A CB 1 ATOM 234 C CG . LEU A 1 32 ? -18.042 -23.490 -23.108 1.00 29.52 ? 32 LEU A CG 1 ATOM 235 C CD1 . LEU A 1 32 ? -17.723 -24.709 -22.260 1.00 29.45 ? 32 LEU A CD1 1 ATOM 236 C CD2 . LEU A 1 32 ? -17.265 -22.266 -22.621 1.00 28.98 ? 32 LEU A CD2 1 ATOM 237 N N . PHE A 1 33 ? -18.256 -23.716 -27.744 1.00 29.33 ? 33 PHE A N 1 ATOM 238 C CA . PHE A 1 33 ? -17.767 -23.753 -29.120 1.00 29.49 ? 33 PHE A CA 1 ATOM 239 C C . PHE A 1 33 ? -18.033 -22.476 -29.951 1.00 29.09 ? 33 PHE A C 1 ATOM 240 O O . PHE A 1 33 ? -17.120 -21.970 -30.601 1.00 27.06 ? 33 PHE A O 1 ATOM 241 C CB . PHE A 1 33 ? -18.258 -25.009 -29.866 1.00 30.77 ? 33 PHE A CB 1 ATOM 242 C CG . PHE A 1 33 ? -17.909 -25.004 -31.324 1.00 32.26 ? 33 PHE A CG 1 ATOM 243 C CD1 . PHE A 1 33 ? -16.649 -25.403 -31.751 1.00 31.96 ? 33 PHE A CD1 1 ATOM 244 C CD2 . PHE A 1 33 ? -18.828 -24.552 -32.276 1.00 33.52 ? 33 PHE A CD2 1 ATOM 245 C CE1 . PHE A 1 33 ? -16.308 -25.366 -33.094 1.00 32.73 ? 33 PHE A CE1 1 ATOM 246 C CE2 . PHE A 1 33 ? -18.491 -24.516 -33.620 1.00 33.85 ? 33 PHE A CE2 1 ATOM 247 C CZ . PHE A 1 33 ? -17.231 -24.933 -34.030 1.00 34.34 ? 33 PHE A CZ 1 ATOM 248 N N . GLN A 1 34 ? -19.278 -21.981 -29.958 1.00 28.77 ? 34 GLN A N 1 ATOM 249 C CA . GLN A 1 34 ? -19.631 -20.805 -30.781 1.00 28.65 ? 34 GLN A CA 1 ATOM 250 C C . GLN A 1 34 ? -18.913 -19.546 -30.293 1.00 27.17 ? 34 GLN A C 1 ATOM 251 O O . GLN A 1 34 ? -18.531 -18.702 -31.084 1.00 26.96 ? 34 GLN A O 1 ATOM 252 C CB . GLN A 1 34 ? -21.161 -20.579 -30.859 1.00 29.73 ? 34 GLN A CB 1 ATOM 253 C CG . GLN A 1 34 ? -21.867 -20.245 -29.537 1.00 30.72 ? 34 GLN A CG 1 ATOM 254 C CD . GLN A 1 34 ? -22.009 -18.742 -29.257 1.00 31.42 ? 34 GLN A CD 1 ATOM 255 O OE1 . GLN A 1 34 ? -22.375 -17.959 -30.141 1.00 32.55 ? 34 GLN A OE1 1 ATOM 256 N NE2 . GLN A 1 34 ? -21.758 -18.344 -28.009 1.00 30.63 ? 34 GLN A NE2 1 ATOM 257 N N . SER A 1 35 ? -18.744 -19.444 -28.980 1.00 26.67 ? 35 SER A N 1 ATOM 258 C CA . SER A 1 35 ? -18.004 -18.348 -28.371 1.00 27.41 ? 35 SER A CA 1 ATOM 259 C C . SER A 1 35 ? -16.532 -18.365 -28.838 1.00 26.16 ? 35 SER A C 1 ATOM 260 O O . SER A 1 35 ? -16.034 -17.375 -29.378 1.00 25.62 ? 35 SER A O 1 ATOM 261 C CB . SER A 1 35 ? -18.123 -18.440 -26.847 1.00 27.69 ? 35 SER A CB 1 ATOM 262 O OG . SER A 1 35 ? -17.311 -17.475 -26.215 1.00 30.54 ? 35 SER A OG 1 ATOM 263 N N . VAL A 1 36 ? -15.858 -19.501 -28.679 1.00 25.12 ? 36 VAL A N 1 ATOM 264 C CA . VAL A 1 36 ? -14.446 -19.599 -29.072 1.00 24.69 ? 36 VAL A CA 1 ATOM 265 C C . VAL A 1 36 ? -14.258 -19.347 -30.575 1.00 24.90 ? 36 VAL A C 1 ATOM 266 O O . VAL A 1 36 ? -13.350 -18.612 -30.977 1.00 24.37 ? 36 VAL A O 1 ATOM 267 C CB . VAL A 1 36 ? -13.818 -20.936 -28.616 1.00 24.41 ? 36 VAL A CB 1 ATOM 268 C CG1 . VAL A 1 36 ? -12.352 -21.013 -29.006 1.00 24.59 ? 36 VAL A CG1 1 ATOM 269 C CG2 . VAL A 1 36 ? -13.949 -21.096 -27.105 1.00 24.57 ? 36 VAL A CG2 1 ATOM 270 N N . ALA A 1 37 ? -15.147 -19.909 -31.403 1.00 25.78 ? 37 ALA A N 1 ATOM 271 C CA . ALA A 1 37 ? -15.053 -19.730 -32.858 1.00 26.29 ? 37 ALA A CA 1 ATOM 272 C C . ALA A 1 37 ? -15.157 -18.253 -33.242 1.00 25.95 ? 37 ALA A C 1 ATOM 273 O O . ALA A 1 37 ? -14.364 -17.733 -34.048 1.00 24.97 ? 37 ALA A O 1 ATOM 274 C CB . ALA A 1 37 ? -16.119 -20.566 -33.573 1.00 27.37 ? 37 ALA A CB 1 ATOM 275 N N . ALA A 1 38 ? -16.128 -17.572 -32.638 1.00 26.55 ? 38 ALA A N 1 ATOM 276 C CA . ALA A 1 38 ? -16.324 -16.145 -32.889 1.00 26.70 ? 38 ALA A CA 1 ATOM 277 C C . ALA A 1 38 ? -15.096 -15.338 -32.446 1.00 25.76 ? 38 ALA A C 1 ATOM 278 O O . ALA A 1 38 ? -14.681 -14.412 -33.147 1.00 26.38 ? 38 ALA A O 1 ATOM 279 C CB . ALA A 1 38 ? -17.598 -15.645 -32.199 1.00 26.65 ? 38 ALA A CB 1 ATOM 280 N N . SER A 1 39 ? -14.511 -15.691 -31.300 1.00 25.34 ? 39 SER A N 1 ATOM 281 C CA . SER A 1 39 ? -13.273 -15.023 -30.857 1.00 25.45 ? 39 SER A CA 1 ATOM 282 C C . SER A 1 39 ? -12.113 -15.262 -31.822 1.00 25.18 ? 39 SER A C 1 ATOM 283 O O . SER A 1 39 ? -11.353 -14.344 -32.125 1.00 24.74 ? 39 SER A O 1 ATOM 284 C CB . SER A 1 39 ? -12.869 -15.445 -29.447 1.00 25.06 ? 39 SER A CB 1 ATOM 285 O OG . SER A 1 39 ? -13.790 -14.938 -28.494 1.00 27.39 ? 39 SER A OG 1 ATOM 286 N N . TRP A 1 40 ? -11.979 -16.499 -32.285 1.00 25.27 ? 40 TRP A N 1 ATOM 287 C CA . TRP A 1 40 ? -10.909 -16.857 -33.218 1.00 25.96 ? 40 TRP A CA 1 ATOM 288 C C . TRP A 1 40 ? -11.022 -16.029 -34.485 1.00 27.20 ? 40 TRP A C 1 ATOM 289 O O . TRP A 1 40 ? -10.041 -15.427 -34.935 1.00 26.85 ? 40 TRP A O 1 ATOM 290 C CB . TRP A 1 40 ? -10.967 -18.349 -33.561 1.00 26.23 ? 40 TRP A CB 1 ATOM 291 C CG . TRP A 1 40 ? -9.903 -18.749 -34.548 1.00 26.43 ? 40 TRP A CG 1 ATOM 292 C CD1 . TRP A 1 40 ? -10.036 -18.848 -35.915 1.00 27.23 ? 40 TRP A CD1 1 ATOM 293 C CD2 . TRP A 1 40 ? -8.541 -19.069 -34.253 1.00 25.74 ? 40 TRP A CD2 1 ATOM 294 N NE1 . TRP A 1 40 ? -8.837 -19.215 -36.483 1.00 26.29 ? 40 TRP A NE1 1 ATOM 295 C CE2 . TRP A 1 40 ? -7.906 -19.373 -35.486 1.00 26.01 ? 40 TRP A CE2 1 ATOM 296 C CE3 . TRP A 1 40 ? -7.791 -19.145 -33.063 1.00 25.04 ? 40 TRP A CE3 1 ATOM 297 C CZ2 . TRP A 1 40 ? -6.551 -19.731 -35.564 1.00 26.01 ? 40 TRP A CZ2 1 ATOM 298 C CZ3 . TRP A 1 40 ? -6.456 -19.520 -33.140 1.00 25.16 ? 40 TRP A CZ3 1 ATOM 299 C CH2 . TRP A 1 40 ? -5.843 -19.797 -34.388 1.00 25.14 ? 40 TRP A CH2 1 ATOM 300 N N . ALA A 1 41 ? -12.233 -16.006 -35.049 1.00 28.29 ? 41 ALA A N 1 ATOM 301 C CA . ALA A 1 41 ? -12.526 -15.265 -36.268 1.00 29.65 ? 41 ALA A CA 1 ATOM 302 C C . ALA A 1 41 ? -12.122 -13.807 -36.132 1.00 29.68 ? 41 ALA A C 1 ATOM 303 O O . ALA A 1 41 ? -11.588 -13.227 -37.067 1.00 30.62 ? 41 ALA A O 1 ATOM 304 C CB . ALA A 1 41 ? -14.003 -15.387 -36.628 1.00 30.47 ? 41 ALA A CB 1 ATOM 305 N N . HIS A 1 42 ? -12.352 -13.227 -34.958 1.00 29.28 ? 42 HIS A N 1 ATOM 306 C CA . HIS A 1 42 ? -11.950 -11.846 -34.710 1.00 29.62 ? 42 HIS A CA 1 ATOM 307 C C . HIS A 1 42 ? -10.437 -11.688 -34.477 1.00 28.76 ? 42 HIS A C 1 ATOM 308 O O . HIS A 1 42 ? -9.790 -10.823 -35.075 1.00 28.02 ? 42 HIS A O 1 ATOM 309 C CB . HIS A 1 42 ? -12.726 -11.259 -33.526 1.00 30.39 ? 42 HIS A CB 1 ATOM 310 C CG . HIS A 1 42 ? -12.315 -9.863 -33.175 1.00 32.31 ? 42 HIS A CG 1 ATOM 311 N ND1 . HIS A 1 42 ? -11.371 -9.584 -32.205 1.00 33.22 ? 42 HIS A ND1 1 ATOM 312 C CD2 . HIS A 1 42 ? -12.706 -8.665 -33.675 1.00 32.76 ? 42 HIS A CD2 1 ATOM 313 C CE1 . HIS A 1 42 ? -11.210 -8.274 -32.115 1.00 33.70 ? 42 HIS A CE1 1 ATOM 314 N NE2 . HIS A 1 42 ? -12.008 -7.694 -32.997 1.00 33.79 ? 42 HIS A NE2 1 ATOM 315 N N . ASP A 1 43 ? -9.876 -12.511 -33.597 1.00 27.42 ? 43 ASP A N 1 ATOM 316 C CA . ASP A 1 43 ? -8.474 -12.328 -33.198 1.00 26.76 ? 43 ASP A CA 1 ATOM 317 C C . ASP A 1 43 ? -7.463 -12.603 -34.320 1.00 26.75 ? 43 ASP A C 1 ATOM 318 O O . ASP A 1 43 ? -6.354 -12.083 -34.290 1.00 26.24 ? 43 ASP A O 1 ATOM 319 C CB . ASP A 1 43 ? -8.147 -13.186 -31.975 1.00 26.92 ? 43 ASP A CB 1 ATOM 320 C CG . ASP A 1 43 ? -8.785 -12.656 -30.702 1.00 27.61 ? 43 ASP A CG 1 ATOM 321 O OD1 . ASP A 1 43 ? -9.571 -11.689 -30.768 1.00 27.20 ? 43 ASP A OD1 1 ATOM 322 O OD2 . ASP A 1 43 ? -8.497 -13.220 -29.629 1.00 28.71 ? 43 ASP A OD2 1 ATOM 323 N N . THR A 1 44 ? -7.851 -13.427 -35.288 1.00 26.69 ? 44 THR A N 1 ATOM 324 C CA . THR A 1 44 ? -7.011 -13.700 -36.448 1.00 28.04 ? 44 THR A CA 1 ATOM 325 C C . THR A 1 44 ? -7.359 -12.805 -37.627 1.00 29.94 ? 44 THR A C 1 ATOM 326 O O . THR A 1 44 ? -6.816 -12.981 -38.725 1.00 31.49 ? 44 THR A O 1 ATOM 327 C CB . THR A 1 44 ? -7.145 -15.158 -36.927 1.00 27.72 ? 44 THR A CB 1 ATOM 328 O OG1 . THR A 1 44 ? -8.514 -15.427 -37.247 1.00 26.81 ? 44 THR A OG1 1 ATOM 329 C CG2 . THR A 1 44 ? -6.662 -16.129 -35.860 1.00 26.60 ? 44 THR A CG2 1 ATOM 330 N N . ASN A 1 45 ? -8.299 -11.875 -37.454 1.00 31.10 ? 45 ASN A N 1 ATOM 331 C CA . ASN A 1 45 ? -8.795 -11.044 -38.555 1.00 32.96 ? 45 ASN A CA 1 ATOM 332 C C . ASN A 1 45 ? -9.688 -9.955 -37.974 1.00 32.46 ? 45 ASN A C 1 ATOM 333 O O . ASN A 1 45 ? -10.918 -10.054 -37.996 1.00 33.21 ? 45 ASN A O 1 ATOM 334 C CB . ASN A 1 45 ? -9.531 -11.935 -39.570 1.00 34.91 ? 45 ASN A CB 1 ATOM 335 C CG . ASN A 1 45 ? -10.137 -11.167 -40.730 1.00 36.49 ? 45 ASN A CG 1 ATOM 336 O OD1 . ASN A 1 45 ? -9.754 -10.036 -41.040 1.00 36.38 ? 45 ASN A OD1 1 ATOM 337 N ND2 . ASN A 1 45 ? -11.099 -11.801 -41.382 1.00 38.99 ? 45 ASN A ND2 1 ATOM 338 N N . ILE A 1 46 ? -9.030 -8.919 -37.395 1.00 31.96 ? 46 ILE A N 1 ATOM 339 C CA . ILE A 1 46 ? -9.711 -7.882 -36.634 1.00 32.74 ? 46 ILE A CA 1 ATOM 340 C C . ILE A 1 46 ? -10.450 -6.974 -37.617 1.00 33.85 ? 46 ILE A C 1 ATOM 341 O O . ILE A 1 46 ? -9.827 -6.274 -38.415 1.00 34.78 ? 46 ILE A O 1 ATOM 342 C CB . ILE A 1 46 ? -8.736 -7.066 -35.748 1.00 31.83 ? 46 ILE A CB 1 ATOM 343 C CG1 . ILE A 1 46 ? -7.875 -7.989 -34.869 1.00 31.97 ? 46 ILE A CG1 1 ATOM 344 C CG2 . ILE A 1 46 ? -9.498 -6.068 -34.880 1.00 30.99 ? 46 ILE A CG2 1 ATOM 345 C CD1 . ILE A 1 46 ? -6.762 -7.276 -34.114 1.00 30.28 ? 46 ILE A CD1 1 ATOM 346 N N . THR A 1 47 ? -11.778 -7.050 -37.588 1.00 33.83 ? 47 THR A N 1 ATOM 347 C CA . THR A 1 47 ? -12.641 -6.184 -38.396 1.00 34.84 ? 47 THR A CA 1 ATOM 348 C C . THR A 1 47 ? -13.844 -5.806 -37.550 1.00 34.15 ? 47 THR A C 1 ATOM 349 O O . THR A 1 47 ? -14.126 -6.452 -36.531 1.00 33.27 ? 47 THR A O 1 ATOM 350 C CB . THR A 1 47 ? -13.151 -6.862 -39.699 1.00 34.94 ? 47 THR A CB 1 ATOM 351 O OG1 . THR A 1 47 ? -14.101 -7.887 -39.380 1.00 34.90 ? 47 THR A OG1 1 ATOM 352 C CG2 . THR A 1 47 ? -12.015 -7.453 -40.528 1.00 35.33 ? 47 THR A CG2 1 ATOM 353 N N . ALA A 1 48 ? -14.559 -4.768 -37.980 1.00 35.23 ? 48 ALA A N 1 ATOM 354 C CA . ALA A 1 48 ? -15.763 -4.323 -37.284 1.00 34.92 ? 48 ALA A CA 1 ATOM 355 C C . ALA A 1 48 ? -16.845 -5.392 -37.320 1.00 34.88 ? 48 ALA A C 1 ATOM 356 O O . ALA A 1 48 ? -17.536 -5.606 -36.333 1.00 35.82 ? 48 ALA A O 1 ATOM 357 C CB . ALA A 1 48 ? -16.273 -3.018 -37.879 1.00 36.46 ? 48 ALA A CB 1 ATOM 358 N N . GLU A 1 49 ? -16.972 -6.074 -38.453 1.00 36.14 ? 49 GLU A N 1 ATOM 359 C CA . GLU A 1 49 ? -17.975 -7.122 -38.608 1.00 38.92 ? 49 GLU A CA 1 ATOM 360 C C . GLU A 1 49 ? -17.622 -8.343 -37.749 1.00 37.04 ? 49 GLU A C 1 ATOM 361 O O . GLU A 1 49 ? -18.507 -8.983 -37.188 1.00 36.94 ? 49 GLU A O 1 ATOM 362 C CB . GLU A 1 49 ? -18.162 -7.480 -40.090 1.00 42.17 ? 49 GLU A CB 1 ATOM 363 C CG . GLU A 1 49 ? -19.291 -8.459 -40.404 1.00 47.30 ? 49 GLU A CG 1 ATOM 364 C CD . GLU A 1 49 ? -20.639 -8.086 -39.790 1.00 49.61 ? 49 GLU A CD 1 ATOM 365 O OE1 . GLU A 1 49 ? -21.237 -7.066 -40.203 1.00 52.21 ? 49 GLU A OE1 1 ATOM 366 O OE2 . GLU A 1 49 ? -21.115 -8.832 -38.903 1.00 50.40 ? 49 GLU A OE2 1 ATOM 367 N N . ASN A 1 50 ? -16.332 -8.648 -37.624 1.00 35.43 ? 50 ASN A N 1 ATOM 368 C CA . ASN A 1 50 ? -15.904 -9.741 -36.743 1.00 33.06 ? 50 ASN A CA 1 ATOM 369 C C . ASN A 1 50 ? -16.080 -9.434 -35.238 1.00 30.33 ? 50 ASN A C 1 ATOM 370 O O . ASN A 1 50 ? -16.429 -10.309 -34.464 1.00 30.10 ? 50 ASN A O 1 ATOM 371 C CB . ASN A 1 50 ? -14.484 -10.217 -37.090 1.00 33.45 ? 50 ASN A CB 1 ATOM 372 C CG . ASN A 1 50 ? -14.424 -10.959 -38.425 1.00 34.81 ? 50 ASN A CG 1 ATOM 373 O OD1 . ASN A 1 50 ? -15.435 -11.485 -38.910 1.00 35.41 ? 50 ASN A OD1 1 ATOM 374 N ND2 . ASN A 1 50 ? -13.236 -11.015 -39.021 1.00 34.27 ? 50 ASN A ND2 1 ATOM 375 N N . ALA A 1 51 ? -15.867 -8.185 -34.839 1.00 30.95 ? 51 ALA A N 1 ATOM 376 C CA . ALA A 1 51 ? -16.095 -7.765 -33.451 1.00 30.02 ? 51 ALA A CA 1 ATOM 377 C C . ALA A 1 51 ? -17.587 -7.857 -33.078 1.00 30.69 ? 51 ALA A C 1 ATOM 378 O O . ALA A 1 51 ? -17.952 -8.372 -32.015 1.00 29.22 ? 51 ALA A O 1 ATOM 379 C CB . ALA A 1 51 ? -15.568 -6.357 -33.243 1.00 30.43 ? 51 ALA A CB 1 ATOM 380 N N . ARG A 1 52 ? -18.440 -7.372 -33.977 1.00 31.82 ? 52 ARG A N 1 ATOM 381 C CA . ARG A 1 52 ? -19.889 -7.452 -33.818 1.00 33.82 ? 52 ARG A CA 1 ATOM 382 C C . ARG A 1 52 ? -20.328 -8.901 -33.598 1.00 31.93 ? 52 ARG A C 1 ATOM 383 O O . ARG A 1 52 ? -21.048 -9.202 -32.642 1.00 29.73 ? 52 ARG A O 1 ATOM 384 C CB . ARG A 1 52 ? -20.559 -6.823 -35.043 1.00 38.55 ? 52 ARG A CB 1 ATOM 385 C CG . ARG A 1 52 ? -22.074 -6.905 -35.109 1.00 44.98 ? 52 ARG A CG 1 ATOM 386 C CD . ARG A 1 52 ? -22.529 -6.466 -36.495 1.00 50.63 ? 52 ARG A CD 1 ATOM 387 N NE . ARG A 1 52 ? -23.929 -6.781 -36.771 1.00 57.38 ? 52 ARG A NE 1 ATOM 388 C CZ . ARG A 1 52 ? -24.369 -7.956 -37.220 1.00 60.72 ? 52 ARG A CZ 1 ATOM 389 N NH1 . ARG A 1 52 ? -23.522 -8.963 -37.438 1.00 59.86 ? 52 ARG A NH1 1 ATOM 390 N NH2 . ARG A 1 52 ? -25.670 -8.127 -37.445 1.00 62.94 ? 52 ARG A NH2 1 ATOM 391 N N . ARG A 1 53 ? -19.853 -9.809 -34.452 1.00 32.70 ? 53 ARG A N 1 ATOM 392 C CA . ARG A 1 53 ? -20.180 -11.229 -34.308 1.00 32.18 ? 53 ARG A CA 1 ATOM 393 C C . ARG A 1 53 ? -19.685 -11.810 -32.978 1.00 30.11 ? 53 ARG A C 1 ATOM 394 O O . ARG A 1 53 ? -20.387 -12.586 -32.330 1.00 28.93 ? 53 ARG A O 1 ATOM 395 C CB . ARG A 1 53 ? -19.644 -12.044 -35.492 1.00 35.50 ? 53 ARG A CB 1 ATOM 396 C CG . ARG A 1 53 ? -20.401 -11.831 -36.790 1.00 39.52 ? 53 ARG A CG 1 ATOM 397 C CD . ARG A 1 53 ? -19.893 -12.776 -37.865 1.00 43.54 ? 53 ARG A CD 1 ATOM 398 N NE . ARG A 1 53 ? -20.405 -12.416 -39.188 1.00 48.54 ? 53 ARG A NE 1 ATOM 399 C CZ . ARG A 1 53 ? -19.673 -11.876 -40.156 1.00 48.50 ? 53 ARG A CZ 1 ATOM 400 N NH1 . ARG A 1 53 ? -18.379 -11.635 -39.966 1.00 48.87 ? 53 ARG A NH1 1 ATOM 401 N NH2 . ARG A 1 53 ? -20.235 -11.583 -41.321 1.00 51.37 ? 53 ARG A NH2 1 ATOM 402 N N . GLN A 1 54 ? -18.484 -11.418 -32.567 1.00 28.87 ? 54 GLN A N 1 ATOM 403 C CA . GLN A 1 54 ? -17.945 -11.831 -31.268 1.00 28.69 ? 54 GLN A CA 1 ATOM 404 C C . GLN A 1 54 ? -18.824 -11.293 -30.121 1.00 27.48 ? 54 GLN A C 1 ATOM 405 O O . GLN A 1 54 ? -19.117 -12.007 -29.166 1.00 26.38 ? 54 GLN A O 1 ATOM 406 C CB . GLN A 1 54 ? -16.477 -11.383 -31.127 1.00 28.54 ? 54 GLN A CB 1 ATOM 407 C CG . GLN A 1 54 ? -15.722 -12.006 -29.953 1.00 29.17 ? 54 GLN A CG 1 ATOM 408 C CD . GLN A 1 54 ? -16.069 -11.345 -28.630 1.00 29.45 ? 54 GLN A CD 1 ATOM 409 O OE1 . GLN A 1 54 ? -16.186 -10.121 -28.552 1.00 30.69 ? 54 GLN A OE1 1 ATOM 410 N NE2 . GLN A 1 54 ? -16.259 -12.150 -27.593 1.00 28.17 ? 54 GLN A NE2 1 ATOM 411 N N . GLU A 1 55 ? -19.274 -10.049 -30.235 1.00 28.93 ? 55 GLU A N 1 ATOM 412 C CA . GLU A 1 55 ? -20.161 -9.482 -29.209 1.00 30.20 ? 55 GLU A CA 1 ATOM 413 C C . GLU A 1 55 ? -21.515 -10.192 -29.147 1.00 30.63 ? 55 GLU A C 1 ATOM 414 O O . GLU A 1 55 ? -22.075 -10.363 -28.071 1.00 29.50 ? 55 GLU A O 1 ATOM 415 C CB . GLU A 1 55 ? -20.336 -7.987 -29.411 1.00 32.10 ? 55 GLU A CB 1 ATOM 416 C CG . GLU A 1 55 ? -19.053 -7.214 -29.145 1.00 34.50 ? 55 GLU A CG 1 ATOM 417 C CD . GLU A 1 55 ? -19.191 -5.741 -29.458 1.00 37.13 ? 55 GLU A CD 1 ATOM 418 O OE1 . GLU A 1 55 ? -20.289 -5.181 -29.242 1.00 38.16 ? 55 GLU A OE1 1 ATOM 419 O OE2 . GLU A 1 55 ? -18.201 -5.144 -29.920 1.00 37.16 ? 55 GLU A OE2 1 ATOM 420 N N . GLU A 1 56 ? -22.016 -10.631 -30.300 1.00 32.77 ? 56 GLU A N 1 ATOM 421 C CA . GLU A 1 56 ? -23.252 -11.410 -30.344 1.00 33.70 ? 56 GLU A CA 1 ATOM 422 C C . GLU A 1 56 ? -23.072 -12.791 -29.711 1.00 32.67 ? 56 GLU A C 1 ATOM 423 O O . GLU A 1 56 ? -23.947 -13.256 -28.977 1.00 32.16 ? 56 GLU A O 1 ATOM 424 C CB . GLU A 1 56 ? -23.811 -11.487 -31.765 1.00 38.14 ? 56 GLU A CB 1 ATOM 425 C CG . GLU A 1 56 ? -24.389 -10.152 -32.226 1.00 43.07 ? 56 GLU A CG 1 ATOM 426 C CD . GLU A 1 56 ? -24.704 -10.089 -33.714 1.00 47.20 ? 56 GLU A CD 1 ATOM 427 O OE1 . GLU A 1 56 ? -24.418 -11.065 -34.447 1.00 50.25 ? 56 GLU A OE1 1 ATOM 428 O OE2 . GLU A 1 56 ? -25.247 -9.048 -34.154 1.00 49.79 ? 56 GLU A OE2 1 ATOM 429 N N . ALA A 1 57 ? -21.919 -13.421 -29.941 1.00 31.60 ? 57 ALA A N 1 ATOM 430 C CA . ALA A 1 57 ? -21.606 -14.692 -29.277 1.00 30.14 ? 57 ALA A CA 1 ATOM 431 C C . ALA A 1 57 ? -21.462 -14.546 -27.763 1.00 29.46 ? 57 ALA A C 1 ATOM 432 O O . ALA A 1 57 ? -21.889 -15.411 -27.004 1.00 29.54 ? 57 ALA A O 1 ATOM 433 C CB . ALA A 1 57 ? -20.364 -15.322 -29.881 1.00 30.64 ? 57 ALA A CB 1 ATOM 434 N N . ALA A 1 58 ? -20.865 -13.444 -27.322 1.00 29.17 ? 58 ALA A N 1 ATOM 435 C CA . ALA A 1 58 ? -20.727 -13.173 -25.901 1.00 28.38 ? 58 ALA A CA 1 ATOM 436 C C . ALA A 1 58 ? -22.098 -13.016 -25.242 1.00 28.71 ? 58 ALA A C 1 ATOM 437 O O . ALA A 1 58 ? -22.326 -13.548 -24.147 1.00 28.41 ? 58 ALA A O 1 ATOM 438 C CB . ALA A 1 58 ? -19.858 -11.940 -25.666 1.00 28.88 ? 58 ALA A CB 1 ATOM 439 N N . LEU A 1 59 ? -23.003 -12.295 -25.912 1.00 28.70 ? 59 LEU A N 1 ATOM 440 C CA . LEU A 1 59 ? -24.382 -12.129 -25.443 1.00 29.71 ? 59 LEU A CA 1 ATOM 441 C C . LEU A 1 59 ? -25.084 -13.471 -25.311 1.00 29.19 ? 59 LEU A C 1 ATOM 442 O O . LEU A 1 59 ? -25.770 -13.717 -24.321 1.00 29.39 ? 59 LEU A O 1 ATOM 443 C CB . LEU A 1 59 ? -25.200 -11.238 -26.390 1.00 30.38 ? 59 LEU A CB 1 ATOM 444 C CG . LEU A 1 59 ? -25.536 -9.776 -26.084 1.00 31.71 ? 59 LEU A CG 1 ATOM 445 C CD1 . LEU A 1 59 ? -26.791 -9.398 -26.864 1.00 31.79 ? 59 LEU A CD1 1 ATOM 446 C CD2 . LEU A 1 59 ? -25.724 -9.459 -24.603 1.00 30.18 ? 59 LEU A CD2 1 ATOM 447 N N . LEU A 1 60 ? -24.917 -14.330 -26.315 1.00 29.72 ? 60 LEU A N 1 ATOM 448 C CA . LEU A 1 60 ? -25.475 -15.678 -26.257 1.00 30.21 ? 60 LEU A CA 1 ATOM 449 C C . LEU A 1 60 ? -24.937 -16.451 -25.045 1.00 30.52 ? 60 LEU A C 1 ATOM 450 O O . LEU A 1 60 ? -25.722 -17.072 -24.317 1.00 29.52 ? 60 LEU A O 1 ATOM 451 C CB . LEU A 1 60 ? -25.241 -16.443 -27.572 1.00 32.29 ? 60 LEU A CB 1 ATOM 452 C CG . LEU A 1 60 ? -26.099 -17.698 -27.820 1.00 34.26 ? 60 LEU A CG 1 ATOM 453 C CD1 . LEU A 1 60 ? -27.559 -17.449 -27.451 1.00 35.39 ? 60 LEU A CD1 1 ATOM 454 C CD2 . LEU A 1 60 ? -25.999 -18.171 -29.267 1.00 35.03 ? 60 LEU A CD2 1 ATOM 455 N N . SER A 1 61 ? -23.618 -16.380 -24.795 1.00 29.25 ? 61 SER A N 1 ATOM 456 C CA . SER A 1 61 ? -23.026 -17.044 -23.621 1.00 29.04 ? 61 SER A CA 1 ATOM 457 C C . SER A 1 61 ? -23.634 -16.540 -22.319 1.00 29.76 ? 61 SER A C 1 ATOM 458 O O . SER A 1 61 ? -23.854 -17.313 -21.383 1.00 30.09 ? 61 SER A O 1 ATOM 459 C CB . SER A 1 61 ? -21.492 -16.887 -23.572 1.00 29.62 ? 61 SER A CB 1 ATOM 460 O OG . SER A 1 61 ? -20.901 -17.376 -24.760 1.00 31.49 ? 61 SER A OG 1 ATOM 461 N N . GLN A 1 62 ? -23.907 -15.241 -22.259 1.00 29.55 ? 62 GLN A N 1 ATOM 462 C CA . GLN A 1 62 ? -24.552 -14.663 -21.081 1.00 29.57 ? 62 GLN A CA 1 ATOM 463 C C . GLN A 1 62 ? -25.991 -15.146 -20.917 1.00 29.58 ? 62 GLN A C 1 ATOM 464 O O . GLN A 1 62 ? -26.413 -15.431 -19.797 1.00 29.80 ? 62 GLN A O 1 ATOM 465 C CB . GLN A 1 62 ? -24.460 -13.137 -21.105 1.00 29.28 ? 62 GLN A CB 1 ATOM 466 C CG . GLN A 1 62 ? -23.069 -12.631 -20.738 1.00 28.50 ? 62 GLN A CG 1 ATOM 467 C CD . GLN A 1 62 ? -22.671 -11.355 -21.467 1.00 28.13 ? 62 GLN A CD 1 ATOM 468 O OE1 . GLN A 1 62 ? -23.243 -11.004 -22.499 1.00 28.25 ? 62 GLN A OE1 1 ATOM 469 N NE2 . GLN A 1 62 ? -21.668 -10.667 -20.938 1.00 27.12 ? 62 GLN A NE2 1 ATOM 470 N N . GLU A 1 63 ? -26.725 -15.268 -22.029 1.00 30.19 ? 63 GLU A N 1 ATOM 471 C CA . GLU A 1 63 ? -28.084 -15.833 -22.007 1.00 30.95 ? 63 GLU A CA 1 ATOM 472 C C . GLU A 1 63 ? -28.096 -17.225 -21.388 1.00 29.95 ? 63 GLU A C 1 ATOM 473 O O . GLU A 1 63 ? -28.885 -17.511 -20.481 1.00 28.83 ? 63 GLU A O 1 ATOM 474 C CB . GLU A 1 63 ? -28.685 -15.902 -23.415 1.00 33.88 ? 63 GLU A CB 1 ATOM 475 C CG . GLU A 1 63 ? -29.389 -14.632 -23.863 1.00 37.72 ? 63 GLU A CG 1 ATOM 476 C CD . GLU A 1 63 ? -29.973 -14.748 -25.258 1.00 41.43 ? 63 GLU A CD 1 ATOM 477 O OE1 . GLU A 1 63 ? -30.741 -15.698 -25.512 1.00 43.35 ? 63 GLU A OE1 1 ATOM 478 O OE2 . GLU A 1 63 ? -29.668 -13.885 -26.105 1.00 43.89 ? 63 GLU A OE2 1 ATOM 479 N N . PHE A 1 64 ? -27.205 -18.076 -21.888 1.00 29.35 ? 64 PHE A N 1 ATOM 480 C CA . PHE A 1 64 ? -26.995 -19.418 -21.358 1.00 29.04 ? 64 PHE A CA 1 ATOM 481 C C . PHE A 1 64 ? -26.636 -19.416 -19.880 1.00 28.50 ? 64 PHE A C 1 ATOM 482 O O . PHE A 1 64 ? -27.249 -20.131 -19.091 1.00 28.32 ? 64 PHE A O 1 ATOM 483 C CB . PHE A 1 64 ? -25.904 -20.117 -22.158 1.00 29.93 ? 64 PHE A CB 1 ATOM 484 C CG . PHE A 1 64 ? -25.637 -21.527 -21.718 1.00 30.96 ? 64 PHE A CG 1 ATOM 485 C CD1 . PHE A 1 64 ? -26.385 -22.581 -22.239 1.00 31.89 ? 64 PHE A CD1 1 ATOM 486 C CD2 . PHE A 1 64 ? -24.621 -21.806 -20.801 1.00 30.81 ? 64 PHE A CD2 1 ATOM 487 C CE1 . PHE A 1 64 ? -26.128 -23.891 -21.854 1.00 32.34 ? 64 PHE A CE1 1 ATOM 488 C CE2 . PHE A 1 64 ? -24.367 -23.112 -20.401 1.00 31.68 ? 64 PHE A CE2 1 ATOM 489 C CZ . PHE A 1 64 ? -25.127 -24.155 -20.929 1.00 32.30 ? 64 PHE A CZ 1 ATOM 490 N N . ALA A 1 65 ? -25.658 -18.589 -19.507 1.00 29.17 ? 65 ALA A N 1 ATOM 491 C CA . ALA A 1 65 ? -25.184 -18.510 -18.134 1.00 28.64 ? 65 ALA A CA 1 ATOM 492 C C . ALA A 1 65 ? -26.278 -18.060 -17.188 1.00 29.31 ? 65 ALA A C 1 ATOM 493 O O . ALA A 1 65 ? -26.388 -18.553 -16.064 1.00 28.82 ? 65 ALA A O 1 ATOM 494 C CB . ALA A 1 65 ? -23.971 -17.588 -18.039 1.00 29.48 ? 65 ALA A CB 1 ATOM 495 N N . GLU A 1 66 ? -27.101 -17.122 -17.642 1.00 29.53 ? 66 GLU A N 1 ATOM 496 C CA . GLU A 1 66 ? -28.234 -16.686 -16.849 1.00 31.23 ? 66 GLU A CA 1 ATOM 497 C C . GLU A 1 66 ? -29.288 -17.789 -16.677 1.00 30.21 ? 66 GLU A C 1 ATOM 498 O O . GLU A 1 66 ? -29.764 -18.025 -15.565 1.00 30.83 ? 66 GLU A O 1 ATOM 499 C CB . GLU A 1 66 ? -28.866 -15.443 -17.469 1.00 34.16 ? 66 GLU A CB 1 ATOM 500 C CG . GLU A 1 66 ? -30.004 -14.852 -16.659 1.00 38.17 ? 66 GLU A CG 1 ATOM 501 C CD . GLU A 1 66 ? -30.633 -13.665 -17.356 1.00 41.85 ? 66 GLU A CD 1 ATOM 502 O OE1 . GLU A 1 66 ? -31.057 -13.807 -18.525 1.00 43.82 ? 66 GLU A OE1 1 ATOM 503 O OE2 . GLU A 1 66 ? -30.689 -12.583 -16.740 1.00 45.23 ? 66 GLU A OE2 1 ATOM 504 N N . ALA A 1 67 ? -29.666 -18.444 -17.768 1.00 29.53 ? 67 ALA A N 1 ATOM 505 C CA . ALA A 1 67 ? -30.709 -19.478 -17.698 1.00 29.24 ? 67 ALA A CA 1 ATOM 506 C C . ALA A 1 67 ? -30.331 -20.591 -16.705 1.00 29.05 ? 67 ALA A C 1 ATOM 507 O O . ALA A 1 67 ? -31.086 -20.885 -15.787 1.00 28.87 ? 67 ALA A O 1 ATOM 508 C CB . ALA A 1 67 ? -31.000 -20.050 -19.075 1.00 30.13 ? 67 ALA A CB 1 ATOM 509 N N . TRP A 1 68 ? -29.139 -21.159 -16.860 1.00 29.33 ? 68 TRP A N 1 ATOM 510 C CA . TRP A 1 68 ? -28.678 -22.248 -15.988 1.00 29.57 ? 68 TRP A CA 1 ATOM 511 C C . TRP A 1 68 ? -28.321 -21.790 -14.574 1.00 30.15 ? 68 TRP A C 1 ATOM 512 O O . TRP A 1 68 ? -28.577 -22.508 -13.601 1.00 30.18 ? 68 TRP A O 1 ATOM 513 C CB . TRP A 1 68 ? -27.522 -23.005 -16.645 1.00 28.31 ? 68 TRP A CB 1 ATOM 514 C CG . TRP A 1 68 ? -27.984 -23.821 -17.821 1.00 29.31 ? 68 TRP A CG 1 ATOM 515 C CD1 . TRP A 1 68 ? -28.134 -23.395 -19.116 1.00 28.82 ? 68 TRP A CD1 1 ATOM 516 C CD2 . TRP A 1 68 ? -28.370 -25.206 -17.808 1.00 28.93 ? 68 TRP A CD2 1 ATOM 517 N NE1 . TRP A 1 68 ? -28.593 -24.427 -19.906 1.00 28.98 ? 68 TRP A NE1 1 ATOM 518 C CE2 . TRP A 1 68 ? -28.738 -25.551 -19.133 1.00 28.96 ? 68 TRP A CE2 1 ATOM 519 C CE3 . TRP A 1 68 ? -28.444 -26.188 -16.805 1.00 29.15 ? 68 TRP A CE3 1 ATOM 520 C CZ2 . TRP A 1 68 ? -29.178 -26.842 -19.485 1.00 29.44 ? 68 TRP A CZ2 1 ATOM 521 C CZ3 . TRP A 1 68 ? -28.881 -27.476 -17.157 1.00 28.83 ? 68 TRP A CZ3 1 ATOM 522 C CH2 . TRP A 1 68 ? -29.233 -27.786 -18.490 1.00 29.07 ? 68 TRP A CH2 1 ATOM 523 N N . GLY A 1 69 ? -27.745 -20.588 -14.457 1.00 30.69 ? 69 GLY A N 1 ATOM 524 C CA . GLY A 1 69 ? -27.412 -20.011 -13.159 1.00 28.73 ? 69 GLY A CA 1 ATOM 525 C C . GLY A 1 69 ? -28.637 -19.771 -12.302 1.00 31.86 ? 69 GLY A C 1 ATOM 526 O O . GLY A 1 69 ? -28.670 -20.160 -11.127 1.00 30.72 ? 69 GLY A O 1 ATOM 527 N N . GLN A 1 70 ? -29.656 -19.144 -12.888 1.00 32.01 ? 70 GLN A N 1 ATOM 528 C CA . GLN A 1 70 ? -30.900 -18.900 -12.173 1.00 35.23 ? 70 GLN A CA 1 ATOM 529 C C . GLN A 1 70 ? -31.521 -20.212 -11.740 1.00 34.34 ? 70 GLN A C 1 ATOM 530 O O . GLN A 1 70 ? -32.123 -20.286 -10.676 1.00 34.57 ? 70 GLN A O 1 ATOM 531 C CB . GLN A 1 70 ? -31.906 -18.093 -13.010 1.00 37.88 ? 70 GLN A CB 1 ATOM 532 C CG . GLN A 1 70 ? -31.444 -16.693 -13.413 1.00 42.44 ? 70 GLN A CG 1 ATOM 533 C CD . GLN A 1 70 ? -31.299 -15.707 -12.256 1.00 45.98 ? 70 GLN A CD 1 ATOM 534 O OE1 . GLN A 1 70 ? -31.422 -16.065 -11.077 1.00 49.53 ? 70 GLN A OE1 1 ATOM 535 N NE2 . GLN A 1 70 ? -31.034 -14.446 -12.598 1.00 46.38 ? 70 GLN A NE2 1 ATOM 536 N N . LYS A 1 71 ? -31.375 -21.238 -12.575 1.00 33.38 ? 71 LYS A N 1 ATOM 537 C CA . LYS A 1 71 ? -31.925 -22.556 -12.279 1.00 34.00 ? 71 LYS A CA 1 ATOM 538 C C . LYS A 1 71 ? -31.207 -23.165 -11.062 1.00 34.48 ? 71 LYS A C 1 ATOM 539 O O . LYS A 1 71 ? -31.860 -23.694 -10.151 1.00 34.12 ? 71 LYS A O 1 ATOM 540 C CB . LYS A 1 71 ? -31.833 -23.470 -13.513 1.00 32.55 ? 71 LYS A CB 1 ATOM 541 C CG . LYS A 1 71 ? -32.564 -24.815 -13.401 1.00 32.65 ? 71 LYS A CG 1 ATOM 542 C CD . LYS A 1 71 ? -34.021 -24.691 -12.955 1.00 32.31 ? 71 LYS A CD 1 ATOM 543 C CE . LYS A 1 71 ? -34.933 -24.195 -14.069 1.00 32.09 ? 71 LYS A CE 1 ATOM 544 N NZ . LYS A 1 71 ? -36.333 -24.024 -13.593 1.00 31.05 ? 71 LYS A NZ 1 ATOM 545 N N . ALA A 1 72 ? -29.876 -23.053 -11.046 1.00 34.28 ? 72 ALA A N 1 ATOM 546 C CA . ALA A 1 72 ? -29.060 -23.548 -9.922 1.00 34.10 ? 72 ALA A CA 1 ATOM 547 C C . ALA A 1 72 ? -29.489 -22.905 -8.607 1.00 34.66 ? 72 ALA A C 1 ATOM 548 O O . ALA A 1 72 ? -29.709 -23.598 -7.609 1.00 35.52 ? 72 ALA A O 1 ATOM 549 C CB . ALA A 1 72 ? -27.595 -23.306 -10.185 1.00 34.84 ? 72 ALA A CB 1 ATOM 550 N N . LYS A 1 73 ? -29.668 -21.589 -8.637 1.00 34.14 ? 73 LYS A N 1 ATOM 551 C CA . LYS A 1 73 ? -30.049 -20.821 -7.461 1.00 35.44 ? 73 LYS A CA 1 ATOM 552 C C . LYS A 1 73 ? -31.480 -21.127 -7.024 1.00 35.57 ? 73 LYS A C 1 ATOM 553 O O . LYS A 1 73 ? -31.770 -21.204 -5.832 1.00 35.35 ? 73 LYS A O 1 ATOM 554 C CB . LYS A 1 73 ? -29.853 -19.319 -7.719 1.00 36.70 ? 73 LYS A CB 1 ATOM 555 C CG . LYS A 1 73 ? -28.382 -18.881 -7.782 1.00 39.05 ? 73 LYS A CG 1 ATOM 556 C CD . LYS A 1 73 ? -28.208 -17.513 -8.437 1.00 40.79 ? 73 LYS A CD 1 ATOM 557 C CE . LYS A 1 73 ? -28.901 -16.400 -7.658 1.00 41.35 ? 73 LYS A CE 1 ATOM 558 N NZ . LYS A 1 73 ? -29.440 -15.339 -8.561 1.00 41.02 ? 73 LYS A NZ 1 ATOM 559 N N . GLU A 1 74 ? -32.363 -21.322 -7.998 1.00 35.24 ? 74 GLU A N 1 ATOM 560 C CA . GLU A 1 74 ? -33.744 -21.684 -7.739 1.00 35.03 ? 74 GLU A CA 1 ATOM 561 C C . GLU A 1 74 ? -33.849 -22.989 -6.933 1.00 33.84 ? 74 GLU A C 1 ATOM 562 O O . GLU A 1 74 ? -34.585 -23.068 -5.940 1.00 33.31 ? 74 GLU A O 1 ATOM 563 C CB . GLU A 1 74 ? -34.487 -21.823 -9.067 1.00 36.14 ? 74 GLU A CB 1 ATOM 564 C CG . GLU A 1 74 ? -35.988 -22.014 -8.940 1.00 38.56 ? 74 GLU A CG 1 ATOM 565 C CD . GLU A 1 74 ? -36.612 -22.624 -10.184 1.00 40.29 ? 74 GLU A CD 1 ATOM 566 O OE1 . GLU A 1 74 ? -36.053 -22.466 -11.293 1.00 40.15 ? 74 GLU A OE1 1 ATOM 567 O OE2 . GLU A 1 74 ? -37.666 -23.278 -10.040 1.00 41.98 ? 74 GLU A OE2 1 ATOM 568 N N . LEU A 1 75 ? -33.112 -23.998 -7.370 1.00 32.17 ? 75 LEU A N 1 ATOM 569 C CA . LEU A 1 75 ? -33.214 -25.340 -6.806 1.00 33.39 ? 75 LEU A CA 1 ATOM 570 C C . LEU A 1 75 ? -32.250 -25.599 -5.627 1.00 34.01 ? 75 LEU A C 1 ATOM 571 O O . LEU A 1 75 ? -32.612 -26.307 -4.680 1.00 34.62 ? 75 LEU A O 1 ATOM 572 C CB . LEU A 1 75 ? -32.972 -26.394 -7.907 1.00 32.31 ? 75 LEU A CB 1 ATOM 573 C CG . LEU A 1 75 ? -33.745 -26.329 -9.237 1.00 32.64 ? 75 LEU A CG 1 ATOM 574 C CD1 . LEU A 1 75 ? -33.219 -27.343 -10.247 1.00 31.34 ? 75 LEU A CD1 1 ATOM 575 C CD2 . LEU A 1 75 ? -35.247 -26.495 -9.046 1.00 32.41 ? 75 LEU A CD2 1 ATOM 576 N N . TYR A 1 76 ? -31.047 -25.024 -5.687 1.00 33.39 ? 76 TYR A N 1 ATOM 577 C CA . TYR A 1 76 ? -29.931 -25.452 -4.812 1.00 34.61 ? 76 TYR A CA 1 ATOM 578 C C . TYR A 1 76 ? -29.214 -24.393 -3.956 1.00 34.83 ? 76 TYR A C 1 ATOM 579 O O . TYR A 1 76 ? -28.348 -24.745 -3.151 1.00 33.14 ? 76 TYR A O 1 ATOM 580 C CB . TYR A 1 76 ? -28.872 -26.230 -5.614 1.00 32.90 ? 76 TYR A CB 1 ATOM 581 C CG . TYR A 1 76 ? -29.430 -27.244 -6.587 1.00 33.61 ? 76 TYR A CG 1 ATOM 582 C CD1 . TYR A 1 76 ? -30.273 -28.277 -6.159 1.00 35.10 ? 76 TYR A CD1 1 ATOM 583 C CD2 . TYR A 1 76 ? -29.104 -27.177 -7.934 1.00 33.74 ? 76 TYR A CD2 1 ATOM 584 C CE1 . TYR A 1 76 ? -30.790 -29.201 -7.061 1.00 35.28 ? 76 TYR A CE1 1 ATOM 585 C CE2 . TYR A 1 76 ? -29.607 -28.089 -8.839 1.00 34.38 ? 76 TYR A CE2 1 ATOM 586 C CZ . TYR A 1 76 ? -30.450 -29.094 -8.405 1.00 35.27 ? 76 TYR A CZ 1 ATOM 587 O OH . TYR A 1 76 ? -30.932 -29.986 -9.327 1.00 35.51 ? 76 TYR A OH 1 ATOM 588 N N . GLU A 1 77 ? -29.570 -23.118 -4.101 1.00 35.91 ? 77 GLU A N 1 ATOM 589 C CA . GLU A 1 77 ? -28.854 -22.070 -3.362 1.00 38.53 ? 77 GLU A CA 1 ATOM 590 C C . GLU A 1 77 ? -28.808 -22.309 -1.845 1.00 39.54 ? 77 GLU A C 1 ATOM 591 O O . GLU A 1 77 ? -27.745 -22.178 -1.247 1.00 40.16 ? 77 GLU A O 1 ATOM 592 C CB . GLU A 1 77 ? -29.362 -20.658 -3.693 1.00 38.78 ? 77 GLU A CB 1 ATOM 593 C CG . GLU A 1 77 ? -28.583 -19.518 -3.027 1.00 40.02 ? 77 GLU A CG 1 ATOM 594 C CD . GLU A 1 77 ? -27.162 -19.305 -3.558 1.00 41.35 ? 77 GLU A CD 1 ATOM 595 O OE1 . GLU A 1 77 ? -26.571 -20.205 -4.201 1.00 40.60 ? 77 GLU A OE1 1 ATOM 596 O OE2 . GLU A 1 77 ? -26.613 -18.207 -3.308 1.00 43.16 ? 77 GLU A OE2 1 ATOM 597 N N . PRO A 1 78 ? -29.939 -22.696 -1.221 1.00 39.79 ? 78 PRO A N 1 ATOM 598 C CA . PRO A 1 78 ? -29.817 -22.863 0.225 1.00 40.33 ? 78 PRO A CA 1 ATOM 599 C C . PRO A 1 78 ? -29.125 -24.174 0.670 1.00 40.08 ? 78 PRO A C 1 ATOM 600 O O . PRO A 1 78 ? -28.884 -24.358 1.872 1.00 38.97 ? 78 PRO A O 1 ATOM 601 C CB . PRO A 1 78 ? -31.279 -22.817 0.719 1.00 41.21 ? 78 PRO A CB 1 ATOM 602 C CG . PRO A 1 78 ? -32.146 -22.734 -0.503 1.00 41.32 ? 78 PRO A CG 1 ATOM 603 C CD . PRO A 1 78 ? -31.289 -23.051 -1.692 1.00 40.81 ? 78 PRO A CD 1 ATOM 604 N N . ILE A 1 79 ? -28.793 -25.062 -0.269 1.00 38.05 ? 79 ILE A N 1 ATOM 605 C CA . ILE A 1 79 ? -28.371 -26.420 0.115 1.00 37.34 ? 79 ILE A CA 1 ATOM 606 C C . ILE A 1 79 ? -27.067 -26.946 -0.475 1.00 36.76 ? 79 ILE A C 1 ATOM 607 O O . ILE A 1 79 ? -26.476 -27.873 0.094 1.00 36.11 ? 79 ILE A O 1 ATOM 608 C CB . ILE A 1 79 ? -29.489 -27.475 -0.124 1.00 37.78 ? 79 ILE A CB 1 ATOM 609 C CG1 . ILE A 1 79 ? -29.868 -27.555 -1.612 1.00 37.66 ? 79 ILE A CG1 1 ATOM 610 C CG2 . ILE A 1 79 ? -30.696 -27.191 0.775 1.00 38.37 ? 79 ILE A CG2 1 ATOM 611 C CD1 . ILE A 1 79 ? -30.826 -28.680 -1.954 1.00 38.55 ? 79 ILE A CD1 1 ATOM 612 N N . TRP A 1 80 ? -26.621 -26.371 -1.593 1.00 35.40 ? 80 TRP A N 1 ATOM 613 C CA . TRP A 1 80 ? -25.487 -26.922 -2.348 1.00 35.13 ? 80 TRP A CA 1 ATOM 614 C C . TRP A 1 80 ? -24.177 -26.975 -1.542 1.00 34.69 ? 80 TRP A C 1 ATOM 615 O O . TRP A 1 80 ? -23.335 -27.861 -1.761 1.00 31.71 ? 80 TRP A O 1 ATOM 616 C CB . TRP A 1 80 ? -25.276 -26.156 -3.670 1.00 36.12 ? 80 TRP A CB 1 ATOM 617 C CG . TRP A 1 80 ? -24.689 -24.763 -3.506 1.00 36.72 ? 80 TRP A CG 1 ATOM 618 C CD1 . TRP A 1 80 ? -25.381 -23.584 -3.376 1.00 36.83 ? 80 TRP A CD1 1 ATOM 619 C CD2 . TRP A 1 80 ? -23.296 -24.417 -3.457 1.00 37.61 ? 80 TRP A CD2 1 ATOM 620 N NE1 . TRP A 1 80 ? -24.504 -22.531 -3.241 1.00 37.62 ? 80 TRP A NE1 1 ATOM 621 C CE2 . TRP A 1 80 ? -23.219 -23.012 -3.291 1.00 38.24 ? 80 TRP A CE2 1 ATOM 622 C CE3 . TRP A 1 80 ? -22.106 -25.158 -3.535 1.00 37.27 ? 80 TRP A CE3 1 ATOM 623 C CZ2 . TRP A 1 80 ? -21.992 -22.334 -3.195 1.00 38.11 ? 80 TRP A CZ2 1 ATOM 624 C CZ3 . TRP A 1 80 ? -20.887 -24.482 -3.439 1.00 38.89 ? 80 TRP A CZ3 1 ATOM 625 C CH2 . TRP A 1 80 ? -20.842 -23.084 -3.275 1.00 38.68 ? 80 TRP A CH2 1 ATOM 626 N N . GLN A 1 81 ? -24.012 -26.017 -0.626 1.00 34.63 ? 81 GLN A N 1 ATOM 627 C CA . GLN A 1 81 ? -22.802 -25.939 0.212 1.00 36.14 ? 81 GLN A CA 1 ATOM 628 C C . GLN A 1 81 ? -22.723 -27.131 1.178 1.00 36.26 ? 81 GLN A C 1 ATOM 629 O O . GLN A 1 81 ? -21.647 -27.489 1.656 1.00 35.24 ? 81 GLN A O 1 ATOM 630 C CB . GLN A 1 81 ? -22.763 -24.613 0.988 1.00 37.21 ? 81 GLN A CB 1 ATOM 631 C CG . GLN A 1 81 ? -22.378 -23.398 0.151 1.00 40.05 ? 81 GLN A CG 1 ATOM 632 C CD . GLN A 1 81 ? -23.003 -22.105 0.666 1.00 42.70 ? 81 GLN A CD 1 ATOM 633 O OE1 . GLN A 1 81 ? -23.187 -21.924 1.870 1.00 46.19 ? 81 GLN A OE1 1 ATOM 634 N NE2 . GLN A 1 81 ? -23.341 -21.205 -0.249 1.00 43.53 ? 81 GLN A NE2 1 ATOM 635 N N . GLN A 1 82 ? -23.868 -27.758 1.439 1.00 35.87 ? 82 GLN A N 1 ATOM 636 C CA . GLN A 1 82 ? -23.904 -28.947 2.284 1.00 36.81 ? 82 GLN A CA 1 ATOM 637 C C . GLN A 1 82 ? -23.897 -30.273 1.510 1.00 34.85 ? 82 GLN A C 1 ATOM 638 O O . GLN A 1 82 ? -24.044 -31.331 2.116 1.00 33.08 ? 82 GLN A O 1 ATOM 639 C CB . GLN A 1 82 ? -25.108 -28.888 3.215 1.00 40.05 ? 82 GLN A CB 1 ATOM 640 C CG . GLN A 1 82 ? -25.073 -27.721 4.185 1.00 44.40 ? 82 GLN A CG 1 ATOM 641 C CD . GLN A 1 82 ? -25.757 -28.059 5.489 1.00 47.81 ? 82 GLN A CD 1 ATOM 642 O OE1 . GLN A 1 82 ? -26.734 -27.416 5.876 1.00 51.15 ? 82 GLN A OE1 1 ATOM 643 N NE2 . GLN A 1 82 ? -25.254 -29.087 6.171 1.00 48.79 ? 82 GLN A NE2 1 ATOM 644 N N . PHE A 1 83 ? -23.725 -30.217 0.188 1.00 32.96 ? 83 PHE A N 1 ATOM 645 C CA . PHE A 1 83 ? -23.720 -31.434 -0.645 1.00 32.68 ? 83 PHE A CA 1 ATOM 646 C C . PHE A 1 83 ? -22.550 -32.334 -0.290 1.00 32.08 ? 83 PHE A C 1 ATOM 647 O O . PHE A 1 83 ? -21.439 -31.851 -0.084 1.00 32.55 ? 83 PHE A O 1 ATOM 648 C CB . PHE A 1 83 ? -23.696 -31.107 -2.149 1.00 31.44 ? 83 PHE A CB 1 ATOM 649 C CG . PHE A 1 83 ? -25.027 -30.628 -2.700 1.00 31.96 ? 83 PHE A CG 1 ATOM 650 C CD1 . PHE A 1 83 ? -26.204 -30.753 -1.958 1.00 31.61 ? 83 PHE A CD1 1 ATOM 651 C CD2 . PHE A 1 83 ? -25.109 -30.085 -3.986 1.00 31.58 ? 83 PHE A CD2 1 ATOM 652 C CE1 . PHE A 1 83 ? -27.421 -30.328 -2.474 1.00 32.38 ? 83 PHE A CE1 1 ATOM 653 C CE2 . PHE A 1 83 ? -26.332 -29.664 -4.505 1.00 31.54 ? 83 PHE A CE2 1 ATOM 654 C CZ . PHE A 1 83 ? -27.486 -29.782 -3.748 1.00 31.37 ? 83 PHE A CZ 1 ATOM 655 N N . THR A 1 84 ? -22.804 -33.637 -0.224 1.00 31.89 ? 84 THR A N 1 ATOM 656 C CA . THR A 1 84 ? -21.786 -34.603 0.214 1.00 33.27 ? 84 THR A CA 1 ATOM 657 C C . THR A 1 84 ? -20.643 -34.764 -0.792 1.00 34.03 ? 84 THR A C 1 ATOM 658 O O . THR A 1 84 ? -19.492 -34.991 -0.401 1.00 35.45 ? 84 THR A O 1 ATOM 659 C CB . THR A 1 84 ? -22.394 -35.998 0.530 1.00 33.01 ? 84 THR A CB 1 ATOM 660 O OG1 . THR A 1 84 ? -22.759 -36.667 -0.688 1.00 31.87 ? 84 THR A OG1 1 ATOM 661 C CG2 . THR A 1 84 ? -23.624 -35.871 1.437 1.00 32.44 ? 84 THR A CG2 1 ATOM 662 N N . ASP A 1 85 ? -20.972 -34.645 -2.079 1.00 34.17 ? 85 ASP A N 1 ATOM 663 C CA . ASP A 1 85 ? -20.013 -34.849 -3.163 1.00 33.96 ? 85 ASP A CA 1 ATOM 664 C C . ASP A 1 85 ? -19.261 -33.536 -3.440 1.00 33.69 ? 85 ASP A C 1 ATOM 665 O O . ASP A 1 85 ? -19.876 -32.565 -3.896 1.00 34.57 ? 85 ASP A O 1 ATOM 666 C CB . ASP A 1 85 ? -20.770 -35.352 -4.411 1.00 33.45 ? 85 ASP A CB 1 ATOM 667 C CG . ASP A 1 85 ? -19.878 -35.556 -5.630 1.00 33.11 ? 85 ASP A CG 1 ATOM 668 O OD1 . ASP A 1 85 ? -18.833 -34.881 -5.789 1.00 32.84 ? 85 ASP A OD1 1 ATOM 669 O OD2 . ASP A 1 85 ? -20.255 -36.386 -6.471 1.00 33.01 ? 85 ASP A OD2 1 ATOM 670 N N . PRO A 1 86 ? -17.930 -33.497 -3.169 1.00 33.10 ? 86 PRO A N 1 ATOM 671 C CA . PRO A 1 86 ? -17.185 -32.238 -3.360 1.00 32.58 ? 86 PRO A CA 1 ATOM 672 C C . PRO A 1 86 ? -17.059 -31.780 -4.828 1.00 32.41 ? 86 PRO A C 1 ATOM 673 O O . PRO A 1 86 ? -17.091 -30.574 -5.089 1.00 32.63 ? 86 PRO A O 1 ATOM 674 C CB . PRO A 1 86 ? -15.800 -32.529 -2.742 1.00 33.40 ? 86 PRO A CB 1 ATOM 675 C CG . PRO A 1 86 ? -15.681 -34.023 -2.697 1.00 34.33 ? 86 PRO A CG 1 ATOM 676 C CD . PRO A 1 86 ? -17.090 -34.563 -2.579 1.00 33.76 ? 86 PRO A CD 1 ATOM 677 N N . GLN A 1 87 ? -16.923 -32.722 -5.767 1.00 30.80 ? 87 GLN A N 1 ATOM 678 C CA . GLN A 1 87 ? -16.847 -32.401 -7.194 1.00 31.25 ? 87 GLN A CA 1 ATOM 679 C C . GLN A 1 87 ? -18.143 -31.679 -7.663 1.00 33.55 ? 87 GLN A C 1 ATOM 680 O O . GLN A 1 87 ? -18.098 -30.699 -8.437 1.00 33.19 ? 87 GLN A O 1 ATOM 681 C CB . GLN A 1 87 ? -16.594 -33.696 -7.979 1.00 33.65 ? 87 GLN A CB 1 ATOM 682 C CG . GLN A 1 87 ? -16.235 -33.510 -9.441 1.00 37.77 ? 87 GLN A CG 1 ATOM 683 C CD . GLN A 1 87 ? -15.446 -34.682 -10.021 1.00 42.37 ? 87 GLN A CD 1 ATOM 684 O OE1 . GLN A 1 87 ? -14.594 -35.293 -9.354 1.00 42.05 ? 87 GLN A OE1 1 ATOM 685 N NE2 . GLN A 1 87 ? -15.717 -34.992 -11.281 1.00 44.83 ? 87 GLN A NE2 1 ATOM 686 N N . LEU A 1 88 ? -19.282 -32.150 -7.152 1.00 31.60 ? 88 LEU A N 1 ATOM 687 C CA . LEU A 1 88 ? -20.574 -31.532 -7.400 1.00 32.34 ? 88 LEU A CA 1 ATOM 688 C C . LEU A 1 88 ? -20.674 -30.149 -6.763 1.00 32.68 ? 88 LEU A C 1 ATOM 689 O O . LEU A 1 88 ? -21.272 -29.249 -7.353 1.00 31.87 ? 88 LEU A O 1 ATOM 690 C CB . LEU A 1 88 ? -21.713 -32.418 -6.867 1.00 31.39 ? 88 LEU A CB 1 ATOM 691 C CG . LEU A 1 88 ? -23.155 -31.938 -7.104 1.00 32.38 ? 88 LEU A CG 1 ATOM 692 C CD1 . LEU A 1 88 ? -23.555 -32.150 -8.563 1.00 31.86 ? 88 LEU A CD1 1 ATOM 693 C CD2 . LEU A 1 88 ? -24.125 -32.624 -6.152 1.00 32.21 ? 88 LEU A CD2 1 ATOM 694 N N . ARG A 1 89 ? -20.121 -29.986 -5.556 1.00 34.23 ? 89 ARG A N 1 ATOM 695 C CA . ARG A 1 89 ? -20.181 -28.681 -4.871 1.00 35.13 ? 89 ARG A CA 1 ATOM 696 C C . ARG A 1 89 ? -19.510 -27.609 -5.727 1.00 36.62 ? 89 ARG A C 1 ATOM 697 O O . ARG A 1 89 ? -19.993 -26.473 -5.814 1.00 35.18 ? 89 ARG A O 1 ATOM 698 C CB . ARG A 1 89 ? -19.549 -28.728 -3.473 1.00 36.02 ? 89 ARG A CB 1 ATOM 699 C CG . ARG A 1 89 ? -20.431 -29.360 -2.403 1.00 37.07 ? 89 ARG A CG 1 ATOM 700 C CD . ARG A 1 89 ? -20.045 -28.936 -0.988 1.00 37.36 ? 89 ARG A CD 1 ATOM 701 N NE . ARG A 1 89 ? -18.616 -29.144 -0.726 1.00 38.88 ? 89 ARG A NE 1 ATOM 702 C CZ . ARG A 1 89 ? -18.065 -30.292 -0.318 1.00 39.70 ? 89 ARG A CZ 1 ATOM 703 N NH1 . ARG A 1 89 ? -18.807 -31.379 -0.107 1.00 40.17 ? 89 ARG A NH1 1 ATOM 704 N NH2 . ARG A 1 89 ? -16.757 -30.356 -0.120 1.00 39.22 ? 89 ARG A NH2 1 ATOM 705 N N . ARG A 1 90 ? -18.415 -28.008 -6.376 1.00 37.10 ? 90 ARG A N 1 ATOM 706 C CA . ARG A 1 90 ? -17.615 -27.130 -7.217 1.00 38.79 ? 90 ARG A CA 1 ATOM 707 C C . ARG A 1 90 ? -18.368 -26.705 -8.473 1.00 38.65 ? 90 ARG A C 1 ATOM 708 O O . ARG A 1 90 ? -18.312 -25.535 -8.858 1.00 39.24 ? 90 ARG A O 1 ATOM 709 C CB . ARG A 1 90 ? -16.276 -27.794 -7.574 1.00 39.49 ? 90 ARG A CB 1 ATOM 710 C CG . ARG A 1 90 ? -15.271 -27.785 -6.421 1.00 42.78 ? 90 ARG A CG 1 ATOM 711 C CD . ARG A 1 90 ? -14.146 -28.807 -6.598 1.00 45.15 ? 90 ARG A CD 1 ATOM 712 N NE . ARG A 1 90 ? -13.286 -28.530 -7.750 1.00 44.63 ? 90 ARG A NE 1 ATOM 713 C CZ . ARG A 1 90 ? -11.965 -28.349 -7.694 1.00 45.53 ? 90 ARG A CZ 1 ATOM 714 N NH1 . ARG A 1 90 ? -11.317 -28.418 -6.535 1.00 45.14 ? 90 ARG A NH1 1 ATOM 715 N NH2 . ARG A 1 90 ? -11.284 -28.104 -8.807 1.00 41.72 ? 90 ARG A NH2 1 ATOM 716 N N . ILE A 1 91 ? -19.083 -27.639 -9.099 1.00 38.43 ? 91 ILE A N 1 ATOM 717 C CA . ILE A 1 91 ? -19.852 -27.313 -10.322 1.00 38.25 ? 91 ILE A CA 1 ATOM 718 C C . ILE A 1 91 ? -21.115 -26.488 -10.031 1.00 37.33 ? 91 ILE A C 1 ATOM 719 O O . ILE A 1 91 ? -21.309 -25.404 -10.586 1.00 36.74 ? 91 ILE A O 1 ATOM 720 C CB . ILE A 1 91 ? -20.141 -28.558 -11.184 1.00 38.69 ? 91 ILE A CB 1 ATOM 721 C CG1 . ILE A 1 91 ? -18.821 -29.080 -11.772 1.00 37.94 ? 91 ILE A CG1 1 ATOM 722 C CG2 . ILE A 1 91 ? -21.112 -28.220 -12.306 1.00 39.29 ? 91 ILE A CG2 1 ATOM 723 C CD1 . ILE A 1 91 ? -18.903 -30.430 -12.468 1.00 38.49 ? 91 ILE A CD1 1 ATOM 724 N N . ILE A 1 92 ? -21.964 -26.983 -9.142 1.00 35.94 ? 92 ILE A N 1 ATOM 725 C CA . ILE A 1 92 ? -23.121 -26.200 -8.746 1.00 36.29 ? 92 ILE A CA 1 ATOM 726 C C . ILE A 1 92 ? -22.691 -24.829 -8.199 1.00 36.24 ? 92 ILE A C 1 ATOM 727 O O . ILE A 1 92 ? -23.342 -23.818 -8.477 1.00 35.90 ? 92 ILE A O 1 ATOM 728 C CB . ILE A 1 92 ? -24.014 -26.985 -7.780 1.00 37.95 ? 92 ILE A CB 1 ATOM 729 C CG1 . ILE A 1 92 ? -24.569 -28.203 -8.533 1.00 38.88 ? 92 ILE A CG1 1 ATOM 730 C CG2 . ILE A 1 92 ? -25.114 -26.089 -7.212 1.00 37.55 ? 92 ILE A CG2 1 ATOM 731 C CD1 . ILE A 1 92 ? -25.517 -29.065 -7.743 1.00 43.16 ? 92 ILE A CD1 1 ATOM 732 N N . GLY A 1 93 ? -21.580 -24.811 -7.458 1.00 35.42 ? 93 GLY A N 1 ATOM 733 C CA . GLY A 1 93 ? -20.978 -23.579 -6.948 1.00 34.56 ? 93 GLY A CA 1 ATOM 734 C C . GLY A 1 93 ? -20.585 -22.606 -8.044 1.00 33.66 ? 93 GLY A C 1 ATOM 735 O O . GLY A 1 93 ? -20.825 -21.402 -7.907 1.00 34.79 ? 93 GLY A O 1 ATOM 736 N N . ALA A 1 94 ? -19.971 -23.124 -9.116 1.00 31.27 ? 94 ALA A N 1 ATOM 737 C CA . ALA A 1 94 ? -19.679 -22.356 -10.329 1.00 29.95 ? 94 ALA A CA 1 ATOM 738 C C . ALA A 1 94 ? -20.955 -21.834 -11.014 1.00 30.45 ? 94 ALA A C 1 ATOM 739 O O . ALA A 1 94 ? -21.077 -20.641 -11.337 1.00 31.56 ? 94 ALA A O 1 ATOM 740 C CB . ALA A 1 94 ? -18.887 -23.218 -11.307 1.00 28.80 ? 94 ALA A CB 1 ATOM 741 N N . VAL A 1 95 ? -21.907 -22.735 -11.241 1.00 29.48 ? 95 VAL A N 1 ATOM 742 C CA . VAL A 1 95 ? -23.112 -22.409 -11.995 1.00 28.22 ? 95 VAL A CA 1 ATOM 743 C C . VAL A 1 95 ? -23.965 -21.340 -11.303 1.00 28.87 ? 95 VAL A C 1 ATOM 744 O O . VAL A 1 95 ? -24.557 -20.499 -11.980 1.00 28.22 ? 95 VAL A O 1 ATOM 745 C CB . VAL A 1 95 ? -23.931 -23.686 -12.331 1.00 28.88 ? 95 VAL A CB 1 ATOM 746 C CG1 . VAL A 1 95 ? -25.306 -23.330 -12.888 1.00 29.16 ? 95 VAL A CG1 1 ATOM 747 C CG2 . VAL A 1 95 ? -23.170 -24.541 -13.341 1.00 27.90 ? 95 VAL A CG2 1 ATOM 748 N N . ARG A 1 96 ? -24.011 -21.355 -9.970 1.00 29.13 ? 96 ARG A N 1 ATOM 749 C CA . ARG A 1 96 ? -24.729 -20.315 -9.204 1.00 31.84 ? 96 ARG A CA 1 ATOM 750 C C . ARG A 1 96 ? -24.027 -18.937 -9.309 1.00 31.67 ? 96 ARG A C 1 ATOM 751 O O . ARG A 1 96 ? -24.550 -17.929 -8.817 1.00 33.42 ? 96 ARG A O 1 ATOM 752 C CB . ARG A 1 96 ? -24.818 -20.702 -7.719 1.00 34.18 ? 96 ARG A CB 1 ATOM 753 C CG . ARG A 1 96 ? -23.448 -20.579 -7.050 1.00 36.47 ? 96 ARG A CG 1 ATOM 754 C CD . ARG A 1 96 ? -23.451 -20.184 -5.590 1.00 38.10 ? 96 ARG A CD 1 ATOM 755 N NE . ARG A 1 96 ? -24.186 -18.965 -5.254 1.00 38.78 ? 96 ARG A NE 1 ATOM 756 C CZ . ARG A 1 96 ? -23.705 -17.727 -5.324 1.00 38.89 ? 96 ARG A CZ 1 ATOM 757 N NH1 . ARG A 1 96 ? -22.483 -17.487 -5.780 1.00 39.22 ? 96 ARG A NH1 1 ATOM 758 N NH2 . ARG A 1 96 ? -24.471 -16.712 -4.951 1.00 40.18 ? 96 ARG A NH2 1 ATOM 759 N N . THR A 1 97 ? -22.839 -18.914 -9.913 1.00 30.87 ? 97 THR A N 1 ATOM 760 C CA . THR A 1 97 ? -22.001 -17.704 -9.993 1.00 30.41 ? 97 THR A CA 1 ATOM 761 C C . THR A 1 97 ? -22.045 -17.174 -11.433 1.00 29.66 ? 97 THR A C 1 ATOM 762 O O . THR A 1 97 ? -21.389 -17.705 -12.333 1.00 27.62 ? 97 THR A O 1 ATOM 763 C CB . THR A 1 97 ? -20.556 -17.970 -9.479 1.00 31.54 ? 97 THR A CB 1 ATOM 764 O OG1 . THR A 1 97 ? -20.588 -18.164 -8.054 1.00 33.00 ? 97 THR A OG1 1 ATOM 765 C CG2 . THR A 1 97 ? -19.623 -16.800 -9.792 1.00 30.18 ? 97 THR A CG2 1 ATOM 766 N N . LEU A 1 98 ? -22.845 -16.128 -11.627 1.00 30.67 ? 98 LEU A N 1 ATOM 767 C CA . LEU A 1 98 ? -23.294 -15.739 -12.970 1.00 31.62 ? 98 LEU A CA 1 ATOM 768 C C . LEU A 1 98 ? -22.336 -14.824 -13.703 1.00 31.58 ? 98 LEU A C 1 ATOM 769 O O . LEU A 1 98 ? -22.328 -14.789 -14.938 1.00 32.87 ? 98 LEU A O 1 ATOM 770 C CB . LEU A 1 98 ? -24.703 -15.134 -12.918 1.00 30.84 ? 98 LEU A CB 1 ATOM 771 C CG . LEU A 1 98 ? -25.857 -16.143 -12.931 1.00 31.79 ? 98 LEU A CG 1 ATOM 772 C CD1 . LEU A 1 98 ? -26.060 -16.782 -11.556 1.00 31.19 ? 98 LEU A CD1 1 ATOM 773 C CD2 . LEU A 1 98 ? -27.143 -15.474 -13.401 1.00 29.93 ? 98 LEU A CD2 1 ATOM 774 N N . GLY A 1 99 ? -21.528 -14.091 -12.942 1.00 30.70 ? 99 GLY A N 1 ATOM 775 C CA . GLY A 1 99 ? -20.569 -13.152 -13.514 1.00 29.76 ? 99 GLY A CA 1 ATOM 776 C C . GLY A 1 99 ? -21.293 -12.030 -14.230 1.00 28.20 ? 99 GLY A C 1 ATOM 777 O O . GLY A 1 99 ? -22.246 -11.466 -13.691 1.00 27.94 ? 99 GLY A O 1 ATOM 778 N N . SER A 1 100 ? -20.844 -11.728 -15.446 1.00 28.57 ? 100 SER A N 1 ATOM 779 C CA . SER A 1 100 ? -21.386 -10.633 -16.254 1.00 29.23 ? 100 SER A CA 1 ATOM 780 C C . SER A 1 100 ? -22.842 -10.864 -16.646 1.00 30.33 ? 100 SER A C 1 ATOM 781 O O . SER A 1 100 ? -23.555 -9.919 -17.007 1.00 30.57 ? 100 SER A O 1 ATOM 782 C CB . SER A 1 100 ? -20.546 -10.440 -17.506 1.00 29.36 ? 100 SER A CB 1 ATOM 783 O OG . SER A 1 100 ? -20.603 -11.587 -18.330 1.00 30.10 ? 100 SER A OG 1 ATOM 784 N N . ALA A 1 101 ? -23.276 -12.124 -16.578 1.00 29.67 ? 101 ALA A N 1 ATOM 785 C CA . ALA A 1 101 ? -24.676 -12.474 -16.808 1.00 29.92 ? 101 ALA A CA 1 ATOM 786 C C . ALA A 1 101 ? -25.591 -11.931 -15.701 1.00 30.20 ? 101 ALA A C 1 ATOM 787 O O . ALA A 1 101 ? -26.820 -11.928 -15.856 1.00 32.30 ? 101 ALA A O 1 ATOM 788 C CB . ALA A 1 101 ? -24.828 -13.983 -16.968 1.00 30.12 ? 101 ALA A CB 1 ATOM 789 N N . ASN A 1 102 ? -25.000 -11.456 -14.598 1.00 29.18 ? 102 ASN A N 1 ATOM 790 C CA . ASN A 1 102 ? -25.768 -10.740 -13.574 1.00 29.55 ? 102 ASN A CA 1 ATOM 791 C C . ASN A 1 102 ? -26.180 -9.345 -14.025 1.00 28.92 ? 102 ASN A C 1 ATOM 792 O O . ASN A 1 102 ? -27.108 -8.769 -13.476 1.00 28.38 ? 102 ASN A O 1 ATOM 793 C CB . ASN A 1 102 ? -24.986 -10.616 -12.271 1.00 29.25 ? 102 ASN A CB 1 ATOM 794 C CG . ASN A 1 102 ? -25.063 -11.869 -11.415 1.00 30.21 ? 102 ASN A CG 1 ATOM 795 O OD1 . ASN A 1 102 ? -26.138 -12.383 -11.149 1.00 30.79 ? 102 ASN A OD1 1 ATOM 796 N ND2 . ASN A 1 102 ? -23.913 -12.340 -10.954 1.00 30.47 ? 102 ASN A ND2 1 ATOM 797 N N . LEU A 1 103 ? -25.465 -8.793 -15.004 1.00 28.39 ? 103 LEU A N 1 ATOM 798 C CA . LEU A 1 103 ? -25.771 -7.443 -15.498 1.00 27.82 ? 103 LEU A CA 1 ATOM 799 C C . LEU A 1 103 ? -27.066 -7.441 -16.308 1.00 28.20 ? 103 LEU A C 1 ATOM 800 O O . LEU A 1 103 ? -27.351 -8.410 -17.019 1.00 28.64 ? 103 LEU A O 1 ATOM 801 C CB . LEU A 1 103 ? -24.614 -6.892 -16.339 1.00 26.57 ? 103 LEU A CB 1 ATOM 802 C CG . LEU A 1 103 ? -23.240 -6.758 -15.665 1.00 26.04 ? 103 LEU A CG 1 ATOM 803 C CD1 . LEU A 1 103 ? -22.178 -6.373 -16.691 1.00 25.20 ? 103 LEU A CD1 1 ATOM 804 C CD2 . LEU A 1 103 ? -23.280 -5.750 -14.516 1.00 24.96 ? 103 LEU A CD2 1 ATOM 805 N N . PRO A 1 104 ? -27.871 -6.367 -16.194 1.00 28.49 ? 104 PRO A N 1 ATOM 806 C CA . PRO A 1 104 ? -29.029 -6.297 -17.096 1.00 29.13 ? 104 PRO A CA 1 ATOM 807 C C . PRO A 1 104 ? -28.556 -6.198 -18.547 1.00 28.84 ? 104 PRO A C 1 ATOM 808 O O . PRO A 1 104 ? -27.371 -5.941 -18.792 1.00 28.05 ? 104 PRO A O 1 ATOM 809 C CB . PRO A 1 104 ? -29.764 -5.019 -16.655 1.00 29.74 ? 104 PRO A CB 1 ATOM 810 C CG . PRO A 1 104 ? -28.848 -4.316 -15.714 1.00 29.26 ? 104 PRO A CG 1 ATOM 811 C CD . PRO A 1 104 ? -27.932 -5.348 -15.134 1.00 28.48 ? 104 PRO A CD 1 ATOM 812 N N . LEU A 1 105 ? -29.462 -6.413 -19.493 1.00 28.29 ? 105 LEU A N 1 ATOM 813 C CA . LEU A 1 105 ? -29.104 -6.482 -20.909 1.00 28.55 ? 105 LEU A CA 1 ATOM 814 C C . LEU A 1 105 ? -28.246 -5.306 -21.421 1.00 27.82 ? 105 LEU A C 1 ATOM 815 O O . LEU A 1 105 ? -27.231 -5.530 -22.088 1.00 27.15 ? 105 LEU A O 1 ATOM 816 C CB . LEU A 1 105 ? -30.359 -6.669 -21.768 1.00 30.15 ? 105 LEU A CB 1 ATOM 817 C CG . LEU A 1 105 ? -30.228 -6.802 -23.288 1.00 31.92 ? 105 LEU A CG 1 ATOM 818 C CD1 . LEU A 1 105 ? -29.265 -7.906 -23.705 1.00 32.51 ? 105 LEU A CD1 1 ATOM 819 C CD2 . LEU A 1 105 ? -31.610 -7.044 -23.895 1.00 33.10 ? 105 LEU A CD2 1 ATOM 820 N N . ALA A 1 106 ? -28.651 -4.071 -21.118 1.00 26.56 ? 106 ALA A N 1 ATOM 821 C CA . ALA A 1 106 ? -27.919 -2.885 -21.583 1.00 25.58 ? 106 ALA A CA 1 ATOM 822 C C . ALA A 1 106 ? -26.472 -2.881 -21.089 1.00 24.66 ? 106 ALA A C 1 ATOM 823 O O . ALA A 1 106 ? -25.559 -2.561 -21.849 1.00 23.78 ? 106 ALA A O 1 ATOM 824 C CB . ALA A 1 106 ? -28.633 -1.603 -21.164 1.00 25.57 ? 106 ALA A CB 1 ATOM 825 N N . LYS A 1 107 ? -26.277 -3.232 -19.817 1.00 23.86 ? 107 LYS A N 1 ATOM 826 C CA . LYS A 1 107 ? -24.942 -3.275 -19.229 1.00 23.89 ? 107 LYS A CA 1 ATOM 827 C C . LYS A 1 107 ? -24.108 -4.455 -19.739 1.00 23.52 ? 107 LYS A C 1 ATOM 828 O O . LYS A 1 107 ? -22.894 -4.329 -19.847 1.00 22.57 ? 107 LYS A O 1 ATOM 829 C CB . LYS A 1 107 ? -24.995 -3.228 -17.696 1.00 23.69 ? 107 LYS A CB 1 ATOM 830 C CG . LYS A 1 107 ? -25.433 -1.871 -17.167 1.00 24.21 ? 107 LYS A CG 1 ATOM 831 C CD . LYS A 1 107 ? -25.436 -1.835 -15.652 1.00 25.46 ? 107 LYS A CD 1 ATOM 832 C CE . LYS A 1 107 ? -25.556 -0.407 -15.131 1.00 26.21 ? 107 LYS A CE 1 ATOM 833 N NZ . LYS A 1 107 ? -25.552 -0.410 -13.638 1.00 27.83 ? 107 LYS A NZ 1 ATOM 834 N N . ARG A 1 108 ? -24.752 -5.581 -20.055 1.00 23.48 ? 108 ARG A N 1 ATOM 835 C CA . ARG A 1 108 ? -24.070 -6.703 -20.714 1.00 24.44 ? 108 ARG A CA 1 ATOM 836 C C . ARG A 1 108 ? -23.461 -6.271 -22.039 1.00 24.57 ? 108 ARG A C 1 ATOM 837 O O . ARG A 1 108 ? -22.316 -6.595 -22.354 1.00 24.45 ? 108 ARG A O 1 ATOM 838 C CB . ARG A 1 108 ? -25.043 -7.846 -21.013 1.00 25.18 ? 108 ARG A CB 1 ATOM 839 C CG . ARG A 1 108 ? -25.131 -8.916 -19.954 1.00 26.01 ? 108 ARG A CG 1 ATOM 840 C CD . ARG A 1 108 ? -26.228 -9.893 -20.345 1.00 27.04 ? 108 ARG A CD 1 ATOM 841 N NE . ARG A 1 108 ? -27.050 -10.261 -19.209 1.00 28.89 ? 108 ARG A NE 1 ATOM 842 C CZ . ARG A 1 108 ? -28.044 -11.148 -19.261 1.00 30.32 ? 108 ARG A CZ 1 ATOM 843 N NH1 . ARG A 1 108 ? -28.332 -11.781 -20.390 1.00 29.84 ? 108 ARG A NH1 1 ATOM 844 N NH2 . ARG A 1 108 ? -28.736 -11.417 -18.170 1.00 33.54 ? 108 ARG A NH2 1 ATOM 845 N N . GLN A 1 109 ? -24.258 -5.559 -22.821 1.00 25.11 ? 109 GLN A N 1 ATOM 846 C CA . GLN A 1 109 ? -23.838 -5.073 -24.117 1.00 25.67 ? 109 GLN A CA 1 ATOM 847 C C . GLN A 1 109 ? -22.712 -4.055 -23.947 1.00 25.19 ? 109 GLN A C 1 ATOM 848 O O . GLN A 1 109 ? -21.733 -4.090 -24.680 1.00 25.02 ? 109 GLN A O 1 ATOM 849 C CB . GLN A 1 109 ? -25.036 -4.480 -24.856 1.00 26.96 ? 109 GLN A CB 1 ATOM 850 C CG . GLN A 1 109 ? -26.064 -5.529 -25.244 1.00 29.06 ? 109 GLN A CG 1 ATOM 851 C CD . GLN A 1 109 ? -27.336 -4.932 -25.810 1.00 30.82 ? 109 GLN A CD 1 ATOM 852 O OE1 . GLN A 1 109 ? -28.051 -4.199 -25.134 1.00 32.11 ? 109 GLN A OE1 1 ATOM 853 N NE2 . GLN A 1 109 ? -27.615 -5.236 -27.058 1.00 32.10 ? 109 GLN A NE2 1 ATOM 854 N N . GLN A 1 110 ? -22.852 -3.170 -22.965 1.00 24.41 ? 110 GLN A N 1 ATOM 855 C CA . GLN A 1 110 ? -21.793 -2.229 -22.624 1.00 25.26 ? 110 GLN A CA 1 ATOM 856 C C . GLN A 1 110 ? -20.492 -2.985 -22.276 1.00 24.09 ? 110 GLN A C 1 ATOM 857 O O . GLN A 1 110 ? -19.437 -2.701 -22.835 1.00 22.86 ? 110 GLN A O 1 ATOM 858 C CB . GLN A 1 110 ? -22.231 -1.316 -21.475 1.00 26.21 ? 110 GLN A CB 1 ATOM 859 C CG . GLN A 1 110 ? -21.297 -0.132 -21.274 1.00 28.51 ? 110 GLN A CG 1 ATOM 860 C CD . GLN A 1 110 ? -21.617 0.694 -20.038 1.00 30.91 ? 110 GLN A CD 1 ATOM 861 O OE1 . GLN A 1 110 ? -22.685 0.554 -19.424 1.00 31.35 ? 110 GLN A OE1 1 ATOM 862 N NE2 . GLN A 1 110 ? -20.681 1.565 -19.659 1.00 31.08 ? 110 GLN A NE2 1 ATOM 863 N N . TYR A 1 111 ? -20.606 -3.982 -21.399 1.00 23.06 ? 111 TYR A N 1 ATOM 864 C CA . TYR A 1 111 ? -19.469 -4.820 -20.985 1.00 23.13 ? 111 TYR A CA 1 ATOM 865 C C . TYR A 1 111 ? -18.774 -5.470 -22.180 1.00 22.55 ? 111 TYR A C 1 ATOM 866 O O . TYR A 1 111 ? -17.559 -5.357 -22.326 1.00 22.27 ? 111 TYR A O 1 ATOM 867 C CB . TYR A 1 111 ? -19.961 -5.891 -20.010 1.00 23.65 ? 111 TYR A CB 1 ATOM 868 C CG . TYR A 1 111 ? -18.900 -6.772 -19.403 1.00 24.03 ? 111 TYR A CG 1 ATOM 869 C CD1 . TYR A 1 111 ? -18.244 -6.393 -18.235 1.00 23.99 ? 111 TYR A CD1 1 ATOM 870 C CD2 . TYR A 1 111 ? -18.579 -8.008 -19.976 1.00 24.37 ? 111 TYR A CD2 1 ATOM 871 C CE1 . TYR A 1 111 ? -17.286 -7.207 -17.658 1.00 24.57 ? 111 TYR A CE1 1 ATOM 872 C CE2 . TYR A 1 111 ? -17.626 -8.835 -19.405 1.00 24.13 ? 111 TYR A CE2 1 ATOM 873 C CZ . TYR A 1 111 ? -16.975 -8.423 -18.255 1.00 24.22 ? 111 TYR A CZ 1 ATOM 874 O OH . TYR A 1 111 ? -16.032 -9.220 -17.670 1.00 24.16 ? 111 TYR A OH 1 ATOM 875 N N . ASN A 1 112 ? -19.548 -6.139 -23.030 1.00 22.61 ? 112 ASN A N 1 ATOM 876 C CA . ASN A 1 112 ? -18.996 -6.842 -24.185 1.00 22.85 ? 112 ASN A CA 1 ATOM 877 C C . ASN A 1 112 ? -18.349 -5.873 -25.175 1.00 22.97 ? 112 ASN A C 1 ATOM 878 O O . ASN A 1 112 ? -17.315 -6.182 -25.744 1.00 23.15 ? 112 ASN A O 1 ATOM 879 C CB . ASN A 1 112 ? -20.067 -7.689 -24.889 1.00 22.53 ? 112 ASN A CB 1 ATOM 880 C CG . ASN A 1 112 ? -20.738 -8.701 -23.961 1.00 22.65 ? 112 ASN A CG 1 ATOM 881 O OD1 . ASN A 1 112 ? -20.184 -9.098 -22.933 1.00 21.79 ? 112 ASN A OD1 1 ATOM 882 N ND2 . ASN A 1 112 ? -21.959 -9.109 -24.315 1.00 22.22 ? 112 ASN A ND2 1 ATOM 883 N N . ALA A 1 113 ? -18.958 -4.702 -25.363 1.00 23.23 ? 113 ALA A N 1 ATOM 884 C CA . ALA A 1 113 ? -18.387 -3.656 -26.222 1.00 24.24 ? 113 ALA A CA 1 ATOM 885 C C . ALA A 1 113 ? -17.071 -3.127 -25.675 1.00 24.20 ? 113 ALA A C 1 ATOM 886 O O . ALA A 1 113 ? -16.150 -2.894 -26.445 1.00 25.36 ? 113 ALA A O 1 ATOM 887 C CB . ALA A 1 113 ? -19.370 -2.512 -26.444 1.00 23.75 ? 113 ALA A CB 1 ATOM 888 N N . LEU A 1 114 ? -16.989 -2.936 -24.356 1.00 23.64 ? 114 LEU A N 1 ATOM 889 C CA . LEU A 1 114 ? -15.754 -2.498 -23.711 1.00 24.05 ? 114 LEU A CA 1 ATOM 890 C C . LEU A 1 114 ? -14.601 -3.481 -23.901 1.00 24.48 ? 114 LEU A C 1 ATOM 891 O O . LEU A 1 114 ? -13.478 -3.062 -24.185 1.00 25.02 ? 114 LEU A O 1 ATOM 892 C CB . LEU A 1 114 ? -15.968 -2.226 -22.219 1.00 23.53 ? 114 LEU A CB 1 ATOM 893 C CG . LEU A 1 114 ? -16.729 -0.944 -21.883 1.00 24.19 ? 114 LEU A CG 1 ATOM 894 C CD1 . LEU A 1 114 ? -17.217 -0.978 -20.441 1.00 23.76 ? 114 LEU A CD1 1 ATOM 895 C CD2 . LEU A 1 114 ? -15.864 0.286 -22.139 1.00 24.33 ? 114 LEU A CD2 1 ATOM 896 N N . LEU A 1 115 ? -14.877 -4.774 -23.739 1.00 24.46 ? 115 LEU A N 1 ATOM 897 C CA . LEU A 1 115 ? -13.848 -5.798 -23.914 1.00 25.42 ? 115 LEU A CA 1 ATOM 898 C C . LEU A 1 115 ? -13.352 -5.820 -25.353 1.00 25.20 ? 115 LEU A C 1 ATOM 899 O O . LEU A 1 115 ? -12.163 -5.979 -25.594 1.00 24.85 ? 115 LEU A O 1 ATOM 900 C CB . LEU A 1 115 ? -14.338 -7.192 -23.510 1.00 25.44 ? 115 LEU A CB 1 ATOM 901 C CG . LEU A 1 115 ? -14.889 -7.480 -22.103 1.00 27.49 ? 115 LEU A CG 1 ATOM 902 C CD1 . LEU A 1 115 ? -15.063 -8.985 -21.878 1.00 25.93 ? 115 LEU A CD1 1 ATOM 903 C CD2 . LEU A 1 115 ? -14.028 -6.877 -21.008 1.00 27.05 ? 115 LEU A CD2 1 ATOM 904 N N . SER A 1 116 ? -14.268 -5.654 -26.306 1.00 25.46 ? 116 SER A N 1 ATOM 905 C CA . SER A 1 116 ? -13.903 -5.623 -27.718 1.00 26.29 ? 116 SER A CA 1 ATOM 906 C C . SER A 1 116 ? -13.053 -4.391 -28.046 1.00 25.87 ? 116 SER A C 1 ATOM 907 O O . SER A 1 116 ? -12.034 -4.493 -28.734 1.00 26.20 ? 116 SER A O 1 ATOM 908 C CB . SER A 1 116 ? -15.161 -5.648 -28.583 1.00 27.58 ? 116 SER A CB 1 ATOM 909 O OG . SER A 1 116 ? -14.818 -5.789 -29.943 1.00 30.96 ? 116 SER A OG 1 ATOM 910 N N . GLN A 1 117 ? -13.466 -3.231 -27.544 1.00 24.99 ? 117 GLN A N 1 ATOM 911 C CA . GLN A 1 117 ? -12.757 -1.985 -27.828 1.00 24.73 ? 117 GLN A CA 1 ATOM 912 C C . GLN A 1 117 ? -11.379 -1.930 -27.160 1.00 23.42 ? 117 GLN A C 1 ATOM 913 O O . GLN A 1 117 ? -10.428 -1.435 -27.752 1.00 22.87 ? 117 GLN A O 1 ATOM 914 C CB . GLN A 1 117 ? -13.592 -0.775 -27.412 1.00 26.12 ? 117 GLN A CB 1 ATOM 915 C CG . GLN A 1 117 ? -14.886 -0.616 -28.203 1.00 28.98 ? 117 GLN A CG 1 ATOM 916 C CD . GLN A 1 117 ? -15.900 0.282 -27.515 1.00 31.14 ? 117 GLN A CD 1 ATOM 917 O OE1 . GLN A 1 117 ? -15.605 0.915 -26.497 1.00 32.46 ? 117 GLN A OE1 1 ATOM 918 N NE2 . GLN A 1 117 ? -17.116 0.328 -28.062 1.00 31.83 ? 117 GLN A NE2 1 ATOM 919 N N . MET A 1 118 ? -11.272 -2.446 -25.936 1.00 22.14 ? 118 MET A N 1 ATOM 920 C CA . MET A 1 118 ? -9.966 -2.501 -25.247 1.00 21.67 ? 118 MET A CA 1 ATOM 921 C C . MET A 1 118 ? -8.995 -3.430 -25.969 1.00 21.80 ? 118 MET A C 1 ATOM 922 O O . MET A 1 118 ? -7.838 -3.077 -26.186 1.00 21.06 ? 118 MET A O 1 ATOM 923 C CB . MET A 1 118 ? -10.127 -2.911 -23.785 1.00 21.30 ? 118 MET A CB 1 ATOM 924 C CG . MET A 1 118 ? -10.738 -1.796 -22.933 1.00 21.39 ? 118 MET A CG 1 ATOM 925 S SD . MET A 1 118 ? -10.561 -2.014 -21.160 1.00 22.39 ? 118 MET A SD 1 ATOM 926 C CE . MET A 1 118 ? -11.483 -3.527 -20.892 1.00 20.60 ? 118 MET A CE 1 ATOM 927 N N . SER A 1 119 ? -9.486 -4.602 -26.352 1.00 22.51 ? 119 SER A N 1 ATOM 928 C CA . SER A 1 119 ? -8.707 -5.564 -27.139 1.00 24.94 ? 119 SER A CA 1 ATOM 929 C C . SER A 1 119 ? -8.207 -4.964 -28.464 1.00 25.50 ? 119 SER A C 1 ATOM 930 O O . SER A 1 119 ? -7.028 -5.093 -28.796 1.00 26.61 ? 119 SER A O 1 ATOM 931 C CB . SER A 1 119 ? -9.551 -6.804 -27.416 1.00 25.67 ? 119 SER A CB 1 ATOM 932 O OG . SER A 1 119 ? -8.848 -7.705 -28.244 1.00 29.56 ? 119 SER A OG 1 ATOM 933 N N . ARG A 1 120 ? -9.101 -4.302 -29.199 1.00 26.55 ? 120 ARG A N 1 ATOM 934 C CA . ARG A 1 120 ? -8.758 -3.653 -30.470 1.00 27.47 ? 120 ARG A CA 1 ATOM 935 C C . ARG A 1 120 ? -7.710 -2.574 -30.282 1.00 26.49 ? 120 ARG A C 1 ATOM 936 O O . ARG A 1 120 ? -6.775 -2.474 -31.072 1.00 25.66 ? 120 ARG A O 1 ATOM 937 C CB . ARG A 1 120 ? -9.992 -3.046 -31.168 1.00 30.50 ? 120 ARG A CB 1 ATOM 938 C CG . ARG A 1 120 ? -9.628 -2.144 -32.361 1.00 34.46 ? 120 ARG A CG 1 ATOM 939 C CD . ARG A 1 120 ? -10.802 -1.495 -33.118 1.00 37.65 ? 120 ARG A CD 1 ATOM 940 N NE . ARG A 1 120 ? -12.005 -1.235 -32.313 1.00 41.13 ? 120 ARG A NE 1 ATOM 941 C CZ . ARG A 1 120 ? -12.152 -0.259 -31.411 1.00 42.83 ? 120 ARG A CZ 1 ATOM 942 N NH1 . ARG A 1 120 ? -11.160 0.588 -31.143 1.00 43.80 ? 120 ARG A NH1 1 ATOM 943 N NH2 . ARG A 1 120 ? -13.303 -0.143 -30.754 1.00 42.02 ? 120 ARG A NH2 1 ATOM 944 N N . ILE A 1 121 ? -7.884 -1.745 -29.258 1.00 25.55 ? 121 ILE A N 1 ATOM 945 C CA . ILE A 1 121 ? -6.920 -0.674 -28.997 1.00 24.76 ? 121 ILE A CA 1 ATOM 946 C C . ILE A 1 121 ? -5.521 -1.239 -28.762 1.00 23.88 ? 121 ILE A C 1 ATOM 947 O O . ILE A 1 121 ? -4.564 -0.772 -29.364 1.00 23.41 ? 121 ILE A O 1 ATOM 948 C CB . ILE A 1 121 ? -7.346 0.220 -27.818 1.00 24.86 ? 121 ILE A CB 1 ATOM 949 C CG1 . ILE A 1 121 ? -8.504 1.128 -28.246 1.00 25.66 ? 121 ILE A CG1 1 ATOM 950 C CG2 . ILE A 1 121 ? -6.167 1.050 -27.312 1.00 25.49 ? 121 ILE A CG2 1 ATOM 951 C CD1 . ILE A 1 121 ? -9.237 1.747 -27.078 1.00 26.21 ? 121 ILE A CD1 1 ATOM 952 N N . TYR A 1 122 ? -5.406 -2.245 -27.895 1.00 22.66 ? 122 TYR A N 1 ATOM 953 C CA . TYR A 1 122 ? -4.092 -2.802 -27.576 1.00 22.15 ? 122 TYR A CA 1 ATOM 954 C C . TYR A 1 122 ? -3.455 -3.443 -28.811 1.00 22.73 ? 122 TYR A C 1 ATOM 955 O O . TYR A 1 122 ? -2.287 -3.205 -29.101 1.00 23.13 ? 122 TYR A O 1 ATOM 956 C CB . TYR A 1 122 ? -4.169 -3.809 -26.413 1.00 20.81 ? 122 TYR A CB 1 ATOM 957 C CG . TYR A 1 122 ? -2.814 -4.380 -26.047 1.00 20.47 ? 122 TYR A CG 1 ATOM 958 C CD1 . TYR A 1 122 ? -2.298 -5.499 -26.712 1.00 20.31 ? 122 TYR A CD1 1 ATOM 959 C CD2 . TYR A 1 122 ? -2.029 -3.779 -25.055 1.00 20.30 ? 122 TYR A CD2 1 ATOM 960 C CE1 . TYR A 1 122 ? -1.038 -6.003 -26.395 1.00 19.99 ? 122 TYR A CE1 1 ATOM 961 C CE2 . TYR A 1 122 ? -0.785 -4.287 -24.719 1.00 20.28 ? 122 TYR A CE2 1 ATOM 962 C CZ . TYR A 1 122 ? -0.283 -5.391 -25.396 1.00 19.99 ? 122 TYR A CZ 1 ATOM 963 O OH . TYR A 1 122 ? 0.963 -5.887 -25.041 1.00 19.52 ? 122 TYR A OH 1 ATOM 964 N N . SER A 1 123 ? -4.226 -4.251 -29.532 1.00 23.35 ? 123 SER A N 1 ATOM 965 C CA . SER A 1 123 ? -3.687 -5.015 -30.653 1.00 24.58 ? 123 SER A CA 1 ATOM 966 C C . SER A 1 123 ? -3.494 -4.239 -31.965 1.00 25.45 ? 123 SER A C 1 ATOM 967 O O . SER A 1 123 ? -2.771 -4.698 -32.848 1.00 26.10 ? 123 SER A O 1 ATOM 968 C CB . SER A 1 123 ? -4.501 -6.293 -30.875 1.00 25.97 ? 123 SER A CB 1 ATOM 969 O OG . SER A 1 123 ? -4.097 -7.261 -29.925 1.00 26.73 ? 123 SER A OG 1 ATOM 970 N N . THR A 1 124 ? -4.107 -3.067 -32.089 1.00 25.16 ? 124 THR A N 1 ATOM 971 C CA . THR A 1 124 ? -3.938 -2.253 -33.295 1.00 26.64 ? 124 THR A CA 1 ATOM 972 C C . THR A 1 124 ? -3.157 -0.956 -33.061 1.00 27.54 ? 124 THR A C 1 ATOM 973 O O . THR A 1 124 ? -2.945 -0.195 -34.001 1.00 28.60 ? 124 THR A O 1 ATOM 974 C CB . THR A 1 124 ? -5.289 -1.892 -33.967 1.00 26.58 ? 124 THR A CB 1 ATOM 975 O OG1 . THR A 1 124 ? -6.065 -1.086 -33.077 1.00 26.24 ? 124 THR A OG1 1 ATOM 976 C CG2 . THR A 1 124 ? -6.085 -3.151 -34.364 1.00 25.82 ? 124 THR A CG2 1 ATOM 977 N N . ALA A 1 125 ? -2.736 -0.701 -31.822 1.00 27.50 ? 125 ALA A N 1 ATOM 978 C CA . ALA A 1 125 ? -1.965 0.510 -31.513 1.00 28.19 ? 125 ALA A CA 1 ATOM 979 C C . ALA A 1 125 ? -0.626 0.528 -32.269 1.00 27.79 ? 125 ALA A C 1 ATOM 980 O O . ALA A 1 125 ? 0.006 -0.509 -32.430 1.00 27.39 ? 125 ALA A O 1 ATOM 981 C CB . ALA A 1 125 ? -1.751 0.647 -30.016 1.00 27.08 ? 125 ALA A CB 1 ATOM 982 N N . LYS A 1 126 ? -0.225 1.705 -32.746 1.00 28.81 ? 126 LYS A N 1 ATOM 983 C CA . LYS A 1 126 ? 0.997 1.868 -33.541 1.00 30.52 ? 126 LYS A CA 1 ATOM 984 C C . LYS A 1 126 ? 1.834 3.026 -33.009 1.00 30.07 ? 126 LYS A C 1 ATOM 985 O O . LYS A 1 126 ? 1.301 3.956 -32.430 1.00 29.31 ? 126 LYS A O 1 ATOM 986 C CB . LYS A 1 126 ? 0.652 2.158 -35.015 1.00 31.89 ? 126 LYS A CB 1 ATOM 987 C CG . LYS A 1 126 ? -0.167 1.094 -35.734 1.00 33.89 ? 126 LYS A CG 1 ATOM 988 C CD . LYS A 1 126 ? 0.666 -0.109 -36.153 1.00 35.41 ? 126 LYS A CD 1 ATOM 989 C CE . LYS A 1 126 ? -0.125 -1.044 -37.065 1.00 37.67 ? 126 LYS A CE 1 ATOM 990 N NZ . LYS A 1 126 ? -1.270 -1.675 -36.338 1.00 37.69 ? 126 LYS A NZ 1 ATOM 991 N N . VAL A 1 127 ? 3.143 2.968 -33.230 1.00 30.99 ? 127 VAL A N 1 ATOM 992 C CA . VAL A 1 127 ? 4.019 4.100 -32.966 1.00 32.66 ? 127 VAL A CA 1 ATOM 993 C C . VAL A 1 127 ? 4.484 4.643 -34.319 1.00 36.51 ? 127 VAL A C 1 ATOM 994 O O . VAL A 1 127 ? 5.140 3.940 -35.086 1.00 36.26 ? 127 VAL A O 1 ATOM 995 C CB . VAL A 1 127 ? 5.224 3.693 -32.097 1.00 31.63 ? 127 VAL A CB 1 ATOM 996 C CG1 . VAL A 1 127 ? 6.247 4.818 -32.016 1.00 31.39 ? 127 VAL A CG1 1 ATOM 997 C CG2 . VAL A 1 127 ? 4.756 3.288 -30.707 1.00 30.29 ? 127 VAL A CG2 1 ATOM 998 N N . CYS A 1 128 ? 4.125 5.888 -34.610 1.00 41.34 ? 128 CYS A N 1 ATOM 999 C CA . CYS A 1 128 ? 4.457 6.505 -35.892 1.00 45.62 ? 128 CYS A CA 1 ATOM 1000 C C . CYS A 1 128 ? 5.641 7.459 -35.751 1.00 46.27 ? 128 CYS A C 1 ATOM 1001 O O . CYS A 1 128 ? 5.788 8.118 -34.725 1.00 45.07 ? 128 CYS A O 1 ATOM 1002 C CB . CYS A 1 128 ? 3.232 7.203 -36.477 1.00 48.98 ? 128 CYS A CB 1 ATOM 1003 S SG . CYS A 1 128 ? 1.817 6.088 -36.700 1.00 56.82 ? 128 CYS A SG 1 ATOM 1004 N N . LEU A 1 129 ? 6.477 7.519 -36.788 1.00 48.81 ? 129 LEU A N 1 ATOM 1005 C CA . LEU A 1 129 ? 7.763 8.235 -36.734 1.00 50.82 ? 129 LEU A CA 1 ATOM 1006 C C . LEU A 1 129 ? 7.622 9.727 -37.025 1.00 51.82 ? 129 LEU A C 1 ATOM 1007 O O . LEU A 1 129 ? 7.162 10.117 -38.096 1.00 52.91 ? 129 LEU A O 1 ATOM 1008 C CB . LEU A 1 129 ? 8.788 7.608 -37.696 1.00 51.33 ? 129 LEU A CB 1 ATOM 1009 C CG . LEU A 1 129 ? 8.857 6.081 -37.894 1.00 51.94 ? 129 LEU A CG 1 ATOM 1010 C CD1 . LEU A 1 129 ? 9.929 5.724 -38.913 1.00 52.91 ? 129 LEU A CD1 1 ATOM 1011 C CD2 . LEU A 1 129 ? 9.085 5.313 -36.597 1.00 51.05 ? 129 LEU A CD2 1 ATOM 1012 N N . LYS A 1 132 ? 9.939 7.949 -43.109 1.00 93.74 ? 132 LYS A N 1 ATOM 1013 C CA . LYS A 1 132 ? 8.744 8.679 -43.520 1.00 95.14 ? 132 LYS A CA 1 ATOM 1014 C C . LYS A 1 132 ? 7.825 8.967 -42.333 1.00 92.60 ? 132 LYS A C 1 ATOM 1015 O O . LYS A 1 132 ? 7.779 8.201 -41.369 1.00 94.10 ? 132 LYS A O 1 ATOM 1016 C CB . LYS A 1 132 ? 7.998 7.911 -44.607 1.00 95.40 ? 132 LYS A CB 1 ATOM 1017 N N . THR A 1 133 ? 7.099 10.081 -42.416 1.00 90.80 ? 133 THR A N 1 ATOM 1018 C CA . THR A 1 133 ? 6.138 10.485 -41.386 1.00 87.61 ? 133 THR A CA 1 ATOM 1019 C C . THR A 1 133 ? 4.865 9.624 -41.395 1.00 85.31 ? 133 THR A C 1 ATOM 1020 O O . THR A 1 133 ? 4.084 9.639 -40.437 1.00 83.55 ? 133 THR A O 1 ATOM 1021 C CB . THR A 1 133 ? 5.780 11.987 -41.506 1.00 89.10 ? 133 THR A CB 1 ATOM 1022 O OG1 . THR A 1 133 ? 4.756 12.322 -40.559 1.00 88.68 ? 133 THR A OG1 1 ATOM 1023 C CG2 . THR A 1 133 ? 5.298 12.335 -42.918 1.00 89.96 ? 133 THR A CG2 1 ATOM 1024 N N . ALA A 1 134 ? 4.674 8.877 -42.483 1.00 83.54 ? 134 ALA A N 1 ATOM 1025 C CA . ALA A 1 134 ? 3.535 7.972 -42.635 1.00 78.37 ? 134 ALA A CA 1 ATOM 1026 C C . ALA A 1 134 ? 3.809 6.568 -42.077 1.00 74.91 ? 134 ALA A C 1 ATOM 1027 O O . ALA A 1 134 ? 2.873 5.829 -41.777 1.00 74.13 ? 134 ALA A O 1 ATOM 1028 C CB . ALA A 1 134 ? 3.123 7.893 -44.099 1.00 77.52 ? 134 ALA A CB 1 ATOM 1029 N N . THR A 1 135 ? 5.088 6.214 -41.939 1.00 70.47 ? 135 THR A N 1 ATOM 1030 C CA . THR A 1 135 ? 5.504 4.884 -41.480 1.00 66.66 ? 135 THR A CA 1 ATOM 1031 C C . THR A 1 135 ? 5.288 4.693 -39.971 1.00 62.42 ? 135 THR A C 1 ATOM 1032 O O . THR A 1 135 ? 5.676 5.550 -39.168 1.00 60.01 ? 135 THR A O 1 ATOM 1033 C CB . THR A 1 135 ? 6.980 4.609 -41.841 1.00 69.51 ? 135 THR A CB 1 ATOM 1034 O OG1 . THR A 1 135 ? 7.182 4.848 -43.241 1.00 73.76 ? 135 THR A OG1 1 ATOM 1035 C CG2 . THR A 1 135 ? 7.380 3.161 -41.510 1.00 70.02 ? 135 THR A CG2 1 ATOM 1036 N N . CYS A 1 136 ? 4.670 3.566 -39.604 1.00 55.88 ? 136 CYS A N 1 ATOM 1037 C CA . CYS A 1 136 ? 4.350 3.257 -38.202 1.00 50.72 ? 136 CYS A CA 1 ATOM 1038 C C . CYS A 1 136 ? 4.780 1.851 -37.777 1.00 46.16 ? 136 CYS A C 1 ATOM 1039 O O . CYS A 1 136 ? 4.696 0.892 -38.556 1.00 44.73 ? 136 CYS A O 1 ATOM 1040 C CB . CYS A 1 136 ? 2.858 3.464 -37.917 1.00 51.89 ? 136 CYS A CB 1 ATOM 1041 S SG . CYS A 1 136 ? 2.214 5.074 -38.432 1.00 56.71 ? 136 CYS A SG 1 ATOM 1042 N N . TRP A 1 137 ? 5.235 1.744 -36.530 1.00 39.90 ? 137 TRP A N 1 ATOM 1043 C CA . TRP A 1 137 ? 5.729 0.490 -35.970 1.00 35.87 ? 137 TRP A CA 1 ATOM 1044 C C . TRP A 1 137 ? 4.683 -0.195 -35.100 1.00 33.07 ? 137 TRP A C 1 ATOM 1045 O O . TRP A 1 137 ? 4.042 0.456 -34.273 1.00 31.28 ? 137 TRP A O 1 ATOM 1046 C CB . TRP A 1 137 ? 6.985 0.749 -35.133 1.00 37.73 ? 137 TRP A CB 1 ATOM 1047 C CG . TRP A 1 137 ? 8.214 1.035 -35.942 1.00 40.21 ? 137 TRP A CG 1 ATOM 1048 C CD1 . TRP A 1 137 ? 8.474 0.614 -37.216 1.00 41.56 ? 137 TRP A CD1 1 ATOM 1049 C CD2 . TRP A 1 137 ? 9.370 1.771 -35.520 1.00 42.01 ? 137 TRP A CD2 1 ATOM 1050 N NE1 . TRP A 1 137 ? 9.709 1.058 -37.620 1.00 42.49 ? 137 TRP A NE1 1 ATOM 1051 C CE2 . TRP A 1 137 ? 10.284 1.768 -36.599 1.00 42.84 ? 137 TRP A CE2 1 ATOM 1052 C CE3 . TRP A 1 137 ? 9.722 2.438 -34.335 1.00 43.88 ? 137 TRP A CE3 1 ATOM 1053 C CZ2 . TRP A 1 137 ? 11.531 2.406 -36.534 1.00 44.50 ? 137 TRP A CZ2 1 ATOM 1054 C CZ3 . TRP A 1 137 ? 10.963 3.078 -34.269 1.00 44.11 ? 137 TRP A CZ3 1 ATOM 1055 C CH2 . TRP A 1 137 ? 11.851 3.057 -35.366 1.00 45.09 ? 137 TRP A CH2 1 ATOM 1056 N N . SER A 1 138 ? 4.511 -1.503 -35.281 1.00 29.55 ? 138 SER A N 1 ATOM 1057 C CA . SER A 1 138 ? 3.619 -2.278 -34.416 1.00 28.44 ? 138 SER A CA 1 ATOM 1058 C C . SER A 1 138 ? 4.408 -2.841 -33.237 1.00 26.20 ? 138 SER A C 1 ATOM 1059 O O . SER A 1 138 ? 5.630 -2.945 -33.302 1.00 25.77 ? 138 SER A O 1 ATOM 1060 C CB . SER A 1 138 ? 2.970 -3.414 -35.207 1.00 28.29 ? 138 SER A CB 1 ATOM 1061 O OG . SER A 1 138 ? 3.977 -4.258 -35.732 1.00 29.10 ? 138 SER A OG 1 ATOM 1062 N N . LEU A 1 139 ? 3.716 -3.215 -32.163 1.00 25.04 ? 139 LEU A N 1 ATOM 1063 C CA . LEU A 1 139 ? 4.389 -3.859 -31.040 1.00 24.32 ? 139 LEU A CA 1 ATOM 1064 C C . LEU A 1 139 ? 5.157 -5.107 -31.496 1.00 24.91 ? 139 LEU A C 1 ATOM 1065 O O . LEU A 1 139 ? 6.341 -5.258 -31.216 1.00 24.88 ? 139 LEU A O 1 ATOM 1066 C CB . LEU A 1 139 ? 3.401 -4.211 -29.921 1.00 22.82 ? 139 LEU A CB 1 ATOM 1067 C CG . LEU A 1 139 ? 3.976 -4.940 -28.704 1.00 22.68 ? 139 LEU A CG 1 ATOM 1068 C CD1 . LEU A 1 139 ? 4.991 -4.071 -27.965 1.00 21.97 ? 139 LEU A CD1 1 ATOM 1069 C CD2 . LEU A 1 139 ? 2.869 -5.406 -27.752 1.00 21.94 ? 139 LEU A CD2 1 ATOM 1070 N N . ASP A 1 140 ? 4.467 -6.000 -32.194 1.00 26.38 ? 140 ASP A N 1 ATOM 1071 C CA . ASP A 1 140 ? 5.048 -7.259 -32.641 1.00 27.54 ? 140 ASP A CA 1 ATOM 1072 C C . ASP A 1 140 ? 4.954 -7.291 -34.168 1.00 27.94 ? 140 ASP A C 1 ATOM 1073 O O . ASP A 1 140 ? 3.842 -7.326 -34.704 1.00 26.86 ? 140 ASP A O 1 ATOM 1074 C CB . ASP A 1 140 ? 4.268 -8.419 -32.013 1.00 28.97 ? 140 ASP A CB 1 ATOM 1075 C CG . ASP A 1 140 ? 4.912 -9.787 -32.246 1.00 31.86 ? 140 ASP A CG 1 ATOM 1076 O OD1 . ASP A 1 140 ? 5.991 -9.876 -32.883 1.00 32.77 ? 140 ASP A OD1 1 ATOM 1077 O OD2 . ASP A 1 140 ? 4.320 -10.795 -31.775 1.00 32.34 ? 140 ASP A OD2 1 ATOM 1078 N N . PRO A 1 141 ? 6.111 -7.314 -34.876 1.00 28.02 ? 141 PRO A N 1 ATOM 1079 C CA . PRO A 1 141 ? 7.497 -7.493 -34.400 1.00 27.57 ? 141 PRO A CA 1 ATOM 1080 C C . PRO A 1 141 ? 8.352 -6.244 -34.141 1.00 27.44 ? 141 PRO A C 1 ATOM 1081 O O . PRO A 1 141 ? 9.389 -6.351 -33.489 1.00 27.71 ? 141 PRO A O 1 ATOM 1082 C CB . PRO A 1 141 ? 8.134 -8.284 -35.546 1.00 27.86 ? 141 PRO A CB 1 ATOM 1083 C CG . PRO A 1 141 ? 7.445 -7.758 -36.764 1.00 28.71 ? 141 PRO A CG 1 ATOM 1084 C CD . PRO A 1 141 ? 6.043 -7.377 -36.354 1.00 28.56 ? 141 PRO A CD 1 ATOM 1085 N N . ASP A 1 142 ? 7.942 -5.090 -34.656 1.00 27.53 ? 142 ASP A N 1 ATOM 1086 C CA . ASP A 1 142 ? 8.824 -3.922 -34.740 1.00 27.43 ? 142 ASP A CA 1 ATOM 1087 C C . ASP A 1 142 ? 9.349 -3.433 -33.383 1.00 27.15 ? 142 ASP A C 1 ATOM 1088 O O . ASP A 1 142 ? 10.551 -3.399 -33.165 1.00 26.29 ? 142 ASP A O 1 ATOM 1089 C CB . ASP A 1 142 ? 8.145 -2.775 -35.494 1.00 28.90 ? 142 ASP A CB 1 ATOM 1090 C CG . ASP A 1 142 ? 7.631 -3.185 -36.868 1.00 30.78 ? 142 ASP A CG 1 ATOM 1091 O OD1 . ASP A 1 142 ? 8.254 -4.056 -37.514 1.00 31.11 ? 142 ASP A OD1 1 ATOM 1092 O OD2 . ASP A 1 142 ? 6.600 -2.620 -37.301 1.00 31.37 ? 142 ASP A OD2 1 ATOM 1093 N N . LEU A 1 143 ? 8.448 -3.049 -32.481 1.00 26.86 ? 143 LEU A N 1 ATOM 1094 C CA . LEU A 1 143 ? 8.863 -2.514 -31.170 1.00 26.75 ? 143 LEU A CA 1 ATOM 1095 C C . LEU A 1 143 ? 9.582 -3.564 -30.314 1.00 26.29 ? 143 LEU A C 1 ATOM 1096 O O . LEU A 1 143 ? 10.571 -3.260 -29.632 1.00 25.58 ? 143 LEU A O 1 ATOM 1097 C CB . LEU A 1 143 ? 7.677 -1.890 -30.427 1.00 26.29 ? 143 LEU A CB 1 ATOM 1098 C CG . LEU A 1 143 ? 6.999 -0.740 -31.186 1.00 27.95 ? 143 LEU A CG 1 ATOM 1099 C CD1 . LEU A 1 143 ? 5.716 -0.305 -30.490 1.00 27.82 ? 143 LEU A CD1 1 ATOM 1100 C CD2 . LEU A 1 143 ? 7.931 0.449 -31.392 1.00 28.34 ? 143 LEU A CD2 1 ATOM 1101 N N . THR A 1 144 ? 9.090 -4.800 -30.388 1.00 25.77 ? 144 THR A N 1 ATOM 1102 C CA . THR A 1 144 ? 9.735 -5.947 -29.761 1.00 25.97 ? 144 THR A CA 1 ATOM 1103 C C . THR A 1 144 ? 11.210 -6.078 -30.190 1.00 26.61 ? 144 THR A C 1 ATOM 1104 O O . THR A 1 144 ? 12.104 -6.172 -29.333 1.00 26.27 ? 144 THR A O 1 ATOM 1105 C CB . THR A 1 144 ? 8.922 -7.230 -30.043 1.00 26.28 ? 144 THR A CB 1 ATOM 1106 O OG1 . THR A 1 144 ? 7.602 -7.068 -29.500 1.00 26.14 ? 144 THR A OG1 1 ATOM 1107 C CG2 . THR A 1 144 ? 9.565 -8.457 -29.409 1.00 26.00 ? 144 THR A CG2 1 ATOM 1108 N N . ASN A 1 145 ? 11.470 -6.019 -31.498 1.00 26.59 ? 145 ASN A N 1 ATOM 1109 C CA . ASN A 1 145 ? 12.840 -6.118 -32.003 1.00 26.88 ? 145 ASN A CA 1 ATOM 1110 C C . ASN A 1 145 ? 13.729 -4.965 -31.540 1.00 26.33 ? 145 ASN A C 1 ATOM 1111 O O . ASN A 1 145 ? 14.891 -5.174 -31.200 1.00 26.90 ? 145 ASN A O 1 ATOM 1112 C CB . ASN A 1 145 ? 12.863 -6.271 -33.534 1.00 28.20 ? 145 ASN A CB 1 ATOM 1113 C CG . ASN A 1 145 ? 12.424 -7.657 -33.982 1.00 29.83 ? 145 ASN A CG 1 ATOM 1114 O OD1 . ASN A 1 145 ? 12.461 -8.606 -33.201 1.00 29.96 ? 145 ASN A OD1 1 ATOM 1115 N ND2 . ASN A 1 145 ? 12.003 -7.780 -35.238 1.00 30.59 ? 145 ASN A ND2 1 ATOM 1116 N N . ILE A 1 146 ? 13.168 -3.763 -31.494 1.00 25.85 ? 146 ILE A N 1 ATOM 1117 C CA . ILE A 1 146 ? 13.903 -2.594 -31.015 1.00 26.16 ? 146 ILE A CA 1 ATOM 1118 C C . ILE A 1 146 ? 14.297 -2.763 -29.542 1.00 25.68 ? 146 ILE A C 1 ATOM 1119 O O . ILE A 1 146 ? 15.476 -2.643 -29.196 1.00 24.60 ? 146 ILE A O 1 ATOM 1120 C CB . ILE A 1 146 ? 13.125 -1.287 -31.283 1.00 26.89 ? 146 ILE A CB 1 ATOM 1121 C CG1 . ILE A 1 146 ? 13.210 -0.957 -32.785 1.00 28.07 ? 146 ILE A CG1 1 ATOM 1122 C CG2 . ILE A 1 146 ? 13.672 -0.137 -30.440 1.00 26.49 ? 146 ILE A CG2 1 ATOM 1123 C CD1 . ILE A 1 146 ? 12.104 -0.066 -33.287 1.00 28.31 ? 146 ILE A CD1 1 ATOM 1124 N N . LEU A 1 147 ? 13.327 -3.080 -28.685 1.00 25.86 ? 147 LEU A N 1 ATOM 1125 C CA . LEU A 1 147 ? 13.637 -3.295 -27.268 1.00 25.59 ? 147 LEU A CA 1 ATOM 1126 C C . LEU A 1 147 ? 14.630 -4.428 -27.038 1.00 26.21 ? 147 LEU A C 1 ATOM 1127 O O . LEU A 1 147 ? 15.413 -4.385 -26.083 1.00 25.81 ? 147 LEU A O 1 ATOM 1128 C CB . LEU A 1 147 ? 12.378 -3.441 -26.413 1.00 26.31 ? 147 LEU A CB 1 ATOM 1129 C CG . LEU A 1 147 ? 12.120 -2.006 -25.920 1.00 27.08 ? 147 LEU A CG 1 ATOM 1130 C CD1 . LEU A 1 147 ? 11.235 -1.215 -26.883 1.00 28.11 ? 147 LEU A CD1 1 ATOM 1131 C CD2 . LEU A 1 147 ? 11.589 -1.945 -24.512 1.00 28.05 ? 147 LEU A CD2 1 ATOM 1132 N N . ALA A 1 148 ? 14.627 -5.404 -27.942 1.00 26.32 ? 148 ALA A N 1 ATOM 1133 C CA . ALA A 1 148 ? 15.500 -6.581 -27.839 1.00 26.52 ? 148 ALA A CA 1 ATOM 1134 C C . ALA A 1 148 ? 16.948 -6.346 -28.299 1.00 26.70 ? 148 ALA A C 1 ATOM 1135 O O . ALA A 1 148 ? 17.869 -6.853 -27.674 1.00 26.80 ? 148 ALA A O 1 ATOM 1136 C CB . ALA A 1 148 ? 14.897 -7.759 -28.601 1.00 25.60 ? 148 ALA A CB 1 ATOM 1137 N N . SER A 1 149 ? 17.149 -5.582 -29.373 1.00 27.20 ? 149 SER A N 1 ATOM 1138 C CA . SER A 1 149 ? 18.465 -5.543 -30.032 1.00 29.13 ? 149 SER A CA 1 ATOM 1139 C C . SER A 1 149 ? 19.085 -4.149 -30.204 1.00 29.74 ? 149 SER A C 1 ATOM 1140 O O . SER A 1 149 ? 20.274 -4.029 -30.522 1.00 31.41 ? 149 SER A O 1 ATOM 1141 C CB . SER A 1 149 ? 18.383 -6.235 -31.391 1.00 29.00 ? 149 SER A CB 1 ATOM 1142 O OG . SER A 1 149 ? 17.657 -5.417 -32.293 1.00 31.09 ? 149 SER A OG 1 ATOM 1143 N N . SER A 1 150 ? 18.291 -3.100 -30.024 1.00 29.22 ? 150 SER A N 1 ATOM 1144 C CA . SER A 1 150 ? 18.841 -1.757 -30.011 1.00 29.41 ? 150 SER A CA 1 ATOM 1145 C C . SER A 1 150 ? 19.519 -1.499 -28.664 1.00 30.82 ? 150 SER A C 1 ATOM 1146 O O . SER A 1 150 ? 19.031 -1.913 -27.603 1.00 29.35 ? 150 SER A O 1 ATOM 1147 C CB . SER A 1 150 ? 17.775 -0.709 -30.311 1.00 29.10 ? 150 SER A CB 1 ATOM 1148 O OG . SER A 1 150 ? 18.247 0.595 -30.024 1.00 28.41 ? 150 SER A OG 1 ATOM 1149 N N . ARG A 1 151 ? 20.672 -0.844 -28.731 1.00 31.12 ? 151 ARG A N 1 ATOM 1150 C CA . ARG A 1 151 ? 21.423 -0.463 -27.546 1.00 32.08 ? 151 ARG A CA 1 ATOM 1151 C C . ARG A 1 151 ? 21.587 1.060 -27.556 1.00 31.91 ? 151 ARG A C 1 ATOM 1152 O O . ARG A 1 151 ? 22.428 1.632 -26.846 1.00 33.11 ? 151 ARG A O 1 ATOM 1153 C CB . ARG A 1 151 ? 22.767 -1.202 -27.498 1.00 33.08 ? 151 ARG A CB 1 ATOM 1154 C CG . ARG A 1 151 ? 22.636 -2.723 -27.520 1.00 34.62 ? 151 ARG A CG 1 ATOM 1155 C CD . ARG A 1 151 ? 22.376 -3.258 -26.123 1.00 36.50 ? 151 ARG A CD 1 ATOM 1156 N NE . ARG A 1 151 ? 21.701 -4.557 -26.085 1.00 37.92 ? 151 ARG A NE 1 ATOM 1157 C CZ . ARG A 1 151 ? 22.304 -5.739 -26.214 1.00 39.92 ? 151 ARG A CZ 1 ATOM 1158 N NH1 . ARG A 1 151 ? 23.613 -5.815 -26.450 1.00 41.40 ? 151 ARG A NH1 1 ATOM 1159 N NH2 . ARG A 1 151 ? 21.588 -6.856 -26.130 1.00 38.52 ? 151 ARG A NH2 1 ATOM 1160 N N . SER A 1 152 ? 20.754 1.710 -28.363 1.00 30.66 ? 152 SER A N 1 ATOM 1161 C CA . SER A 1 152 ? 20.714 3.164 -28.412 1.00 30.53 ? 152 SER A CA 1 ATOM 1162 C C . SER A 1 152 ? 19.696 3.647 -27.395 1.00 29.66 ? 152 SER A C 1 ATOM 1163 O O . SER A 1 152 ? 18.496 3.364 -27.526 1.00 29.37 ? 152 SER A O 1 ATOM 1164 C CB . SER A 1 152 ? 20.359 3.656 -29.819 1.00 30.42 ? 152 SER A CB 1 ATOM 1165 O OG . SER A 1 152 ? 19.816 4.964 -29.775 1.00 31.48 ? 152 SER A OG 1 ATOM 1166 N N . TYR A 1 153 ? 20.182 4.350 -26.375 1.00 28.67 ? 153 TYR A N 1 ATOM 1167 C CA . TYR A 1 153 ? 19.332 4.837 -25.297 1.00 29.35 ? 153 TYR A CA 1 ATOM 1168 C C . TYR A 1 153 ? 18.116 5.618 -25.840 1.00 29.59 ? 153 TYR A C 1 ATOM 1169 O O . TYR A 1 153 ? 16.973 5.372 -25.428 1.00 29.48 ? 153 TYR A O 1 ATOM 1170 C CB . TYR A 1 153 ? 20.140 5.687 -24.293 1.00 29.58 ? 153 TYR A CB 1 ATOM 1171 C CG . TYR A 1 153 ? 19.322 6.100 -23.083 1.00 29.66 ? 153 TYR A CG 1 ATOM 1172 C CD1 . TYR A 1 153 ? 18.390 7.134 -23.176 1.00 29.07 ? 153 TYR A CD1 1 ATOM 1173 C CD2 . TYR A 1 153 ? 19.468 5.449 -21.846 1.00 29.36 ? 153 TYR A CD2 1 ATOM 1174 C CE1 . TYR A 1 153 ? 17.622 7.510 -22.090 1.00 29.03 ? 153 TYR A CE1 1 ATOM 1175 C CE2 . TYR A 1 153 ? 18.694 5.823 -20.747 1.00 28.75 ? 153 TYR A CE2 1 ATOM 1176 C CZ . TYR A 1 153 ? 17.779 6.857 -20.880 1.00 28.78 ? 153 TYR A CZ 1 ATOM 1177 O OH . TYR A 1 153 ? 16.997 7.264 -19.825 1.00 28.54 ? 153 TYR A OH 1 ATOM 1178 N N . ALA A 1 154 ? 18.374 6.539 -26.771 1.00 29.07 ? 154 ALA A N 1 ATOM 1179 C CA . ALA A 1 154 ? 17.339 7.386 -27.375 1.00 29.01 ? 154 ALA A CA 1 ATOM 1180 C C . ALA A 1 154 ? 16.344 6.592 -28.223 1.00 28.08 ? 154 ALA A C 1 ATOM 1181 O O . ALA A 1 154 ? 15.146 6.883 -28.213 1.00 28.08 ? 154 ALA A O 1 ATOM 1182 C CB . ALA A 1 154 ? 17.979 8.499 -28.210 1.00 29.42 ? 154 ALA A CB 1 ATOM 1183 N N . MET A 1 155 ? 16.832 5.598 -28.958 1.00 27.68 ? 155 MET A N 1 ATOM 1184 C CA . MET A 1 155 ? 15.939 4.762 -29.763 1.00 28.66 ? 155 MET A CA 1 ATOM 1185 C C . MET A 1 155 ? 15.039 3.878 -28.903 1.00 26.37 ? 155 MET A C 1 ATOM 1186 O O . MET A 1 155 ? 13.849 3.721 -29.183 1.00 25.36 ? 155 MET A O 1 ATOM 1187 C CB . MET A 1 155 ? 16.709 3.892 -30.751 1.00 31.04 ? 155 MET A CB 1 ATOM 1188 C CG . MET A 1 155 ? 15.798 2.986 -31.564 1.00 33.38 ? 155 MET A CG 1 ATOM 1189 S SD . MET A 1 155 ? 14.911 3.780 -32.923 1.00 38.51 ? 155 MET A SD 1 ATOM 1190 C CE . MET A 1 155 ? 13.991 5.105 -32.167 1.00 38.57 ? 155 MET A CE 1 ATOM 1191 N N . LEU A 1 156 ? 15.626 3.282 -27.875 1.00 25.01 ? 156 LEU A N 1 ATOM 1192 C CA . LEU A 1 156 ? 14.853 2.500 -26.898 1.00 24.17 ? 156 LEU A CA 1 ATOM 1193 C C . LEU A 1 156 ? 13.794 3.369 -26.215 1.00 23.94 ? 156 LEU A C 1 ATOM 1194 O O . LEU A 1 156 ? 12.659 2.916 -25.993 1.00 24.85 ? 156 LEU A O 1 ATOM 1195 C CB . LEU A 1 156 ? 15.787 1.866 -25.863 1.00 22.74 ? 156 LEU A CB 1 ATOM 1196 C CG . LEU A 1 156 ? 16.758 0.792 -26.346 1.00 22.17 ? 156 LEU A CG 1 ATOM 1197 C CD1 . LEU A 1 156 ? 17.811 0.494 -25.285 1.00 21.88 ? 156 LEU A CD1 1 ATOM 1198 C CD2 . LEU A 1 156 ? 16.032 -0.479 -26.750 1.00 21.31 ? 156 LEU A CD2 1 ATOM 1199 N N . LEU A 1 157 ? 14.158 4.612 -25.886 1.00 23.93 ? 157 LEU A N 1 ATOM 1200 C CA . LEU A 1 157 ? 13.230 5.526 -25.223 1.00 24.03 ? 157 LEU A CA 1 ATOM 1201 C C . LEU A 1 157 ? 12.067 5.873 -26.133 1.00 24.27 ? 157 LEU A C 1 ATOM 1202 O O . LEU A 1 157 ? 10.914 5.947 -25.687 1.00 23.23 ? 157 LEU A O 1 ATOM 1203 C CB . LEU A 1 157 ? 13.935 6.808 -24.753 1.00 24.00 ? 157 LEU A CB 1 ATOM 1204 C CG . LEU A 1 157 ? 13.071 7.904 -24.122 1.00 24.61 ? 157 LEU A CG 1 ATOM 1205 C CD1 . LEU A 1 157 ? 12.250 7.349 -22.969 1.00 25.01 ? 157 LEU A CD1 1 ATOM 1206 C CD2 . LEU A 1 157 ? 13.920 9.080 -23.649 1.00 24.94 ? 157 LEU A CD2 1 ATOM 1207 N N . PHE A 1 158 ? 12.374 6.089 -27.413 1.00 25.12 ? 158 PHE A N 1 ATOM 1208 C CA . PHE A 1 158 ? 11.345 6.417 -28.386 1.00 25.50 ? 158 PHE A CA 1 ATOM 1209 C C . PHE A 1 158 ? 10.346 5.272 -28.507 1.00 24.44 ? 158 PHE A C 1 ATOM 1210 O O . PHE A 1 158 ? 9.131 5.498 -28.533 1.00 24.67 ? 158 PHE A O 1 ATOM 1211 C CB . PHE A 1 158 ? 11.964 6.762 -29.748 1.00 27.52 ? 158 PHE A CB 1 ATOM 1212 C CG . PHE A 1 158 ? 10.950 6.973 -30.830 1.00 29.62 ? 158 PHE A CG 1 ATOM 1213 C CD1 . PHE A 1 158 ? 10.377 8.224 -31.026 1.00 31.01 ? 158 PHE A CD1 1 ATOM 1214 C CD2 . PHE A 1 158 ? 10.542 5.916 -31.634 1.00 30.33 ? 158 PHE A CD2 1 ATOM 1215 C CE1 . PHE A 1 158 ? 9.422 8.422 -32.015 1.00 31.95 ? 158 PHE A CE1 1 ATOM 1216 C CE2 . PHE A 1 158 ? 9.592 6.105 -32.623 1.00 31.60 ? 158 PHE A CE2 1 ATOM 1217 C CZ . PHE A 1 158 ? 9.030 7.358 -32.811 1.00 32.26 ? 158 PHE A CZ 1 ATOM 1218 N N . ALA A 1 159 ? 10.857 4.047 -28.566 1.00 22.63 ? 159 ALA A N 1 ATOM 1219 C CA . ALA A 1 159 ? 9.995 2.870 -28.632 1.00 21.72 ? 159 ALA A CA 1 ATOM 1220 C C . ALA A 1 159 ? 9.193 2.672 -27.321 1.00 20.87 ? 159 ALA A C 1 ATOM 1221 O O . ALA A 1 159 ? 7.994 2.440 -27.363 1.00 20.44 ? 159 ALA A O 1 ATOM 1222 C CB . ALA A 1 159 ? 10.812 1.633 -28.962 1.00 20.52 ? 159 ALA A CB 1 ATOM 1223 N N . TRP A 1 160 ? 9.857 2.788 -26.174 1.00 20.35 ? 160 TRP A N 1 ATOM 1224 C CA . TRP A 1 160 ? 9.176 2.639 -24.863 1.00 19.79 ? 160 TRP A CA 1 ATOM 1225 C C . TRP A 1 160 ? 8.067 3.674 -24.622 1.00 20.04 ? 160 TRP A C 1 ATOM 1226 O O . TRP A 1 160 ? 6.923 3.337 -24.260 1.00 19.49 ? 160 TRP A O 1 ATOM 1227 C CB . TRP A 1 160 ? 10.204 2.694 -23.727 1.00 18.57 ? 160 TRP A CB 1 ATOM 1228 C CG . TRP A 1 160 ? 9.628 2.334 -22.379 1.00 18.00 ? 160 TRP A CG 1 ATOM 1229 C CD1 . TRP A 1 160 ? 9.662 1.109 -21.776 1.00 17.31 ? 160 TRP A CD1 1 ATOM 1230 C CD2 . TRP A 1 160 ? 8.942 3.207 -21.476 1.00 17.75 ? 160 TRP A CD2 1 ATOM 1231 N NE1 . TRP A 1 160 ? 9.061 1.167 -20.548 1.00 16.83 ? 160 TRP A NE1 1 ATOM 1232 C CE2 . TRP A 1 160 ? 8.590 2.437 -20.342 1.00 17.30 ? 160 TRP A CE2 1 ATOM 1233 C CE3 . TRP A 1 160 ? 8.588 4.561 -21.513 1.00 17.87 ? 160 TRP A CE3 1 ATOM 1234 C CZ2 . TRP A 1 160 ? 7.899 2.972 -19.249 1.00 17.35 ? 160 TRP A CZ2 1 ATOM 1235 C CZ3 . TRP A 1 160 ? 7.883 5.101 -20.415 1.00 18.31 ? 160 TRP A CZ3 1 ATOM 1236 C CH2 . TRP A 1 160 ? 7.552 4.301 -19.302 1.00 17.84 ? 160 TRP A CH2 1 ATOM 1237 N N . GLU A 1 161 ? 8.414 4.941 -24.811 1.00 21.28 ? 161 GLU A N 1 ATOM 1238 C CA . GLU A 1 161 ? 7.465 6.035 -24.648 1.00 22.76 ? 161 GLU A CA 1 ATOM 1239 C C . GLU A 1 161 ? 6.342 5.964 -25.685 1.00 22.07 ? 161 GLU A C 1 ATOM 1240 O O . GLU A 1 161 ? 5.170 6.118 -25.350 1.00 20.92 ? 161 GLU A O 1 ATOM 1241 C CB . GLU A 1 161 ? 8.199 7.375 -24.728 1.00 25.66 ? 161 GLU A CB 1 ATOM 1242 C CG . GLU A 1 161 ? 7.324 8.597 -24.510 1.00 29.73 ? 161 GLU A CG 1 ATOM 1243 C CD . GLU A 1 161 ? 8.103 9.894 -24.640 1.00 31.41 ? 161 GLU A CD 1 ATOM 1244 O OE1 . GLU A 1 161 ? 8.995 9.996 -25.504 1.00 34.68 ? 161 GLU A OE1 1 ATOM 1245 O OE2 . GLU A 1 161 ? 7.818 10.825 -23.877 1.00 33.94 ? 161 GLU A OE2 1 ATOM 1246 N N . GLY A 1 162 ? 6.709 5.711 -26.940 1.00 22.08 ? 162 GLY A N 1 ATOM 1247 C CA . GLY A 1 162 ? 5.730 5.613 -28.009 1.00 21.69 ? 162 GLY A CA 1 ATOM 1248 C C . GLY A 1 162 ? 4.677 4.558 -27.722 1.00 20.98 ? 162 GLY A C 1 ATOM 1249 O O . GLY A 1 162 ? 3.477 4.837 -27.803 1.00 21.26 ? 162 GLY A O 1 ATOM 1250 N N . TRP A 1 163 ? 5.116 3.344 -27.397 1.00 20.44 ? 163 TRP A N 1 ATOM 1251 C CA . TRP A 1 163 ? 4.173 2.269 -27.073 1.00 20.13 ? 163 TRP A CA 1 ATOM 1252 C C . TRP A 1 163 ? 3.280 2.589 -25.864 1.00 19.65 ? 163 TRP A C 1 ATOM 1253 O O . TRP A 1 163 ? 2.056 2.445 -25.927 1.00 18.87 ? 163 TRP A O 1 ATOM 1254 C CB . TRP A 1 163 ? 4.887 0.931 -26.822 1.00 19.83 ? 163 TRP A CB 1 ATOM 1255 C CG . TRP A 1 163 ? 3.888 -0.121 -26.488 1.00 20.06 ? 163 TRP A CG 1 ATOM 1256 C CD1 . TRP A 1 163 ? 3.737 -0.767 -25.294 1.00 20.03 ? 163 TRP A CD1 1 ATOM 1257 C CD2 . TRP A 1 163 ? 2.847 -0.606 -27.344 1.00 20.76 ? 163 TRP A CD2 1 ATOM 1258 N NE1 . TRP A 1 163 ? 2.677 -1.642 -25.361 1.00 20.34 ? 163 TRP A NE1 1 ATOM 1259 C CE2 . TRP A 1 163 ? 2.112 -1.562 -26.608 1.00 20.70 ? 163 TRP A CE2 1 ATOM 1260 C CE3 . TRP A 1 163 ? 2.477 -0.339 -28.673 1.00 21.41 ? 163 TRP A CE3 1 ATOM 1261 C CZ2 . TRP A 1 163 ? 1.024 -2.255 -27.152 1.00 21.00 ? 163 TRP A CZ2 1 ATOM 1262 C CZ3 . TRP A 1 163 ? 1.382 -1.015 -29.210 1.00 21.79 ? 163 TRP A CZ3 1 ATOM 1263 C CH2 . TRP A 1 163 ? 0.671 -1.970 -28.443 1.00 21.73 ? 163 TRP A CH2 1 ATOM 1264 N N . HIS A 1 164 ? 3.898 3.001 -24.760 1.00 19.46 ? 164 HIS A N 1 ATOM 1265 C CA . HIS A 1 164 ? 3.137 3.260 -23.532 1.00 20.18 ? 164 HIS A CA 1 ATOM 1266 C C . HIS A 1 164 ? 2.080 4.339 -23.739 1.00 21.11 ? 164 HIS A C 1 ATOM 1267 O O . HIS A 1 164 ? 0.928 4.179 -23.302 1.00 21.35 ? 164 HIS A O 1 ATOM 1268 C CB . HIS A 1 164 ? 4.078 3.523 -22.347 1.00 19.64 ? 164 HIS A CB 1 ATOM 1269 C CG . HIS A 1 164 ? 4.640 2.260 -21.763 1.00 19.62 ? 164 HIS A CG 1 ATOM 1270 N ND1 . HIS A 1 164 ? 5.727 1.607 -22.304 1.00 20.08 ? 164 HIS A ND1 1 ATOM 1271 C CD2 . HIS A 1 164 ? 4.229 1.499 -20.722 1.00 20.07 ? 164 HIS A CD2 1 ATOM 1272 C CE1 . HIS A 1 164 ? 5.981 0.515 -21.602 1.00 20.27 ? 164 HIS A CE1 1 ATOM 1273 N NE2 . HIS A 1 164 ? 5.083 0.422 -20.639 1.00 20.32 ? 164 HIS A NE2 1 ATOM 1274 N N . ASN A 1 165 ? 2.455 5.391 -24.471 1.00 21.72 ? 165 ASN A N 1 ATOM 1275 C CA . ASN A 1 165 ? 1.519 6.444 -24.859 1.00 23.11 ? 165 ASN A CA 1 ATOM 1276 C C . ASN A 1 165 ? 0.418 5.978 -25.822 1.00 23.28 ? 165 ASN A C 1 ATOM 1277 O O . ASN A 1 165 ? -0.748 6.307 -25.622 1.00 23.58 ? 165 ASN A O 1 ATOM 1278 C CB . ASN A 1 165 ? 2.264 7.637 -25.460 1.00 22.97 ? 165 ASN A CB 1 ATOM 1279 C CG . ASN A 1 165 ? 3.068 8.411 -24.427 1.00 23.94 ? 165 ASN A CG 1 ATOM 1280 O OD1 . ASN A 1 165 ? 2.930 8.197 -23.223 1.00 24.33 ? 165 ASN A OD1 1 ATOM 1281 N ND2 . ASN A 1 165 ? 3.907 9.328 -24.898 1.00 23.42 ? 165 ASN A ND2 1 ATOM 1282 N N . ALA A 1 166 ? 0.800 5.232 -26.864 1.00 23.34 ? 166 ALA A N 1 ATOM 1283 C CA . ALA A 1 166 ? -0.146 4.742 -27.867 1.00 23.26 ? 166 ALA A CA 1 ATOM 1284 C C . ALA A 1 166 ? -1.182 3.784 -27.285 1.00 23.29 ? 166 ALA A C 1 ATOM 1285 O O . ALA A 1 166 ? -2.374 3.923 -27.552 1.00 22.54 ? 166 ALA A O 1 ATOM 1286 C CB . ALA A 1 166 ? 0.588 4.081 -29.027 1.00 23.80 ? 166 ALA A CB 1 ATOM 1287 N N . ALA A 1 167 ? -0.729 2.822 -26.483 1.00 22.48 ? 167 ALA A N 1 ATOM 1288 C CA . ALA A 1 167 ? -1.633 1.805 -25.947 1.00 22.49 ? 167 ALA A CA 1 ATOM 1289 C C . ALA A 1 167 ? -2.374 2.316 -24.720 1.00 22.02 ? 167 ALA A C 1 ATOM 1290 O O . ALA A 1 167 ? -3.585 2.181 -24.642 1.00 22.12 ? 167 ALA A O 1 ATOM 1291 C CB . ALA A 1 167 ? -0.875 0.515 -25.620 1.00 21.60 ? 167 ALA A CB 1 ATOM 1292 N N . GLY A 1 168 ? -1.641 2.923 -23.784 1.00 21.96 ? 168 GLY A N 1 ATOM 1293 C CA . GLY A 1 168 ? -2.177 3.281 -22.459 1.00 21.57 ? 168 GLY A CA 1 ATOM 1294 C C . GLY A 1 168 ? -3.170 4.426 -22.399 1.00 21.70 ? 168 GLY A C 1 ATOM 1295 O O . GLY A 1 168 ? -4.245 4.284 -21.818 1.00 21.69 ? 168 GLY A O 1 ATOM 1296 N N . ILE A 1 169 ? -2.824 5.567 -22.995 1.00 22.70 ? 169 ILE A N 1 ATOM 1297 C CA . ILE A 1 169 ? -3.684 6.758 -22.898 1.00 23.43 ? 169 ILE A CA 1 ATOM 1298 C C . ILE A 1 169 ? -5.152 6.531 -23.321 1.00 23.90 ? 169 ILE A C 1 ATOM 1299 O O . ILE A 1 169 ? -6.062 6.826 -22.533 1.00 24.63 ? 169 ILE A O 1 ATOM 1300 C CB . ILE A 1 169 ? -3.062 8.007 -23.565 1.00 23.74 ? 169 ILE A CB 1 ATOM 1301 C CG1 . ILE A 1 169 ? -1.729 8.345 -22.879 1.00 23.16 ? 169 ILE A CG1 1 ATOM 1302 C CG2 . ILE A 1 169 ? -4.039 9.187 -23.500 1.00 24.21 ? 169 ILE A CG2 1 ATOM 1303 C CD1 . ILE A 1 169 ? -0.832 9.310 -23.637 1.00 22.79 ? 169 ILE A CD1 1 ATOM 1304 N N . PRO A 1 170 ? -5.397 5.978 -24.531 1.00 23.84 ? 170 PRO A N 1 ATOM 1305 C CA . PRO A 1 170 ? -6.814 5.803 -24.881 1.00 24.08 ? 170 PRO A CA 1 ATOM 1306 C C . PRO A 1 170 ? -7.540 4.662 -24.156 1.00 23.49 ? 170 PRO A C 1 ATOM 1307 O O . PRO A 1 170 ? -8.757 4.623 -24.182 1.00 23.80 ? 170 PRO A O 1 ATOM 1308 C CB . PRO A 1 170 ? -6.793 5.546 -26.397 1.00 24.14 ? 170 PRO A CB 1 ATOM 1309 C CG . PRO A 1 170 ? -5.418 5.067 -26.698 1.00 25.10 ? 170 PRO A CG 1 ATOM 1310 C CD . PRO A 1 170 ? -4.495 5.635 -25.652 1.00 24.00 ? 170 PRO A CD 1 ATOM 1311 N N . LEU A 1 171 ? -6.813 3.756 -23.512 1.00 22.65 ? 171 LEU A N 1 ATOM 1312 C CA . LEU A 1 171 ? -7.455 2.673 -22.763 1.00 22.30 ? 171 LEU A CA 1 ATOM 1313 C C . LEU A 1 171 ? -8.078 3.107 -21.445 1.00 21.86 ? 171 LEU A C 1 ATOM 1314 O O . LEU A 1 171 ? -9.055 2.500 -20.989 1.00 21.76 ? 171 LEU A O 1 ATOM 1315 C CB . LEU A 1 171 ? -6.474 1.531 -22.490 1.00 21.93 ? 171 LEU A CB 1 ATOM 1316 C CG . LEU A 1 171 ? -6.255 0.551 -23.639 1.00 22.55 ? 171 LEU A CG 1 ATOM 1317 C CD1 . LEU A 1 171 ? -5.143 -0.422 -23.275 1.00 22.64 ? 171 LEU A CD1 1 ATOM 1318 C CD2 . LEU A 1 171 ? -7.544 -0.195 -23.966 1.00 21.90 ? 171 LEU A CD2 1 ATOM 1319 N N . LYS A 1 172 ? -7.524 4.150 -20.839 1.00 21.28 ? 172 LYS A N 1 ATOM 1320 C CA . LYS A 1 172 ? -7.904 4.507 -19.465 1.00 21.88 ? 172 LYS A CA 1 ATOM 1321 C C . LYS A 1 172 ? -9.408 4.720 -19.240 1.00 21.71 ? 172 LYS A C 1 ATOM 1322 O O . LYS A 1 172 ? -9.981 4.096 -18.338 1.00 21.45 ? 172 LYS A O 1 ATOM 1323 C CB . LYS A 1 172 ? -7.085 5.683 -18.904 1.00 22.33 ? 172 LYS A CB 1 ATOM 1324 C CG . LYS A 1 172 ? -7.362 5.890 -17.419 1.00 22.97 ? 172 LYS A CG 1 ATOM 1325 C CD . LYS A 1 172 ? -6.466 6.907 -16.758 1.00 24.48 ? 172 LYS A CD 1 ATOM 1326 C CE . LYS A 1 172 ? -6.908 7.098 -15.310 1.00 25.35 ? 172 LYS A CE 1 ATOM 1327 N NZ . LYS A 1 172 ? -6.170 8.209 -14.645 1.00 26.29 ? 172 LYS A NZ 1 ATOM 1328 N N . PRO A 1 173 ? -10.057 5.586 -20.044 1.00 22.10 ? 173 PRO A N 1 ATOM 1329 C CA . PRO A 1 173 ? -11.483 5.755 -19.757 1.00 22.38 ? 173 PRO A CA 1 ATOM 1330 C C . PRO A 1 173 ? -12.279 4.458 -19.884 1.00 22.24 ? 173 PRO A C 1 ATOM 1331 O O . PRO A 1 173 ? -13.164 4.215 -19.072 1.00 22.00 ? 173 PRO A O 1 ATOM 1332 C CB . PRO A 1 173 ? -11.944 6.827 -20.764 1.00 22.77 ? 173 PRO A CB 1 ATOM 1333 C CG . PRO A 1 173 ? -10.902 6.844 -21.827 1.00 23.50 ? 173 PRO A CG 1 ATOM 1334 C CD . PRO A 1 173 ? -9.608 6.430 -21.171 1.00 22.26 ? 173 PRO A CD 1 ATOM 1335 N N . LEU A 1 174 ? -11.935 3.613 -20.855 1.00 21.94 ? 174 LEU A N 1 ATOM 1336 C CA . LEU A 1 174 ? -12.606 2.328 -21.027 1.00 21.78 ? 174 LEU A CA 1 ATOM 1337 C C . LEU A 1 174 ? -12.368 1.391 -19.845 1.00 21.04 ? 174 LEU A C 1 ATOM 1338 O O . LEU A 1 174 ? -13.288 0.695 -19.404 1.00 19.78 ? 174 LEU A O 1 ATOM 1339 C CB . LEU A 1 174 ? -12.151 1.637 -22.321 1.00 23.01 ? 174 LEU A CB 1 ATOM 1340 C CG . LEU A 1 174 ? -12.350 2.354 -23.664 1.00 24.55 ? 174 LEU A CG 1 ATOM 1341 C CD1 . LEU A 1 174 ? -11.876 1.435 -24.781 1.00 25.56 ? 174 LEU A CD1 1 ATOM 1342 C CD2 . LEU A 1 174 ? -13.802 2.739 -23.894 1.00 25.90 ? 174 LEU A CD2 1 ATOM 1343 N N . TYR A 1 175 ? -11.129 1.380 -19.342 1.00 19.69 ? 175 TYR A N 1 ATOM 1344 C CA . TYR A 1 175 ? -10.754 0.482 -18.253 1.00 19.79 ? 175 TYR A CA 1 ATOM 1345 C C . TYR A 1 175 ? -11.475 0.817 -16.936 1.00 20.31 ? 175 TYR A C 1 ATOM 1346 O O . TYR A 1 175 ? -11.833 -0.079 -16.161 1.00 19.88 ? 175 TYR A O 1 ATOM 1347 C CB . TYR A 1 175 ? -9.222 0.398 -18.055 1.00 19.52 ? 175 TYR A CB 1 ATOM 1348 C CG . TYR A 1 175 ? -8.859 -0.801 -17.202 1.00 19.28 ? 175 TYR A CG 1 ATOM 1349 C CD1 . TYR A 1 175 ? -8.769 -2.078 -17.768 1.00 19.47 ? 175 TYR A CD1 1 ATOM 1350 C CD2 . TYR A 1 175 ? -8.675 -0.672 -15.828 1.00 18.67 ? 175 TYR A CD2 1 ATOM 1351 C CE1 . TYR A 1 175 ? -8.504 -3.195 -16.978 1.00 19.29 ? 175 TYR A CE1 1 ATOM 1352 C CE2 . TYR A 1 175 ? -8.385 -1.774 -15.033 1.00 19.20 ? 175 TYR A CE2 1 ATOM 1353 C CZ . TYR A 1 175 ? -8.298 -3.033 -15.617 1.00 19.04 ? 175 TYR A CZ 1 ATOM 1354 O OH . TYR A 1 175 ? -8.023 -4.138 -14.839 1.00 19.15 ? 175 TYR A OH 1 ATOM 1355 N N . GLU A 1 176 ? -11.696 2.104 -16.702 1.00 20.93 ? 176 GLU A N 1 ATOM 1356 C CA . GLU A 1 176 ? -12.488 2.541 -15.557 1.00 22.18 ? 176 GLU A CA 1 ATOM 1357 C C . GLU A 1 176 ? -13.912 1.993 -15.642 1.00 21.62 ? 176 GLU A C 1 ATOM 1358 O O . GLU A 1 176 ? -14.446 1.495 -14.654 1.00 21.08 ? 176 GLU A O 1 ATOM 1359 C CB . GLU A 1 176 ? -12.540 4.062 -15.485 1.00 24.10 ? 176 GLU A CB 1 ATOM 1360 C CG . GLU A 1 176 ? -11.191 4.744 -15.494 1.00 26.95 ? 176 GLU A CG 1 ATOM 1361 C CD . GLU A 1 176 ? -11.337 6.255 -15.496 1.00 30.07 ? 176 GLU A CD 1 ATOM 1362 O OE1 . GLU A 1 176 ? -12.409 6.747 -15.028 1.00 30.19 ? 176 GLU A OE1 1 ATOM 1363 O OE2 . GLU A 1 176 ? -10.385 6.938 -15.954 1.00 29.31 ? 176 GLU A OE2 1 ATOM 1364 N N . ASP A 1 177 ? -14.504 2.068 -16.831 1.00 21.94 ? 177 ASP A N 1 ATOM 1365 C CA . ASP A 1 177 ? -15.894 1.642 -17.026 1.00 22.95 ? 177 ASP A CA 1 ATOM 1366 C C . ASP A 1 177 ? -16.019 0.137 -16.873 1.00 21.95 ? 177 ASP A C 1 ATOM 1367 O O . ASP A 1 177 ? -16.999 -0.354 -16.297 1.00 21.93 ? 177 ASP A O 1 ATOM 1368 C CB . ASP A 1 177 ? -16.421 2.065 -18.402 1.00 24.19 ? 177 ASP A CB 1 ATOM 1369 C CG . ASP A 1 177 ? -16.681 3.566 -18.501 1.00 25.97 ? 177 ASP A CG 1 ATOM 1370 O OD1 . ASP A 1 177 ? -16.616 4.265 -17.470 1.00 27.14 ? 177 ASP A OD1 1 ATOM 1371 O OD2 . ASP A 1 177 ? -16.941 4.045 -19.623 1.00 26.90 ? 177 ASP A OD2 1 ATOM 1372 N N . PHE A 1 178 ? -15.033 -0.582 -17.414 1.00 20.59 ? 178 PHE A N 1 ATOM 1373 C CA . PHE A 1 178 ? -14.975 -2.044 -17.296 1.00 19.68 ? 178 PHE A CA 1 ATOM 1374 C C . PHE A 1 178 ? -14.907 -2.469 -15.830 1.00 19.14 ? 178 PHE A C 1 ATOM 1375 O O . PHE A 1 178 ? -15.615 -3.376 -15.412 1.00 19.24 ? 178 PHE A O 1 ATOM 1376 C CB . PHE A 1 178 ? -13.778 -2.652 -18.054 1.00 19.34 ? 178 PHE A CB 1 ATOM 1377 C CG . PHE A 1 178 ? -13.290 -3.941 -17.435 1.00 19.69 ? 178 PHE A CG 1 ATOM 1378 C CD1 . PHE A 1 178 ? -13.964 -5.135 -17.669 1.00 19.68 ? 178 PHE A CD1 1 ATOM 1379 C CD2 . PHE A 1 178 ? -12.197 -3.951 -16.573 1.00 19.42 ? 178 PHE A CD2 1 ATOM 1380 C CE1 . PHE A 1 178 ? -13.549 -6.310 -17.062 1.00 19.46 ? 178 PHE A CE1 1 ATOM 1381 C CE2 . PHE A 1 178 ? -11.774 -5.128 -15.968 1.00 19.62 ? 178 PHE A CE2 1 ATOM 1382 C CZ . PHE A 1 178 ? -12.457 -6.306 -16.205 1.00 19.51 ? 178 PHE A CZ 1 ATOM 1383 N N . THR A 1 179 ? -14.034 -1.826 -15.059 1.00 18.84 ? 179 THR A N 1 ATOM 1384 C CA . THR A 1 179 ? -13.837 -2.187 -13.657 1.00 18.38 ? 179 THR A CA 1 ATOM 1385 C C . THR A 1 179 ? -15.136 -2.080 -12.876 1.00 18.01 ? 179 THR A C 1 ATOM 1386 O O . THR A 1 179 ? -15.465 -2.985 -12.102 1.00 17.41 ? 179 THR A O 1 ATOM 1387 C CB . THR A 1 179 ? -12.737 -1.327 -13.003 1.00 18.46 ? 179 THR A CB 1 ATOM 1388 O OG1 . THR A 1 179 ? -11.490 -1.593 -13.656 1.00 19.13 ? 179 THR A OG1 1 ATOM 1389 C CG2 . THR A 1 179 ? -12.600 -1.652 -11.516 1.00 18.57 ? 179 THR A CG2 1 ATOM 1390 N N . ALA A 1 180 ? -15.874 -0.986 -13.090 1.00 18.40 ? 180 ALA A N 1 ATOM 1391 C CA . ALA A 1 180 ? -17.158 -0.761 -12.411 1.00 18.47 ? 180 ALA A CA 1 ATOM 1392 C C . ALA A 1 180 ? -18.187 -1.837 -12.775 1.00 18.86 ? 180 ALA A C 1 ATOM 1393 O O . ALA A 1 180 ? -18.847 -2.396 -11.897 1.00 18.95 ? 180 ALA A O 1 ATOM 1394 C CB . ALA A 1 180 ? -17.705 0.626 -12.722 1.00 18.59 ? 180 ALA A CB 1 ATOM 1395 N N . LEU A 1 181 ? -18.315 -2.137 -14.062 1.00 19.75 ? 181 LEU A N 1 ATOM 1396 C CA . LEU A 1 181 ? -19.255 -3.177 -14.500 1.00 20.09 ? 181 LEU A CA 1 ATOM 1397 C C . LEU A 1 181 ? -18.851 -4.576 -14.028 1.00 20.53 ? 181 LEU A C 1 ATOM 1398 O O . LEU A 1 181 ? -19.712 -5.353 -13.615 1.00 21.13 ? 181 LEU A O 1 ATOM 1399 C CB . LEU A 1 181 ? -19.451 -3.160 -16.019 1.00 20.57 ? 181 LEU A CB 1 ATOM 1400 C CG . LEU A 1 181 ? -20.137 -1.917 -16.600 1.00 20.72 ? 181 LEU A CG 1 ATOM 1401 C CD1 . LEU A 1 181 ? -19.900 -1.889 -18.102 1.00 21.56 ? 181 LEU A CD1 1 ATOM 1402 C CD2 . LEU A 1 181 ? -21.620 -1.853 -16.285 1.00 21.52 ? 181 LEU A CD2 1 ATOM 1403 N N . SER A 1 182 ? -17.558 -4.890 -14.094 1.00 20.26 ? 182 SER A N 1 ATOM 1404 C CA . SER A 1 182 ? -17.033 -6.155 -13.574 1.00 20.50 ? 182 SER A CA 1 ATOM 1405 C C . SER A 1 182 ? -17.390 -6.355 -12.095 1.00 20.14 ? 182 SER A C 1 ATOM 1406 O O . SER A 1 182 ? -17.910 -7.406 -11.727 1.00 20.38 ? 182 SER A O 1 ATOM 1407 C CB . SER A 1 182 ? -15.513 -6.209 -13.760 1.00 20.75 ? 182 SER A CB 1 ATOM 1408 O OG . SER A 1 182 ? -14.988 -7.469 -13.373 1.00 21.15 ? 182 SER A OG 1 ATOM 1409 N N . ASN A 1 183 ? -17.111 -5.343 -11.265 1.00 19.62 ? 183 ASN A N 1 ATOM 1410 C CA . ASN A 1 183 ? -17.414 -5.383 -9.841 1.00 20.50 ? 183 ASN A CA 1 ATOM 1411 C C . ASN A 1 183 ? -18.915 -5.502 -9.615 1.00 21.37 ? 183 ASN A C 1 ATOM 1412 O O . ASN A 1 183 ? -19.352 -6.272 -8.763 1.00 21.36 ? 183 ASN A O 1 ATOM 1413 C CB . ASN A 1 183 ? -16.876 -4.142 -9.103 1.00 19.75 ? 183 ASN A CB 1 ATOM 1414 C CG . ASN A 1 183 ? -15.383 -4.219 -8.821 1.00 20.10 ? 183 ASN A CG 1 ATOM 1415 O OD1 . ASN A 1 183 ? -14.785 -5.298 -8.817 1.00 20.28 ? 183 ASN A OD1 1 ATOM 1416 N ND2 . ASN A 1 183 ? -14.772 -3.062 -8.573 1.00 19.50 ? 183 ASN A ND2 1 ATOM 1417 N N . GLU A 1 184 ? -19.701 -4.749 -10.387 1.00 22.36 ? 184 GLU A N 1 ATOM 1418 C CA . GLU A 1 184 ? -21.162 -4.812 -10.249 1.00 23.72 ? 184 GLU A CA 1 ATOM 1419 C C . GLU A 1 184 ? -21.644 -6.259 -10.430 1.00 23.96 ? 184 GLU A C 1 ATOM 1420 O O . GLU A 1 184 ? -22.419 -6.778 -9.606 1.00 24.18 ? 184 GLU A O 1 ATOM 1421 C CB . GLU A 1 184 ? -21.858 -3.873 -11.236 1.00 25.22 ? 184 GLU A CB 1 ATOM 1422 C CG . GLU A 1 184 ? -23.382 -3.951 -11.133 1.00 29.45 ? 184 GLU A CG 1 ATOM 1423 C CD . GLU A 1 184 ? -24.109 -2.945 -12.005 1.00 31.31 ? 184 GLU A CD 1 ATOM 1424 O OE1 . GLU A 1 184 ? -23.499 -1.916 -12.377 1.00 32.49 ? 184 GLU A OE1 1 ATOM 1425 O OE2 . GLU A 1 184 ? -25.295 -3.189 -12.311 1.00 32.76 ? 184 GLU A OE2 1 ATOM 1426 N N . ALA A 1 185 ? -21.159 -6.896 -11.492 1.00 23.20 ? 185 ALA A N 1 ATOM 1427 C CA . ALA A 1 185 ? -21.502 -8.272 -11.828 1.00 24.50 ? 185 ALA A CA 1 ATOM 1428 C C . ALA A 1 185 ? -21.127 -9.282 -10.733 1.00 24.53 ? 185 ALA A C 1 ATOM 1429 O O . ALA A 1 185 ? -21.988 -10.052 -10.279 1.00 26.01 ? 185 ALA A O 1 ATOM 1430 C CB . ALA A 1 185 ? -20.863 -8.656 -13.151 1.00 24.21 ? 185 ALA A CB 1 ATOM 1431 N N . TYR A 1 186 ? -19.867 -9.264 -10.290 1.00 24.04 ? 186 TYR A N 1 ATOM 1432 C CA . TYR A 1 186 ? -19.382 -10.245 -9.312 1.00 24.36 ? 186 TYR A CA 1 ATOM 1433 C C . TYR A 1 186 ? -19.880 -10.037 -7.885 1.00 24.88 ? 186 TYR A C 1 ATOM 1434 O O . TYR A 1 186 ? -19.953 -10.991 -7.107 1.00 24.39 ? 186 TYR A O 1 ATOM 1435 C CB . TYR A 1 186 ? -17.850 -10.425 -9.394 1.00 24.40 ? 186 TYR A CB 1 ATOM 1436 C CG . TYR A 1 186 ? -17.511 -11.283 -10.591 1.00 25.56 ? 186 TYR A CG 1 ATOM 1437 C CD1 . TYR A 1 186 ? -17.756 -12.652 -10.566 1.00 25.95 ? 186 TYR A CD1 1 ATOM 1438 C CD2 . TYR A 1 186 ? -17.024 -10.726 -11.770 1.00 26.62 ? 186 TYR A CD2 1 ATOM 1439 C CE1 . TYR A 1 186 ? -17.506 -13.445 -11.663 1.00 26.19 ? 186 TYR A CE1 1 ATOM 1440 C CE2 . TYR A 1 186 ? -16.760 -11.525 -12.879 1.00 27.51 ? 186 TYR A CE2 1 ATOM 1441 C CZ . TYR A 1 186 ? -17.008 -12.885 -12.806 1.00 27.05 ? 186 TYR A CZ 1 ATOM 1442 O OH . TYR A 1 186 ? -16.757 -13.701 -13.875 1.00 29.54 ? 186 TYR A OH 1 ATOM 1443 N N . LYS A 1 187 ? -20.222 -8.796 -7.546 1.00 25.55 ? 187 LYS A N 1 ATOM 1444 C CA . LYS A 1 187 ? -20.816 -8.502 -6.241 1.00 28.77 ? 187 LYS A CA 1 ATOM 1445 C C . LYS A 1 187 ? -22.186 -9.171 -6.058 1.00 29.96 ? 187 LYS A C 1 ATOM 1446 O O . LYS A 1 187 ? -22.541 -9.558 -4.944 1.00 30.06 ? 187 LYS A O 1 ATOM 1447 C CB . LYS A 1 187 ? -20.906 -6.993 -5.975 1.00 29.41 ? 187 LYS A CB 1 ATOM 1448 C CG . LYS A 1 187 ? -19.566 -6.371 -5.592 1.00 31.95 ? 187 LYS A CG 1 ATOM 1449 C CD . LYS A 1 187 ? -19.702 -4.885 -5.285 1.00 34.48 ? 187 LYS A CD 1 ATOM 1450 C CE . LYS A 1 187 ? -18.345 -4.189 -5.311 1.00 37.47 ? 187 LYS A CE 1 ATOM 1451 N NZ . LYS A 1 187 ? -18.523 -2.707 -5.276 1.00 40.47 ? 187 LYS A NZ 1 ATOM 1452 N N . GLN A 1 188 ? -22.935 -9.329 -7.145 1.00 31.54 ? 188 GLN A N 1 ATOM 1453 C CA . GLN A 1 188 ? -24.238 -9.994 -7.067 1.00 35.37 ? 188 GLN A CA 1 ATOM 1454 C C . GLN A 1 188 ? -24.081 -11.480 -6.756 1.00 36.31 ? 188 GLN A C 1 ATOM 1455 O O . GLN A 1 188 ? -24.983 -12.087 -6.168 1.00 38.22 ? 188 GLN A O 1 ATOM 1456 C CB . GLN A 1 188 ? -25.068 -9.766 -8.334 1.00 38.08 ? 188 GLN A CB 1 ATOM 1457 C CG . GLN A 1 188 ? -25.764 -8.412 -8.364 1.00 40.58 ? 188 GLN A CG 1 ATOM 1458 C CD . GLN A 1 188 ? -26.321 -8.066 -9.733 1.00 43.46 ? 188 GLN A CD 1 ATOM 1459 O OE1 . GLN A 1 188 ? -25.670 -7.376 -10.528 1.00 44.50 ? 188 GLN A OE1 1 ATOM 1460 N NE2 . GLN A 1 188 ? -27.524 -8.557 -10.026 1.00 44.94 ? 188 GLN A NE2 1 ATOM 1461 N N . ASP A 1 189 ? -22.917 -12.035 -7.107 1.00 34.83 ? 189 ASP A N 1 ATOM 1462 C CA . ASP A 1 189 ? -22.551 -13.421 -6.773 1.00 34.36 ? 189 ASP A CA 1 ATOM 1463 C C . ASP A 1 189 ? -22.045 -13.606 -5.349 1.00 32.07 ? 189 ASP A C 1 ATOM 1464 O O . ASP A 1 189 ? -21.795 -14.736 -4.926 1.00 31.58 ? 189 ASP A O 1 ATOM 1465 C CB . ASP A 1 189 ? -21.498 -13.957 -7.750 1.00 33.51 ? 189 ASP A CB 1 ATOM 1466 C CG . ASP A 1 189 ? -22.031 -14.104 -9.158 1.00 35.43 ? 189 ASP A CG 1 ATOM 1467 O OD1 . ASP A 1 189 ? -23.219 -14.454 -9.316 1.00 36.49 ? 189 ASP A OD1 1 ATOM 1468 O OD2 . ASP A 1 189 ? -21.259 -13.875 -10.114 1.00 36.51 ? 189 ASP A OD2 1 ATOM 1469 N N . GLY A 1 190 ? -21.877 -12.504 -4.621 1.00 30.72 ? 190 GLY A N 1 ATOM 1470 C CA . GLY A 1 190 ? -21.438 -12.552 -3.228 1.00 28.56 ? 190 GLY A CA 1 ATOM 1471 C C . GLY A 1 190 ? -19.952 -12.320 -2.973 1.00 28.21 ? 190 GLY A C 1 ATOM 1472 O O . GLY A 1 190 ? -19.514 -12.425 -1.840 1.00 27.33 ? 190 GLY A O 1 ATOM 1473 N N . PHE A 1 191 ? -19.175 -12.012 -4.012 1.00 26.51 ? 191 PHE A N 1 ATOM 1474 C CA . PHE A 1 191 ? -17.771 -11.594 -3.837 1.00 26.21 ? 191 PHE A CA 1 ATOM 1475 C C . PHE A 1 191 ? -17.695 -10.100 -3.531 1.00 25.60 ? 191 PHE A C 1 ATOM 1476 O O . PHE A 1 191 ? -18.515 -9.329 -4.033 1.00 26.40 ? 191 PHE A O 1 ATOM 1477 C CB . PHE A 1 191 ? -16.954 -11.920 -5.091 1.00 25.80 ? 191 PHE A CB 1 ATOM 1478 C CG . PHE A 1 191 ? -16.845 -13.394 -5.372 1.00 25.99 ? 191 PHE A CG 1 ATOM 1479 C CD1 . PHE A 1 191 ? -15.861 -14.161 -4.761 1.00 25.62 ? 191 PHE A CD1 1 ATOM 1480 C CD2 . PHE A 1 191 ? -17.733 -14.020 -6.241 1.00 26.63 ? 191 PHE A CD2 1 ATOM 1481 C CE1 . PHE A 1 191 ? -15.759 -15.520 -5.015 1.00 25.66 ? 191 PHE A CE1 1 ATOM 1482 C CE2 . PHE A 1 191 ? -17.638 -15.383 -6.496 1.00 26.31 ? 191 PHE A CE2 1 ATOM 1483 C CZ . PHE A 1 191 ? -16.642 -16.130 -5.884 1.00 26.13 ? 191 PHE A CZ 1 ATOM 1484 N N . THR A 1 192 ? -16.732 -9.688 -2.705 1.00 25.64 ? 192 THR A N 1 ATOM 1485 C CA . THR A 1 192 ? -16.538 -8.251 -2.419 1.00 25.44 ? 192 THR A CA 1 ATOM 1486 C C . THR A 1 192 ? -16.162 -7.458 -3.683 1.00 24.43 ? 192 THR A C 1 ATOM 1487 O O . THR A 1 192 ? -16.532 -6.293 -3.825 1.00 24.23 ? 192 THR A O 1 ATOM 1488 C CB . THR A 1 192 ? -15.479 -7.982 -1.321 1.00 25.95 ? 192 THR A CB 1 ATOM 1489 O OG1 . THR A 1 192 ? -14.246 -8.624 -1.662 1.00 26.92 ? 192 THR A OG1 1 ATOM 1490 C CG2 . THR A 1 192 ? -15.944 -8.492 0.043 1.00 27.71 ? 192 THR A CG2 1 ATOM 1491 N N . ASP A 1 193 ? -15.429 -8.097 -4.594 1.00 22.53 ? 193 ASP A N 1 ATOM 1492 C CA . ASP A 1 193 ? -15.037 -7.476 -5.861 1.00 21.79 ? 193 ASP A CA 1 ATOM 1493 C C . ASP A 1 193 ? -14.514 -8.540 -6.824 1.00 21.13 ? 193 ASP A C 1 ATOM 1494 O O . ASP A 1 193 ? -14.362 -9.702 -6.434 1.00 20.84 ? 193 ASP A O 1 ATOM 1495 C CB . ASP A 1 193 ? -13.996 -6.375 -5.633 1.00 22.31 ? 193 ASP A CB 1 ATOM 1496 C CG . ASP A 1 193 ? -12.720 -6.888 -4.974 1.00 23.10 ? 193 ASP A CG 1 ATOM 1497 O OD1 . ASP A 1 193 ? -11.983 -7.677 -5.606 1.00 23.50 ? 193 ASP A OD1 1 ATOM 1498 O OD2 . ASP A 1 193 ? -12.439 -6.495 -3.826 1.00 24.03 ? 193 ASP A OD2 1 ATOM 1499 N N . THR A 1 194 ? -14.257 -8.155 -8.077 1.00 19.87 ? 194 THR A N 1 ATOM 1500 C CA . THR A 1 194 ? -13.762 -9.104 -9.073 1.00 19.64 ? 194 THR A CA 1 ATOM 1501 C C . THR A 1 194 ? -12.439 -9.765 -8.674 1.00 19.24 ? 194 THR A C 1 ATOM 1502 O O . THR A 1 194 ? -12.262 -10.954 -8.912 1.00 19.43 ? 194 THR A O 1 ATOM 1503 C CB . THR A 1 194 ? -13.628 -8.467 -10.473 1.00 19.79 ? 194 THR A CB 1 ATOM 1504 O OG1 . THR A 1 194 ? -14.881 -7.888 -10.849 1.00 20.32 ? 194 THR A OG1 1 ATOM 1505 C CG2 . THR A 1 194 ? -13.254 -9.536 -11.523 1.00 19.50 ? 194 THR A CG2 1 ATOM 1506 N N . GLY A 1 195 ? -11.509 -8.995 -8.106 1.00 19.25 ? 195 GLY A N 1 ATOM 1507 C CA . GLY A 1 195 ? -10.234 -9.546 -7.608 1.00 19.37 ? 195 GLY A CA 1 ATOM 1508 C C . GLY A 1 195 ? -10.420 -10.690 -6.612 1.00 19.91 ? 195 GLY A C 1 ATOM 1509 O O . GLY A 1 195 ? -9.645 -11.660 -6.617 1.00 19.51 ? 195 GLY A O 1 ATOM 1510 N N . ALA A 1 196 ? -11.453 -10.588 -5.767 1.00 19.60 ? 196 ALA A N 1 ATOM 1511 C CA . ALA A 1 196 ? -11.770 -11.657 -4.819 1.00 19.68 ? 196 ALA A CA 1 ATOM 1512 C C . ALA A 1 196 ? -12.226 -12.915 -5.541 1.00 20.04 ? 196 ALA A C 1 ATOM 1513 O O . ALA A 1 196 ? -11.872 -14.031 -5.142 1.00 19.75 ? 196 ALA A O 1 ATOM 1514 C CB . ALA A 1 196 ? -12.803 -11.206 -3.794 1.00 20.04 ? 196 ALA A CB 1 ATOM 1515 N N . TYR A 1 197 ? -13.003 -12.743 -6.611 1.00 20.48 ? 197 TYR A N 1 ATOM 1516 C CA . TYR A 1 197 ? -13.399 -13.879 -7.433 1.00 21.05 ? 197 TYR A CA 1 ATOM 1517 C C . TYR A 1 197 ? -12.193 -14.545 -8.110 1.00 20.04 ? 197 TYR A C 1 ATOM 1518 O O . TYR A 1 197 ? -12.073 -15.773 -8.104 1.00 20.02 ? 197 TYR A O 1 ATOM 1519 C CB . TYR A 1 197 ? -14.455 -13.470 -8.468 1.00 22.03 ? 197 TYR A CB 1 ATOM 1520 C CG . TYR A 1 197 ? -14.711 -14.505 -9.550 1.00 23.39 ? 197 TYR A CG 1 ATOM 1521 C CD1 . TYR A 1 197 ? -15.299 -15.723 -9.239 1.00 23.96 ? 197 TYR A CD1 1 ATOM 1522 C CD2 . TYR A 1 197 ? -14.361 -14.261 -10.886 1.00 23.71 ? 197 TYR A CD2 1 ATOM 1523 C CE1 . TYR A 1 197 ? -15.544 -16.674 -10.212 1.00 25.33 ? 197 TYR A CE1 1 ATOM 1524 C CE2 . TYR A 1 197 ? -14.603 -15.216 -11.872 1.00 24.91 ? 197 TYR A CE2 1 ATOM 1525 C CZ . TYR A 1 197 ? -15.195 -16.419 -11.519 1.00 25.86 ? 197 TYR A CZ 1 ATOM 1526 O OH . TYR A 1 197 ? -15.450 -17.392 -12.453 1.00 28.53 ? 197 TYR A OH 1 ATOM 1527 N N . TRP A 1 198 ? -11.317 -13.745 -8.706 1.00 19.37 ? 198 TRP A N 1 ATOM 1528 C CA . TRP A 1 198 ? -10.120 -14.283 -9.363 1.00 19.41 ? 198 TRP A CA 1 ATOM 1529 C C . TRP A 1 198 ? -9.267 -15.101 -8.388 1.00 19.20 ? 198 TRP A C 1 ATOM 1530 O O . TRP A 1 198 ? -8.833 -16.202 -8.716 1.00 18.81 ? 198 TRP A O 1 ATOM 1531 C CB . TRP A 1 198 ? -9.281 -13.151 -9.971 1.00 18.83 ? 198 TRP A CB 1 ATOM 1532 C CG . TRP A 1 198 ? -9.869 -12.561 -11.245 1.00 18.79 ? 198 TRP A CG 1 ATOM 1533 C CD1 . TRP A 1 198 ? -11.102 -12.798 -11.772 1.00 18.94 ? 198 TRP A CD1 1 ATOM 1534 C CD2 . TRP A 1 198 ? -9.251 -11.597 -12.090 1.00 18.82 ? 198 TRP A CD2 1 ATOM 1535 N NE1 . TRP A 1 198 ? -11.271 -12.080 -12.924 1.00 19.28 ? 198 TRP A NE1 1 ATOM 1536 C CE2 . TRP A 1 198 ? -10.150 -11.324 -13.138 1.00 19.26 ? 198 TRP A CE2 1 ATOM 1537 C CE3 . TRP A 1 198 ? -7.997 -10.959 -12.083 1.00 18.79 ? 198 TRP A CE3 1 ATOM 1538 C CZ2 . TRP A 1 198 ? -9.848 -10.431 -14.171 1.00 19.14 ? 198 TRP A CZ2 1 ATOM 1539 C CZ3 . TRP A 1 198 ? -7.702 -10.064 -13.099 1.00 18.65 ? 198 TRP A CZ3 1 ATOM 1540 C CH2 . TRP A 1 198 ? -8.618 -9.816 -14.135 1.00 18.51 ? 198 TRP A CH2 1 ATOM 1541 N N . ARG A 1 199 ? -9.050 -14.562 -7.193 1.00 19.71 ? 199 ARG A N 1 ATOM 1542 C CA . ARG A 1 199 ? -8.250 -15.244 -6.163 1.00 20.78 ? 199 ARG A CA 1 ATOM 1543 C C . ARG A 1 199 ? -8.896 -16.542 -5.682 1.00 20.96 ? 199 ARG A C 1 ATOM 1544 O O . ARG A 1 199 ? -8.191 -17.467 -5.294 1.00 21.52 ? 199 ARG A O 1 ATOM 1545 C CB . ARG A 1 199 ? -7.964 -14.327 -4.967 1.00 20.05 ? 199 ARG A CB 1 ATOM 1546 C CG . ARG A 1 199 ? -7.118 -13.121 -5.316 1.00 20.18 ? 199 ARG A CG 1 ATOM 1547 C CD . ARG A 1 199 ? -6.637 -12.388 -4.084 1.00 20.04 ? 199 ARG A CD 1 ATOM 1548 N NE . ARG A 1 199 ? -7.743 -11.862 -3.281 1.00 20.43 ? 199 ARG A NE 1 ATOM 1549 C CZ . ARG A 1 199 ? -8.337 -10.685 -3.476 1.00 20.52 ? 199 ARG A CZ 1 ATOM 1550 N NH1 . ARG A 1 199 ? -7.946 -9.872 -4.458 1.00 19.53 ? 199 ARG A NH1 1 ATOM 1551 N NH2 . ARG A 1 199 ? -9.331 -10.318 -2.679 1.00 20.05 ? 199 ARG A NH2 1 ATOM 1552 N N . SER A 1 200 ? -10.227 -16.623 -5.729 1.00 22.49 ? 200 SER A N 1 ATOM 1553 C CA . SER A 1 200 ? -10.952 -17.801 -5.231 1.00 23.54 ? 200 SER A CA 1 ATOM 1554 C C . SER A 1 200 ? -10.667 -19.073 -6.038 1.00 24.43 ? 200 SER A C 1 ATOM 1555 O O . SER A 1 200 ? -10.906 -20.183 -5.555 1.00 23.75 ? 200 SER A O 1 ATOM 1556 C CB . SER A 1 200 ? -12.463 -17.545 -5.212 1.00 23.49 ? 200 SER A CB 1 ATOM 1557 O OG . SER A 1 200 ? -12.988 -17.605 -6.522 1.00 23.77 ? 200 SER A OG 1 ATOM 1558 N N . TRP A 1 201 ? -10.170 -18.897 -7.264 1.00 25.83 ? 201 TRP A N 1 ATOM 1559 C CA . TRP A 1 201 ? -9.773 -20.005 -8.151 1.00 27.90 ? 201 TRP A CA 1 ATOM 1560 C C . TRP A 1 201 ? -8.642 -20.851 -7.559 1.00 27.78 ? 201 TRP A C 1 ATOM 1561 O O . TRP A 1 201 ? -8.356 -21.946 -8.047 1.00 28.75 ? 201 TRP A O 1 ATOM 1562 C CB . TRP A 1 201 ? -9.318 -19.483 -9.528 1.00 29.76 ? 201 TRP A CB 1 ATOM 1563 C CG . TRP A 1 201 ? -10.369 -18.756 -10.326 1.00 32.50 ? 201 TRP A CG 1 ATOM 1564 C CD1 . TRP A 1 201 ? -11.718 -18.761 -10.111 1.00 33.54 ? 201 TRP A CD1 1 ATOM 1565 C CD2 . TRP A 1 201 ? -10.157 -17.952 -11.501 1.00 34.83 ? 201 TRP A CD2 1 ATOM 1566 N NE1 . TRP A 1 201 ? -12.351 -17.992 -11.053 1.00 33.93 ? 201 TRP A NE1 1 ATOM 1567 C CE2 . TRP A 1 201 ? -11.423 -17.492 -11.926 1.00 35.18 ? 201 TRP A CE2 1 ATOM 1568 C CE3 . TRP A 1 201 ? -9.021 -17.573 -12.232 1.00 35.67 ? 201 TRP A CE3 1 ATOM 1569 C CZ2 . TRP A 1 201 ? -11.589 -16.664 -13.058 1.00 36.53 ? 201 TRP A CZ2 1 ATOM 1570 C CZ3 . TRP A 1 201 ? -9.187 -16.753 -13.362 1.00 36.38 ? 201 TRP A CZ3 1 ATOM 1571 C CH2 . TRP A 1 201 ? -10.464 -16.308 -13.759 1.00 36.23 ? 201 TRP A CH2 1 ATOM 1572 N N . TYR A 1 202 ? -7.978 -20.339 -6.532 1.00 25.82 ? 202 TYR A N 1 ATOM 1573 C CA . TYR A 1 202 ? -6.891 -21.092 -5.931 1.00 25.39 ? 202 TYR A CA 1 ATOM 1574 C C . TYR A 1 202 ? -7.294 -21.813 -4.657 1.00 27.23 ? 202 TYR A C 1 ATOM 1575 O O . TYR A 1 202 ? -6.484 -22.534 -4.072 1.00 27.29 ? 202 TYR A O 1 ATOM 1576 C CB . TYR A 1 202 ? -5.681 -20.195 -5.714 1.00 23.54 ? 202 TYR A CB 1 ATOM 1577 C CG . TYR A 1 202 ? -5.059 -19.821 -7.026 1.00 21.98 ? 202 TYR A CG 1 ATOM 1578 C CD1 . TYR A 1 202 ? -5.501 -18.703 -7.729 1.00 20.91 ? 202 TYR A CD1 1 ATOM 1579 C CD2 . TYR A 1 202 ? -4.063 -20.625 -7.600 1.00 21.28 ? 202 TYR A CD2 1 ATOM 1580 C CE1 . TYR A 1 202 ? -4.943 -18.364 -8.953 1.00 20.38 ? 202 TYR A CE1 1 ATOM 1581 C CE2 . TYR A 1 202 ? -3.502 -20.297 -8.815 1.00 19.93 ? 202 TYR A CE2 1 ATOM 1582 C CZ . TYR A 1 202 ? -3.953 -19.166 -9.491 1.00 19.82 ? 202 TYR A CZ 1 ATOM 1583 O OH . TYR A 1 202 ? -3.398 -18.823 -10.693 1.00 18.13 ? 202 TYR A OH 1 ATOM 1584 N N . ASN A 1 203 ? -8.546 -21.614 -4.247 1.00 28.49 ? 203 ASN A N 1 ATOM 1585 C CA . ASN A 1 203 ? -9.111 -22.258 -3.059 1.00 32.08 ? 203 ASN A CA 1 ATOM 1586 C C . ASN A 1 203 ? -8.091 -22.422 -1.921 1.00 31.89 ? 203 ASN A C 1 ATOM 1587 O O . ASN A 1 203 ? -7.865 -23.522 -1.418 1.00 32.61 ? 203 ASN A O 1 ATOM 1588 C CB . ASN A 1 203 ? -9.779 -23.589 -3.445 1.00 35.20 ? 203 ASN A CB 1 ATOM 1589 C CG . ASN A 1 203 ? -10.617 -24.177 -2.320 1.00 38.81 ? 203 ASN A CG 1 ATOM 1590 O OD1 . ASN A 1 203 ? -10.461 -25.348 -1.971 1.00 40.96 ? 203 ASN A OD1 1 ATOM 1591 N ND2 . ASN A 1 203 ? -11.501 -23.366 -1.739 1.00 40.68 ? 203 ASN A ND2 1 ATOM 1592 N N . SER A 1 204 ? -7.450 -21.313 -1.566 1.00 32.29 ? 204 SER A N 1 ATOM 1593 C CA . SER A 1 204 ? -6.546 -21.245 -0.424 1.00 33.50 ? 204 SER A CA 1 ATOM 1594 C C . SER A 1 204 ? -7.029 -20.084 0.413 1.00 33.10 ? 204 SER A C 1 ATOM 1595 O O . SER A 1 204 ? -6.944 -18.935 -0.027 1.00 33.76 ? 204 SER A O 1 ATOM 1596 C CB . SER A 1 204 ? -5.089 -20.969 -0.832 1.00 34.76 ? 204 SER A CB 1 ATOM 1597 O OG . SER A 1 204 ? -4.697 -21.684 -1.982 1.00 38.58 ? 204 SER A OG 1 ATOM 1598 N N . PRO A 1 205 ? -7.543 -20.363 1.623 1.00 33.50 ? 205 PRO A N 1 ATOM 1599 C CA . PRO A 1 205 ? -7.984 -19.245 2.465 1.00 33.37 ? 205 PRO A CA 1 ATOM 1600 C C . PRO A 1 205 ? -6.804 -18.327 2.786 1.00 32.19 ? 205 PRO A C 1 ATOM 1601 O O . PRO A 1 205 ? -6.982 -17.194 3.221 1.00 32.88 ? 205 PRO A O 1 ATOM 1602 C CB . PRO A 1 205 ? -8.498 -19.934 3.735 1.00 33.85 ? 205 PRO A CB 1 ATOM 1603 C CG . PRO A 1 205 ? -7.844 -21.278 3.743 1.00 34.73 ? 205 PRO A CG 1 ATOM 1604 C CD . PRO A 1 205 ? -7.649 -21.664 2.306 1.00 34.23 ? 205 PRO A CD 1 ATOM 1605 N N . THR A 1 206 ? -5.607 -18.823 2.518 1.00 31.51 ? 206 THR A N 1 ATOM 1606 C CA . THR A 1 206 ? -4.383 -18.161 2.910 1.00 30.18 ? 206 THR A CA 1 ATOM 1607 C C . THR A 1 206 ? -3.514 -17.713 1.704 1.00 29.58 ? 206 THR A C 1 ATOM 1608 O O . THR A 1 206 ? -2.348 -17.325 1.865 1.00 28.80 ? 206 THR A O 1 ATOM 1609 C CB . THR A 1 206 ? -3.606 -19.090 3.849 1.00 31.15 ? 206 THR A CB 1 ATOM 1610 O OG1 . THR A 1 206 ? -2.456 -18.412 4.340 1.00 34.42 ? 206 THR A OG1 1 ATOM 1611 C CG2 . THR A 1 206 ? -3.210 -20.379 3.141 1.00 30.14 ? 206 THR A CG2 1 ATOM 1612 N N . PHE A 1 207 ? -4.108 -17.752 0.512 1.00 27.64 ? 207 PHE A N 1 ATOM 1613 C CA . PHE A 1 207 ? -3.427 -17.427 -0.755 1.00 26.05 ? 207 PHE A CA 1 ATOM 1614 C C . PHE A 1 207 ? -2.468 -16.241 -0.702 1.00 25.89 ? 207 PHE A C 1 ATOM 1615 O O . PHE A 1 207 ? -1.285 -16.404 -0.986 1.00 26.27 ? 207 PHE A O 1 ATOM 1616 C CB . PHE A 1 207 ? -4.464 -17.230 -1.864 1.00 25.03 ? 207 PHE A CB 1 ATOM 1617 C CG . PHE A 1 207 ? -3.887 -17.204 -3.262 1.00 23.54 ? 207 PHE A CG 1 ATOM 1618 C CD1 . PHE A 1 207 ? -3.095 -18.243 -3.730 1.00 23.14 ? 207 PHE A CD1 1 ATOM 1619 C CD2 . PHE A 1 207 ? -4.191 -16.155 -4.124 1.00 22.62 ? 207 PHE A CD2 1 ATOM 1620 C CE1 . PHE A 1 207 ? -2.588 -18.216 -5.029 1.00 22.98 ? 207 PHE A CE1 1 ATOM 1621 C CE2 . PHE A 1 207 ? -3.692 -16.123 -5.420 1.00 22.09 ? 207 PHE A CE2 1 ATOM 1622 C CZ . PHE A 1 207 ? -2.889 -17.150 -5.874 1.00 21.66 ? 207 PHE A CZ 1 ATOM 1623 N N . GLU A 1 208 ? -2.961 -15.055 -0.345 1.00 25.69 ? 208 GLU A N 1 ATOM 1624 C CA . GLU A 1 208 ? -2.125 -13.848 -0.409 1.00 26.57 ? 208 GLU A CA 1 ATOM 1625 C C . GLU A 1 208 ? -0.915 -13.934 0.517 1.00 26.62 ? 208 GLU A C 1 ATOM 1626 O O . GLU A 1 208 ? 0.187 -13.539 0.123 1.00 25.06 ? 208 GLU A O 1 ATOM 1627 C CB . GLU A 1 208 ? -2.927 -12.569 -0.134 1.00 29.11 ? 208 GLU A CB 1 ATOM 1628 C CG . GLU A 1 208 ? -4.066 -12.323 -1.118 1.00 30.82 ? 208 GLU A CG 1 ATOM 1629 C CD . GLU A 1 208 ? -4.718 -10.963 -0.931 1.00 33.10 ? 208 GLU A CD 1 ATOM 1630 O OE1 . GLU A 1 208 ? -4.014 -9.928 -1.035 1.00 35.23 ? 208 GLU A OE1 1 ATOM 1631 O OE2 . GLU A 1 208 ? -5.935 -10.926 -0.680 1.00 33.01 ? 208 GLU A OE2 1 ATOM 1632 N N . ASP A 1 209 ? -1.120 -14.454 1.730 1.00 25.90 ? 209 ASP A N 1 ATOM 1633 C CA . ASP A 1 209 ? -0.021 -14.682 2.673 1.00 27.67 ? 209 ASP A CA 1 ATOM 1634 C C . ASP A 1 209 ? 0.999 -15.698 2.156 1.00 25.49 ? 209 ASP A C 1 ATOM 1635 O O . ASP A 1 209 ? 2.187 -15.510 2.334 1.00 24.19 ? 209 ASP A O 1 ATOM 1636 C CB . ASP A 1 209 ? -0.546 -15.178 4.029 1.00 29.96 ? 209 ASP A CB 1 ATOM 1637 C CG . ASP A 1 209 ? -1.279 -14.106 4.814 1.00 32.89 ? 209 ASP A CG 1 ATOM 1638 O OD1 . ASP A 1 209 ? -1.118 -12.900 4.539 1.00 33.99 ? 209 ASP A OD1 1 ATOM 1639 O OD2 . ASP A 1 209 ? -2.037 -14.486 5.724 1.00 37.47 ? 209 ASP A OD2 1 ATOM 1640 N N . ASP A 1 210 ? 0.515 -16.794 1.565 1.00 24.68 ? 210 ASP A N 1 ATOM 1641 C CA . ASP A 1 210 ? 1.380 -17.819 0.977 1.00 24.47 ? 210 ASP A CA 1 ATOM 1642 C C . ASP A 1 210 ? 2.284 -17.235 -0.112 1.00 23.19 ? 210 ASP A C 1 ATOM 1643 O O . ASP A 1 210 ? 3.473 -17.555 -0.178 1.00 22.63 ? 210 ASP A O 1 ATOM 1644 C CB . ASP A 1 210 ? 0.544 -18.964 0.412 1.00 26.04 ? 210 ASP A CB 1 ATOM 1645 C CG . ASP A 1 210 ? -0.212 -19.706 1.491 1.00 28.95 ? 210 ASP A CG 1 ATOM 1646 O OD1 . ASP A 1 210 ? 0.160 -19.553 2.678 1.00 30.66 ? 210 ASP A OD1 1 ATOM 1647 O OD2 . ASP A 1 210 ? -1.172 -20.430 1.151 1.00 29.99 ? 210 ASP A OD2 1 ATOM 1648 N N . LEU A 1 211 ? 1.710 -16.365 -0.937 1.00 22.45 ? 211 LEU A N 1 ATOM 1649 C CA . LEU A 1 211 ? 2.455 -15.668 -1.998 1.00 21.94 ? 211 LEU A CA 1 ATOM 1650 C C . LEU A 1 211 ? 3.533 -14.754 -1.438 1.00 21.82 ? 211 LEU A C 1 ATOM 1651 O O . LEU A 1 211 ? 4.660 -14.727 -1.935 1.00 20.60 ? 211 LEU A O 1 ATOM 1652 C CB . LEU A 1 211 ? 1.499 -14.846 -2.858 1.00 22.13 ? 211 LEU A CB 1 ATOM 1653 C CG . LEU A 1 211 ? 0.478 -15.645 -3.671 1.00 21.67 ? 211 LEU A CG 1 ATOM 1654 C CD1 . LEU A 1 211 ? -0.522 -14.690 -4.309 1.00 22.03 ? 211 LEU A CD1 1 ATOM 1655 C CD2 . LEU A 1 211 ? 1.172 -16.493 -4.733 1.00 21.98 ? 211 LEU A CD2 1 ATOM 1656 N N . GLU A 1 212 ? 3.174 -14.002 -0.401 1.00 23.11 ? 212 GLU A N 1 ATOM 1657 C CA . GLU A 1 212 ? 4.093 -13.066 0.224 1.00 24.71 ? 212 GLU A CA 1 ATOM 1658 C C . GLU A 1 212 ? 5.283 -13.810 0.856 1.00 24.55 ? 212 GLU A C 1 ATOM 1659 O O . GLU A 1 212 ? 6.424 -13.367 0.719 1.00 24.40 ? 212 GLU A O 1 ATOM 1660 C CB . GLU A 1 212 ? 3.348 -12.179 1.240 1.00 27.61 ? 212 GLU A CB 1 ATOM 1661 C CG . GLU A 1 212 ? 4.212 -11.136 1.945 1.00 32.16 ? 212 GLU A CG 1 ATOM 1662 C CD . GLU A 1 212 ? 5.145 -10.389 0.997 1.00 35.93 ? 212 GLU A CD 1 ATOM 1663 O OE1 . GLU A 1 212 ? 4.685 -9.917 -0.072 1.00 38.48 ? 212 GLU A OE1 1 ATOM 1664 O OE2 . GLU A 1 212 ? 6.349 -10.276 1.321 1.00 40.00 ? 212 GLU A OE2 1 ATOM 1665 N N . HIS A 1 213 ? 5.012 -14.946 1.509 1.00 24.20 ? 213 HIS A N 1 ATOM 1666 C CA A HIS A 1 213 ? 6.066 -15.780 2.091 0.50 24.27 ? 213 HIS A CA 1 ATOM 1667 C CA B HIS A 1 213 ? 6.070 -15.787 2.091 0.50 24.62 ? 213 HIS A CA 1 ATOM 1668 C C . HIS A 1 213 ? 7.005 -16.335 1.012 1.00 23.63 ? 213 HIS A C 1 ATOM 1669 O O . HIS A 1 213 ? 8.217 -16.404 1.212 1.00 24.52 ? 213 HIS A O 1 ATOM 1670 C CB A HIS A 1 213 ? 5.463 -16.924 2.917 0.50 24.67 ? 213 HIS A CB 1 ATOM 1671 C CB B HIS A 1 213 ? 5.464 -16.939 2.901 0.50 25.54 ? 213 HIS A CB 1 ATOM 1672 C CG A HIS A 1 213 ? 4.969 -16.507 4.271 0.50 25.54 ? 213 HIS A CG 1 ATOM 1673 C CG B HIS A 1 213 ? 6.469 -17.731 3.685 0.50 26.93 ? 213 HIS A CG 1 ATOM 1674 N ND1 A HIS A 1 213 ? 3.741 -16.895 4.767 0.50 25.66 ? 213 HIS A ND1 1 ATOM 1675 N ND1 B HIS A 1 213 ? 6.948 -17.321 4.910 0.50 27.57 ? 213 HIS A ND1 1 ATOM 1676 C CD2 A HIS A 1 213 ? 5.542 -15.748 5.237 0.50 25.58 ? 213 HIS A CD2 1 ATOM 1677 C CD2 B HIS A 1 213 ? 7.068 -18.919 3.428 0.50 27.50 ? 213 HIS A CD2 1 ATOM 1678 C CE1 A HIS A 1 213 ? 3.577 -16.392 5.978 0.50 25.72 ? 213 HIS A CE1 1 ATOM 1679 C CE1 B HIS A 1 213 ? 7.804 -18.217 5.371 0.50 28.01 ? 213 HIS A CE1 1 ATOM 1680 N NE2 A HIS A 1 213 ? 4.653 -15.688 6.286 0.50 26.51 ? 213 HIS A NE2 1 ATOM 1681 N NE2 B HIS A 1 213 ? 7.894 -19.197 4.491 0.50 28.06 ? 213 HIS A NE2 1 ATOM 1682 N N . LEU A 1 214 ? 6.438 -16.725 -0.130 1.00 22.69 ? 214 LEU A N 1 ATOM 1683 C CA . LEU A 1 214 ? 7.223 -17.206 -1.266 1.00 22.02 ? 214 LEU A CA 1 ATOM 1684 C C . LEU A 1 214 ? 8.094 -16.080 -1.779 1.00 21.25 ? 214 LEU A C 1 ATOM 1685 O O . LEU A 1 214 ? 9.308 -16.246 -1.914 1.00 22.69 ? 214 LEU A O 1 ATOM 1686 C CB . LEU A 1 214 ? 6.336 -17.736 -2.410 1.00 21.46 ? 214 LEU A CB 1 ATOM 1687 C CG . LEU A 1 214 ? 5.691 -19.115 -2.242 1.00 22.54 ? 214 LEU A CG 1 ATOM 1688 C CD1 . LEU A 1 214 ? 4.588 -19.298 -3.279 1.00 22.27 ? 214 LEU A CD1 1 ATOM 1689 C CD2 . LEU A 1 214 ? 6.722 -20.233 -2.348 1.00 22.83 ? 214 LEU A CD2 1 ATOM 1690 N N . TYR A 1 215 ? 7.492 -14.925 -2.037 1.00 21.16 ? 215 TYR A N 1 ATOM 1691 C CA . TYR A 1 215 ? 8.274 -13.797 -2.524 1.00 21.49 ? 215 TYR A CA 1 ATOM 1692 C C . TYR A 1 215 ? 9.437 -13.403 -1.585 1.00 22.34 ? 215 TYR A C 1 ATOM 1693 O O . TYR A 1 215 ? 10.522 -13.080 -2.069 1.00 22.14 ? 215 TYR A O 1 ATOM 1694 C CB . TYR A 1 215 ? 7.422 -12.574 -2.916 1.00 21.44 ? 215 TYR A CB 1 ATOM 1695 C CG . TYR A 1 215 ? 8.262 -11.643 -3.756 1.00 21.69 ? 215 TYR A CG 1 ATOM 1696 C CD1 . TYR A 1 215 ? 8.509 -11.939 -5.095 1.00 22.14 ? 215 TYR A CD1 1 ATOM 1697 C CD2 . TYR A 1 215 ? 8.875 -10.518 -3.201 1.00 21.60 ? 215 TYR A CD2 1 ATOM 1698 C CE1 . TYR A 1 215 ? 9.323 -11.132 -5.875 1.00 22.16 ? 215 TYR A CE1 1 ATOM 1699 C CE2 . TYR A 1 215 ? 9.678 -9.694 -3.972 1.00 22.05 ? 215 TYR A CE2 1 ATOM 1700 C CZ . TYR A 1 215 ? 9.902 -10.017 -5.305 1.00 22.29 ? 215 TYR A CZ 1 ATOM 1701 O OH . TYR A 1 215 ? 10.707 -9.236 -6.090 1.00 22.64 ? 215 TYR A OH 1 ATOM 1702 N N . GLN A 1 216 ? 9.215 -13.435 -0.266 1.00 22.81 ? 216 GLN A N 1 ATOM 1703 C CA . GLN A 1 216 ? 10.289 -13.131 0.709 1.00 24.24 ? 216 GLN A CA 1 ATOM 1704 C C . GLN A 1 216 ? 11.559 -13.974 0.546 1.00 23.52 ? 216 GLN A C 1 ATOM 1705 O O . GLN A 1 216 ? 12.674 -13.485 0.733 1.00 23.19 ? 216 GLN A O 1 ATOM 1706 C CB . GLN A 1 216 ? 9.780 -13.245 2.149 1.00 27.33 ? 216 GLN A CB 1 ATOM 1707 C CG . GLN A 1 216 ? 8.984 -12.038 2.617 1.00 30.97 ? 216 GLN A CG 1 ATOM 1708 C CD . GLN A 1 216 ? 8.228 -12.284 3.917 1.00 35.59 ? 216 GLN A CD 1 ATOM 1709 O OE1 . GLN A 1 216 ? 8.358 -13.346 4.550 1.00 38.28 ? 216 GLN A OE1 1 ATOM 1710 N NE2 . GLN A 1 216 ? 7.421 -11.297 4.325 1.00 36.29 ? 216 GLN A NE2 1 ATOM 1711 N N . GLN A 1 217 ? 11.378 -15.241 0.211 1.00 23.07 ? 217 GLN A N 1 ATOM 1712 C CA . GLN A 1 217 ? 12.478 -16.168 -0.033 1.00 23.37 ? 217 GLN A CA 1 ATOM 1713 C C . GLN A 1 217 ? 13.176 -15.907 -1.367 1.00 21.96 ? 217 GLN A C 1 ATOM 1714 O O . GLN A 1 217 ? 14.363 -16.208 -1.534 1.00 21.55 ? 217 GLN A O 1 ATOM 1715 C CB . GLN A 1 217 ? 11.945 -17.597 -0.031 1.00 25.15 ? 217 GLN A CB 1 ATOM 1716 C CG . GLN A 1 217 ? 11.252 -17.993 1.258 1.00 28.21 ? 217 GLN A CG 1 ATOM 1717 C CD . GLN A 1 217 ? 10.726 -19.404 1.189 1.00 31.22 ? 217 GLN A CD 1 ATOM 1718 O OE1 . GLN A 1 217 ? 11.497 -20.356 1.063 1.00 33.74 ? 217 GLN A OE1 1 ATOM 1719 N NE2 . GLN A 1 217 ? 9.408 -19.551 1.259 1.00 32.59 ? 217 GLN A NE2 1 ATOM 1720 N N . LEU A 1 218 ? 12.441 -15.349 -2.320 1.00 20.35 ? 218 LEU A N 1 ATOM 1721 C CA . LEU A 1 218 ? 12.989 -15.139 -3.660 1.00 20.26 ? 218 LEU A CA 1 ATOM 1722 C C . LEU A 1 218 ? 13.656 -13.780 -3.827 1.00 20.39 ? 218 LEU A C 1 ATOM 1723 O O . LEU A 1 218 ? 14.550 -13.615 -4.670 1.00 19.84 ? 218 LEU A O 1 ATOM 1724 C CB . LEU A 1 218 ? 11.901 -15.324 -4.724 1.00 19.55 ? 218 LEU A CB 1 ATOM 1725 C CG . LEU A 1 218 ? 11.128 -16.641 -4.708 1.00 19.34 ? 218 LEU A CG 1 ATOM 1726 C CD1 . LEU A 1 218 ? 9.834 -16.494 -5.499 1.00 19.52 ? 218 LEU A CD1 1 ATOM 1727 C CD2 . LEU A 1 218 ? 11.966 -17.786 -5.279 1.00 19.95 ? 218 LEU A CD2 1 ATOM 1728 N N . GLU A 1 219 ? 13.219 -12.803 -3.029 1.00 21.38 ? 219 GLU A N 1 ATOM 1729 C CA . GLU A 1 219 ? 13.655 -11.409 -3.216 1.00 21.66 ? 219 GLU A CA 1 ATOM 1730 C C . GLU A 1 219 ? 15.180 -11.199 -3.150 1.00 20.76 ? 219 GLU A C 1 ATOM 1731 O O . GLU A 1 219 ? 15.714 -10.416 -3.938 1.00 20.58 ? 219 GLU A O 1 ATOM 1732 C CB . GLU A 1 219 ? 12.922 -10.464 -2.256 1.00 24.41 ? 219 GLU A CB 1 ATOM 1733 C CG . GLU A 1 219 ? 13.316 -9.002 -2.408 1.00 27.80 ? 219 GLU A CG 1 ATOM 1734 C CD . GLU A 1 219 ? 12.363 -8.055 -1.700 1.00 30.70 ? 219 GLU A CD 1 ATOM 1735 O OE1 . GLU A 1 219 ? 11.933 -8.369 -0.568 1.00 31.76 ? 219 GLU A OE1 1 ATOM 1736 O OE2 . GLU A 1 219 ? 12.048 -6.990 -2.284 1.00 33.76 ? 219 GLU A OE2 1 ATOM 1737 N N . PRO A 1 220 ? 15.890 -11.886 -2.225 1.00 20.42 ? 220 PRO A N 1 ATOM 1738 C CA . PRO A 1 220 ? 17.357 -11.710 -2.255 1.00 19.87 ? 220 PRO A CA 1 ATOM 1739 C C . PRO A 1 220 ? 17.988 -12.125 -3.590 1.00 19.81 ? 220 PRO A C 1 ATOM 1740 O O . PRO A 1 220 ? 18.967 -11.517 -4.018 1.00 19.47 ? 220 PRO A O 1 ATOM 1741 C CB . PRO A 1 220 ? 17.855 -12.636 -1.138 1.00 20.16 ? 220 PRO A CB 1 ATOM 1742 C CG . PRO A 1 220 ? 16.683 -12.776 -0.209 1.00 20.60 ? 220 PRO A CG 1 ATOM 1743 C CD . PRO A 1 220 ? 15.456 -12.701 -1.067 1.00 20.24 ? 220 PRO A CD 1 ATOM 1744 N N . LEU A 1 221 ? 17.438 -13.149 -4.244 1.00 19.05 ? 221 LEU A N 1 ATOM 1745 C CA . LEU A 1 221 ? 17.980 -13.561 -5.544 1.00 19.10 ? 221 LEU A CA 1 ATOM 1746 C C . LEU A 1 221 ? 17.748 -12.459 -6.569 1.00 18.78 ? 221 LEU A C 1 ATOM 1747 O O . LEU A 1 221 ? 18.662 -12.119 -7.343 1.00 19.62 ? 221 LEU A O 1 ATOM 1748 C CB . LEU A 1 221 ? 17.353 -14.883 -6.028 1.00 18.70 ? 221 LEU A CB 1 ATOM 1749 C CG . LEU A 1 221 ? 17.900 -16.187 -5.439 1.00 18.71 ? 221 LEU A CG 1 ATOM 1750 C CD1 . LEU A 1 221 ? 17.724 -16.231 -3.923 1.00 19.08 ? 221 LEU A CD1 1 ATOM 1751 C CD2 . LEU A 1 221 ? 17.192 -17.381 -6.094 1.00 18.23 ? 221 LEU A CD2 1 ATOM 1752 N N . TYR A 1 222 ? 16.541 -11.888 -6.578 1.00 17.86 ? 222 TYR A N 1 ATOM 1753 C CA . TYR A 1 222 ? 16.285 -10.758 -7.472 1.00 17.48 ? 222 TYR A CA 1 ATOM 1754 C C . TYR A 1 222 ? 17.199 -9.568 -7.174 1.00 17.82 ? 222 TYR A C 1 ATOM 1755 O O . TYR A 1 222 ? 17.746 -8.977 -8.111 1.00 18.58 ? 222 TYR A O 1 ATOM 1756 C CB . TYR A 1 222 ? 14.830 -10.300 -7.467 1.00 16.51 ? 222 TYR A CB 1 ATOM 1757 C CG . TYR A 1 222 ? 14.605 -9.184 -8.466 1.00 16.01 ? 222 TYR A CG 1 ATOM 1758 C CD1 . TYR A 1 222 ? 14.617 -9.445 -9.840 1.00 15.89 ? 222 TYR A CD1 1 ATOM 1759 C CD2 . TYR A 1 222 ? 14.443 -7.862 -8.047 1.00 15.80 ? 222 TYR A CD2 1 ATOM 1760 C CE1 . TYR A 1 222 ? 14.441 -8.436 -10.765 1.00 15.75 ? 222 TYR A CE1 1 ATOM 1761 C CE2 . TYR A 1 222 ? 14.259 -6.840 -8.965 1.00 15.68 ? 222 TYR A CE2 1 ATOM 1762 C CZ . TYR A 1 222 ? 14.267 -7.134 -10.325 1.00 15.95 ? 222 TYR A CZ 1 ATOM 1763 O OH . TYR A 1 222 ? 14.059 -6.142 -11.249 1.00 15.54 ? 222 TYR A OH 1 ATOM 1764 N N . LEU A 1 223 ? 17.355 -9.214 -5.899 1.00 18.04 ? 223 LEU A N 1 ATOM 1765 C CA . LEU A 1 223 ? 18.163 -8.033 -5.538 1.00 18.87 ? 223 LEU A CA 1 ATOM 1766 C C . LEU A 1 223 ? 19.585 -8.148 -6.059 1.00 18.51 ? 223 LEU A C 1 ATOM 1767 O O . LEU A 1 223 ? 20.108 -7.195 -6.633 1.00 18.38 ? 223 LEU A O 1 ATOM 1768 C CB . LEU A 1 223 ? 18.173 -7.757 -4.026 1.00 19.68 ? 223 LEU A CB 1 ATOM 1769 C CG . LEU A 1 223 ? 16.843 -7.313 -3.405 1.00 20.34 ? 223 LEU A CG 1 ATOM 1770 C CD1 . LEU A 1 223 ? 16.937 -7.066 -1.895 1.00 20.68 ? 223 LEU A CD1 1 ATOM 1771 C CD2 . LEU A 1 223 ? 16.296 -6.077 -4.114 1.00 20.91 ? 223 LEU A CD2 1 ATOM 1772 N N . ASN A 1 224 ? 20.188 -9.324 -5.883 1.00 18.37 ? 224 ASN A N 1 ATOM 1773 C CA . ASN A 1 224 ? 21.546 -9.557 -6.377 1.00 18.58 ? 224 ASN A CA 1 ATOM 1774 C C . ASN A 1 224 ? 21.680 -9.556 -7.892 1.00 18.16 ? 224 ASN A C 1 ATOM 1775 O O . ASN A 1 224 ? 22.637 -9.004 -8.419 1.00 17.86 ? 224 ASN A O 1 ATOM 1776 C CB . ASN A 1 224 ? 22.127 -10.827 -5.766 1.00 19.35 ? 224 ASN A CB 1 ATOM 1777 C CG . ASN A 1 224 ? 22.668 -10.590 -4.372 1.00 20.29 ? 224 ASN A CG 1 ATOM 1778 O OD1 . ASN A 1 224 ? 23.794 -10.133 -4.218 1.00 20.97 ? 224 ASN A OD1 1 ATOM 1779 N ND2 . ASN A 1 224 ? 21.865 -10.874 -3.357 1.00 20.46 ? 224 ASN A ND2 1 ATOM 1780 N N . LEU A 1 225 ? 20.716 -10.165 -8.596 1.00 17.42 ? 225 LEU A N 1 ATOM 1781 C CA . LEU A 1 225 ? 20.727 -10.146 -10.057 1.00 17.34 ? 225 LEU A CA 1 ATOM 1782 C C . LEU A 1 225 ? 20.613 -8.711 -10.564 1.00 17.39 ? 225 LEU A C 1 ATOM 1783 O O . LEU A 1 225 ? 21.304 -8.306 -11.502 1.00 16.86 ? 225 LEU A O 1 ATOM 1784 C CB . LEU A 1 225 ? 19.561 -10.981 -10.622 1.00 16.69 ? 225 LEU A CB 1 ATOM 1785 C CG . LEU A 1 225 ? 19.472 -11.062 -12.144 1.00 16.51 ? 225 LEU A CG 1 ATOM 1786 C CD1 . LEU A 1 225 ? 20.667 -11.849 -12.689 1.00 16.23 ? 225 LEU A CD1 1 ATOM 1787 C CD2 . LEU A 1 225 ? 18.175 -11.770 -12.518 1.00 16.38 ? 225 LEU A CD2 1 ATOM 1788 N N . HIS A 1 226 ? 19.722 -7.957 -9.916 1.00 17.54 ? 226 HIS A N 1 ATOM 1789 C CA . HIS A 1 226 ? 19.436 -6.576 -10.273 1.00 17.95 ? 226 HIS A CA 1 ATOM 1790 C C . HIS A 1 226 ? 20.707 -5.727 -10.154 1.00 18.40 ? 226 HIS A C 1 ATOM 1791 O O . HIS A 1 226 ? 21.044 -4.980 -11.075 1.00 18.14 ? 226 HIS A O 1 ATOM 1792 C CB . HIS A 1 226 ? 18.306 -6.048 -9.374 1.00 17.41 ? 226 HIS A CB 1 ATOM 1793 C CG . HIS A 1 226 ? 17.980 -4.603 -9.574 1.00 18.01 ? 226 HIS A CG 1 ATOM 1794 N ND1 . HIS A 1 226 ? 18.774 -3.589 -9.079 1.00 18.01 ? 226 HIS A ND1 1 ATOM 1795 C CD2 . HIS A 1 226 ? 16.925 -3.998 -10.171 1.00 17.61 ? 226 HIS A CD2 1 ATOM 1796 C CE1 . HIS A 1 226 ? 18.235 -2.424 -9.389 1.00 18.24 ? 226 HIS A CE1 1 ATOM 1797 N NE2 . HIS A 1 226 ? 17.112 -2.643 -10.047 1.00 17.78 ? 226 HIS A NE2 1 ATOM 1798 N N . ALA A 1 227 ? 21.421 -5.866 -9.036 1.00 19.15 ? 227 ALA A N 1 ATOM 1799 C CA . ALA A 1 227 ? 22.632 -5.068 -8.800 1.00 20.16 ? 227 ALA A CA 1 ATOM 1800 C C . ALA A 1 227 ? 23.750 -5.425 -9.789 1.00 20.59 ? 227 ALA A C 1 ATOM 1801 O O . ALA A 1 227 ? 24.500 -4.550 -10.252 1.00 20.98 ? 227 ALA A O 1 ATOM 1802 C CB . ALA A 1 227 ? 23.113 -5.243 -7.369 1.00 20.45 ? 227 ALA A CB 1 ATOM 1803 N N . PHE A 1 228 ? 23.849 -6.707 -10.125 1.00 20.83 ? 228 PHE A N 1 ATOM 1804 C CA . PHE A 1 228 ? 24.859 -7.173 -11.074 1.00 21.11 ? 228 PHE A CA 1 ATOM 1805 C C . PHE A 1 228 ? 24.546 -6.618 -12.460 1.00 20.73 ? 228 PHE A C 1 ATOM 1806 O O . PHE A 1 228 ? 25.430 -6.099 -13.145 1.00 20.37 ? 228 PHE A O 1 ATOM 1807 C CB . PHE A 1 228 ? 24.888 -8.703 -11.087 1.00 21.61 ? 228 PHE A CB 1 ATOM 1808 C CG . PHE A 1 228 ? 25.987 -9.292 -11.927 1.00 22.83 ? 228 PHE A CG 1 ATOM 1809 C CD1 . PHE A 1 228 ? 27.287 -9.390 -11.423 1.00 23.41 ? 228 PHE A CD1 1 ATOM 1810 C CD2 . PHE A 1 228 ? 25.724 -9.774 -13.208 1.00 22.85 ? 228 PHE A CD2 1 ATOM 1811 C CE1 . PHE A 1 228 ? 28.299 -9.948 -12.187 1.00 24.57 ? 228 PHE A CE1 1 ATOM 1812 C CE2 . PHE A 1 228 ? 26.736 -10.334 -13.977 1.00 23.15 ? 228 PHE A CE2 1 ATOM 1813 C CZ . PHE A 1 228 ? 28.022 -10.418 -13.467 1.00 24.19 ? 228 PHE A CZ 1 ATOM 1814 N N . VAL A 1 229 ? 23.272 -6.705 -12.851 1.00 19.82 ? 229 VAL A N 1 ATOM 1815 C CA . VAL A 1 229 ? 22.815 -6.225 -14.145 1.00 19.08 ? 229 VAL A CA 1 ATOM 1816 C C . VAL A 1 229 ? 22.945 -4.708 -14.262 1.00 19.36 ? 229 VAL A C 1 ATOM 1817 O O . VAL A 1 229 ? 23.333 -4.213 -15.302 1.00 19.73 ? 229 VAL A O 1 ATOM 1818 C CB . VAL A 1 229 ? 21.373 -6.704 -14.465 1.00 18.49 ? 229 VAL A CB 1 ATOM 1819 C CG1 . VAL A 1 229 ? 20.807 -5.975 -15.675 1.00 17.91 ? 229 VAL A CG1 1 ATOM 1820 C CG2 . VAL A 1 229 ? 21.364 -8.206 -14.717 1.00 18.27 ? 229 VAL A CG2 1 ATOM 1821 N N . ARG A 1 230 ? 22.634 -3.986 -13.191 1.00 19.34 ? 230 ARG A N 1 ATOM 1822 C CA . ARG A 1 230 ? 22.720 -2.536 -13.183 1.00 19.78 ? 230 ARG A CA 1 ATOM 1823 C C . ARG A 1 230 ? 24.184 -2.084 -13.399 1.00 20.65 ? 230 ARG A C 1 ATOM 1824 O O . ARG A 1 230 ? 24.444 -1.123 -14.127 1.00 21.00 ? 230 ARG A O 1 ATOM 1825 C CB . ARG A 1 230 ? 22.128 -1.972 -11.876 1.00 19.31 ? 230 ARG A CB 1 ATOM 1826 C CG . ARG A 1 230 ? 22.156 -0.448 -11.761 1.00 18.98 ? 230 ARG A CG 1 ATOM 1827 C CD . ARG A 1 230 ? 21.511 0.012 -10.455 1.00 18.75 ? 230 ARG A CD 1 ATOM 1828 N NE . ARG A 1 230 ? 22.088 -0.682 -9.300 1.00 19.25 ? 230 ARG A NE 1 ATOM 1829 C CZ . ARG A 1 230 ? 21.586 -0.667 -8.072 1.00 19.48 ? 230 ARG A CZ 1 ATOM 1830 N NH1 . ARG A 1 230 ? 20.481 0.024 -7.801 1.00 19.42 ? 230 ARG A NH1 1 ATOM 1831 N NH2 . ARG A 1 230 ? 22.196 -1.359 -7.116 1.00 19.92 ? 230 ARG A NH2 1 ATOM 1832 N N . ARG A 1 231 ? 25.124 -2.804 -12.797 1.00 21.13 ? 231 ARG A N 1 ATOM 1833 C CA . ARG A 1 231 ? 26.545 -2.559 -13.021 1.00 23.18 ? 231 ARG A CA 1 ATOM 1834 C C . ARG A 1 231 ? 26.943 -2.807 -14.486 1.00 23.41 ? 231 ARG A C 1 ATOM 1835 O O . ARG A 1 231 ? 27.684 -2.017 -15.065 1.00 23.20 ? 231 ARG A O 1 ATOM 1836 C CB . ARG A 1 231 ? 27.404 -3.396 -12.060 1.00 24.16 ? 231 ARG A CB 1 ATOM 1837 C CG . ARG A 1 231 ? 28.922 -3.351 -12.312 1.00 26.53 ? 231 ARG A CG 1 ATOM 1838 C CD . ARG A 1 231 ? 29.550 -1.980 -12.035 1.00 28.59 ? 231 ARG A CD 1 ATOM 1839 N NE . ARG A 1 231 ? 29.412 -1.608 -10.633 1.00 30.15 ? 231 ARG A NE 1 ATOM 1840 C CZ . ARG A 1 231 ? 29.935 -0.519 -10.073 1.00 31.71 ? 231 ARG A CZ 1 ATOM 1841 N NH1 . ARG A 1 231 ? 30.654 0.340 -10.785 1.00 30.98 ? 231 ARG A NH1 1 ATOM 1842 N NH2 . ARG A 1 231 ? 29.732 -0.289 -8.782 1.00 31.78 ? 231 ARG A NH2 1 ATOM 1843 N N . ALA A 1 232 ? 26.446 -3.894 -15.082 1.00 22.43 ? 232 ALA A N 1 ATOM 1844 C CA . ALA A 1 232 ? 26.724 -4.169 -16.502 1.00 23.07 ? 232 ALA A CA 1 ATOM 1845 C C . ALA A 1 232 ? 26.189 -3.045 -17.403 1.00 23.43 ? 232 ALA A C 1 ATOM 1846 O O . ALA A 1 232 ? 26.840 -2.664 -18.372 1.00 23.13 ? 232 ALA A O 1 ATOM 1847 C CB . ALA A 1 232 ? 26.134 -5.514 -16.922 1.00 21.93 ? 232 ALA A CB 1 ATOM 1848 N N . LEU A 1 233 ? 25.004 -2.524 -17.072 1.00 22.82 ? 233 LEU A N 1 ATOM 1849 C CA . LEU A 1 233 ? 24.395 -1.430 -17.836 1.00 23.42 ? 233 LEU A CA 1 ATOM 1850 C C . LEU A 1 233 ? 25.169 -0.129 -17.693 1.00 24.44 ? 233 LEU A C 1 ATOM 1851 O O . LEU A 1 233 ? 25.344 0.609 -18.668 1.00 25.09 ? 233 LEU A O 1 ATOM 1852 C CB . LEU A 1 233 ? 22.927 -1.222 -17.430 1.00 22.81 ? 233 LEU A CB 1 ATOM 1853 C CG . LEU A 1 233 ? 21.984 -2.356 -17.840 1.00 22.80 ? 233 LEU A CG 1 ATOM 1854 C CD1 . LEU A 1 233 ? 20.625 -2.198 -17.173 1.00 21.94 ? 233 LEU A CD1 1 ATOM 1855 C CD2 . LEU A 1 233 ? 21.832 -2.466 -19.357 1.00 23.20 ? 233 LEU A CD2 1 ATOM 1856 N N . HIS A 1 234 ? 25.637 0.138 -16.480 1.00 25.42 ? 234 HIS A N 1 ATOM 1857 C CA . HIS A 1 234 ? 26.408 1.350 -16.188 1.00 27.46 ? 234 HIS A CA 1 ATOM 1858 C C . HIS A 1 234 ? 27.685 1.392 -17.047 1.00 28.13 ? 234 HIS A C 1 ATOM 1859 O O . HIS A 1 234 ? 28.021 2.432 -17.621 1.00 28.64 ? 234 HIS A O 1 ATOM 1860 C CB . HIS A 1 234 ? 26.733 1.404 -14.695 1.00 27.60 ? 234 HIS A CB 1 ATOM 1861 C CG . HIS A 1 234 ? 27.551 2.588 -14.295 1.00 29.09 ? 234 HIS A CG 1 ATOM 1862 N ND1 . HIS A 1 234 ? 28.923 2.538 -14.206 1.00 29.95 ? 234 HIS A ND1 1 ATOM 1863 C CD2 . HIS A 1 234 ? 27.196 3.850 -13.955 1.00 29.38 ? 234 HIS A CD2 1 ATOM 1864 C CE1 . HIS A 1 234 ? 29.382 3.720 -13.829 1.00 30.43 ? 234 HIS A CE1 1 ATOM 1865 N NE2 . HIS A 1 234 ? 28.353 4.535 -13.675 1.00 30.10 ? 234 HIS A NE2 1 ATOM 1866 N N . ARG A 1 235 ? 28.363 0.253 -17.153 1.00 29.61 ? 235 ARG A N 1 ATOM 1867 C CA . ARG A 1 235 ? 29.553 0.123 -18.005 1.00 32.75 ? 235 ARG A CA 1 ATOM 1868 C C . ARG A 1 235 ? 29.255 0.427 -19.479 1.00 32.95 ? 235 ARG A C 1 ATOM 1869 O O . ARG A 1 235 ? 30.143 0.864 -20.203 1.00 33.55 ? 235 ARG A O 1 ATOM 1870 C CB . ARG A 1 235 ? 30.190 -1.266 -17.862 1.00 34.23 ? 235 ARG A CB 1 ATOM 1871 C CG . ARG A 1 235 ? 30.843 -1.524 -16.508 1.00 36.29 ? 235 ARG A CG 1 ATOM 1872 C CD . ARG A 1 235 ? 31.042 -3.012 -16.237 1.00 37.81 ? 235 ARG A CD 1 ATOM 1873 N NE . ARG A 1 235 ? 31.791 -3.676 -17.309 1.00 39.64 ? 235 ARG A NE 1 ATOM 1874 C CZ . ARG A 1 235 ? 31.954 -4.995 -17.417 1.00 40.84 ? 235 ARG A CZ 1 ATOM 1875 N NH1 . ARG A 1 235 ? 31.416 -5.819 -16.521 1.00 41.13 ? 235 ARG A NH1 1 ATOM 1876 N NH2 . ARG A 1 235 ? 32.655 -5.491 -18.427 1.00 40.34 ? 235 ARG A NH2 1 ATOM 1877 N N . ARG A 1 236 ? 28.013 0.209 -19.917 1.00 32.21 ? 236 ARG A N 1 ATOM 1878 C CA . ARG A 1 236 ? 27.633 0.482 -21.316 1.00 32.63 ? 236 ARG A CA 1 ATOM 1879 C C . ARG A 1 236 ? 27.022 1.857 -21.562 1.00 32.39 ? 236 ARG A C 1 ATOM 1880 O O . ARG A 1 236 ? 27.314 2.496 -22.579 1.00 33.15 ? 236 ARG A O 1 ATOM 1881 C CB . ARG A 1 236 ? 26.684 -0.582 -21.869 1.00 33.64 ? 236 ARG A CB 1 ATOM 1882 C CG . ARG A 1 236 ? 27.382 -1.730 -22.577 1.00 36.09 ? 236 ARG A CG 1 ATOM 1883 C CD . ARG A 1 236 ? 27.949 -2.690 -21.556 1.00 38.47 ? 236 ARG A CD 1 ATOM 1884 N NE . ARG A 1 236 ? 28.817 -3.713 -22.124 1.00 41.56 ? 236 ARG A NE 1 ATOM 1885 C CZ . ARG A 1 236 ? 29.201 -4.797 -21.456 1.00 43.77 ? 236 ARG A CZ 1 ATOM 1886 N NH1 . ARG A 1 236 ? 28.775 -4.991 -20.205 1.00 43.62 ? 236 ARG A NH1 1 ATOM 1887 N NH2 . ARG A 1 236 ? 30.001 -5.688 -22.035 1.00 43.06 ? 236 ARG A NH2 1 ATOM 1888 N N . TYR A 1 237 ? 26.166 2.299 -20.651 1.00 30.72 ? 237 TYR A N 1 ATOM 1889 C CA . TYR A 1 237 ? 25.392 3.520 -20.852 1.00 30.48 ? 237 TYR A CA 1 ATOM 1890 C C . TYR A 1 237 ? 25.945 4.736 -20.128 1.00 31.24 ? 237 TYR A C 1 ATOM 1891 O O . TYR A 1 237 ? 25.606 5.868 -20.477 1.00 32.50 ? 237 TYR A O 1 ATOM 1892 C CB . TYR A 1 237 ? 23.924 3.297 -20.475 1.00 29.96 ? 237 TYR A CB 1 ATOM 1893 C CG . TYR A 1 237 ? 23.193 2.402 -21.444 1.00 29.98 ? 237 TYR A CG 1 ATOM 1894 C CD1 . TYR A 1 237 ? 22.723 2.894 -22.663 1.00 29.64 ? 237 TYR A CD1 1 ATOM 1895 C CD2 . TYR A 1 237 ? 22.979 1.055 -21.147 1.00 29.79 ? 237 TYR A CD2 1 ATOM 1896 C CE1 . TYR A 1 237 ? 22.058 2.068 -23.557 1.00 30.36 ? 237 TYR A CE1 1 ATOM 1897 C CE2 . TYR A 1 237 ? 22.312 0.220 -22.034 1.00 29.73 ? 237 TYR A CE2 1 ATOM 1898 C CZ . TYR A 1 237 ? 21.846 0.726 -23.232 1.00 30.31 ? 237 TYR A CZ 1 ATOM 1899 O OH . TYR A 1 237 ? 21.168 -0.103 -24.108 1.00 30.19 ? 237 TYR A OH 1 ATOM 1900 N N . GLY A 1 238 ? 26.790 4.505 -19.128 1.00 31.85 ? 238 GLY A N 1 ATOM 1901 C CA . GLY A 1 238 ? 27.481 5.590 -18.443 1.00 32.98 ? 238 GLY A CA 1 ATOM 1902 C C . GLY A 1 238 ? 26.770 6.106 -17.213 1.00 34.42 ? 238 GLY A C 1 ATOM 1903 O O . GLY A 1 238 ? 25.608 5.775 -16.964 1.00 32.25 ? 238 GLY A O 1 ATOM 1904 N N . ASP A 1 239 ? 27.479 6.949 -16.462 1.00 36.51 ? 239 ASP A N 1 ATOM 1905 C CA . ASP A 1 239 ? 27.019 7.483 -15.183 1.00 38.67 ? 239 ASP A CA 1 ATOM 1906 C C . ASP A 1 239 ? 25.831 8.448 -15.300 1.00 37.83 ? 239 ASP A C 1 ATOM 1907 O O . ASP A 1 239 ? 25.190 8.775 -14.305 1.00 38.92 ? 239 ASP A O 1 ATOM 1908 C CB . ASP A 1 239 ? 28.195 8.168 -14.479 1.00 42.74 ? 239 ASP A CB 1 ATOM 1909 C CG . ASP A 1 239 ? 28.076 8.133 -12.968 1.00 46.28 ? 239 ASP A CG 1 ATOM 1910 O OD1 . ASP A 1 239 ? 28.058 7.025 -12.384 1.00 46.75 ? 239 ASP A OD1 1 ATOM 1911 O OD2 . ASP A 1 239 ? 28.020 9.220 -12.355 1.00 49.07 ? 239 ASP A OD2 1 ATOM 1912 N N . ARG A 1 240 ? 25.540 8.902 -16.514 1.00 37.10 ? 240 ARG A N 1 ATOM 1913 C CA . ARG A 1 240 ? 24.434 9.821 -16.759 1.00 37.73 ? 240 ARG A CA 1 ATOM 1914 C C . ARG A 1 240 ? 23.082 9.082 -16.759 1.00 36.72 ? 240 ARG A C 1 ATOM 1915 O O . ARG A 1 240 ? 22.123 9.510 -16.113 1.00 35.42 ? 240 ARG A O 1 ATOM 1916 C CB . ARG A 1 240 ? 24.679 10.552 -18.086 1.00 41.84 ? 240 ARG A CB 1 ATOM 1917 C CG . ARG A 1 240 ? 23.546 11.432 -18.594 1.00 46.38 ? 240 ARG A CG 1 ATOM 1918 C CD . ARG A 1 240 ? 23.943 12.143 -19.888 1.00 50.90 ? 240 ARG A CD 1 ATOM 1919 N NE . ARG A 1 240 ? 22.805 12.769 -20.570 1.00 53.54 ? 240 ARG A NE 1 ATOM 1920 C CZ . ARG A 1 240 ? 22.234 13.918 -20.203 1.00 55.28 ? 240 ARG A CZ 1 ATOM 1921 N NH1 . ARG A 1 240 ? 22.679 14.595 -19.146 1.00 56.39 ? 240 ARG A NH1 1 ATOM 1922 N NH2 . ARG A 1 240 ? 21.203 14.391 -20.894 1.00 55.44 ? 240 ARG A NH2 1 ATOM 1923 N N . TYR A 1 241 ? 23.029 7.962 -17.476 1.00 33.37 ? 241 TYR A N 1 ATOM 1924 C CA . TYR A 1 241 ? 21.793 7.227 -17.680 1.00 32.19 ? 241 TYR A CA 1 ATOM 1925 C C . TYR A 1 241 ? 21.569 6.113 -16.666 1.00 29.56 ? 241 TYR A C 1 ATOM 1926 O O . TYR A 1 241 ? 20.450 5.606 -16.535 1.00 28.83 ? 241 TYR A O 1 ATOM 1927 C CB . TYR A 1 241 ? 21.759 6.653 -19.092 1.00 32.96 ? 241 TYR A CB 1 ATOM 1928 C CG . TYR A 1 241 ? 21.599 7.687 -20.181 1.00 34.99 ? 241 TYR A CG 1 ATOM 1929 C CD1 . TYR A 1 241 ? 20.572 8.632 -20.133 1.00 35.73 ? 241 TYR A CD1 1 ATOM 1930 C CD2 . TYR A 1 241 ? 22.462 7.700 -21.278 1.00 36.84 ? 241 TYR A CD2 1 ATOM 1931 C CE1 . TYR A 1 241 ? 20.414 9.567 -21.140 1.00 38.01 ? 241 TYR A CE1 1 ATOM 1932 C CE2 . TYR A 1 241 ? 22.313 8.629 -22.291 1.00 39.22 ? 241 TYR A CE2 1 ATOM 1933 C CZ . TYR A 1 241 ? 21.291 9.558 -22.219 1.00 39.66 ? 241 TYR A CZ 1 ATOM 1934 O OH . TYR A 1 241 ? 21.145 10.478 -23.229 1.00 42.65 ? 241 TYR A OH 1 ATOM 1935 N N . ILE A 1 242 ? 22.632 5.721 -15.970 1.00 27.92 ? 242 ILE A N 1 ATOM 1936 C CA . ILE A 1 242 ? 22.541 4.674 -14.955 1.00 26.68 ? 242 ILE A CA 1 ATOM 1937 C C . ILE A 1 242 ? 23.023 5.167 -13.598 1.00 26.92 ? 242 ILE A C 1 ATOM 1938 O O . ILE A 1 242 ? 24.143 5.664 -13.471 1.00 26.77 ? 242 ILE A O 1 ATOM 1939 C CB . ILE A 1 242 ? 23.344 3.414 -15.348 1.00 26.15 ? 242 ILE A CB 1 ATOM 1940 C CG1 . ILE A 1 242 ? 22.813 2.804 -16.654 1.00 25.37 ? 242 ILE A CG1 1 ATOM 1941 C CG2 . ILE A 1 242 ? 23.311 2.392 -14.214 1.00 25.61 ? 242 ILE A CG2 1 ATOM 1942 C CD1 . ILE A 1 242 ? 21.484 2.096 -16.513 1.00 24.65 ? 242 ILE A CD1 1 ATOM 1943 N N . ASN A 1 243 ? 22.171 5.007 -12.591 1.00 25.87 ? 243 ASN A N 1 ATOM 1944 C CA . ASN A 1 243 ? 22.514 5.341 -11.214 1.00 25.96 ? 243 ASN A CA 1 ATOM 1945 C C . ASN A 1 243 ? 22.751 4.053 -10.429 1.00 25.31 ? 243 ASN A C 1 ATOM 1946 O O . ASN A 1 243 ? 21.813 3.283 -10.191 1.00 25.27 ? 243 ASN A O 1 ATOM 1947 C CB . ASN A 1 243 ? 21.372 6.156 -10.590 1.00 26.16 ? 243 ASN A CB 1 ATOM 1948 C CG . ASN A 1 243 ? 21.661 6.600 -9.168 1.00 25.80 ? 243 ASN A CG 1 ATOM 1949 O OD1 . ASN A 1 243 ? 22.656 6.214 -8.568 1.00 26.29 ? 243 ASN A OD1 1 ATOM 1950 N ND2 . ASN A 1 243 ? 20.773 7.418 -8.621 1.00 26.42 ? 243 ASN A ND2 1 ATOM 1951 N N . LEU A 1 244 ? 24.002 3.832 -10.022 1.00 25.16 ? 244 LEU A N 1 ATOM 1952 C CA . LEU A 1 244 ? 24.400 2.604 -9.325 1.00 24.90 ? 244 LEU A CA 1 ATOM 1953 C C . LEU A 1 244 ? 23.701 2.405 -7.979 1.00 25.27 ? 244 LEU A C 1 ATOM 1954 O O . LEU A 1 244 ? 23.804 1.343 -7.366 1.00 25.50 ? 244 LEU A O 1 ATOM 1955 C CB . LEU A 1 244 ? 25.923 2.531 -9.161 1.00 25.76 ? 244 LEU A CB 1 ATOM 1956 C CG . LEU A 1 244 ? 26.751 2.392 -10.444 1.00 25.72 ? 244 LEU A CG 1 ATOM 1957 C CD1 . LEU A 1 244 ? 28.236 2.624 -10.164 1.00 26.93 ? 244 LEU A CD1 1 ATOM 1958 C CD2 . LEU A 1 244 ? 26.535 1.029 -11.086 1.00 25.15 ? 244 LEU A CD2 1 ATOM 1959 N N . ARG A 1 245 ? 22.958 3.412 -7.537 1.00 25.51 ? 245 ARG A N 1 ATOM 1960 C CA . ARG A 1 245 ? 22.237 3.308 -6.280 1.00 26.45 ? 245 ARG A CA 1 ATOM 1961 C C . ARG A 1 245 ? 20.749 3.545 -6.455 1.00 24.83 ? 245 ARG A C 1 ATOM 1962 O O . ARG A 1 245 ? 20.016 3.648 -5.470 1.00 25.41 ? 245 ARG A O 1 ATOM 1963 C CB . ARG A 1 245 ? 22.836 4.273 -5.250 1.00 28.77 ? 245 ARG A CB 1 ATOM 1964 C CG . ARG A 1 245 ? 24.278 3.933 -4.917 1.00 31.91 ? 245 ARG A CG 1 ATOM 1965 C CD . ARG A 1 245 ? 24.795 4.682 -3.709 1.00 35.06 ? 245 ARG A CD 1 ATOM 1966 N NE . ARG A 1 245 ? 24.888 6.116 -3.962 1.00 38.87 ? 245 ARG A NE 1 ATOM 1967 C CZ . ARG A 1 245 ? 25.661 6.942 -3.261 1.00 40.84 ? 245 ARG A CZ 1 ATOM 1968 N NH1 . ARG A 1 245 ? 26.414 6.468 -2.276 1.00 41.23 ? 245 ARG A NH1 1 ATOM 1969 N NH2 . ARG A 1 245 ? 25.681 8.238 -3.542 1.00 41.38 ? 245 ARG A NH2 1 ATOM 1970 N N . GLY A 1 246 ? 20.320 3.615 -7.715 1.00 23.01 ? 246 GLY A N 1 ATOM 1971 C CA . GLY A 1 246 ? 18.963 3.992 -8.082 1.00 21.17 ? 246 GLY A CA 1 ATOM 1972 C C . GLY A 1 246 ? 18.263 2.907 -8.880 1.00 20.38 ? 246 GLY A C 1 ATOM 1973 O O . GLY A 1 246 ? 18.867 1.869 -9.190 1.00 20.28 ? 246 GLY A O 1 ATOM 1974 N N . PRO A 1 247 ? 16.980 3.126 -9.203 1.00 19.81 ? 247 PRO A N 1 ATOM 1975 C CA . PRO A 1 247 ? 16.269 2.162 -10.039 1.00 19.57 ? 247 PRO A CA 1 ATOM 1976 C C . PRO A 1 247 ? 16.839 2.176 -11.446 1.00 19.36 ? 247 PRO A C 1 ATOM 1977 O O . PRO A 1 247 ? 17.396 3.197 -11.870 1.00 19.16 ? 247 PRO A O 1 ATOM 1978 C CB . PRO A 1 247 ? 14.847 2.712 -10.068 1.00 19.59 ? 247 PRO A CB 1 ATOM 1979 C CG . PRO A 1 247 ? 14.738 3.545 -8.828 1.00 19.94 ? 247 PRO A CG 1 ATOM 1980 C CD . PRO A 1 247 ? 16.085 4.204 -8.747 1.00 19.59 ? 247 PRO A CD 1 ATOM 1981 N N . ILE A 1 248 ? 16.722 1.053 -12.149 1.00 18.74 ? 248 ILE A N 1 ATOM 1982 C CA . ILE A 1 248 ? 17.195 0.974 -13.535 1.00 18.96 ? 248 ILE A CA 1 ATOM 1983 C C . ILE A 1 248 ? 16.126 1.585 -14.450 1.00 18.99 ? 248 ILE A C 1 ATOM 1984 O O . ILE A 1 248 ? 14.948 1.261 -14.303 1.00 18.22 ? 248 ILE A O 1 ATOM 1985 C CB . ILE A 1 248 ? 17.446 -0.491 -13.957 1.00 18.64 ? 248 ILE A CB 1 ATOM 1986 C CG1 . ILE A 1 248 ? 18.473 -1.160 -13.031 1.00 19.32 ? 248 ILE A CG1 1 ATOM 1987 C CG2 . ILE A 1 248 ? 17.868 -0.566 -15.424 1.00 18.25 ? 248 ILE A CG2 1 ATOM 1988 C CD1 . ILE A 1 248 ? 18.605 -2.667 -13.222 1.00 19.48 ? 248 ILE A CD1 1 ATOM 1989 N N . PRO A 1 249 ? 16.525 2.452 -15.413 1.00 19.04 ? 249 PRO A N 1 ATOM 1990 C CA . PRO A 1 249 ? 15.522 2.923 -16.373 1.00 19.45 ? 249 PRO A CA 1 ATOM 1991 C C . PRO A 1 249 ? 14.812 1.757 -17.085 1.00 19.83 ? 249 PRO A C 1 ATOM 1992 O O . PRO A 1 249 ? 15.474 0.808 -17.542 1.00 19.51 ? 249 PRO A O 1 ATOM 1993 C CB . PRO A 1 249 ? 16.348 3.748 -17.362 1.00 20.07 ? 249 PRO A CB 1 ATOM 1994 C CG . PRO A 1 249 ? 17.496 4.247 -16.554 1.00 19.66 ? 249 PRO A CG 1 ATOM 1995 C CD . PRO A 1 249 ? 17.833 3.104 -15.630 1.00 19.76 ? 249 PRO A CD 1 ATOM 1996 N N . ALA A 1 250 ? 13.484 1.852 -17.183 1.00 19.26 ? 250 ALA A N 1 ATOM 1997 C CA . ALA A 1 250 ? 12.631 0.706 -17.506 1.00 19.74 ? 250 ALA A CA 1 ATOM 1998 C C . ALA A 1 250 ? 12.729 0.193 -18.938 1.00 19.85 ? 250 ALA A C 1 ATOM 1999 O O . ALA A 1 250 ? 12.130 -0.838 -19.253 1.00 19.82 ? 250 ALA A O 1 ATOM 2000 C CB . ALA A 1 250 ? 11.169 1.023 -17.177 1.00 19.12 ? 250 ALA A CB 1 ATOM 2001 N N . HIS A 1 251 ? 13.435 0.929 -19.800 1.00 19.47 ? 251 HIS A N 1 ATOM 2002 C CA . HIS A 1 251 ? 13.538 0.591 -21.219 1.00 19.86 ? 251 HIS A CA 1 ATOM 2003 C C . HIS A 1 251 ? 14.843 -0.115 -21.614 1.00 19.74 ? 251 HIS A C 1 ATOM 2004 O O . HIS A 1 251 ? 15.027 -0.448 -22.784 1.00 20.13 ? 251 HIS A O 1 ATOM 2005 C CB . HIS A 1 251 ? 13.325 1.849 -22.082 1.00 19.86 ? 251 HIS A CB 1 ATOM 2006 C CG . HIS A 1 251 ? 14.389 2.896 -21.911 1.00 20.81 ? 251 HIS A CG 1 ATOM 2007 N ND1 . HIS A 1 251 ? 14.828 3.328 -20.677 1.00 20.83 ? 251 HIS A ND1 1 ATOM 2008 C CD2 . HIS A 1 251 ? 15.083 3.614 -22.828 1.00 21.35 ? 251 HIS A CD2 1 ATOM 2009 C CE1 . HIS A 1 251 ? 15.753 4.255 -20.839 1.00 21.52 ? 251 HIS A CE1 1 ATOM 2010 N NE2 . HIS A 1 251 ? 15.926 4.447 -22.136 1.00 22.16 ? 251 HIS A NE2 1 ATOM 2011 N N . LEU A 1 252 ? 15.738 -0.349 -20.651 1.00 19.70 ? 252 LEU A N 1 ATOM 2012 C CA . LEU A 1 252 ? 17.080 -0.880 -20.961 1.00 19.66 ? 252 LEU A CA 1 ATOM 2013 C C . LEU A 1 252 ? 17.307 -2.375 -20.684 1.00 19.23 ? 252 LEU A C 1 ATOM 2014 O O . LEU A 1 252 ? 18.454 -2.849 -20.710 1.00 19.22 ? 252 LEU A O 1 ATOM 2015 C CB . LEU A 1 252 ? 18.143 -0.066 -20.206 1.00 19.86 ? 252 LEU A CB 1 ATOM 2016 C CG . LEU A 1 252 ? 18.083 1.451 -20.341 1.00 19.86 ? 252 LEU A CG 1 ATOM 2017 C CD1 . LEU A 1 252 ? 19.199 2.049 -19.490 1.00 20.19 ? 252 LEU A CD1 1 ATOM 2018 C CD2 . LEU A 1 252 ? 18.216 1.856 -21.803 1.00 20.23 ? 252 LEU A CD2 1 ATOM 2019 N N . LEU A 1 253 ? 16.237 -3.118 -20.427 1.00 18.75 ? 253 LEU A N 1 ATOM 2020 C CA . LEU A 1 253 ? 16.377 -4.505 -19.965 1.00 18.87 ? 253 LEU A CA 1 ATOM 2021 C C . LEU A 1 253 ? 16.015 -5.584 -21.010 1.00 19.05 ? 253 LEU A C 1 ATOM 2022 O O . LEU A 1 253 ? 16.009 -6.777 -20.698 1.00 18.69 ? 253 LEU A O 1 ATOM 2023 C CB . LEU A 1 253 ? 15.636 -4.697 -18.625 1.00 18.34 ? 253 LEU A CB 1 ATOM 2024 C CG . LEU A 1 253 ? 16.316 -3.900 -17.482 1.00 18.98 ? 253 LEU A CG 1 ATOM 2025 C CD1 . LEU A 1 253 ? 15.384 -3.554 -16.322 1.00 19.30 ? 253 LEU A CD1 1 ATOM 2026 C CD2 . LEU A 1 253 ? 17.538 -4.634 -16.952 1.00 18.46 ? 253 LEU A CD2 1 ATOM 2027 N N . GLY A 1 254 ? 15.746 -5.166 -22.248 1.00 19.31 ? 254 GLY A N 1 ATOM 2028 C CA . GLY A 1 254 ? 15.588 -6.108 -23.354 1.00 20.24 ? 254 GLY A CA 1 ATOM 2029 C C . GLY A 1 254 ? 14.159 -6.352 -23.794 1.00 20.98 ? 254 GLY A C 1 ATOM 2030 O O . GLY A 1 254 ? 13.914 -6.962 -24.849 1.00 22.30 ? 254 GLY A O 1 ATOM 2031 N N . ASP A 1 255 ? 13.218 -5.830 -23.013 1.00 20.71 ? 255 ASP A N 1 ATOM 2032 C CA . ASP A 1 255 ? 11.810 -6.213 -23.094 1.00 21.27 ? 255 ASP A CA 1 ATOM 2033 C C . ASP A 1 255 ? 10.945 -4.966 -22.798 1.00 20.43 ? 255 ASP A C 1 ATOM 2034 O O . ASP A 1 255 ? 11.317 -4.143 -21.960 1.00 19.61 ? 255 ASP A O 1 ATOM 2035 C CB . ASP A 1 255 ? 11.594 -7.302 -22.035 1.00 22.27 ? 255 ASP A CB 1 ATOM 2036 C CG . ASP A 1 255 ? 10.171 -7.673 -21.859 1.00 23.64 ? 255 ASP A CG 1 ATOM 2037 O OD1 . ASP A 1 255 ? 9.708 -8.535 -22.624 1.00 24.19 ? 255 ASP A OD1 1 ATOM 2038 O OD2 . ASP A 1 255 ? 9.513 -7.112 -20.959 1.00 23.68 ? 255 ASP A OD2 1 ATOM 2039 N N . MET A 1 256 ? 9.804 -4.823 -23.479 1.00 19.72 ? 256 MET A N 1 ATOM 2040 C CA . MET A 1 256 ? 8.947 -3.632 -23.306 1.00 19.21 ? 256 MET A CA 1 ATOM 2041 C C . MET A 1 256 ? 8.523 -3.410 -21.842 1.00 18.52 ? 256 MET A C 1 ATOM 2042 O O . MET A 1 256 ? 8.289 -2.271 -21.425 1.00 17.97 ? 256 MET A O 1 ATOM 2043 C CB . MET A 1 256 ? 7.717 -3.699 -24.234 1.00 19.86 ? 256 MET A CB 1 ATOM 2044 C CG . MET A 1 256 ? 6.821 -2.450 -24.238 1.00 20.09 ? 256 MET A CG 1 ATOM 2045 S SD . MET A 1 256 ? 7.584 -0.897 -24.777 1.00 21.29 ? 256 MET A SD 1 ATOM 2046 C CE . MET A 1 256 ? 7.691 -1.219 -26.539 1.00 21.24 ? 256 MET A CE 1 ATOM 2047 N N . TRP A 1 257 ? 8.435 -4.499 -21.075 1.00 18.06 ? 257 TRP A N 1 ATOM 2048 C CA . TRP A 1 257 ? 7.938 -4.452 -19.689 1.00 17.97 ? 257 TRP A CA 1 ATOM 2049 C C . TRP A 1 257 ? 9.017 -4.701 -18.646 1.00 18.01 ? 257 TRP A C 1 ATOM 2050 O O . TRP A 1 257 ? 8.704 -4.810 -17.450 1.00 17.75 ? 257 TRP A O 1 ATOM 2051 C CB . TRP A 1 257 ? 6.758 -5.430 -19.515 1.00 17.83 ? 257 TRP A CB 1 ATOM 2052 C CG . TRP A 1 257 ? 5.724 -5.091 -20.511 1.00 18.26 ? 257 TRP A CG 1 ATOM 2053 C CD1 . TRP A 1 257 ? 4.774 -4.114 -20.404 1.00 18.61 ? 257 TRP A CD1 1 ATOM 2054 C CD2 . TRP A 1 257 ? 5.594 -5.639 -21.827 1.00 18.48 ? 257 TRP A CD2 1 ATOM 2055 N NE1 . TRP A 1 257 ? 4.040 -4.043 -21.560 1.00 18.75 ? 257 TRP A NE1 1 ATOM 2056 C CE2 . TRP A 1 257 ? 4.521 -4.963 -22.454 1.00 18.72 ? 257 TRP A CE2 1 ATOM 2057 C CE3 . TRP A 1 257 ? 6.282 -6.631 -22.539 1.00 19.07 ? 257 TRP A CE3 1 ATOM 2058 C CZ2 . TRP A 1 257 ? 4.100 -5.258 -23.761 1.00 19.15 ? 257 TRP A CZ2 1 ATOM 2059 C CZ3 . TRP A 1 257 ? 5.869 -6.930 -23.853 1.00 19.23 ? 257 TRP A CZ3 1 ATOM 2060 C CH2 . TRP A 1 257 ? 4.786 -6.242 -24.444 1.00 19.45 ? 257 TRP A CH2 1 ATOM 2061 N N . ALA A 1 258 ? 10.275 -4.760 -19.097 1.00 17.70 ? 258 ALA A N 1 ATOM 2062 C CA . ALA A 1 258 ? 11.412 -5.145 -18.250 1.00 18.14 ? 258 ALA A CA 1 ATOM 2063 C C . ALA A 1 258 ? 11.105 -6.452 -17.500 1.00 18.24 ? 258 ALA A C 1 ATOM 2064 O O . ALA A 1 258 ? 11.594 -6.667 -16.381 1.00 18.16 ? 258 ALA A O 1 ATOM 2065 C CB . ALA A 1 258 ? 11.784 -4.009 -17.273 1.00 17.84 ? 258 ALA A CB 1 ATOM 2066 N N . GLN A 1 259 ? 10.300 -7.327 -18.116 1.00 18.08 ? 259 GLN A N 1 ATOM 2067 C CA . GLN A 1 259 ? 9.812 -8.520 -17.407 1.00 18.48 ? 259 GLN A CA 1 ATOM 2068 C C . GLN A 1 259 ? 10.679 -9.763 -17.605 1.00 18.91 ? 259 GLN A C 1 ATOM 2069 O O . GLN A 1 259 ? 10.653 -10.660 -16.776 1.00 18.67 ? 259 GLN A O 1 ATOM 2070 C CB . GLN A 1 259 ? 8.358 -8.835 -17.787 1.00 19.11 ? 259 GLN A CB 1 ATOM 2071 C CG . GLN A 1 259 ? 8.222 -9.567 -19.109 1.00 20.23 ? 259 GLN A CG 1 ATOM 2072 C CD . GLN A 1 259 ? 6.790 -9.767 -19.524 1.00 20.63 ? 259 GLN A CD 1 ATOM 2073 O OE1 . GLN A 1 259 ? 6.019 -8.807 -19.622 1.00 21.39 ? 259 GLN A OE1 1 ATOM 2074 N NE2 . GLN A 1 259 ? 6.423 -11.015 -19.790 1.00 20.79 ? 259 GLN A NE2 1 ATOM 2075 N N . SER A 1 260 ? 11.414 -9.824 -18.714 1.00 19.24 ? 260 SER A N 1 ATOM 2076 C CA . SER A 1 260 ? 12.423 -10.865 -18.938 1.00 19.77 ? 260 SER A CA 1 ATOM 2077 C C . SER A 1 260 ? 13.664 -10.124 -19.390 1.00 19.28 ? 260 SER A C 1 ATOM 2078 O O . SER A 1 260 ? 13.564 -9.178 -20.173 1.00 19.15 ? 260 SER A O 1 ATOM 2079 C CB . SER A 1 260 ? 11.976 -11.854 -20.024 1.00 20.61 ? 260 SER A CB 1 ATOM 2080 O OG . SER A 1 260 ? 13.089 -12.536 -20.604 1.00 23.80 ? 260 SER A OG 1 ATOM 2081 N N . TRP A 1 261 ? 14.825 -10.509 -18.876 1.00 18.58 ? 261 TRP A N 1 ATOM 2082 C CA . TRP A 1 261 ? 16.038 -9.802 -19.260 1.00 18.57 ? 261 TRP A CA 1 ATOM 2083 C C . TRP A 1 261 ? 16.946 -10.619 -20.179 1.00 19.11 ? 261 TRP A C 1 ATOM 2084 O O . TRP A 1 261 ? 18.097 -10.260 -20.369 1.00 18.33 ? 261 TRP A O 1 ATOM 2085 C CB . TRP A 1 261 ? 16.823 -9.314 -18.030 1.00 18.55 ? 261 TRP A CB 1 ATOM 2086 C CG . TRP A 1 261 ? 16.035 -8.470 -17.030 1.00 18.26 ? 261 TRP A CG 1 ATOM 2087 C CD1 . TRP A 1 261 ? 14.761 -7.980 -17.169 1.00 18.07 ? 261 TRP A CD1 1 ATOM 2088 C CD2 . TRP A 1 261 ? 16.510 -8.001 -15.761 1.00 18.28 ? 261 TRP A CD2 1 ATOM 2089 N NE1 . TRP A 1 261 ? 14.400 -7.256 -16.040 1.00 18.11 ? 261 TRP A NE1 1 ATOM 2090 C CE2 . TRP A 1 261 ? 15.468 -7.239 -15.175 1.00 18.21 ? 261 TRP A CE2 1 ATOM 2091 C CE3 . TRP A 1 261 ? 17.716 -8.165 -15.052 1.00 18.53 ? 261 TRP A CE3 1 ATOM 2092 C CZ2 . TRP A 1 261 ? 15.593 -6.651 -13.914 1.00 18.29 ? 261 TRP A CZ2 1 ATOM 2093 C CZ3 . TRP A 1 261 ? 17.839 -7.582 -13.803 1.00 18.50 ? 261 TRP A CZ3 1 ATOM 2094 C CH2 . TRP A 1 261 ? 16.787 -6.829 -13.245 1.00 18.40 ? 261 TRP A CH2 1 ATOM 2095 N N . GLU A 1 262 ? 16.432 -11.714 -20.737 1.00 20.27 ? 262 GLU A N 1 ATOM 2096 C CA . GLU A 1 262 ? 17.238 -12.579 -21.623 1.00 22.27 ? 262 GLU A CA 1 ATOM 2097 C C . GLU A 1 262 ? 17.958 -11.841 -22.777 1.00 22.65 ? 262 GLU A C 1 ATOM 2098 O O . GLU A 1 262 ? 19.085 -12.204 -23.139 1.00 21.15 ? 262 GLU A O 1 ATOM 2099 C CB . GLU A 1 262 ? 16.419 -13.768 -22.158 1.00 24.41 ? 262 GLU A CB 1 ATOM 2100 C CG . GLU A 1 262 ? 15.140 -13.416 -22.919 1.00 27.75 ? 262 GLU A CG 1 ATOM 2101 C CD . GLU A 1 262 ? 15.325 -13.131 -24.405 1.00 31.23 ? 262 GLU A CD 1 ATOM 2102 O OE1 . GLU A 1 262 ? 16.346 -13.546 -25.003 1.00 34.12 ? 262 GLU A OE1 1 ATOM 2103 O OE2 . GLU A 1 262 ? 14.424 -12.487 -24.998 1.00 35.10 ? 262 GLU A OE2 1 ATOM 2104 N N . ASN A 1 263 ? 17.326 -10.803 -23.332 1.00 22.32 ? 263 ASN A N 1 ATOM 2105 C CA . ASN A 1 263 ? 17.913 -10.072 -24.477 1.00 22.29 ? 263 ASN A CA 1 ATOM 2106 C C . ASN A 1 263 ? 19.188 -9.304 -24.196 1.00 22.08 ? 263 ASN A C 1 ATOM 2107 O O . ASN A 1 263 ? 19.936 -9.004 -25.132 1.00 21.61 ? 263 ASN A O 1 ATOM 2108 C CB . ASN A 1 263 ? 16.894 -9.133 -25.124 1.00 22.57 ? 263 ASN A CB 1 ATOM 2109 C CG . ASN A 1 263 ? 15.860 -9.881 -25.924 1.00 23.52 ? 263 ASN A CG 1 ATOM 2110 O OD1 . ASN A 1 263 ? 16.204 -10.727 -26.740 1.00 23.93 ? 263 ASN A OD1 1 ATOM 2111 N ND2 . ASN A 1 263 ? 14.590 -9.567 -25.709 1.00 23.65 ? 263 ASN A ND2 1 ATOM 2112 N N . ILE A 1 264 ? 19.442 -8.966 -22.931 1.00 20.88 ? 264 ILE A N 1 ATOM 2113 C CA . ILE A 1 264 ? 20.710 -8.296 -22.611 1.00 20.66 ? 264 ILE A CA 1 ATOM 2114 C C . ILE A 1 264 ? 21.771 -9.280 -22.127 1.00 20.64 ? 264 ILE A C 1 ATOM 2115 O O . ILE A 1 264 ? 22.797 -8.877 -21.592 1.00 20.82 ? 264 ILE A O 1 ATOM 2116 C CB . ILE A 1 264 ? 20.538 -7.114 -21.621 1.00 20.70 ? 264 ILE A CB 1 ATOM 2117 C CG1 . ILE A 1 264 ? 19.951 -7.585 -20.282 1.00 20.66 ? 264 ILE A CG1 1 ATOM 2118 C CG2 . ILE A 1 264 ? 19.689 -6.023 -22.256 1.00 20.93 ? 264 ILE A CG2 1 ATOM 2119 C CD1 . ILE A 1 264 ? 20.250 -6.653 -19.120 1.00 20.74 ? 264 ILE A CD1 1 ATOM 2120 N N . TYR A 1 265 ? 21.532 -10.574 -22.335 1.00 20.23 ? 265 TYR A N 1 ATOM 2121 C CA . TYR A 1 265 ? 22.521 -11.597 -21.966 1.00 20.74 ? 265 TYR A CA 1 ATOM 2122 C C . TYR A 1 265 ? 23.965 -11.300 -22.418 1.00 21.79 ? 265 TYR A C 1 ATOM 2123 O O . TYR A 1 265 ? 24.901 -11.528 -21.649 1.00 22.15 ? 265 TYR A O 1 ATOM 2124 C CB . TYR A 1 265 ? 22.103 -12.964 -22.487 1.00 19.92 ? 265 TYR A CB 1 ATOM 2125 C CG . TYR A 1 265 ? 23.074 -14.082 -22.153 1.00 19.56 ? 265 TYR A CG 1 ATOM 2126 C CD1 . TYR A 1 265 ? 23.362 -14.409 -20.826 1.00 19.45 ? 265 TYR A CD1 1 ATOM 2127 C CD2 . TYR A 1 265 ? 23.696 -14.821 -23.169 1.00 19.70 ? 265 TYR A CD2 1 ATOM 2128 C CE1 . TYR A 1 265 ? 24.221 -15.445 -20.514 1.00 19.68 ? 265 TYR A CE1 1 ATOM 2129 C CE2 . TYR A 1 265 ? 24.566 -15.860 -22.868 1.00 20.09 ? 265 TYR A CE2 1 ATOM 2130 C CZ . TYR A 1 265 ? 24.822 -16.163 -21.538 1.00 19.96 ? 265 TYR A CZ 1 ATOM 2131 O OH . TYR A 1 265 ? 25.679 -17.180 -21.223 1.00 20.72 ? 265 TYR A OH 1 ATOM 2132 N N . ASP A 1 266 ? 24.153 -10.808 -23.646 1.00 23.34 ? 266 ASP A N 1 ATOM 2133 C CA . ASP A 1 266 ? 25.516 -10.539 -24.139 1.00 25.99 ? 266 ASP A CA 1 ATOM 2134 C C . ASP A 1 266 ? 26.265 -9.486 -23.316 1.00 26.67 ? 266 ASP A C 1 ATOM 2135 O O . ASP A 1 266 ? 27.487 -9.531 -23.241 1.00 25.88 ? 266 ASP A O 1 ATOM 2136 C CB . ASP A 1 266 ? 25.527 -10.154 -25.617 1.00 27.60 ? 266 ASP A CB 1 ATOM 2137 C CG . ASP A 1 266 ? 24.809 -8.846 -25.889 1.00 29.87 ? 266 ASP A CG 1 ATOM 2138 O OD1 . ASP A 1 266 ? 23.556 -8.840 -25.891 1.00 29.83 ? 266 ASP A OD1 1 ATOM 2139 O OD2 . ASP A 1 266 ? 25.502 -7.819 -26.112 1.00 32.33 ? 266 ASP A OD2 1 ATOM 2140 N N . MET A 1 267 ? 25.530 -8.561 -22.693 1.00 27.60 ? 267 MET A N 1 ATOM 2141 C CA . MET A 1 267 ? 26.137 -7.522 -21.851 1.00 28.80 ? 267 MET A CA 1 ATOM 2142 C C . MET A 1 267 ? 26.473 -8.020 -20.450 1.00 28.18 ? 267 MET A C 1 ATOM 2143 O O . MET A 1 267 ? 27.343 -7.462 -19.767 1.00 29.21 ? 267 MET A O 1 ATOM 2144 C CB . MET A 1 267 ? 25.202 -6.319 -21.714 1.00 30.82 ? 267 MET A CB 1 ATOM 2145 C CG . MET A 1 267 ? 25.146 -5.380 -22.910 1.00 34.07 ? 267 MET A CG 1 ATOM 2146 S SD . MET A 1 267 ? 23.976 -4.015 -22.674 1.00 37.59 ? 267 MET A SD 1 ATOM 2147 C CE . MET A 1 267 ? 24.520 -3.389 -21.093 1.00 38.60 ? 267 MET A CE 1 ATOM 2148 N N . VAL A 1 268 ? 25.782 -9.055 -19.997 1.00 26.48 ? 268 VAL A N 1 ATOM 2149 C CA . VAL A 1 268 ? 25.964 -9.492 -18.613 1.00 26.15 ? 268 VAL A CA 1 ATOM 2150 C C . VAL A 1 268 ? 26.714 -10.812 -18.465 1.00 25.76 ? 268 VAL A C 1 ATOM 2151 O O . VAL A 1 268 ? 27.153 -11.134 -17.369 1.00 26.25 ? 268 VAL A O 1 ATOM 2152 C CB . VAL A 1 268 ? 24.631 -9.511 -17.822 1.00 26.46 ? 268 VAL A CB 1 ATOM 2153 C CG1 . VAL A 1 268 ? 23.869 -8.210 -18.038 1.00 26.52 ? 268 VAL A CG1 1 ATOM 2154 C CG2 . VAL A 1 268 ? 23.770 -10.682 -18.244 1.00 26.52 ? 268 VAL A CG2 1 ATOM 2155 N N . VAL A 1 269 ? 26.861 -11.570 -19.554 1.00 25.49 ? 269 VAL A N 1 ATOM 2156 C CA . VAL A 1 269 ? 27.467 -12.914 -19.489 1.00 25.67 ? 269 VAL A CA 1 ATOM 2157 C C . VAL A 1 269 ? 28.825 -12.882 -18.763 1.00 26.72 ? 269 VAL A C 1 ATOM 2158 O O . VAL A 1 269 ? 29.739 -12.192 -19.201 1.00 26.39 ? 269 VAL A O 1 ATOM 2159 C CB . VAL A 1 269 ? 27.544 -13.599 -20.883 1.00 25.24 ? 269 VAL A CB 1 ATOM 2160 C CG1 . VAL A 1 269 ? 28.149 -12.685 -21.944 1.00 25.37 ? 269 VAL A CG1 1 ATOM 2161 C CG2 . VAL A 1 269 ? 28.298 -14.920 -20.815 1.00 25.98 ? 269 VAL A CG2 1 ATOM 2162 N N . PRO A 1 270 ? 28.938 -13.602 -17.627 1.00 27.60 ? 270 PRO A N 1 ATOM 2163 C CA . PRO A 1 270 ? 30.154 -13.580 -16.804 1.00 29.10 ? 270 PRO A CA 1 ATOM 2164 C C . PRO A 1 270 ? 31.408 -14.013 -17.551 1.00 29.70 ? 270 PRO A C 1 ATOM 2165 O O . PRO A 1 270 ? 32.426 -13.350 -17.445 1.00 32.74 ? 270 PRO A O 1 ATOM 2166 C CB . PRO A 1 270 ? 29.840 -14.584 -15.698 1.00 28.98 ? 270 PRO A CB 1 ATOM 2167 C CG . PRO A 1 270 ? 28.369 -14.574 -15.603 1.00 28.92 ? 270 PRO A CG 1 ATOM 2168 C CD . PRO A 1 270 ? 27.904 -14.454 -17.020 1.00 28.23 ? 270 PRO A CD 1 ATOM 2169 N N . PHE A 1 271 ? 31.326 -15.100 -18.314 1.00 29.43 ? 271 PHE A N 1 ATOM 2170 C CA . PHE A 1 271 ? 32.495 -15.660 -18.987 1.00 29.74 ? 271 PHE A CA 1 ATOM 2171 C C . PHE A 1 271 ? 32.273 -15.740 -20.500 1.00 31.51 ? 271 PHE A C 1 ATOM 2172 O O . PHE A 1 271 ? 31.979 -16.812 -21.034 1.00 30.04 ? 271 PHE A O 1 ATOM 2173 C CB . PHE A 1 271 ? 32.891 -17.010 -18.348 1.00 28.86 ? 271 PHE A CB 1 ATOM 2174 C CG . PHE A 1 271 ? 33.044 -16.932 -16.845 1.00 28.41 ? 271 PHE A CG 1 ATOM 2175 C CD1 . PHE A 1 271 ? 34.217 -16.444 -16.275 1.00 28.94 ? 271 PHE A CD1 1 ATOM 2176 C CD2 . PHE A 1 271 ? 31.997 -17.299 -15.998 1.00 28.11 ? 271 PHE A CD2 1 ATOM 2177 C CE1 . PHE A 1 271 ? 34.352 -16.339 -14.895 1.00 28.67 ? 271 PHE A CE1 1 ATOM 2178 C CE2 . PHE A 1 271 ? 32.124 -17.197 -14.614 1.00 28.14 ? 271 PHE A CE2 1 ATOM 2179 C CZ . PHE A 1 271 ? 33.303 -16.712 -14.063 1.00 29.02 ? 271 PHE A CZ 1 ATOM 2180 N N . PRO A 1 272 ? 32.433 -14.586 -21.193 1.00 34.92 ? 272 PRO A N 1 ATOM 2181 C CA . PRO A 1 272 ? 32.206 -14.400 -22.638 1.00 37.93 ? 272 PRO A CA 1 ATOM 2182 C C . PRO A 1 272 ? 33.044 -15.283 -23.565 1.00 40.81 ? 272 PRO A C 1 ATOM 2183 O O . PRO A 1 272 ? 32.743 -15.359 -24.758 1.00 42.98 ? 272 PRO A O 1 ATOM 2184 C CB . PRO A 1 272 ? 32.577 -12.926 -22.872 1.00 36.65 ? 272 PRO A CB 1 ATOM 2185 C CG . PRO A 1 272 ? 32.490 -12.287 -21.534 1.00 36.35 ? 272 PRO A CG 1 ATOM 2186 C CD . PRO A 1 272 ? 32.919 -13.344 -20.566 1.00 34.69 ? 272 PRO A CD 1 ATOM 2187 N N . ASP A 1 273 ? 34.077 -15.939 -23.040 1.00 43.06 ? 273 ASP A N 1 ATOM 2188 C CA . ASP A 1 273 ? 34.938 -16.779 -23.881 1.00 42.73 ? 273 ASP A CA 1 ATOM 2189 C C . ASP A 1 273 ? 34.500 -18.243 -23.940 1.00 41.64 ? 273 ASP A C 1 ATOM 2190 O O . ASP A 1 273 ? 35.122 -19.055 -24.629 1.00 41.83 ? 273 ASP A O 1 ATOM 2191 C CB . ASP A 1 273 ? 36.410 -16.658 -23.463 1.00 45.73 ? 273 ASP A CB 1 ATOM 2192 C CG . ASP A 1 273 ? 37.363 -16.721 -24.656 1.00 46.48 ? 273 ASP A CG 1 ATOM 2193 O OD1 . ASP A 1 273 ? 37.126 -15.996 -25.649 1.00 46.78 ? 273 ASP A OD1 1 ATOM 2194 O OD2 . ASP A 1 273 ? 38.351 -17.487 -24.598 1.00 47.45 ? 273 ASP A OD2 1 ATOM 2195 N N . LYS A 1 274 ? 33.430 -18.578 -23.218 1.00 39.91 ? 274 LYS A N 1 ATOM 2196 C CA . LYS A 1 274 ? 32.826 -19.905 -23.307 1.00 38.00 ? 274 LYS A CA 1 ATOM 2197 C C . LYS A 1 274 ? 31.822 -19.894 -24.467 1.00 37.58 ? 274 LYS A C 1 ATOM 2198 O O . LYS A 1 274 ? 31.500 -18.828 -24.984 1.00 36.75 ? 274 LYS A O 1 ATOM 2199 C CB . LYS A 1 274 ? 32.141 -20.299 -21.981 1.00 37.28 ? 274 LYS A CB 1 ATOM 2200 C CG . LYS A 1 274 ? 32.983 -20.154 -20.710 1.00 37.25 ? 274 LYS A CG 1 ATOM 2201 C CD . LYS A 1 274 ? 34.317 -20.897 -20.761 1.00 38.02 ? 274 LYS A CD 1 ATOM 2202 C CE . LYS A 1 274 ? 34.154 -22.405 -20.705 1.00 37.44 ? 274 LYS A CE 1 ATOM 2203 N NZ . LYS A 1 274 ? 35.469 -23.094 -20.558 1.00 38.96 ? 274 LYS A NZ 1 ATOM 2204 N N . PRO A 1 275 ? 31.334 -21.074 -24.890 1.00 37.82 ? 275 PRO A N 1 ATOM 2205 C CA . PRO A 1 275 ? 30.310 -21.156 -25.938 1.00 37.17 ? 275 PRO A CA 1 ATOM 2206 C C . PRO A 1 275 ? 29.095 -20.263 -25.672 1.00 34.47 ? 275 PRO A C 1 ATOM 2207 O O . PRO A 1 275 ? 28.641 -20.144 -24.531 1.00 30.91 ? 275 PRO A O 1 ATOM 2208 C CB . PRO A 1 275 ? 29.884 -22.632 -25.901 1.00 39.05 ? 275 PRO A CB 1 ATOM 2209 C CG . PRO A 1 275 ? 30.457 -23.182 -24.626 1.00 40.79 ? 275 PRO A CG 1 ATOM 2210 C CD . PRO A 1 275 ? 31.722 -22.415 -24.428 1.00 40.13 ? 275 PRO A CD 1 ATOM 2211 N N . ASN A 1 276 ? 28.589 -19.648 -26.737 1.00 33.29 ? 276 ASN A N 1 ATOM 2212 C CA . ASN A 1 276 ? 27.476 -18.726 -26.641 1.00 31.40 ? 276 ASN A CA 1 ATOM 2213 C C . ASN A 1 276 ? 26.145 -19.457 -26.452 1.00 29.86 ? 276 ASN A C 1 ATOM 2214 O O . ASN A 1 276 ? 25.624 -20.077 -27.387 1.00 29.40 ? 276 ASN A O 1 ATOM 2215 C CB . ASN A 1 276 ? 27.447 -17.805 -27.865 1.00 31.94 ? 276 ASN A CB 1 ATOM 2216 C CG . ASN A 1 276 ? 26.216 -16.923 -27.902 1.00 32.16 ? 276 ASN A CG 1 ATOM 2217 O OD1 . ASN A 1 276 ? 25.609 -16.610 -26.861 1.00 31.19 ? 276 ASN A OD1 1 ATOM 2218 N ND2 . ASN A 1 276 ? 25.826 -16.524 -29.105 1.00 32.16 ? 276 ASN A ND2 1 ATOM 2219 N N . LEU A 1 277 ? 25.598 -19.372 -25.238 1.00 28.39 ? 277 LEU A N 1 ATOM 2220 C CA . LEU A 1 277 ? 24.410 -20.159 -24.862 1.00 27.94 ? 277 LEU A CA 1 ATOM 2221 C C . LEU A 1 277 ? 23.110 -19.606 -25.404 1.00 27.61 ? 277 LEU A C 1 ATOM 2222 O O . LEU A 1 277 ? 22.061 -20.244 -25.271 1.00 27.65 ? 277 LEU A O 1 ATOM 2223 C CB . LEU A 1 277 ? 24.317 -20.342 -23.339 1.00 27.82 ? 277 LEU A CB 1 ATOM 2224 C CG . LEU A 1 277 ? 25.548 -20.968 -22.678 1.00 28.58 ? 277 LEU A CG 1 ATOM 2225 C CD1 . LEU A 1 277 ? 25.349 -21.139 -21.182 1.00 27.52 ? 277 LEU A CD1 1 ATOM 2226 C CD2 . LEU A 1 277 ? 25.946 -22.289 -23.328 1.00 28.63 ? 277 LEU A CD2 1 ATOM 2227 N N . ASP A 1 278 ? 23.167 -18.414 -25.988 1.00 26.94 ? 278 ASP A N 1 ATOM 2228 C CA . ASP A 1 278 ? 22.030 -17.885 -26.720 1.00 27.89 ? 278 ASP A CA 1 ATOM 2229 C C . ASP A 1 278 ? 22.179 -18.317 -28.169 1.00 27.08 ? 278 ASP A C 1 ATOM 2230 O O . ASP A 1 278 ? 23.067 -17.838 -28.869 1.00 26.43 ? 278 ASP A O 1 ATOM 2231 C CB . ASP A 1 278 ? 21.965 -16.352 -26.611 1.00 30.27 ? 278 ASP A CB 1 ATOM 2232 C CG . ASP A 1 278 ? 20.733 -15.754 -27.301 1.00 33.15 ? 278 ASP A CG 1 ATOM 2233 O OD1 . ASP A 1 278 ? 20.019 -16.455 -28.065 1.00 33.95 ? 278 ASP A OD1 1 ATOM 2234 O OD2 . ASP A 1 278 ? 20.481 -14.554 -27.084 1.00 35.07 ? 278 ASP A OD2 1 ATOM 2235 N N . VAL A 1 279 ? 21.298 -19.217 -28.604 1.00 24.62 ? 279 VAL A N 1 ATOM 2236 C CA . VAL A 1 279 ? 21.414 -19.875 -29.905 1.00 23.23 ? 279 VAL A CA 1 ATOM 2237 C C . VAL A 1 279 ? 20.627 -19.172 -31.007 1.00 22.84 ? 279 VAL A C 1 ATOM 2238 O O . VAL A 1 279 ? 20.515 -19.697 -32.124 1.00 23.16 ? 279 VAL A O 1 ATOM 2239 C CB . VAL A 1 279 ? 20.957 -21.357 -29.834 1.00 22.84 ? 279 VAL A CB 1 ATOM 2240 C CG1 . VAL A 1 279 ? 21.726 -22.102 -28.765 1.00 22.87 ? 279 VAL A CG1 1 ATOM 2241 C CG2 . VAL A 1 279 ? 19.454 -21.464 -29.587 1.00 22.12 ? 279 VAL A CG2 1 ATOM 2242 N N . THR A 1 280 ? 20.075 -18.001 -30.692 1.00 22.16 ? 280 THR A N 1 ATOM 2243 C CA . THR A 1 280 ? 19.314 -17.200 -31.659 1.00 22.46 ? 280 THR A CA 1 ATOM 2244 C C . THR A 1 280 ? 20.052 -17.039 -32.996 1.00 23.07 ? 280 THR A C 1 ATOM 2245 O O . THR A 1 280 ? 19.481 -17.284 -34.059 1.00 23.21 ? 280 THR A O 1 ATOM 2246 C CB . THR A 1 280 ? 18.948 -15.800 -31.100 1.00 22.27 ? 280 THR A CB 1 ATOM 2247 O OG1 . THR A 1 280 ? 18.052 -15.937 -29.983 1.00 22.88 ? 280 THR A OG1 1 ATOM 2248 C CG2 . THR A 1 280 ? 18.278 -14.935 -32.190 1.00 22.60 ? 280 THR A CG2 1 ATOM 2249 N N . SER A 1 281 ? 21.312 -16.616 -32.937 1.00 23.80 ? 281 SER A N 1 ATOM 2250 C CA . SER A 1 281 ? 22.066 -16.330 -34.162 1.00 25.12 ? 281 SER A CA 1 ATOM 2251 C C . SER A 1 281 ? 22.368 -17.611 -34.949 1.00 24.65 ? 281 SER A C 1 ATOM 2252 O O . SER A 1 281 ? 22.490 -17.571 -36.158 1.00 25.52 ? 281 SER A O 1 ATOM 2253 C CB . SER A 1 281 ? 23.357 -15.580 -33.847 1.00 25.70 ? 281 SER A CB 1 ATOM 2254 O OG . SER A 1 281 ? 24.243 -16.439 -33.148 1.00 27.91 ? 281 SER A OG 1 ATOM 2255 N N . THR A 1 282 ? 22.480 -18.740 -34.254 1.00 24.34 ? 282 THR A N 1 ATOM 2256 C CA . THR A 1 282 ? 22.628 -20.045 -34.909 1.00 23.96 ? 282 THR A CA 1 ATOM 2257 C C . THR A 1 282 ? 21.322 -20.473 -35.597 1.00 23.30 ? 282 THR A C 1 ATOM 2258 O O . THR A 1 282 ? 21.349 -21.058 -36.684 1.00 22.65 ? 282 THR A O 1 ATOM 2259 C CB . THR A 1 282 ? 23.101 -21.124 -33.905 1.00 24.17 ? 282 THR A CB 1 ATOM 2260 O OG1 . THR A 1 282 ? 24.362 -20.732 -33.340 1.00 25.17 ? 282 THR A OG1 1 ATOM 2261 C CG2 . THR A 1 282 ? 23.276 -22.479 -34.585 1.00 23.79 ? 282 THR A CG2 1 ATOM 2262 N N . MET A 1 283 ? 20.187 -20.184 -34.960 1.00 22.67 ? 283 MET A N 1 ATOM 2263 C CA . MET A 1 283 ? 18.873 -20.451 -35.558 1.00 22.60 ? 283 MET A CA 1 ATOM 2264 C C . MET A 1 283 ? 18.677 -19.688 -36.875 1.00 23.38 ? 283 MET A C 1 ATOM 2265 O O . MET A 1 283 ? 18.190 -20.246 -37.855 1.00 23.86 ? 283 MET A O 1 ATOM 2266 C CB . MET A 1 283 ? 17.749 -20.091 -34.571 1.00 21.74 ? 283 MET A CB 1 ATOM 2267 C CG . MET A 1 283 ? 17.640 -21.020 -33.365 1.00 20.73 ? 283 MET A CG 1 ATOM 2268 S SD . MET A 1 283 ? 16.406 -20.448 -32.159 1.00 20.87 ? 283 MET A SD 1 ATOM 2269 C CE . MET A 1 283 ? 14.871 -20.767 -33.025 1.00 20.12 ? 283 MET A CE 1 ATOM 2270 N N . LEU A 1 284 ? 19.052 -18.412 -36.878 1.00 24.85 ? 284 LEU A N 1 ATOM 2271 C CA . LEU A 1 284 ? 19.018 -17.583 -38.085 1.00 27.27 ? 284 LEU A CA 1 ATOM 2272 C C . LEU A 1 284 ? 19.983 -18.107 -39.153 1.00 28.30 ? 284 LEU A C 1 ATOM 2273 O O . LEU A 1 284 ? 19.593 -18.325 -40.299 1.00 29.73 ? 284 LEU A O 1 ATOM 2274 C CB . LEU A 1 284 ? 19.331 -16.121 -37.738 1.00 27.89 ? 284 LEU A CB 1 ATOM 2275 C CG . LEU A 1 284 ? 18.256 -15.432 -36.898 1.00 28.64 ? 284 LEU A CG 1 ATOM 2276 C CD1 . LEU A 1 284 ? 18.730 -14.054 -36.444 1.00 29.17 ? 284 LEU A CD1 1 ATOM 2277 C CD2 . LEU A 1 284 ? 16.947 -15.339 -37.670 1.00 28.48 ? 284 LEU A CD2 1 ATOM 2278 N N . GLN A 1 285 ? 21.233 -18.333 -38.767 1.00 29.24 ? 285 GLN A N 1 ATOM 2279 C CA . GLN A 1 285 ? 22.235 -18.870 -39.689 1.00 30.77 ? 285 GLN A CA 1 ATOM 2280 C C . GLN A 1 285 ? 21.791 -20.205 -40.323 1.00 29.21 ? 285 GLN A C 1 ATOM 2281 O O . GLN A 1 285 ? 21.965 -20.414 -41.524 1.00 28.32 ? 285 GLN A O 1 ATOM 2282 C CB . GLN A 1 285 ? 23.575 -19.009 -38.973 1.00 34.33 ? 285 GLN A CB 1 ATOM 2283 C CG . GLN A 1 285 ? 24.690 -19.574 -39.836 1.00 40.42 ? 285 GLN A CG 1 ATOM 2284 C CD . GLN A 1 285 ? 25.251 -20.839 -39.233 1.00 43.81 ? 285 GLN A CD 1 ATOM 2285 O OE1 . GLN A 1 285 ? 25.963 -20.798 -38.224 1.00 46.83 ? 285 GLN A OE1 1 ATOM 2286 N NE2 . GLN A 1 285 ? 24.906 -21.980 -39.828 1.00 44.25 ? 285 GLN A NE2 1 ATOM 2287 N N . GLN A 1 286 ? 21.186 -21.087 -39.524 1.00 27.11 ? 286 GLN A N 1 ATOM 2288 C CA . GLN A 1 286 ? 20.667 -22.368 -40.025 1.00 25.87 ? 286 GLN A CA 1 ATOM 2289 C C . GLN A 1 286 ? 19.341 -22.227 -40.782 1.00 25.78 ? 286 GLN A C 1 ATOM 2290 O O . GLN A 1 286 ? 18.901 -23.168 -41.453 1.00 25.61 ? 286 GLN A O 1 ATOM 2291 C CB . GLN A 1 286 ? 20.496 -23.379 -38.877 1.00 25.82 ? 286 GLN A CB 1 ATOM 2292 C CG . GLN A 1 286 ? 21.803 -23.936 -38.336 1.00 26.21 ? 286 GLN A CG 1 ATOM 2293 C CD . GLN A 1 286 ? 21.607 -24.929 -37.201 1.00 25.44 ? 286 GLN A CD 1 ATOM 2294 O OE1 . GLN A 1 286 ? 20.481 -25.209 -36.784 1.00 24.21 ? 286 GLN A OE1 1 ATOM 2295 N NE2 . GLN A 1 286 ? 22.713 -25.471 -36.700 1.00 25.36 ? 286 GLN A NE2 1 ATOM 2296 N N . GLY A 1 287 ? 18.693 -21.069 -40.656 1.00 25.12 ? 287 GLY A N 1 ATOM 2297 C CA . GLY A 1 287 ? 17.461 -20.808 -41.398 1.00 25.64 ? 287 GLY A CA 1 ATOM 2298 C C . GLY A 1 287 ? 16.215 -21.482 -40.841 1.00 25.17 ? 287 GLY A C 1 ATOM 2299 O O . GLY A 1 287 ? 15.343 -21.921 -41.600 1.00 25.49 ? 287 GLY A O 1 ATOM 2300 N N . TRP A 1 288 ? 16.128 -21.566 -39.514 1.00 23.99 ? 288 TRP A N 1 ATOM 2301 C CA . TRP A 1 288 ? 14.921 -22.062 -38.841 1.00 23.37 ? 288 TRP A CA 1 ATOM 2302 C C . TRP A 1 288 ? 13.753 -21.160 -39.173 1.00 23.34 ? 288 TRP A C 1 ATOM 2303 O O . TRP A 1 288 ? 13.921 -19.942 -39.249 1.00 23.31 ? 288 TRP A O 1 ATOM 2304 C CB . TRP A 1 288 ? 15.107 -22.035 -37.319 1.00 22.37 ? 288 TRP A CB 1 ATOM 2305 C CG . TRP A 1 288 ? 15.971 -23.112 -36.786 1.00 22.48 ? 288 TRP A CG 1 ATOM 2306 C CD1 . TRP A 1 288 ? 17.287 -23.354 -37.101 1.00 22.35 ? 288 TRP A CD1 1 ATOM 2307 C CD2 . TRP A 1 288 ? 15.606 -24.087 -35.809 1.00 21.91 ? 288 TRP A CD2 1 ATOM 2308 N NE1 . TRP A 1 288 ? 17.746 -24.433 -36.396 1.00 22.17 ? 288 TRP A NE1 1 ATOM 2309 C CE2 . TRP A 1 288 ? 16.741 -24.898 -35.586 1.00 21.52 ? 288 TRP A CE2 1 ATOM 2310 C CE3 . TRP A 1 288 ? 14.420 -24.362 -35.103 1.00 21.97 ? 288 TRP A CE3 1 ATOM 2311 C CZ2 . TRP A 1 288 ? 16.731 -25.977 -34.684 1.00 21.41 ? 288 TRP A CZ2 1 ATOM 2312 C CZ3 . TRP A 1 288 ? 14.410 -25.431 -34.201 1.00 21.28 ? 288 TRP A CZ3 1 ATOM 2313 C CH2 . TRP A 1 288 ? 15.560 -26.224 -34.000 1.00 21.31 ? 288 TRP A CH2 1 ATOM 2314 N N . GLN A 1 289 ? 12.579 -21.755 -39.357 1.00 23.39 ? 289 GLN A N 1 ATOM 2315 C CA . GLN A 1 289 ? 11.326 -21.007 -39.529 1.00 24.38 ? 289 GLN A CA 1 ATOM 2316 C C . GLN A 1 289 ? 10.336 -21.422 -38.449 1.00 23.20 ? 289 GLN A C 1 ATOM 2317 O O . GLN A 1 289 ? 10.601 -22.369 -37.711 1.00 22.17 ? 289 GLN A O 1 ATOM 2318 C CB . GLN A 1 289 ? 10.718 -21.280 -40.909 1.00 25.82 ? 289 GLN A CB 1 ATOM 2319 C CG . GLN A 1 289 ? 11.637 -20.944 -42.080 1.00 29.03 ? 289 GLN A CG 1 ATOM 2320 C CD . GLN A 1 289 ? 11.904 -19.451 -42.235 1.00 30.93 ? 289 GLN A CD 1 ATOM 2321 O OE1 . GLN A 1 289 ? 11.207 -18.613 -41.660 1.00 31.74 ? 289 GLN A OE1 1 ATOM 2322 N NE2 . GLN A 1 289 ? 12.915 -19.111 -43.041 1.00 33.84 ? 289 GLN A NE2 1 ATOM 2323 N N . ALA A 1 290 ? 9.185 -20.750 -38.386 1.00 23.12 ? 290 ALA A N 1 ATOM 2324 C CA . ALA A 1 290 ? 8.166 -21.078 -37.382 1.00 23.88 ? 290 ALA A CA 1 ATOM 2325 C C . ALA A 1 290 ? 7.782 -22.555 -37.415 1.00 24.65 ? 290 ALA A C 1 ATOM 2326 O O . ALA A 1 290 ? 7.675 -23.191 -36.368 1.00 24.50 ? 290 ALA A O 1 ATOM 2327 C CB . ALA A 1 290 ? 6.939 -20.193 -37.537 1.00 23.67 ? 290 ALA A CB 1 ATOM 2328 N N . THR A 1 291 ? 7.603 -23.103 -38.619 1.00 25.87 ? 291 THR A N 1 ATOM 2329 C CA . THR A 1 291 ? 7.277 -24.528 -38.802 1.00 26.32 ? 291 THR A CA 1 ATOM 2330 C C . THR A 1 291 ? 8.274 -25.446 -38.086 1.00 25.05 ? 291 THR A C 1 ATOM 2331 O O . THR A 1 291 ? 7.871 -26.354 -37.352 1.00 24.71 ? 291 THR A O 1 ATOM 2332 C CB . THR A 1 291 ? 7.203 -24.908 -40.303 1.00 29.02 ? 291 THR A CB 1 ATOM 2333 O OG1 . THR A 1 291 ? 6.175 -24.141 -40.931 1.00 32.08 ? 291 THR A OG1 1 ATOM 2334 C CG2 . THR A 1 291 ? 6.876 -26.376 -40.480 1.00 29.73 ? 291 THR A CG2 1 ATOM 2335 N N . HIS A 1 292 ? 9.567 -25.199 -38.273 1.00 23.49 ? 292 HIS A N 1 ATOM 2336 C CA . HIS A 1 292 ? 10.589 -26.006 -37.621 1.00 22.56 ? 292 HIS A CA 1 ATOM 2337 C C . HIS A 1 292 ? 10.460 -25.936 -36.113 1.00 21.17 ? 292 HIS A C 1 ATOM 2338 O O . HIS A 1 292 ? 10.562 -26.949 -35.437 1.00 20.19 ? 292 HIS A O 1 ATOM 2339 C CB . HIS A 1 292 ? 11.996 -25.550 -38.012 1.00 24.22 ? 292 HIS A CB 1 ATOM 2340 C CG . HIS A 1 292 ? 12.254 -25.568 -39.486 1.00 25.21 ? 292 HIS A CG 1 ATOM 2341 N ND1 . HIS A 1 292 ? 12.014 -24.479 -40.295 1.00 26.18 ? 292 HIS A ND1 1 ATOM 2342 C CD2 . HIS A 1 292 ? 12.749 -26.536 -40.294 1.00 26.16 ? 292 HIS A CD2 1 ATOM 2343 C CE1 . HIS A 1 292 ? 12.338 -24.778 -41.542 1.00 26.40 ? 292 HIS A CE1 1 ATOM 2344 N NE2 . HIS A 1 292 ? 12.795 -26.017 -41.566 1.00 26.57 ? 292 HIS A NE2 1 ATOM 2345 N N . MET A 1 293 ? 10.247 -24.729 -35.592 1.00 20.05 ? 293 MET A N 1 ATOM 2346 C CA . MET A 1 293 ? 10.161 -24.515 -34.143 1.00 19.23 ? 293 MET A CA 1 ATOM 2347 C C . MET A 1 293 ? 9.024 -25.328 -33.529 1.00 18.71 ? 293 MET A C 1 ATOM 2348 O O . MET A 1 293 ? 9.205 -26.014 -32.516 1.00 17.85 ? 293 MET A O 1 ATOM 2349 C CB . MET A 1 293 ? 10.013 -23.011 -33.858 1.00 19.24 ? 293 MET A CB 1 ATOM 2350 C CG . MET A 1 293 ? 11.251 -22.210 -34.276 1.00 19.33 ? 293 MET A CG 1 ATOM 2351 S SD . MET A 1 293 ? 10.979 -20.432 -34.440 1.00 20.57 ? 293 MET A SD 1 ATOM 2352 C CE . MET A 1 293 ? 10.964 -19.957 -32.705 1.00 19.90 ? 293 MET A CE 1 ATOM 2353 N N . PHE A 1 294 ? 7.865 -25.282 -34.185 1.00 18.62 ? 294 PHE A N 1 ATOM 2354 C CA . PHE A 1 294 ? 6.688 -26.029 -33.735 1.00 18.47 ? 294 PHE A CA 1 ATOM 2355 C C . PHE A 1 294 ? 6.875 -27.535 -33.844 1.00 18.39 ? 294 PHE A C 1 ATOM 2356 O O . PHE A 1 294 ? 6.428 -28.290 -32.967 1.00 18.31 ? 294 PHE A O 1 ATOM 2357 C CB . PHE A 1 294 ? 5.416 -25.544 -34.459 1.00 18.30 ? 294 PHE A CB 1 ATOM 2358 C CG . PHE A 1 294 ? 4.812 -24.308 -33.834 1.00 18.30 ? 294 PHE A CG 1 ATOM 2359 C CD1 . PHE A 1 294 ? 5.250 -23.038 -34.197 1.00 18.68 ? 294 PHE A CD1 1 ATOM 2360 C CD2 . PHE A 1 294 ? 3.830 -24.418 -32.853 1.00 17.97 ? 294 PHE A CD2 1 ATOM 2361 C CE1 . PHE A 1 294 ? 4.723 -21.902 -33.590 1.00 18.42 ? 294 PHE A CE1 1 ATOM 2362 C CE2 . PHE A 1 294 ? 3.296 -23.291 -32.247 1.00 18.15 ? 294 PHE A CE2 1 ATOM 2363 C CZ . PHE A 1 294 ? 3.741 -22.029 -32.616 1.00 18.28 ? 294 PHE A CZ 1 ATOM 2364 N N . ARG A 1 295 ? 7.549 -27.983 -34.903 1.00 18.32 ? 295 ARG A N 1 ATOM 2365 C CA . ARG A 1 295 ? 7.795 -29.415 -35.069 1.00 18.50 ? 295 ARG A CA 1 ATOM 2366 C C . ARG A 1 295 ? 8.800 -29.947 -34.051 1.00 18.31 ? 295 ARG A C 1 ATOM 2367 O O . ARG A 1 295 ? 8.651 -31.062 -33.536 1.00 18.02 ? 295 ARG A O 1 ATOM 2368 C CB . ARG A 1 295 ? 8.245 -29.735 -36.503 1.00 19.43 ? 295 ARG A CB 1 ATOM 2369 C CG . ARG A 1 295 ? 7.115 -29.654 -37.526 1.00 19.65 ? 295 ARG A CG 1 ATOM 2370 C CD . ARG A 1 295 ? 6.086 -30.768 -37.313 1.00 20.00 ? 295 ARG A CD 1 ATOM 2371 N NE . ARG A 1 295 ? 4.980 -30.646 -38.264 1.00 20.79 ? 295 ARG A NE 1 ATOM 2372 C CZ . ARG A 1 295 ? 3.971 -31.508 -38.372 1.00 21.17 ? 295 ARG A CZ 1 ATOM 2373 N NH1 . ARG A 1 295 ? 3.895 -32.566 -37.566 1.00 20.87 ? 295 ARG A NH1 1 ATOM 2374 N NH2 . ARG A 1 295 ? 3.026 -31.302 -39.279 1.00 21.77 ? 295 ARG A NH2 1 ATOM 2375 N N . VAL A 1 296 ? 9.818 -29.139 -33.756 1.00 18.13 ? 296 VAL A N 1 ATOM 2376 C CA . VAL A 1 296 ? 10.822 -29.522 -32.773 1.00 18.66 ? 296 VAL A CA 1 ATOM 2377 C C . VAL A 1 296 ? 10.170 -29.625 -31.374 1.00 17.94 ? 296 VAL A C 1 ATOM 2378 O O . VAL A 1 296 ? 10.380 -30.606 -30.654 1.00 18.39 ? 296 VAL A O 1 ATOM 2379 C CB . VAL A 1 296 ? 12.044 -28.573 -32.830 1.00 18.81 ? 296 VAL A CB 1 ATOM 2380 C CG1 . VAL A 1 296 ? 13.040 -28.876 -31.721 1.00 19.27 ? 296 VAL A CG1 1 ATOM 2381 C CG2 . VAL A 1 296 ? 12.731 -28.693 -34.196 1.00 19.73 ? 296 VAL A CG2 1 ATOM 2382 N N . ALA A 1 297 ? 9.352 -28.634 -31.025 1.00 17.83 ? 297 ALA A N 1 ATOM 2383 C CA . ALA A 1 297 ? 8.557 -28.646 -29.783 1.00 17.34 ? 297 ALA A CA 1 ATOM 2384 C C . ALA A 1 297 ? 7.653 -29.882 -29.702 1.00 17.51 ? 297 ALA A C 1 ATOM 2385 O O . ALA A 1 297 ? 7.627 -30.583 -28.694 1.00 17.05 ? 297 ALA A O 1 ATOM 2386 C CB . ALA A 1 297 ? 7.735 -27.355 -29.657 1.00 16.92 ? 297 ALA A CB 1 ATOM 2387 N N . GLU A 1 298 ? 6.912 -30.149 -30.773 1.00 18.62 ? 298 GLU A N 1 ATOM 2388 C CA . GLU A 1 298 ? 6.054 -31.345 -30.822 1.00 19.37 ? 298 GLU A CA 1 ATOM 2389 C C . GLU A 1 298 ? 6.824 -32.636 -30.526 1.00 19.22 ? 298 GLU A C 1 ATOM 2390 O O . GLU A 1 298 ? 6.364 -33.512 -29.774 1.00 18.58 ? 298 GLU A O 1 ATOM 2391 C CB . GLU A 1 298 ? 5.370 -31.450 -32.179 1.00 20.65 ? 298 GLU A CB 1 ATOM 2392 C CG . GLU A 1 298 ? 4.603 -32.748 -32.373 1.00 21.88 ? 298 GLU A CG 1 ATOM 2393 C CD . GLU A 1 298 ? 3.997 -32.851 -33.748 1.00 23.63 ? 298 GLU A CD 1 ATOM 2394 O OE1 . GLU A 1 298 ? 4.757 -32.826 -34.751 1.00 23.42 ? 298 GLU A OE1 1 ATOM 2395 O OE2 . GLU A 1 298 ? 2.749 -32.954 -33.821 1.00 24.27 ? 298 GLU A OE2 1 ATOM 2396 N N . GLU A 1 299 ? 8.010 -32.745 -31.112 1.00 19.52 ? 299 GLU A N 1 ATOM 2397 C CA . GLU A 1 299 ? 8.768 -33.973 -31.001 1.00 19.92 ? 299 GLU A CA 1 ATOM 2398 C C . GLU A 1 299 ? 9.255 -34.194 -29.557 1.00 18.99 ? 299 GLU A C 1 ATOM 2399 O O . GLU A 1 299 ? 9.401 -35.336 -29.138 1.00 18.27 ? 299 GLU A O 1 ATOM 2400 C CB . GLU A 1 299 ? 9.901 -34.017 -32.038 1.00 20.69 ? 299 GLU A CB 1 ATOM 2401 C CG . GLU A 1 299 ? 10.502 -35.399 -32.270 1.00 22.51 ? 299 GLU A CG 1 ATOM 2402 C CD . GLU A 1 299 ? 11.508 -35.790 -31.201 1.00 23.26 ? 299 GLU A CD 1 ATOM 2403 O OE1 . GLU A 1 299 ? 12.280 -34.914 -30.742 1.00 23.79 ? 299 GLU A OE1 1 ATOM 2404 O OE2 . GLU A 1 299 ? 11.529 -36.979 -30.801 1.00 24.39 ? 299 GLU A OE2 1 ATOM 2405 N N . PHE A 1 300 ? 9.479 -33.116 -28.792 1.00 19.11 ? 300 PHE A N 1 ATOM 2406 C CA . PHE A 1 300 ? 9.817 -33.275 -27.374 1.00 18.57 ? 300 PHE A CA 1 ATOM 2407 C C . PHE A 1 300 ? 8.618 -33.921 -26.680 1.00 18.17 ? 300 PHE A C 1 ATOM 2408 O O . PHE A 1 300 ? 8.770 -34.906 -25.962 1.00 18.57 ? 300 PHE A O 1 ATOM 2409 C CB . PHE A 1 300 ? 10.198 -31.941 -26.694 1.00 18.86 ? 300 PHE A CB 1 ATOM 2410 C CG . PHE A 1 300 ? 10.981 -32.109 -25.410 1.00 19.04 ? 300 PHE A CG 1 ATOM 2411 C CD1 . PHE A 1 300 ? 10.357 -32.515 -24.230 1.00 19.63 ? 300 PHE A CD1 1 ATOM 2412 C CD2 . PHE A 1 300 ? 12.338 -31.846 -25.373 1.00 19.52 ? 300 PHE A CD2 1 ATOM 2413 C CE1 . PHE A 1 300 ? 11.087 -32.661 -23.042 1.00 19.60 ? 300 PHE A CE1 1 ATOM 2414 C CE2 . PHE A 1 300 ? 13.071 -31.982 -24.196 1.00 19.66 ? 300 PHE A CE2 1 ATOM 2415 C CZ . PHE A 1 300 ? 12.449 -32.394 -23.030 1.00 19.37 ? 300 PHE A CZ 1 ATOM 2416 N N . PHE A 1 301 ? 7.428 -33.382 -26.912 1.00 17.93 ? 301 PHE A N 1 ATOM 2417 C CA . PHE A 1 301 ? 6.209 -33.976 -26.349 1.00 18.13 ? 301 PHE A CA 1 ATOM 2418 C C . PHE A 1 301 ? 6.025 -35.465 -26.696 1.00 18.17 ? 301 PHE A C 1 ATOM 2419 O O . PHE A 1 301 ? 5.730 -36.277 -25.810 1.00 17.45 ? 301 PHE A O 1 ATOM 2420 C CB . PHE A 1 301 ? 4.971 -33.192 -26.765 1.00 18.34 ? 301 PHE A CB 1 ATOM 2421 C CG . PHE A 1 301 ? 4.790 -31.892 -26.030 1.00 18.21 ? 301 PHE A CG 1 ATOM 2422 C CD1 . PHE A 1 301 ? 4.151 -31.862 -24.794 1.00 18.25 ? 301 PHE A CD1 1 ATOM 2423 C CD2 . PHE A 1 301 ? 5.227 -30.693 -26.585 1.00 17.98 ? 301 PHE A CD2 1 ATOM 2424 C CE1 . PHE A 1 301 ? 3.965 -30.664 -24.121 1.00 17.71 ? 301 PHE A CE1 1 ATOM 2425 C CE2 . PHE A 1 301 ? 5.036 -29.494 -25.917 1.00 18.58 ? 301 PHE A CE2 1 ATOM 2426 C CZ . PHE A 1 301 ? 4.396 -29.477 -24.685 1.00 17.73 ? 301 PHE A CZ 1 ATOM 2427 N N . THR A 1 302 ? 6.212 -35.835 -27.967 1.00 18.59 ? 302 THR A N 1 ATOM 2428 C CA . THR A 1 302 ? 6.077 -37.248 -28.334 1.00 18.86 ? 302 THR A CA 1 ATOM 2429 C C . THR A 1 302 ? 7.223 -38.112 -27.770 1.00 18.85 ? 302 THR A C 1 ATOM 2430 O O . THR A 1 302 ? 7.020 -39.295 -27.502 1.00 18.80 ? 302 THR A O 1 ATOM 2431 C CB . THR A 1 302 ? 5.918 -37.479 -29.856 1.00 19.98 ? 302 THR A CB 1 ATOM 2432 O OG1 . THR A 1 302 ? 7.008 -36.873 -30.558 1.00 21.03 ? 302 THR A OG1 1 ATOM 2433 C CG2 . THR A 1 302 ? 4.578 -36.918 -30.372 1.00 20.17 ? 302 THR A CG2 1 ATOM 2434 N N . SER A 1 303 ? 8.413 -37.534 -27.568 1.00 18.33 ? 303 SER A N 1 ATOM 2435 C CA . SER A 1 303 ? 9.521 -38.288 -26.950 1.00 18.79 ? 303 SER A CA 1 ATOM 2436 C C . SER A 1 303 ? 9.121 -38.787 -25.554 1.00 19.33 ? 303 SER A C 1 ATOM 2437 O O . SER A 1 303 ? 9.599 -39.832 -25.081 1.00 19.62 ? 303 SER A O 1 ATOM 2438 C CB . SER A 1 303 ? 10.807 -37.449 -26.865 1.00 18.29 ? 303 SER A CB 1 ATOM 2439 O OG . SER A 1 303 ? 10.827 -36.636 -25.703 1.00 18.19 ? 303 SER A OG 1 ATOM 2440 N N . LEU A 1 304 ? 8.241 -38.028 -24.910 1.00 19.53 ? 304 LEU A N 1 ATOM 2441 C CA . LEU A 1 304 ? 7.727 -38.361 -23.585 1.00 20.33 ? 304 LEU A CA 1 ATOM 2442 C C . LEU A 1 304 ? 6.510 -39.281 -23.639 1.00 21.64 ? 304 LEU A C 1 ATOM 2443 O O . LEU A 1 304 ? 5.924 -39.589 -22.597 1.00 21.52 ? 304 LEU A O 1 ATOM 2444 C CB . LEU A 1 304 ? 7.309 -37.084 -22.850 1.00 19.91 ? 304 LEU A CB 1 ATOM 2445 C CG . LEU A 1 304 ? 8.367 -35.998 -22.671 1.00 19.46 ? 304 LEU A CG 1 ATOM 2446 C CD1 . LEU A 1 304 ? 7.787 -34.842 -21.858 1.00 19.49 ? 304 LEU A CD1 1 ATOM 2447 C CD2 . LEU A 1 304 ? 9.570 -36.584 -21.977 1.00 19.98 ? 304 LEU A CD2 1 ATOM 2448 N N . GLU A 1 305 ? 6.112 -39.670 -24.851 1.00 23.12 ? 305 GLU A N 1 ATOM 2449 C CA . GLU A 1 305 ? 4.872 -40.418 -25.083 1.00 24.15 ? 305 GLU A CA 1 ATOM 2450 C C . GLU A 1 305 ? 3.615 -39.625 -24.721 1.00 24.50 ? 305 GLU A C 1 ATOM 2451 O O . GLU A 1 305 ? 2.592 -40.189 -24.314 1.00 23.94 ? 305 GLU A O 1 ATOM 2452 C CB . GLU A 1 305 ? 4.901 -41.798 -24.405 1.00 26.73 ? 305 GLU A CB 1 ATOM 2453 C CG . GLU A 1 305 ? 5.513 -42.884 -25.278 1.00 29.75 ? 305 GLU A CG 1 ATOM 2454 C CD . GLU A 1 305 ? 6.005 -44.093 -24.488 1.00 32.83 ? 305 GLU A CD 1 ATOM 2455 O OE1 . GLU A 1 305 ? 5.585 -44.302 -23.326 1.00 34.77 ? 305 GLU A OE1 1 ATOM 2456 O OE2 . GLU A 1 305 ? 6.846 -44.833 -25.029 1.00 35.41 ? 305 GLU A OE2 1 ATOM 2457 N N . LEU A 1 306 ? 3.705 -38.307 -24.867 1.00 23.46 ? 306 LEU A N 1 ATOM 2458 C CA . LEU A 1 306 ? 2.520 -37.454 -24.864 1.00 23.37 ? 306 LEU A CA 1 ATOM 2459 C C . LEU A 1 306 ? 1.991 -37.336 -26.316 1.00 23.56 ? 306 LEU A C 1 ATOM 2460 O O . LEU A 1 306 ? 2.565 -37.945 -27.236 1.00 23.57 ? 306 LEU A O 1 ATOM 2461 C CB . LEU A 1 306 ? 2.842 -36.099 -24.205 1.00 23.10 ? 306 LEU A CB 1 ATOM 2462 C CG . LEU A 1 306 ? 3.263 -36.213 -22.729 1.00 23.59 ? 306 LEU A CG 1 ATOM 2463 C CD1 . LEU A 1 306 ? 3.805 -34.897 -22.174 1.00 23.78 ? 306 LEU A CD1 1 ATOM 2464 C CD2 . LEU A 1 306 ? 2.123 -36.724 -21.855 1.00 23.38 ? 306 LEU A CD2 1 ATOM 2465 N N . SER A 1 307 ? 0.903 -36.595 -26.532 1.00 22.46 ? 307 SER A N 1 ATOM 2466 C CA . SER A 1 307 ? 0.247 -36.611 -27.843 1.00 23.10 ? 307 SER A CA 1 ATOM 2467 C C . SER A 1 307 ? 0.914 -35.685 -28.858 1.00 22.29 ? 307 SER A C 1 ATOM 2468 O O . SER A 1 307 ? 1.390 -34.607 -28.489 1.00 21.56 ? 307 SER A O 1 ATOM 2469 C CB . SER A 1 307 ? -1.243 -36.274 -27.713 1.00 23.73 ? 307 SER A CB 1 ATOM 2470 O OG . SER A 1 307 ? -1.856 -37.198 -26.839 1.00 24.75 ? 307 SER A OG 1 ATOM 2471 N N . PRO A 1 308 ? 0.970 -36.109 -30.135 1.00 21.87 ? 308 PRO A N 1 ATOM 2472 C CA . PRO A 1 308 ? 1.388 -35.177 -31.170 1.00 21.81 ? 308 PRO A CA 1 ATOM 2473 C C . PRO A 1 308 ? 0.287 -34.138 -31.365 1.00 21.32 ? 308 PRO A C 1 ATOM 2474 O O . PRO A 1 308 ? -0.809 -34.280 -30.808 1.00 20.85 ? 308 PRO A O 1 ATOM 2475 C CB . PRO A 1 308 ? 1.516 -36.076 -32.419 1.00 22.43 ? 308 PRO A CB 1 ATOM 2476 C CG . PRO A 1 308 ? 0.507 -37.151 -32.178 1.00 22.86 ? 308 PRO A CG 1 ATOM 2477 C CD . PRO A 1 308 ? 0.647 -37.434 -30.698 1.00 23.02 ? 308 PRO A CD 1 ATOM 2478 N N . MET A 1 309 ? 0.584 -33.086 -32.112 1.00 20.81 ? 309 MET A N 1 ATOM 2479 C CA . MET A 1 309 ? -0.442 -32.137 -32.499 1.00 21.43 ? 309 MET A CA 1 ATOM 2480 C C . MET A 1 309 ? -1.291 -32.796 -33.578 1.00 22.32 ? 309 MET A C 1 ATOM 2481 O O . MET A 1 309 ? -0.741 -33.379 -34.511 1.00 22.71 ? 309 MET A O 1 ATOM 2482 C CB . MET A 1 309 ? 0.180 -30.848 -33.011 1.00 21.11 ? 309 MET A CB 1 ATOM 2483 C CG . MET A 1 309 ? 0.983 -30.085 -31.974 1.00 21.01 ? 309 MET A CG 1 ATOM 2484 S SD . MET A 1 309 ? 0.050 -29.609 -30.499 1.00 21.16 ? 309 MET A SD 1 ATOM 2485 C CE . MET A 1 309 ? 0.560 -30.860 -29.330 1.00 20.94 ? 309 MET A CE 1 ATOM 2486 N N . PRO A 1 310 ? -2.628 -32.737 -33.436 1.00 22.63 ? 310 PRO A N 1 ATOM 2487 C CA . PRO A 1 310 ? -3.494 -33.370 -34.438 1.00 22.75 ? 310 PRO A CA 1 ATOM 2488 C C . PRO A 1 310 ? -3.528 -32.583 -35.758 1.00 23.20 ? 310 PRO A C 1 ATOM 2489 O O . PRO A 1 310 ? -3.091 -31.429 -35.787 1.00 22.27 ? 310 PRO A O 1 ATOM 2490 C CB . PRO A 1 310 ? -4.873 -33.354 -33.771 1.00 23.17 ? 310 PRO A CB 1 ATOM 2491 C CG . PRO A 1 310 ? -4.833 -32.197 -32.822 1.00 22.70 ? 310 PRO A CG 1 ATOM 2492 C CD . PRO A 1 310 ? -3.402 -32.117 -32.336 1.00 22.32 ? 310 PRO A CD 1 ATOM 2493 N N . PRO A 1 311 ? -4.015 -33.214 -36.857 1.00 23.90 ? 311 PRO A N 1 ATOM 2494 C CA . PRO A 1 311 ? -4.160 -32.528 -38.156 1.00 24.08 ? 311 PRO A CA 1 ATOM 2495 C C . PRO A 1 311 ? -4.914 -31.196 -38.070 1.00 23.78 ? 311 PRO A C 1 ATOM 2496 O O . PRO A 1 311 ? -4.496 -30.214 -38.691 1.00 23.44 ? 311 PRO A O 1 ATOM 2497 C CB . PRO A 1 311 ? -4.940 -33.540 -38.995 1.00 24.62 ? 311 PRO A CB 1 ATOM 2498 C CG . PRO A 1 311 ? -4.495 -34.850 -38.454 1.00 24.50 ? 311 PRO A CG 1 ATOM 2499 C CD . PRO A 1 311 ? -4.364 -34.645 -36.964 1.00 23.94 ? 311 PRO A CD 1 ATOM 2500 N N . GLU A 1 312 ? -5.996 -31.164 -37.288 1.00 23.87 ? 312 GLU A N 1 ATOM 2501 C CA . GLU A 1 312 ? -6.793 -29.952 -37.063 1.00 24.37 ? 312 GLU A CA 1 ATOM 2502 C C . GLU A 1 312 ? -5.958 -28.785 -36.526 1.00 23.22 ? 312 GLU A C 1 ATOM 2503 O O . GLU A 1 312 ? -6.225 -27.624 -36.850 1.00 23.16 ? 312 GLU A O 1 ATOM 2504 C CB . GLU A 1 312 ? -7.930 -30.240 -36.072 1.00 25.79 ? 312 GLU A CB 1 ATOM 2505 C CG . GLU A 1 312 ? -9.048 -31.122 -36.628 1.00 27.96 ? 312 GLU A CG 1 ATOM 2506 C CD . GLU A 1 312 ? -8.756 -32.608 -36.518 1.00 29.09 ? 312 GLU A CD 1 ATOM 2507 O OE1 . GLU A 1 312 ? -7.665 -32.996 -36.046 1.00 29.17 ? 312 GLU A OE1 1 ATOM 2508 O OE2 . GLU A 1 312 ? -9.631 -33.403 -36.911 1.00 30.06 ? 312 GLU A OE2 1 ATOM 2509 N N . PHE A 1 313 ? -4.961 -29.104 -35.706 1.00 22.03 ? 313 PHE A N 1 ATOM 2510 C CA . PHE A 1 313 ? -4.044 -28.097 -35.174 1.00 21.67 ? 313 PHE A CA 1 ATOM 2511 C C . PHE A 1 313 ? -3.219 -27.495 -36.297 1.00 21.70 ? 313 PHE A C 1 ATOM 2512 O O . PHE A 1 313 ? -3.148 -26.275 -36.430 1.00 21.75 ? 313 PHE A O 1 ATOM 2513 C CB . PHE A 1 313 ? -3.126 -28.691 -34.094 1.00 21.21 ? 313 PHE A CB 1 ATOM 2514 C CG . PHE A 1 313 ? -1.982 -27.781 -33.699 1.00 20.47 ? 313 PHE A CG 1 ATOM 2515 C CD1 . PHE A 1 313 ? -0.769 -27.803 -34.400 1.00 20.60 ? 313 PHE A CD1 1 ATOM 2516 C CD2 . PHE A 1 313 ? -2.124 -26.904 -32.628 1.00 19.95 ? 313 PHE A CD2 1 ATOM 2517 C CE1 . PHE A 1 313 ? 0.280 -26.964 -34.028 1.00 20.20 ? 313 PHE A CE1 1 ATOM 2518 C CE2 . PHE A 1 313 ? -1.086 -26.066 -32.254 1.00 19.47 ? 313 PHE A CE2 1 ATOM 2519 C CZ . PHE A 1 313 ? 0.114 -26.094 -32.959 1.00 19.73 ? 313 PHE A CZ 1 ATOM 2520 N N . TRP A 1 314 ? -2.599 -28.347 -37.111 1.00 22.58 ? 314 TRP A N 1 ATOM 2521 C CA . TRP A 1 314 ? -1.745 -27.863 -38.204 1.00 23.62 ? 314 TRP A CA 1 ATOM 2522 C C . TRP A 1 314 ? -2.539 -27.127 -39.295 1.00 25.22 ? 314 TRP A C 1 ATOM 2523 O O . TRP A 1 314 ? -2.069 -26.131 -39.842 1.00 26.07 ? 314 TRP A O 1 ATOM 2524 C CB . TRP A 1 314 ? -0.900 -29.003 -38.797 1.00 23.69 ? 314 TRP A CB 1 ATOM 2525 C CG . TRP A 1 314 ? 0.039 -29.610 -37.796 1.00 22.89 ? 314 TRP A CG 1 ATOM 2526 C CD1 . TRP A 1 314 ? -0.082 -30.837 -37.211 1.00 22.68 ? 314 TRP A CD1 1 ATOM 2527 C CD2 . TRP A 1 314 ? 1.241 -29.019 -37.250 1.00 22.02 ? 314 TRP A CD2 1 ATOM 2528 N NE1 . TRP A 1 314 ? 0.966 -31.054 -36.348 1.00 22.09 ? 314 TRP A NE1 1 ATOM 2529 C CE2 . TRP A 1 314 ? 1.785 -29.955 -36.342 1.00 21.81 ? 314 TRP A CE2 1 ATOM 2530 C CE3 . TRP A 1 314 ? 1.901 -27.795 -37.439 1.00 21.81 ? 314 TRP A CE3 1 ATOM 2531 C CZ2 . TRP A 1 314 ? 2.964 -29.712 -35.615 1.00 21.50 ? 314 TRP A CZ2 1 ATOM 2532 C CZ3 . TRP A 1 314 ? 3.099 -27.552 -36.715 1.00 21.31 ? 314 TRP A CZ3 1 ATOM 2533 C CH2 . TRP A 1 314 ? 3.605 -28.506 -35.817 1.00 21.19 ? 314 TRP A CH2 1 ATOM 2534 N N . GLU A 1 315 ? -3.744 -27.605 -39.595 1.00 26.60 ? 315 GLU A N 1 ATOM 2535 C CA . GLU A 1 315 ? -4.582 -26.949 -40.607 1.00 28.90 ? 315 GLU A CA 1 ATOM 2536 C C . GLU A 1 315 ? -5.142 -25.606 -40.131 1.00 27.96 ? 315 GLU A C 1 ATOM 2537 O O . GLU A 1 315 ? -5.254 -24.667 -40.920 1.00 28.90 ? 315 GLU A O 1 ATOM 2538 C CB . GLU A 1 315 ? -5.728 -27.862 -41.048 1.00 31.48 ? 315 GLU A CB 1 ATOM 2539 C CG . GLU A 1 315 ? -5.281 -29.083 -41.840 1.00 34.62 ? 315 GLU A CG 1 ATOM 2540 C CD . GLU A 1 315 ? -4.592 -28.718 -43.144 1.00 38.30 ? 315 GLU A CD 1 ATOM 2541 O OE1 . GLU A 1 315 ? -5.272 -28.165 -44.040 1.00 41.08 ? 315 GLU A OE1 1 ATOM 2542 O OE2 . GLU A 1 315 ? -3.369 -28.984 -43.276 1.00 39.46 ? 315 GLU A OE2 1 ATOM 2543 N N . GLY A 1 316 ? -5.484 -25.519 -38.845 1.00 26.54 ? 316 GLY A N 1 ATOM 2544 C CA . GLY A 1 316 ? -6.225 -24.362 -38.318 1.00 25.18 ? 316 GLY A CA 1 ATOM 2545 C C . GLY A 1 316 ? -5.406 -23.276 -37.650 1.00 24.20 ? 316 GLY A C 1 ATOM 2546 O O . GLY A 1 316 ? -5.842 -22.122 -37.584 1.00 24.17 ? 316 GLY A O 1 ATOM 2547 N N . SER A 1 317 ? -4.223 -23.629 -37.156 1.00 23.48 ? 317 SER A N 1 ATOM 2548 C CA . SER A 1 317 ? -3.398 -22.690 -36.391 1.00 23.15 ? 317 SER A CA 1 ATOM 2549 C C . SER A 1 317 ? -2.834 -21.540 -37.229 1.00 24.27 ? 317 SER A C 1 ATOM 2550 O O . SER A 1 317 ? -2.554 -21.702 -38.412 1.00 23.98 ? 317 SER A O 1 ATOM 2551 C CB . SER A 1 317 ? -2.258 -23.436 -35.692 1.00 22.80 ? 317 SER A CB 1 ATOM 2552 O OG . SER A 1 317 ? -2.776 -24.350 -34.740 1.00 21.78 ? 317 SER A OG 1 ATOM 2553 N N . MET A 1 318 ? -2.660 -20.378 -36.605 1.00 24.11 ? 318 MET A N 1 ATOM 2554 C CA . MET A 1 318 ? -1.952 -19.272 -37.237 1.00 26.07 ? 318 MET A CA 1 ATOM 2555 C C . MET A 1 318 ? -0.560 -19.186 -36.613 1.00 25.89 ? 318 MET A C 1 ATOM 2556 O O . MET A 1 318 ? -0.414 -18.784 -35.447 1.00 24.48 ? 318 MET A O 1 ATOM 2557 C CB . MET A 1 318 ? -2.716 -17.960 -37.031 1.00 27.31 ? 318 MET A CB 1 ATOM 2558 C CG . MET A 1 318 ? -2.187 -16.784 -37.832 1.00 28.20 ? 318 MET A CG 1 ATOM 2559 S SD . MET A 1 318 ? -2.597 -15.200 -37.065 1.00 29.75 ? 318 MET A SD 1 ATOM 2560 C CE . MET A 1 318 ? -1.244 -14.949 -35.930 1.00 28.33 ? 318 MET A CE 1 ATOM 2561 N N . LEU A 1 319 ? 0.464 -19.570 -37.372 1.00 26.12 ? 319 LEU A N 1 ATOM 2562 C CA . LEU A 1 319 ? 1.808 -19.715 -36.784 1.00 26.72 ? 319 LEU A CA 1 ATOM 2563 C C . LEU A 1 319 ? 2.791 -18.600 -37.119 1.00 27.10 ? 319 LEU A C 1 ATOM 2564 O O . LEU A 1 319 ? 3.882 -18.556 -36.565 1.00 27.52 ? 319 LEU A O 1 ATOM 2565 C CB . LEU A 1 319 ? 2.410 -21.088 -37.102 1.00 27.08 ? 319 LEU A CB 1 ATOM 2566 C CG . LEU A 1 319 ? 1.584 -22.328 -36.720 1.00 26.89 ? 319 LEU A CG 1 ATOM 2567 C CD1 . LEU A 1 319 ? 2.276 -23.596 -37.196 1.00 27.64 ? 319 LEU A CD1 1 ATOM 2568 C CD2 . LEU A 1 319 ? 1.293 -22.397 -35.229 1.00 27.04 ? 319 LEU A CD2 1 ATOM 2569 N N . GLU A 1 320 ? 2.391 -17.708 -38.020 1.00 27.48 ? 320 GLU A N 1 ATOM 2570 C CA . GLU A 1 320 ? 3.144 -16.505 -38.364 1.00 28.39 ? 320 GLU A CA 1 ATOM 2571 C C . GLU A 1 320 ? 2.172 -15.343 -38.464 1.00 28.08 ? 320 GLU A C 1 ATOM 2572 O O . GLU A 1 320 ? 0.982 -15.551 -38.714 1.00 27.36 ? 320 GLU A O 1 ATOM 2573 C CB . GLU A 1 320 ? 3.837 -16.676 -39.719 1.00 30.39 ? 320 GLU A CB 1 ATOM 2574 C CG . GLU A 1 320 ? 5.126 -17.474 -39.651 1.00 33.12 ? 320 GLU A CG 1 ATOM 2575 C CD . GLU A 1 320 ? 5.648 -17.880 -41.020 1.00 35.26 ? 320 GLU A CD 1 ATOM 2576 O OE1 . GLU A 1 320 ? 5.045 -17.493 -42.047 1.00 37.65 ? 320 GLU A OE1 1 ATOM 2577 O OE2 . GLU A 1 320 ? 6.667 -18.600 -41.065 1.00 35.69 ? 320 GLU A OE2 1 ATOM 2578 N N . LYS A 1 321 ? 2.668 -14.126 -38.251 1.00 28.45 ? 321 LYS A N 1 ATOM 2579 C CA . LYS A 1 321 ? 1.895 -12.922 -38.573 1.00 30.34 ? 321 LYS A CA 1 ATOM 2580 C C . LYS A 1 321 ? 1.519 -12.937 -40.068 1.00 31.67 ? 321 LYS A C 1 ATOM 2581 O O . LYS A 1 321 ? 2.393 -13.134 -40.910 1.00 30.35 ? 321 LYS A O 1 ATOM 2582 C CB . LYS A 1 321 ? 2.712 -11.669 -38.259 1.00 30.04 ? 321 LYS A CB 1 ATOM 2583 C CG . LYS A 1 321 ? 1.897 -10.384 -38.259 1.00 29.88 ? 321 LYS A CG 1 ATOM 2584 C CD . LYS A 1 321 ? 2.689 -9.250 -37.634 1.00 30.38 ? 321 LYS A CD 1 ATOM 2585 C CE . LYS A 1 321 ? 1.864 -7.979 -37.568 1.00 31.03 ? 321 LYS A CE 1 ATOM 2586 N NZ . LYS A 1 321 ? 2.710 -6.848 -37.088 1.00 32.94 ? 321 LYS A NZ 1 ATOM 2587 N N . PRO A 1 322 ? 0.219 -12.766 -40.397 1.00 34.46 ? 322 PRO A N 1 ATOM 2588 C CA . PRO A 1 322 ? -0.182 -12.768 -41.813 1.00 36.61 ? 322 PRO A CA 1 ATOM 2589 C C . PRO A 1 322 ? 0.504 -11.678 -42.626 1.00 39.41 ? 322 PRO A C 1 ATOM 2590 O O . PRO A 1 322 ? 0.680 -10.553 -42.150 1.00 39.05 ? 322 PRO A O 1 ATOM 2591 C CB . PRO A 1 322 ? -1.690 -12.529 -41.749 1.00 36.67 ? 322 PRO A CB 1 ATOM 2592 C CG . PRO A 1 322 ? -2.085 -13.144 -40.448 1.00 36.01 ? 322 PRO A CG 1 ATOM 2593 C CD . PRO A 1 322 ? -0.958 -12.801 -39.508 1.00 34.16 ? 322 PRO A CD 1 ATOM 2594 N N . ALA A 1 323 ? 0.898 -12.041 -43.840 1.00 44.25 ? 323 ALA A N 1 ATOM 2595 C CA . ALA A 1 323 ? 1.610 -11.155 -44.750 1.00 49.37 ? 323 ALA A CA 1 ATOM 2596 C C . ALA A 1 323 ? 0.657 -10.266 -45.549 1.00 53.00 ? 323 ALA A C 1 ATOM 2597 O O . ALA A 1 323 ? 1.032 -9.164 -45.957 1.00 54.81 ? 323 ALA A O 1 ATOM 2598 C CB . ALA A 1 323 ? 2.497 -11.970 -45.685 1.00 50.69 ? 323 ALA A CB 1 ATOM 2599 N N . ASP A 1 324 ? -0.568 -10.746 -45.775 1.00 56.25 ? 324 ASP A N 1 ATOM 2600 C CA . ASP A 1 324 ? -1.607 -9.938 -46.428 1.00 59.29 ? 324 ASP A CA 1 ATOM 2601 C C . ASP A 1 324 ? -2.024 -8.757 -45.545 1.00 60.01 ? 324 ASP A C 1 ATOM 2602 O O . ASP A 1 324 ? -1.524 -8.603 -44.428 1.00 62.96 ? 324 ASP A O 1 ATOM 2603 C CB . ASP A 1 324 ? -2.819 -10.795 -46.839 1.00 59.91 ? 324 ASP A CB 1 ATOM 2604 C CG . ASP A 1 324 ? -3.438 -11.569 -45.673 1.00 61.42 ? 324 ASP A CG 1 ATOM 2605 O OD1 . ASP A 1 324 ? -3.630 -10.998 -44.578 1.00 58.72 ? 324 ASP A OD1 1 ATOM 2606 O OD2 . ASP A 1 324 ? -3.753 -12.762 -45.863 1.00 63.98 ? 324 ASP A OD2 1 ATOM 2607 N N . GLY A 1 325 ? -2.931 -7.926 -46.048 1.00 61.58 ? 325 GLY A N 1 ATOM 2608 C CA . GLY A 1 325 ? -3.383 -6.741 -45.319 1.00 62.21 ? 325 GLY A CA 1 ATOM 2609 C C . GLY A 1 325 ? -4.372 -7.072 -44.217 1.00 62.30 ? 325 GLY A C 1 ATOM 2610 O O . GLY A 1 325 ? -5.564 -6.756 -44.327 1.00 65.20 ? 325 GLY A O 1 ATOM 2611 N N . ARG A 1 326 ? -3.877 -7.701 -43.151 1.00 57.30 ? 326 ARG A N 1 ATOM 2612 C CA . ARG A 1 326 ? -4.741 -8.180 -42.085 1.00 52.41 ? 326 ARG A CA 1 ATOM 2613 C C . ARG A 1 326 ? -4.219 -7.778 -40.715 1.00 50.05 ? 326 ARG A C 1 ATOM 2614 O O . ARG A 1 326 ? -3.027 -7.905 -40.424 1.00 50.41 ? 326 ARG A O 1 ATOM 2615 C CB . ARG A 1 326 ? -4.875 -9.697 -42.157 1.00 50.66 ? 326 ARG A CB 1 ATOM 2616 C CG . ARG A 1 326 ? -6.304 -10.201 -42.118 1.00 47.63 ? 326 ARG A CG 1 ATOM 2617 C CD . ARG A 1 326 ? -6.367 -11.645 -41.659 1.00 46.23 ? 326 ARG A CD 1 ATOM 2618 N NE . ARG A 1 326 ? -5.556 -12.550 -42.471 1.00 45.50 ? 326 ARG A NE 1 ATOM 2619 C CZ . ARG A 1 326 ? -5.234 -13.790 -42.116 1.00 44.69 ? 326 ARG A CZ 1 ATOM 2620 N NH1 . ARG A 1 326 ? -5.645 -14.293 -40.954 1.00 44.34 ? 326 ARG A NH1 1 ATOM 2621 N NH2 . ARG A 1 326 ? -4.493 -14.533 -42.920 1.00 46.01 ? 326 ARG A NH2 1 ATOM 2622 N N . GLU A 1 327 ? -5.118 -7.277 -39.879 1.00 46.97 ? 327 GLU A N 1 ATOM 2623 C CA . GLU A 1 327 ? -4.780 -7.019 -38.492 1.00 44.06 ? 327 GLU A CA 1 ATOM 2624 C C . GLU A 1 327 ? -5.187 -8.223 -37.657 1.00 39.51 ? 327 GLU A C 1 ATOM 2625 O O . GLU A 1 327 ? -6.269 -8.789 -37.851 1.00 38.95 ? 327 GLU A O 1 ATOM 2626 C CB . GLU A 1 327 ? -5.437 -5.736 -37.987 1.00 46.32 ? 327 GLU A CB 1 ATOM 2627 C CG . GLU A 1 327 ? -5.020 -4.498 -38.767 1.00 49.81 ? 327 GLU A CG 1 ATOM 2628 C CD . GLU A 1 327 ? -4.703 -3.318 -37.869 1.00 50.94 ? 327 GLU A CD 1 ATOM 2629 O OE1 . GLU A 1 327 ? -3.732 -3.395 -37.076 1.00 51.06 ? 327 GLU A OE1 1 ATOM 2630 O OE2 . GLU A 1 327 ? -5.419 -2.302 -37.967 1.00 52.71 ? 327 GLU A OE2 1 ATOM 2631 N N . VAL A 1 328 ? -4.289 -8.626 -36.763 1.00 35.32 ? 328 VAL A N 1 ATOM 2632 C CA . VAL A 1 328 ? -4.492 -9.765 -35.874 1.00 31.59 ? 328 VAL A CA 1 ATOM 2633 C C . VAL A 1 328 ? -4.034 -9.398 -34.470 1.00 29.75 ? 328 VAL A C 1 ATOM 2634 O O . VAL A 1 328 ? -3.279 -8.445 -34.280 1.00 29.03 ? 328 VAL A O 1 ATOM 2635 C CB . VAL A 1 328 ? -3.702 -11.022 -36.331 1.00 31.70 ? 328 VAL A CB 1 ATOM 2636 C CG1 . VAL A 1 328 ? -4.089 -11.448 -37.742 1.00 32.10 ? 328 VAL A CG1 1 ATOM 2637 C CG2 . VAL A 1 328 ? -2.198 -10.792 -36.229 1.00 31.43 ? 328 VAL A CG2 1 ATOM 2638 N N . VAL A 1 329 ? -4.499 -10.164 -33.490 1.00 28.13 ? 329 VAL A N 1 ATOM 2639 C CA . VAL A 1 329 ? -3.955 -10.118 -32.148 1.00 26.87 ? 329 VAL A CA 1 ATOM 2640 C C . VAL A 1 329 ? -2.677 -10.954 -32.194 1.00 27.03 ? 329 VAL A C 1 ATOM 2641 O O . VAL A 1 329 ? -2.726 -12.177 -32.381 1.00 26.54 ? 329 VAL A O 1 ATOM 2642 C CB . VAL A 1 329 ? -4.946 -10.690 -31.110 1.00 26.30 ? 329 VAL A CB 1 ATOM 2643 C CG1 . VAL A 1 329 ? -4.301 -10.749 -29.730 1.00 25.74 ? 329 VAL A CG1 1 ATOM 2644 C CG2 . VAL A 1 329 ? -6.225 -9.857 -31.066 1.00 26.28 ? 329 VAL A CG2 1 ATOM 2645 N N . CYS A 1 330 ? -1.529 -10.301 -32.045 1.00 26.74 ? 330 CYS A N 1 ATOM 2646 C CA . CYS A 1 330 ? -0.269 -11.032 -32.139 1.00 26.37 ? 330 CYS A CA 1 ATOM 2647 C C . CYS A 1 330 ? 0.153 -11.724 -30.853 1.00 25.21 ? 330 CYS A C 1 ATOM 2648 O O . CYS A 1 330 ? 0.914 -12.685 -30.912 1.00 25.06 ? 330 CYS A O 1 ATOM 2649 C CB . CYS A 1 330 ? 0.864 -10.168 -32.680 1.00 27.49 ? 330 CYS A CB 1 ATOM 2650 S SG . CYS A 1 330 ? 1.077 -10.299 -34.476 1.00 30.36 ? 330 CYS A SG 1 ATOM 2651 N N . HIS A 1 331 ? -0.349 -11.257 -29.706 1.00 22.70 ? 331 HIS A N 1 ATOM 2652 C CA . HIS A 1 331 ? -0.005 -11.876 -28.435 1.00 21.02 ? 331 HIS A CA 1 ATOM 2653 C C . HIS A 1 331 ? -0.404 -13.334 -28.475 1.00 20.41 ? 331 HIS A C 1 ATOM 2654 O O . HIS A 1 331 ? -1.558 -13.659 -28.788 1.00 20.81 ? 331 HIS A O 1 ATOM 2655 C CB . HIS A 1 331 ? -0.686 -11.175 -27.270 1.00 20.35 ? 331 HIS A CB 1 ATOM 2656 C CG . HIS A 1 331 ? -0.108 -11.538 -25.939 1.00 20.25 ? 331 HIS A CG 1 ATOM 2657 N ND1 . HIS A 1 331 ? 0.781 -10.728 -25.269 1.00 20.26 ? 331 HIS A ND1 1 ATOM 2658 C CD2 . HIS A 1 331 ? -0.270 -12.638 -25.169 1.00 19.85 ? 331 HIS A CD2 1 ATOM 2659 C CE1 . HIS A 1 331 ? 1.142 -11.311 -24.141 1.00 19.79 ? 331 HIS A CE1 1 ATOM 2660 N NE2 . HIS A 1 331 ? 0.516 -12.469 -24.053 1.00 20.32 ? 331 HIS A NE2 1 ATOM 2661 N N . ALA A 1 332 ? 0.557 -14.209 -28.180 1.00 19.28 ? 332 ALA A N 1 ATOM 2662 C CA . ALA A 1 332 ? 0.404 -15.656 -28.372 1.00 19.29 ? 332 ALA A CA 1 ATOM 2663 C C . ALA A 1 332 ? -0.690 -16.241 -27.480 1.00 19.06 ? 332 ALA A C 1 ATOM 2664 O O . ALA A 1 332 ? -0.899 -15.785 -26.348 1.00 18.17 ? 332 ALA A O 1 ATOM 2665 C CB . ALA A 1 332 ? 1.728 -16.362 -28.122 1.00 18.95 ? 332 ALA A CB 1 ATOM 2666 N N . SER A 1 333 ? -1.396 -17.239 -28.002 1.00 19.01 ? 333 SER A N 1 ATOM 2667 C CA . SER A 1 333 ? -2.436 -17.923 -27.238 1.00 19.23 ? 333 SER A CA 1 ATOM 2668 C C . SER A 1 333 ? -2.701 -19.309 -27.765 1.00 19.17 ? 333 SER A C 1 ATOM 2669 O O . SER A 1 333 ? -2.386 -19.616 -28.921 1.00 19.45 ? 333 SER A O 1 ATOM 2670 C CB . SER A 1 333 ? -3.736 -17.111 -27.168 1.00 19.48 ? 333 SER A CB 1 ATOM 2671 O OG . SER A 1 333 ? -4.060 -16.544 -28.425 1.00 20.88 ? 333 SER A OG 1 ATOM 2672 N N . ALA A 1 334 ? -3.273 -20.135 -26.893 1.00 18.61 ? 334 ALA A N 1 ATOM 2673 C CA . ALA A 1 334 ? -3.568 -21.531 -27.171 1.00 18.42 ? 334 ALA A CA 1 ATOM 2674 C C . ALA A 1 334 ? -5.070 -21.747 -26.960 1.00 18.51 ? 334 ALA A C 1 ATOM 2675 O O . ALA A 1 334 ? -5.624 -21.338 -25.933 1.00 18.00 ? 334 ALA A O 1 ATOM 2676 C CB . ALA A 1 334 ? -2.769 -22.426 -26.239 1.00 18.19 ? 334 ALA A CB 1 ATOM 2677 N N . TRP A 1 335 ? -5.709 -22.398 -27.924 1.00 18.37 ? 335 TRP A N 1 ATOM 2678 C CA . TRP A 1 335 ? -7.178 -22.382 -28.039 1.00 19.20 ? 335 TRP A CA 1 ATOM 2679 C C . TRP A 1 335 ? -7.770 -23.772 -27.984 1.00 19.72 ? 335 TRP A C 1 ATOM 2680 O O . TRP A 1 335 ? -7.299 -24.689 -28.675 1.00 19.14 ? 335 TRP A O 1 ATOM 2681 C CB . TRP A 1 335 ? -7.609 -21.711 -29.355 1.00 19.32 ? 335 TRP A CB 1 ATOM 2682 C CG . TRP A 1 335 ? -7.200 -20.276 -29.475 1.00 19.55 ? 335 TRP A CG 1 ATOM 2683 C CD1 . TRP A 1 335 ? -5.919 -19.779 -29.465 1.00 19.53 ? 335 TRP A CD1 1 ATOM 2684 C CD2 . TRP A 1 335 ? -8.067 -19.149 -29.631 1.00 19.83 ? 335 TRP A CD2 1 ATOM 2685 N NE1 . TRP A 1 335 ? -5.944 -18.413 -29.605 1.00 19.77 ? 335 TRP A NE1 1 ATOM 2686 C CE2 . TRP A 1 335 ? -7.248 -18.000 -29.709 1.00 19.53 ? 335 TRP A CE2 1 ATOM 2687 C CE3 . TRP A 1 335 ? -9.464 -18.999 -29.726 1.00 20.15 ? 335 TRP A CE3 1 ATOM 2688 C CZ2 . TRP A 1 335 ? -7.772 -16.707 -29.865 1.00 19.52 ? 335 TRP A CZ2 1 ATOM 2689 C CZ3 . TRP A 1 335 ? -9.992 -17.709 -29.872 1.00 20.20 ? 335 TRP A CZ3 1 ATOM 2690 C CH2 . TRP A 1 335 ? -9.138 -16.580 -29.951 1.00 20.47 ? 335 TRP A CH2 1 ATOM 2691 N N . ASP A 1 336 ? -8.783 -23.919 -27.129 1.00 19.68 ? 336 ASP A N 1 ATOM 2692 C CA . ASP A 1 336 ? -9.586 -25.124 -27.047 1.00 21.25 ? 336 ASP A CA 1 ATOM 2693 C C . ASP A 1 336 ? -10.973 -24.698 -27.526 1.00 21.98 ? 336 ASP A C 1 ATOM 2694 O O . ASP A 1 336 ? -11.563 -23.767 -26.976 1.00 21.83 ? 336 ASP A O 1 ATOM 2695 C CB . ASP A 1 336 ? -9.634 -25.609 -25.597 1.00 21.55 ? 336 ASP A CB 1 ATOM 2696 C CG . ASP A 1 336 ? -10.290 -26.976 -25.434 1.00 22.26 ? 336 ASP A CG 1 ATOM 2697 O OD1 . ASP A 1 336 ? -11.051 -27.425 -26.327 1.00 23.68 ? 336 ASP A OD1 1 ATOM 2698 O OD2 . ASP A 1 336 ? -10.050 -27.609 -24.374 1.00 22.55 ? 336 ASP A OD2 1 ATOM 2699 N N . PHE A 1 337 ? -11.478 -25.368 -28.553 1.00 23.02 ? 337 PHE A N 1 ATOM 2700 C CA . PHE A 1 337 ? -12.765 -25.020 -29.152 1.00 24.20 ? 337 PHE A CA 1 ATOM 2701 C C . PHE A 1 337 ? -13.930 -25.748 -28.497 1.00 25.51 ? 337 PHE A C 1 ATOM 2702 O O . PHE A 1 337 ? -15.092 -25.526 -28.856 1.00 26.16 ? 337 PHE A O 1 ATOM 2703 C CB . PHE A 1 337 ? -12.724 -25.247 -30.670 1.00 24.36 ? 337 PHE A CB 1 ATOM 2704 C CG . PHE A 1 337 ? -11.981 -24.167 -31.403 1.00 24.00 ? 337 PHE A CG 1 ATOM 2705 C CD1 . PHE A 1 337 ? -10.593 -24.128 -31.389 1.00 23.86 ? 337 PHE A CD1 1 ATOM 2706 C CD2 . PHE A 1 337 ? -12.667 -23.171 -32.076 1.00 24.60 ? 337 PHE A CD2 1 ATOM 2707 C CE1 . PHE A 1 337 ? -9.907 -23.116 -32.036 1.00 24.10 ? 337 PHE A CE1 1 ATOM 2708 C CE2 . PHE A 1 337 ? -11.984 -22.153 -32.732 1.00 25.24 ? 337 PHE A CE2 1 ATOM 2709 C CZ . PHE A 1 337 ? -10.601 -22.130 -32.714 1.00 24.33 ? 337 PHE A CZ 1 ATOM 2710 N N . TYR A 1 338 ? -13.604 -26.614 -27.539 1.00 26.19 ? 338 TYR A N 1 ATOM 2711 C CA . TYR A 1 338 ? -14.591 -27.346 -26.751 1.00 27.79 ? 338 TYR A CA 1 ATOM 2712 C C . TYR A 1 338 ? -15.444 -28.322 -27.575 1.00 28.44 ? 338 TYR A C 1 ATOM 2713 O O . TYR A 1 338 ? -16.565 -28.645 -27.190 1.00 29.03 ? 338 TYR A O 1 ATOM 2714 C CB . TYR A 1 338 ? -15.440 -26.373 -25.905 1.00 28.22 ? 338 TYR A CB 1 ATOM 2715 C CG . TYR A 1 338 ? -14.627 -25.788 -24.778 1.00 29.47 ? 338 TYR A CG 1 ATOM 2716 C CD1 . TYR A 1 338 ? -14.445 -26.499 -23.604 1.00 30.45 ? 338 TYR A CD1 1 ATOM 2717 C CD2 . TYR A 1 338 ? -13.989 -24.554 -24.908 1.00 29.79 ? 338 TYR A CD2 1 ATOM 2718 C CE1 . TYR A 1 338 ? -13.679 -25.998 -22.571 1.00 31.70 ? 338 TYR A CE1 1 ATOM 2719 C CE2 . TYR A 1 338 ? -13.214 -24.038 -23.874 1.00 31.54 ? 338 TYR A CE2 1 ATOM 2720 C CZ . TYR A 1 338 ? -13.067 -24.778 -22.709 1.00 31.82 ? 338 TYR A CZ 1 ATOM 2721 O OH . TYR A 1 338 ? -12.318 -24.318 -21.666 1.00 32.37 ? 338 TYR A OH 1 ATOM 2722 N N . ASN A 1 339 ? -14.898 -28.791 -28.699 1.00 27.84 ? 339 ASN A N 1 ATOM 2723 C CA . ASN A 1 339 ? -15.549 -29.829 -29.508 1.00 27.79 ? 339 ASN A CA 1 ATOM 2724 C C . ASN A 1 339 ? -14.714 -31.110 -29.549 1.00 27.90 ? 339 ASN A C 1 ATOM 2725 O O . ASN A 1 339 ? -14.987 -32.012 -30.342 1.00 26.22 ? 339 ASN A O 1 ATOM 2726 C CB . ASN A 1 339 ? -15.845 -29.320 -30.928 1.00 27.72 ? 339 ASN A CB 1 ATOM 2727 C CG . ASN A 1 339 ? -14.579 -28.983 -31.716 1.00 27.76 ? 339 ASN A CG 1 ATOM 2728 O OD1 . ASN A 1 339 ? -13.447 -29.244 -31.277 1.00 26.12 ? 339 ASN A OD1 1 ATOM 2729 N ND2 . ASN A 1 339 ? -14.768 -28.402 -32.892 1.00 28.03 ? 339 ASN A ND2 1 ATOM 2730 N N . ARG A 1 340 ? -13.705 -31.178 -28.676 1.00 27.79 ? 340 ARG A N 1 ATOM 2731 C CA . ARG A 1 340 ? -12.771 -32.322 -28.577 1.00 29.84 ? 340 ARG A CA 1 ATOM 2732 C C . ARG A 1 340 ? -12.019 -32.661 -29.865 1.00 28.88 ? 340 ARG A C 1 ATOM 2733 O O . ARG A 1 340 ? -11.466 -33.751 -29.977 1.00 28.37 ? 340 ARG A O 1 ATOM 2734 C CB . ARG A 1 340 ? -13.459 -33.603 -28.082 1.00 31.95 ? 340 ARG A CB 1 ATOM 2735 C CG . ARG A 1 340 ? -14.368 -33.456 -26.881 1.00 35.24 ? 340 ARG A CG 1 ATOM 2736 C CD . ARG A 1 340 ? -15.206 -34.716 -26.776 1.00 37.95 ? 340 ARG A CD 1 ATOM 2737 N NE . ARG A 1 340 ? -16.514 -34.464 -26.180 1.00 42.10 ? 340 ARG A NE 1 ATOM 2738 C CZ . ARG A 1 340 ? -16.885 -34.893 -24.976 1.00 43.48 ? 340 ARG A CZ 1 ATOM 2739 N NH1 . ARG A 1 340 ? -16.040 -35.601 -24.225 1.00 42.68 ? 340 ARG A NH1 1 ATOM 2740 N NH2 . ARG A 1 340 ? -18.104 -34.616 -24.523 1.00 43.85 ? 340 ARG A NH2 1 ATOM 2741 N N . LYS A 1 341 ? -11.996 -31.731 -30.815 1.00 28.65 ? 341 LYS A N 1 ATOM 2742 C CA . LYS A 1 341 ? -11.381 -31.959 -32.118 1.00 30.05 ? 341 LYS A CA 1 ATOM 2743 C C . LYS A 1 341 ? -10.470 -30.804 -32.528 1.00 28.50 ? 341 LYS A C 1 ATOM 2744 O O . LYS A 1 341 ? -9.391 -31.018 -33.071 1.00 27.71 ? 341 LYS A O 1 ATOM 2745 C CB . LYS A 1 341 ? -12.458 -32.187 -33.192 1.00 33.14 ? 341 LYS A CB 1 ATOM 2746 C CG . LYS A 1 341 ? -13.113 -33.566 -33.126 1.00 37.70 ? 341 LYS A CG 1 ATOM 2747 C CD . LYS A 1 341 ? -14.330 -33.677 -34.038 1.00 41.40 ? 341 LYS A CD 1 ATOM 2748 C CE . LYS A 1 341 ? -15.376 -34.607 -33.429 1.00 43.65 ? 341 LYS A CE 1 ATOM 2749 N NZ . LYS A 1 341 ? -16.557 -34.784 -34.321 1.00 45.85 ? 341 LYS A NZ 1 ATOM 2750 N N . ASP A 1 342 ? -10.917 -29.579 -32.276 1.00 27.47 ? 342 ASP A N 1 ATOM 2751 C CA . ASP A 1 342 ? -10.175 -28.407 -32.706 1.00 25.95 ? 342 ASP A CA 1 ATOM 2752 C C . ASP A 1 342 ? -9.426 -27.751 -31.554 1.00 24.27 ? 342 ASP A C 1 ATOM 2753 O O . ASP A 1 342 ? -10.012 -27.352 -30.541 1.00 23.37 ? 342 ASP A O 1 ATOM 2754 C CB . ASP A 1 342 ? -11.079 -27.393 -33.403 1.00 26.61 ? 342 ASP A CB 1 ATOM 2755 C CG . ASP A 1 342 ? -11.552 -27.879 -34.752 1.00 28.31 ? 342 ASP A CG 1 ATOM 2756 O OD1 . ASP A 1 342 ? -10.733 -27.929 -35.692 1.00 27.45 ? 342 ASP A OD1 1 ATOM 2757 O OD2 . ASP A 1 342 ? -12.753 -28.208 -34.868 1.00 29.08 ? 342 ASP A OD2 1 ATOM 2758 N N . PHE A 1 343 ? -8.121 -27.649 -31.758 1.00 22.41 ? 343 PHE A N 1 ATOM 2759 C CA . PHE A 1 343 ? -7.192 -27.038 -30.828 1.00 21.03 ? 343 PHE A CA 1 ATOM 2760 C C . PHE A 1 343 ? -6.207 -26.293 -31.705 1.00 20.64 ? 343 PHE A C 1 ATOM 2761 O O . PHE A 1 343 ? -5.760 -26.836 -32.726 1.00 20.65 ? 343 PHE A O 1 ATOM 2762 C CB . PHE A 1 343 ? -6.459 -28.109 -30.028 1.00 20.84 ? 343 PHE A CB 1 ATOM 2763 C CG . PHE A 1 343 ? -7.365 -29.125 -29.392 1.00 20.80 ? 343 PHE A CG 1 ATOM 2764 C CD1 . PHE A 1 343 ? -7.912 -28.894 -28.136 1.00 20.22 ? 343 PHE A CD1 1 ATOM 2765 C CD2 . PHE A 1 343 ? -7.680 -30.311 -30.058 1.00 21.01 ? 343 PHE A CD2 1 ATOM 2766 C CE1 . PHE A 1 343 ? -8.744 -29.823 -27.544 1.00 20.13 ? 343 PHE A CE1 1 ATOM 2767 C CE2 . PHE A 1 343 ? -8.518 -31.249 -29.468 1.00 21.12 ? 343 PHE A CE2 1 ATOM 2768 C CZ . PHE A 1 343 ? -9.042 -31.003 -28.201 1.00 20.76 ? 343 PHE A CZ 1 ATOM 2769 N N . ARG A 1 344 ? -5.898 -25.047 -31.345 1.00 19.90 ? 344 ARG A N 1 ATOM 2770 C CA . ARG A 1 344 ? -5.031 -24.220 -32.178 1.00 19.42 ? 344 ARG A CA 1 ATOM 2771 C C . ARG A 1 344 ? -4.134 -23.315 -31.365 1.00 18.66 ? 344 ARG A C 1 ATOM 2772 O O . ARG A 1 344 ? -4.502 -22.875 -30.282 1.00 17.74 ? 344 ARG A O 1 ATOM 2773 C CB . ARG A 1 344 ? -5.864 -23.317 -33.086 1.00 19.87 ? 344 ARG A CB 1 ATOM 2774 C CG . ARG A 1 344 ? -6.840 -24.040 -33.980 1.00 21.58 ? 344 ARG A CG 1 ATOM 2775 C CD . ARG A 1 344 ? -7.671 -23.083 -34.813 1.00 22.96 ? 344 ARG A CD 1 ATOM 2776 N NE . ARG A 1 344 ? -8.602 -23.855 -35.622 1.00 23.46 ? 344 ARG A NE 1 ATOM 2777 C CZ . ARG A 1 344 ? -9.469 -23.352 -36.495 1.00 24.78 ? 344 ARG A CZ 1 ATOM 2778 N NH1 . ARG A 1 344 ? -9.564 -22.044 -36.708 1.00 24.71 ? 344 ARG A NH1 1 ATOM 2779 N NH2 . ARG A 1 344 ? -10.248 -24.178 -37.166 1.00 24.92 ? 344 ARG A NH2 1 ATOM 2780 N N . ILE A 1 345 ? -2.978 -22.992 -31.929 1.00 18.65 ? 345 ILE A N 1 ATOM 2781 C CA . ILE A 1 345 ? -2.172 -21.876 -31.433 1.00 18.44 ? 345 ILE A CA 1 ATOM 2782 C C . ILE A 1 345 ? -2.273 -20.709 -32.429 1.00 19.04 ? 345 ILE A C 1 ATOM 2783 O O . ILE A 1 345 ? -2.341 -20.909 -33.641 1.00 19.24 ? 345 ILE A O 1 ATOM 2784 C CB . ILE A 1 345 ? -0.703 -22.302 -31.167 1.00 17.94 ? 345 ILE A CB 1 ATOM 2785 C CG1 . ILE A 1 345 ? -0.624 -23.137 -29.877 1.00 17.36 ? 345 ILE A CG1 1 ATOM 2786 C CG2 . ILE A 1 345 ? 0.230 -21.093 -31.059 1.00 17.71 ? 345 ILE A CG2 1 ATOM 2787 C CD1 . ILE A 1 345 ? 0.652 -23.962 -29.715 1.00 16.74 ? 345 ILE A CD1 1 ATOM 2788 N N . LYS A 1 346 ? -2.320 -19.497 -31.896 1.00 19.29 ? 346 LYS A N 1 ATOM 2789 C CA . LYS A 1 346 ? -2.197 -18.286 -32.670 1.00 20.09 ? 346 LYS A CA 1 ATOM 2790 C C . LYS A 1 346 ? -0.971 -17.536 -32.130 1.00 20.62 ? 346 LYS A C 1 ATOM 2791 O O . LYS A 1 346 ? -1.017 -16.967 -31.031 1.00 20.49 ? 346 LYS A O 1 ATOM 2792 C CB . LYS A 1 346 ? -3.459 -17.439 -32.481 1.00 20.67 ? 346 LYS A CB 1 ATOM 2793 C CG . LYS A 1 346 ? -3.486 -16.129 -33.248 1.00 21.27 ? 346 LYS A CG 1 ATOM 2794 C CD . LYS A 1 346 ? -4.618 -15.228 -32.767 1.00 21.59 ? 346 LYS A CD 1 ATOM 2795 C CE . LYS A 1 346 ? -4.522 -14.868 -31.290 1.00 22.04 ? 346 LYS A CE 1 ATOM 2796 N NZ . LYS A 1 346 ? -3.177 -14.339 -30.918 1.00 22.20 ? 346 LYS A NZ 1 ATOM 2797 N N . GLN A 1 347 ? 0.120 -17.544 -32.891 1.00 20.68 ? 347 GLN A N 1 ATOM 2798 C CA . GLN A 1 347 ? 1.363 -16.901 -32.465 1.00 20.92 ? 347 GLN A CA 1 ATOM 2799 C C . GLN A 1 347 ? 2.054 -16.247 -33.665 1.00 21.27 ? 347 GLN A C 1 ATOM 2800 O O . GLN A 1 347 ? 2.240 -16.891 -34.704 1.00 22.18 ? 347 GLN A O 1 ATOM 2801 C CB . GLN A 1 347 ? 2.299 -17.923 -31.798 1.00 20.67 ? 347 GLN A CB 1 ATOM 2802 C CG . GLN A 1 347 ? 3.664 -17.390 -31.349 1.00 21.08 ? 347 GLN A CG 1 ATOM 2803 C CD . GLN A 1 347 ? 4.502 -18.431 -30.613 1.00 21.36 ? 347 GLN A CD 1 ATOM 2804 O OE1 . GLN A 1 347 ? 3.986 -19.464 -30.161 1.00 22.14 ? 347 GLN A OE1 1 ATOM 2805 N NE2 . GLN A 1 347 ? 5.793 -18.156 -30.467 1.00 20.83 ? 347 GLN A NE2 1 ATOM 2806 N N . CYS A 1 348 ? 2.452 -14.987 -33.506 1.00 20.90 ? 348 CYS A N 1 ATOM 2807 C CA . CYS A 1 348 ? 3.198 -14.275 -34.539 1.00 22.14 ? 348 CYS A CA 1 ATOM 2808 C C . CYS A 1 348 ? 4.689 -14.603 -34.382 1.00 21.82 ? 348 CYS A C 1 ATOM 2809 O O . CYS A 1 348 ? 5.499 -13.767 -33.957 1.00 21.62 ? 348 CYS A O 1 ATOM 2810 C CB . CYS A 1 348 ? 2.913 -12.764 -34.462 1.00 23.34 ? 348 CYS A CB 1 ATOM 2811 S SG . CYS A 1 348 ? 1.205 -12.324 -34.913 1.00 25.05 ? 348 CYS A SG 1 ATOM 2812 N N . THR A 1 349 ? 5.035 -15.838 -34.733 1.00 21.07 ? 349 THR A N 1 ATOM 2813 C CA . THR A 1 349 ? 6.319 -16.424 -34.356 1.00 21.46 ? 349 THR A CA 1 ATOM 2814 C C . THR A 1 349 ? 7.499 -15.720 -35.004 1.00 21.64 ? 349 THR A C 1 ATOM 2815 O O . THR A 1 349 ? 7.476 -15.440 -36.195 1.00 21.86 ? 349 THR A O 1 ATOM 2816 C CB . THR A 1 349 ? 6.350 -17.939 -34.658 1.00 21.33 ? 349 THR A CB 1 ATOM 2817 O OG1 . THR A 1 349 ? 5.137 -18.520 -34.184 1.00 21.23 ? 349 THR A OG1 1 ATOM 2818 C CG2 . THR A 1 349 ? 7.511 -18.624 -33.938 1.00 21.32 ? 349 THR A CG2 1 ATOM 2819 N N . ARG A 1 350 ? 8.506 -15.421 -34.189 1.00 21.55 ? 350 ARG A N 1 ATOM 2820 C CA . ARG A 1 350 ? 9.782 -14.871 -34.647 1.00 22.18 ? 350 ARG A CA 1 ATOM 2821 C C . ARG A 1 350 ? 10.900 -15.871 -34.354 1.00 21.74 ? 350 ARG A C 1 ATOM 2822 O O . ARG A 1 350 ? 10.804 -16.647 -33.414 1.00 20.74 ? 350 ARG A O 1 ATOM 2823 C CB . ARG A 1 350 ? 10.079 -13.524 -33.974 1.00 21.90 ? 350 ARG A CB 1 ATOM 2824 C CG . ARG A 1 350 ? 9.118 -12.411 -34.361 1.00 22.57 ? 350 ARG A CG 1 ATOM 2825 C CD . ARG A 1 350 ? 9.256 -11.193 -33.463 1.00 22.87 ? 350 ARG A CD 1 ATOM 2826 N NE . ARG A 1 350 ? 8.825 -11.464 -32.091 1.00 23.17 ? 350 ARG A NE 1 ATOM 2827 C CZ . ARG A 1 350 ? 9.651 -11.694 -31.076 1.00 23.75 ? 350 ARG A CZ 1 ATOM 2828 N NH1 . ARG A 1 350 ? 10.969 -11.691 -31.264 1.00 24.09 ? 350 ARG A NH1 1 ATOM 2829 N NH2 . ARG A 1 350 ? 9.162 -11.947 -29.868 1.00 24.18 ? 350 ARG A NH2 1 ATOM 2830 N N . VAL A 1 351 ? 11.948 -15.859 -35.175 1.00 21.85 ? 351 VAL A N 1 ATOM 2831 C CA . VAL A 1 351 ? 13.021 -16.855 -35.055 1.00 22.12 ? 351 VAL A CA 1 ATOM 2832 C C . VAL A 1 351 ? 14.035 -16.403 -34.007 1.00 21.82 ? 351 VAL A C 1 ATOM 2833 O O . VAL A 1 351 ? 15.009 -15.703 -34.315 1.00 21.75 ? 351 VAL A O 1 ATOM 2834 C CB . VAL A 1 351 ? 13.670 -17.180 -36.423 1.00 22.71 ? 351 VAL A CB 1 ATOM 2835 C CG1 . VAL A 1 351 ? 14.674 -18.317 -36.287 1.00 23.32 ? 351 VAL A CG1 1 ATOM 2836 C CG2 . VAL A 1 351 ? 12.602 -17.584 -37.428 1.00 23.25 ? 351 VAL A CG2 1 ATOM 2837 N N . THR A 1 352 ? 13.769 -16.777 -32.751 1.00 20.93 ? 352 THR A N 1 ATOM 2838 C CA . THR A 1 352 ? 14.667 -16.483 -31.643 1.00 20.41 ? 352 THR A CA 1 ATOM 2839 C C . THR A 1 352 ? 14.601 -17.622 -30.632 1.00 20.61 ? 352 THR A C 1 ATOM 2840 O O . THR A 1 352 ? 13.632 -18.400 -30.602 1.00 19.10 ? 352 THR A O 1 ATOM 2841 C CB . THR A 1 352 ? 14.317 -15.168 -30.881 1.00 20.67 ? 352 THR A CB 1 ATOM 2842 O OG1 . THR A 1 352 ? 13.116 -15.351 -30.125 1.00 19.35 ? 352 THR A OG1 1 ATOM 2843 C CG2 . THR A 1 352 ? 14.200 -13.943 -31.798 1.00 20.39 ? 352 THR A CG2 1 ATOM 2844 N N . MET A 1 353 ? 15.629 -17.713 -29.798 1.00 20.81 ? 353 MET A N 1 ATOM 2845 C CA . MET A 1 353 ? 15.646 -18.708 -28.724 1.00 21.24 ? 353 MET A CA 1 ATOM 2846 C C . MET A 1 353 ? 14.475 -18.531 -27.745 1.00 21.32 ? 353 MET A C 1 ATOM 2847 O O . MET A 1 353 ? 13.831 -19.510 -27.371 1.00 20.12 ? 353 MET A O 1 ATOM 2848 C CB . MET A 1 353 ? 16.981 -18.674 -27.976 1.00 21.97 ? 353 MET A CB 1 ATOM 2849 C CG . MET A 1 353 ? 17.157 -19.793 -26.959 1.00 23.12 ? 353 MET A CG 1 ATOM 2850 S SD . MET A 1 353 ? 18.798 -19.746 -26.209 1.00 25.68 ? 353 MET A SD 1 ATOM 2851 C CE . MET A 1 353 ? 18.828 -21.344 -25.389 1.00 25.38 ? 353 MET A CE 1 ATOM 2852 N N . ASP A 1 354 ? 14.186 -17.295 -27.338 1.00 21.87 ? 354 ASP A N 1 ATOM 2853 C CA . ASP A 1 354 ? 13.074 -17.078 -26.390 1.00 22.53 ? 354 ASP A CA 1 ATOM 2854 C C . ASP A 1 354 ? 11.719 -17.416 -27.039 1.00 21.55 ? 354 ASP A C 1 ATOM 2855 O O . ASP A 1 354 ? 10.805 -17.906 -26.377 1.00 21.27 ? 354 ASP A O 1 ATOM 2856 C CB . ASP A 1 354 ? 13.084 -15.646 -25.859 1.00 24.95 ? 354 ASP A CB 1 ATOM 2857 C CG . ASP A 1 354 ? 12.747 -14.634 -26.929 1.00 26.95 ? 354 ASP A CG 1 ATOM 2858 O OD1 . ASP A 1 354 ? 13.630 -14.301 -27.739 1.00 29.31 ? 354 ASP A OD1 1 ATOM 2859 O OD2 . ASP A 1 354 ? 11.585 -14.187 -26.974 1.00 29.10 ? 354 ASP A OD2 1 ATOM 2860 N N . GLN A 1 355 ? 11.603 -17.182 -28.345 1.00 20.41 ? 355 GLN A N 1 ATOM 2861 C CA . GLN A 1 355 ? 10.400 -17.598 -29.086 1.00 19.51 ? 355 GLN A CA 1 ATOM 2862 C C . GLN A 1 355 ? 10.270 -19.114 -29.199 1.00 19.50 ? 355 GLN A C 1 ATOM 2863 O O . GLN A 1 355 ? 9.155 -19.641 -29.193 1.00 18.33 ? 355 GLN A O 1 ATOM 2864 C CB . GLN A 1 355 ? 10.355 -16.960 -30.468 1.00 19.77 ? 355 GLN A CB 1 ATOM 2865 C CG . GLN A 1 355 ? 9.805 -15.538 -30.455 1.00 19.35 ? 355 GLN A CG 1 ATOM 2866 C CD . GLN A 1 355 ? 8.289 -15.508 -30.413 1.00 19.32 ? 355 GLN A CD 1 ATOM 2867 O OE1 . GLN A 1 355 ? 7.624 -15.815 -31.409 1.00 19.21 ? 355 GLN A OE1 1 ATOM 2868 N NE2 . GLN A 1 355 ? 7.729 -15.138 -29.253 1.00 18.65 ? 355 GLN A NE2 1 ATOM 2869 N N . LEU A 1 356 ? 11.403 -19.815 -29.263 1.00 18.85 ? 356 LEU A N 1 ATOM 2870 C CA . LEU A 1 356 ? 11.369 -21.272 -29.212 1.00 19.25 ? 356 LEU A CA 1 ATOM 2871 C C . LEU A 1 356 ? 10.790 -21.741 -27.863 1.00 18.84 ? 356 LEU A C 1 ATOM 2872 O O . LEU A 1 356 ? 9.969 -22.652 -27.824 1.00 18.87 ? 356 LEU A O 1 ATOM 2873 C CB . LEU A 1 356 ? 12.757 -21.870 -29.445 1.00 19.45 ? 356 LEU A CB 1 ATOM 2874 C CG . LEU A 1 356 ? 12.881 -23.396 -29.421 1.00 20.18 ? 356 LEU A CG 1 ATOM 2875 C CD1 . LEU A 1 356 ? 11.980 -24.090 -30.452 1.00 20.17 ? 356 LEU A CD1 1 ATOM 2876 C CD2 . LEU A 1 356 ? 14.340 -23.773 -29.652 1.00 20.52 ? 356 LEU A CD2 1 ATOM 2877 N N . SER A 1 357 ? 11.212 -21.104 -26.774 1.00 18.60 ? 357 SER A N 1 ATOM 2878 C CA . SER A 1 357 ? 10.645 -21.390 -25.453 1.00 18.48 ? 357 SER A CA 1 ATOM 2879 C C . SER A 1 357 ? 9.144 -21.031 -25.415 1.00 17.81 ? 357 SER A C 1 ATOM 2880 O O . SER A 1 357 ? 8.357 -21.746 -24.812 1.00 17.61 ? 357 SER A O 1 ATOM 2881 C CB . SER A 1 357 ? 11.406 -20.647 -24.340 1.00 18.86 ? 357 SER A CB 1 ATOM 2882 O OG . SER A 1 357 ? 12.704 -21.200 -24.111 1.00 20.64 ? 357 SER A OG 1 ATOM 2883 N N . THR A 1 358 ? 8.763 -19.933 -26.074 1.00 17.27 ? 358 THR A N 1 ATOM 2884 C CA . THR A 1 358 ? 7.363 -19.516 -26.158 1.00 17.21 ? 358 THR A CA 1 ATOM 2885 C C . THR A 1 358 ? 6.509 -20.553 -26.887 1.00 16.78 ? 358 THR A C 1 ATOM 2886 O O . THR A 1 358 ? 5.390 -20.819 -26.487 1.00 16.60 ? 358 THR A O 1 ATOM 2887 C CB . THR A 1 358 ? 7.204 -18.126 -26.817 1.00 17.71 ? 358 THR A CB 1 ATOM 2888 O OG1 . THR A 1 358 ? 7.899 -17.151 -26.019 1.00 17.83 ? 358 THR A OG1 1 ATOM 2889 C CG2 . THR A 1 358 ? 5.725 -17.721 -26.911 1.00 17.81 ? 358 THR A CG2 1 ATOM 2890 N N . VAL A 1 359 ? 7.049 -21.147 -27.944 1.00 16.18 ? 359 VAL A N 1 ATOM 2891 C CA . VAL A 1 359 ? 6.333 -22.210 -28.659 1.00 16.06 ? 359 VAL A CA 1 ATOM 2892 C C . VAL A 1 359 ? 6.033 -23.371 -27.712 1.00 15.79 ? 359 VAL A C 1 ATOM 2893 O O . VAL A 1 359 ? 4.905 -23.886 -27.690 1.00 15.38 ? 359 VAL A O 1 ATOM 2894 C CB . VAL A 1 359 ? 7.121 -22.649 -29.921 1.00 16.26 ? 359 VAL A CB 1 ATOM 2895 C CG1 . VAL A 1 359 ? 6.642 -23.976 -30.471 1.00 16.07 ? 359 VAL A CG1 1 ATOM 2896 C CG2 . VAL A 1 359 ? 7.067 -21.549 -30.974 1.00 16.55 ? 359 VAL A CG2 1 ATOM 2897 N N . HIS A 1 360 ? 7.031 -23.764 -26.916 1.00 15.66 ? 360 HIS A N 1 ATOM 2898 C CA . HIS A 1 360 ? 6.855 -24.814 -25.892 1.00 15.99 ? 360 HIS A CA 1 ATOM 2899 C C . HIS A 1 360 ? 5.769 -24.452 -24.878 1.00 15.89 ? 360 HIS A C 1 ATOM 2900 O O . HIS A 1 360 ? 4.915 -25.291 -24.550 1.00 16.27 ? 360 HIS A O 1 ATOM 2901 C CB . HIS A 1 360 ? 8.177 -25.110 -25.173 1.00 15.68 ? 360 HIS A CB 1 ATOM 2902 C CG . HIS A 1 360 ? 9.115 -25.917 -26.000 1.00 16.32 ? 360 HIS A CG 1 ATOM 2903 N ND1 . HIS A 1 360 ? 9.881 -25.358 -27.001 1.00 16.51 ? 360 HIS A ND1 1 ATOM 2904 C CD2 . HIS A 1 360 ? 9.361 -27.249 -26.029 1.00 16.36 ? 360 HIS A CD2 1 ATOM 2905 C CE1 . HIS A 1 360 ? 10.594 -26.307 -27.583 1.00 16.71 ? 360 HIS A CE1 1 ATOM 2906 N NE2 . HIS A 1 360 ? 10.300 -27.462 -27.008 1.00 17.19 ? 360 HIS A NE2 1 ATOM 2907 N N . HIS A 1 361 ? 5.791 -23.198 -24.431 1.00 15.73 ? 361 HIS A N 1 ATOM 2908 C CA . HIS A 1 361 ? 4.791 -22.681 -23.511 1.00 15.83 ? 361 HIS A CA 1 ATOM 2909 C C . HIS A 1 361 ? 3.371 -22.873 -24.059 1.00 16.12 ? 361 HIS A C 1 ATOM 2910 O O . HIS A 1 361 ? 2.526 -23.418 -23.366 1.00 16.15 ? 361 HIS A O 1 ATOM 2911 C CB . HIS A 1 361 ? 5.022 -21.205 -23.173 1.00 15.67 ? 361 HIS A CB 1 ATOM 2912 C CG . HIS A 1 361 ? 3.963 -20.636 -22.269 1.00 15.41 ? 361 HIS A CG 1 ATOM 2913 N ND1 . HIS A 1 361 ? 3.996 -20.801 -20.903 1.00 15.43 ? 361 HIS A ND1 1 ATOM 2914 C CD2 . HIS A 1 361 ? 2.823 -19.953 -22.536 1.00 15.53 ? 361 HIS A CD2 1 ATOM 2915 C CE1 . HIS A 1 361 ? 2.935 -20.233 -20.359 1.00 15.32 ? 361 HIS A CE1 1 ATOM 2916 N NE2 . HIS A 1 361 ? 2.207 -19.704 -21.328 1.00 15.49 ? 361 HIS A NE2 1 ATOM 2917 N N . GLU A 1 362 ? 3.119 -22.426 -25.288 1.00 16.11 ? 362 GLU A N 1 ATOM 2918 C CA . GLU A 1 362 ? 1.771 -22.526 -25.892 1.00 17.03 ? 362 GLU A CA 1 ATOM 2919 C C . GLU A 1 362 ? 1.393 -23.977 -26.163 1.00 16.59 ? 362 GLU A C 1 ATOM 2920 O O . GLU A 1 362 ? 0.235 -24.375 -26.001 1.00 17.39 ? 362 GLU A O 1 ATOM 2921 C CB . GLU A 1 362 ? 1.688 -21.724 -27.201 1.00 17.33 ? 362 GLU A CB 1 ATOM 2922 C CG . GLU A 1 362 ? 2.243 -20.309 -27.116 1.00 17.79 ? 362 GLU A CG 1 ATOM 2923 C CD . GLU A 1 362 ? 1.556 -19.450 -26.055 1.00 18.05 ? 362 GLU A CD 1 ATOM 2924 O OE1 . GLU A 1 362 ? 0.342 -19.625 -25.802 1.00 17.93 ? 362 GLU A OE1 1 ATOM 2925 O OE2 . GLU A 1 362 ? 2.239 -18.581 -25.475 1.00 17.84 ? 362 GLU A OE2 1 ATOM 2926 N N . MET A 1 363 ? 2.372 -24.760 -26.603 1.00 16.32 ? 363 MET A N 1 ATOM 2927 C CA . MET A 1 363 ? 2.150 -26.176 -26.846 1.00 16.61 ? 363 MET A CA 1 ATOM 2928 C C . MET A 1 363 ? 1.857 -26.942 -25.554 1.00 16.36 ? 363 MET A C 1 ATOM 2929 O O . MET A 1 363 ? 1.121 -27.937 -25.569 1.00 16.05 ? 363 MET A O 1 ATOM 2930 C CB . MET A 1 363 ? 3.294 -26.795 -27.662 1.00 16.92 ? 363 MET A CB 1 ATOM 2931 C CG . MET A 1 363 ? 2.920 -28.134 -28.279 1.00 17.60 ? 363 MET A CG 1 ATOM 2932 S SD . MET A 1 363 ? 4.108 -28.747 -29.500 1.00 19.02 ? 363 MET A SD 1 ATOM 2933 C CE . MET A 1 363 ? 3.825 -27.606 -30.842 1.00 18.37 ? 363 MET A CE 1 ATOM 2934 N N . GLY A 1 364 ? 2.385 -26.452 -24.430 1.00 16.50 ? 364 GLY A N 1 ATOM 2935 C CA . GLY A 1 364 ? 2.032 -26.997 -23.113 1.00 16.46 ? 364 GLY A CA 1 ATOM 2936 C C . GLY A 1 364 ? 0.533 -26.891 -22.828 1.00 16.31 ? 364 GLY A C 1 ATOM 2937 O O . GLY A 1 364 ? -0.075 -27.828 -22.324 1.00 16.21 ? 364 GLY A O 1 ATOM 2938 N N . HIS A 1 365 ? -0.048 -25.736 -23.151 1.00 16.66 ? 365 HIS A N 1 ATOM 2939 C CA . HIS A 1 365 ? -1.498 -25.491 -23.050 1.00 16.39 ? 365 HIS A CA 1 ATOM 2940 C C . HIS A 1 365 ? -2.305 -26.466 -23.929 1.00 16.38 ? 365 HIS A C 1 ATOM 2941 O O . HIS A 1 365 ? -3.256 -27.100 -23.460 1.00 16.01 ? 365 HIS A O 1 ATOM 2942 C CB . HIS A 1 365 ? -1.821 -24.057 -23.482 1.00 16.94 ? 365 HIS A CB 1 ATOM 2943 C CG . HIS A 1 365 ? -1.427 -22.994 -22.500 1.00 17.32 ? 365 HIS A CG 1 ATOM 2944 N ND1 . HIS A 1 365 ? -1.782 -23.035 -21.169 1.00 17.66 ? 365 HIS A ND1 1 ATOM 2945 C CD2 . HIS A 1 365 ? -0.736 -21.836 -22.669 1.00 17.84 ? 365 HIS A CD2 1 ATOM 2946 C CE1 . HIS A 1 365 ? -1.330 -21.949 -20.561 1.00 18.09 ? 365 HIS A CE1 1 ATOM 2947 N NE2 . HIS A 1 365 ? -0.697 -21.201 -21.452 1.00 17.36 ? 365 HIS A NE2 1 ATOM 2948 N N . ILE A 1 366 ? -1.914 -26.590 -25.196 1.00 15.93 ? 366 ILE A N 1 ATOM 2949 C CA . ILE A 1 366 ? -2.529 -27.555 -26.110 1.00 15.98 ? 366 ILE A CA 1 ATOM 2950 C C . ILE A 1 366 ? -2.478 -28.978 -25.575 1.00 16.10 ? 366 ILE A C 1 ATOM 2951 O O . ILE A 1 366 ? -3.477 -29.711 -25.642 1.00 15.84 ? 366 ILE A O 1 ATOM 2952 C CB . ILE A 1 366 ? -1.885 -27.537 -27.525 1.00 16.12 ? 366 ILE A CB 1 ATOM 2953 C CG1 . ILE A 1 366 ? -1.966 -26.140 -28.161 1.00 15.86 ? 366 ILE A CG1 1 ATOM 2954 C CG2 . ILE A 1 366 ? -2.541 -28.587 -28.432 1.00 16.32 ? 366 ILE A CG2 1 ATOM 2955 C CD1 . ILE A 1 366 ? -3.369 -25.614 -28.460 1.00 16.31 ? 366 ILE A CD1 1 ATOM 2956 N N . GLN A 1 367 ? -1.318 -29.384 -25.057 1.00 16.00 ? 367 GLN A N 1 ATOM 2957 C CA . GLN A 1 367 ? -1.156 -30.751 -24.585 1.00 16.50 ? 367 GLN A CA 1 ATOM 2958 C C . GLN A 1 367 ? -2.124 -31.025 -23.435 1.00 16.86 ? 367 GLN A C 1 ATOM 2959 O O . GLN A 1 367 ? -2.722 -32.101 -23.360 1.00 16.96 ? 367 GLN A O 1 ATOM 2960 C CB . GLN A 1 367 ? 0.288 -30.998 -24.132 1.00 16.75 ? 367 GLN A CB 1 ATOM 2961 C CG . GLN A 1 367 ? 0.588 -32.455 -23.792 1.00 17.32 ? 367 GLN A CG 1 ATOM 2962 C CD . GLN A 1 367 ? 0.447 -33.388 -24.974 1.00 18.34 ? 367 GLN A CD 1 ATOM 2963 O OE1 . GLN A 1 367 ? -0.124 -34.473 -24.842 1.00 19.59 ? 367 GLN A OE1 1 ATOM 2964 N NE2 . GLN A 1 367 ? 0.956 -32.976 -26.143 1.00 18.13 ? 367 GLN A NE2 1 ATOM 2965 N N . TYR A 1 368 ? -2.272 -30.043 -22.547 1.00 16.74 ? 368 TYR A N 1 ATOM 2966 C CA . TYR A 1 368 ? -3.250 -30.125 -21.470 1.00 17.48 ? 368 TYR A CA 1 ATOM 2967 C C . TYR A 1 368 ? -4.642 -30.390 -22.078 1.00 17.66 ? 368 TYR A C 1 ATOM 2968 O O . TYR A 1 368 ? -5.345 -31.317 -21.633 1.00 18.01 ? 368 TYR A O 1 ATOM 2969 C CB . TYR A 1 368 ? -3.256 -28.827 -20.656 1.00 17.25 ? 368 TYR A CB 1 ATOM 2970 C CG . TYR A 1 368 ? -3.273 -28.996 -19.151 1.00 17.95 ? 368 TYR A CG 1 ATOM 2971 C CD1 . TYR A 1 368 ? -4.020 -30.004 -18.529 1.00 18.19 ? 368 TYR A CD1 1 ATOM 2972 C CD2 . TYR A 1 368 ? -2.571 -28.116 -18.343 1.00 18.01 ? 368 TYR A CD2 1 ATOM 2973 C CE1 . TYR A 1 368 ? -4.024 -30.134 -17.137 1.00 18.35 ? 368 TYR A CE1 1 ATOM 2974 C CE2 . TYR A 1 368 ? -2.589 -28.231 -16.961 1.00 18.11 ? 368 TYR A CE2 1 ATOM 2975 C CZ . TYR A 1 368 ? -3.306 -29.238 -16.360 1.00 17.92 ? 368 TYR A CZ 1 ATOM 2976 O OH . TYR A 1 368 ? -3.295 -29.317 -14.972 1.00 17.79 ? 368 TYR A OH 1 ATOM 2977 N N . TYR A 1 369 ? -5.019 -29.604 -23.095 1.00 17.63 ? 369 TYR A N 1 ATOM 2978 C CA . TYR A 1 369 ? -6.335 -29.761 -23.761 1.00 18.46 ? 369 TYR A CA 1 ATOM 2979 C C . TYR A 1 369 ? -6.542 -31.145 -24.352 1.00 19.07 ? 369 TYR A C 1 ATOM 2980 O O . TYR A 1 369 ? -7.653 -31.696 -24.296 1.00 19.60 ? 369 TYR A O 1 ATOM 2981 C CB . TYR A 1 369 ? -6.538 -28.754 -24.910 1.00 18.35 ? 369 TYR A CB 1 ATOM 2982 C CG . TYR A 1 369 ? -6.409 -27.272 -24.616 1.00 18.27 ? 369 TYR A CG 1 ATOM 2983 C CD1 . TYR A 1 369 ? -6.728 -26.731 -23.360 1.00 17.72 ? 369 TYR A CD1 1 ATOM 2984 C CD2 . TYR A 1 369 ? -6.006 -26.393 -25.631 1.00 18.22 ? 369 TYR A CD2 1 ATOM 2985 C CE1 . TYR A 1 369 ? -6.623 -25.365 -23.134 1.00 17.62 ? 369 TYR A CE1 1 ATOM 2986 C CE2 . TYR A 1 369 ? -5.894 -25.029 -25.409 1.00 17.85 ? 369 TYR A CE2 1 ATOM 2987 C CZ . TYR A 1 369 ? -6.203 -24.516 -24.166 1.00 17.69 ? 369 TYR A CZ 1 ATOM 2988 O OH . TYR A 1 369 ? -6.088 -23.152 -23.970 1.00 17.67 ? 369 TYR A OH 1 ATOM 2989 N N . LEU A 1 370 ? -5.492 -31.681 -24.974 1.00 18.92 ? 370 LEU A N 1 ATOM 2990 C CA . LEU A 1 370 ? -5.557 -32.989 -25.613 1.00 19.26 ? 370 LEU A CA 1 ATOM 2991 C C . LEU A 1 370 ? -5.712 -34.096 -24.582 1.00 19.63 ? 370 LEU A C 1 ATOM 2992 O O . LEU A 1 370 ? -6.383 -35.093 -24.847 1.00 19.69 ? 370 LEU A O 1 ATOM 2993 C CB . LEU A 1 370 ? -4.319 -33.259 -26.482 1.00 19.23 ? 370 LEU A CB 1 ATOM 2994 C CG . LEU A 1 370 ? -4.036 -32.292 -27.636 1.00 19.20 ? 370 LEU A CG 1 ATOM 2995 C CD1 . LEU A 1 370 ? -2.674 -32.599 -28.250 1.00 18.88 ? 370 LEU A CD1 1 ATOM 2996 C CD2 . LEU A 1 370 ? -5.125 -32.411 -28.690 1.00 19.32 ? 370 LEU A CD2 1 ATOM 2997 N N . GLN A 1 371 ? -5.080 -33.919 -23.421 1.00 19.56 ? 371 GLN A N 1 ATOM 2998 C CA . GLN A 1 371 ? -5.111 -34.938 -22.375 1.00 20.40 ? 371 GLN A CA 1 ATOM 2999 C C . GLN A 1 371 ? -6.441 -34.991 -21.604 1.00 20.81 ? 371 GLN A C 1 ATOM 3000 O O . GLN A 1 371 ? -6.858 -36.057 -21.168 1.00 20.91 ? 371 GLN A O 1 ATOM 3001 C CB . GLN A 1 371 ? -3.938 -34.770 -21.413 1.00 20.50 ? 371 GLN A CB 1 ATOM 3002 C CG . GLN A 1 371 ? -2.568 -35.046 -22.043 1.00 20.86 ? 371 GLN A CG 1 ATOM 3003 C CD . GLN A 1 371 ? -2.417 -36.473 -22.555 1.00 21.92 ? 371 GLN A CD 1 ATOM 3004 O OE1 . GLN A 1 371 ? -1.698 -36.724 -23.519 1.00 23.35 ? 371 GLN A OE1 1 ATOM 3005 N NE2 . GLN A 1 371 ? -3.090 -37.415 -21.910 1.00 22.10 ? 371 GLN A NE2 1 ATOM 3006 N N . TYR A 1 372 ? -7.098 -33.851 -21.443 1.00 21.26 ? 372 TYR A N 1 ATOM 3007 C CA . TYR A 1 372 ? -8.375 -33.829 -20.723 1.00 22.72 ? 372 TYR A CA 1 ATOM 3008 C C . TYR A 1 372 ? -9.630 -33.645 -21.579 1.00 23.76 ? 372 TYR A C 1 ATOM 3009 O O . TYR A 1 372 ? -10.721 -33.408 -21.043 1.00 23.89 ? 372 TYR A O 1 ATOM 3010 C CB . TYR A 1 372 ? -8.346 -32.852 -19.532 1.00 21.47 ? 372 TYR A CB 1 ATOM 3011 C CG . TYR A 1 372 ? -8.180 -31.367 -19.788 1.00 20.91 ? 372 TYR A CG 1 ATOM 3012 C CD1 . TYR A 1 372 ? -8.800 -30.726 -20.857 1.00 20.77 ? 372 TYR A CD1 1 ATOM 3013 C CD2 . TYR A 1 372 ? -7.456 -30.581 -18.884 1.00 20.40 ? 372 TYR A CD2 1 ATOM 3014 C CE1 . TYR A 1 372 ? -8.674 -29.359 -21.047 1.00 20.80 ? 372 TYR A CE1 1 ATOM 3015 C CE2 . TYR A 1 372 ? -7.320 -29.212 -19.066 1.00 20.06 ? 372 TYR A CE2 1 ATOM 3016 C CZ . TYR A 1 372 ? -7.921 -28.605 -20.143 1.00 20.69 ? 372 TYR A CZ 1 ATOM 3017 O OH . TYR A 1 372 ? -7.798 -27.242 -20.311 1.00 20.53 ? 372 TYR A OH 1 ATOM 3018 N N . LYS A 1 373 ? -9.484 -33.790 -22.895 1.00 24.93 ? 373 LYS A N 1 ATOM 3019 C CA . LYS A 1 373 ? -10.585 -33.533 -23.829 1.00 26.67 ? 373 LYS A CA 1 ATOM 3020 C C . LYS A 1 373 ? -11.810 -34.443 -23.646 1.00 28.39 ? 373 LYS A C 1 ATOM 3021 O O . LYS A 1 373 ? -12.902 -34.096 -24.096 1.00 28.52 ? 373 LYS A O 1 ATOM 3022 C CB . LYS A 1 373 ? -10.119 -33.587 -25.290 1.00 26.29 ? 373 LYS A CB 1 ATOM 3023 C CG . LYS A 1 373 ? -9.761 -34.970 -25.809 1.00 27.12 ? 373 LYS A CG 1 ATOM 3024 C CD . LYS A 1 373 ? -9.326 -34.873 -27.267 1.00 28.05 ? 373 LYS A CD 1 ATOM 3025 C CE . LYS A 1 373 ? -8.499 -36.070 -27.703 1.00 28.81 ? 373 LYS A CE 1 ATOM 3026 N NZ . LYS A 1 373 ? -9.327 -37.299 -27.794 1.00 31.17 ? 373 LYS A NZ 1 ATOM 3027 N N . ASP A 1 374 ? -11.640 -35.592 -22.998 1.00 30.72 ? 374 ASP A N 1 ATOM 3028 C CA . ASP A 1 374 ? -12.779 -36.520 -22.843 1.00 34.43 ? 374 ASP A CA 1 ATOM 3029 C C . ASP A 1 374 ? -13.533 -36.396 -21.509 1.00 35.53 ? 374 ASP A C 1 ATOM 3030 O O . ASP A 1 374 ? -14.556 -37.067 -21.304 1.00 37.82 ? 374 ASP A O 1 ATOM 3031 C CB . ASP A 1 374 ? -12.358 -37.968 -23.127 1.00 35.45 ? 374 ASP A CB 1 ATOM 3032 C CG . ASP A 1 374 ? -11.996 -38.197 -24.597 1.00 37.54 ? 374 ASP A CG 1 ATOM 3033 O OD1 . ASP A 1 374 ? -12.692 -37.679 -25.502 1.00 37.39 ? 374 ASP A OD1 1 ATOM 3034 O OD2 . ASP A 1 374 ? -11.004 -38.903 -24.850 1.00 40.92 ? 374 ASP A OD2 1 ATOM 3035 N N . LEU A 1 375 ? -13.053 -35.520 -20.629 1.00 33.27 ? 375 LEU A N 1 ATOM 3036 C CA . LEU A 1 375 ? -13.722 -35.269 -19.354 1.00 34.07 ? 375 LEU A CA 1 ATOM 3037 C C . LEU A 1 375 ? -14.935 -34.370 -19.535 1.00 35.56 ? 375 LEU A C 1 ATOM 3038 O O . LEU A 1 375 ? -14.996 -33.600 -20.506 1.00 35.12 ? 375 LEU A O 1 ATOM 3039 C CB . LEU A 1 375 ? -12.760 -34.617 -18.355 1.00 32.91 ? 375 LEU A CB 1 ATOM 3040 C CG . LEU A 1 375 ? -11.442 -35.297 -17.965 1.00 32.89 ? 375 LEU A CG 1 ATOM 3041 C CD1 . LEU A 1 375 ? -10.710 -34.421 -16.953 1.00 31.84 ? 375 LEU A CD1 1 ATOM 3042 C CD2 . LEU A 1 375 ? -11.636 -36.713 -17.425 1.00 33.44 ? 375 LEU A CD2 1 ATOM 3043 N N . PRO A 1 376 ? -15.910 -34.455 -18.599 1.00 36.50 ? 376 PRO A N 1 ATOM 3044 C CA . PRO A 1 376 ? -17.002 -33.490 -18.564 1.00 36.95 ? 376 PRO A CA 1 ATOM 3045 C C . PRO A 1 376 ? -16.442 -32.086 -18.682 1.00 36.21 ? 376 PRO A C 1 ATOM 3046 O O . PRO A 1 376 ? -15.385 -31.799 -18.109 1.00 36.60 ? 376 PRO A O 1 ATOM 3047 C CB . PRO A 1 376 ? -17.603 -33.706 -17.174 1.00 37.33 ? 376 PRO A CB 1 ATOM 3048 C CG . PRO A 1 376 ? -17.395 -35.156 -16.918 1.00 37.67 ? 376 PRO A CG 1 ATOM 3049 C CD . PRO A 1 376 ? -16.075 -35.498 -17.565 1.00 37.54 ? 376 PRO A CD 1 ATOM 3050 N N . VAL A 1 377 ? -17.142 -31.227 -19.419 1.00 34.06 ? 377 VAL A N 1 ATOM 3051 C CA . VAL A 1 377 ? -16.618 -29.921 -19.826 1.00 33.46 ? 377 VAL A CA 1 ATOM 3052 C C . VAL A 1 377 ? -16.148 -29.023 -18.670 1.00 35.24 ? 377 VAL A C 1 ATOM 3053 O O . VAL A 1 377 ? -15.262 -28.182 -18.856 1.00 34.49 ? 377 VAL A O 1 ATOM 3054 C CB . VAL A 1 377 ? -17.625 -29.170 -20.725 1.00 34.14 ? 377 VAL A CB 1 ATOM 3055 C CG1 . VAL A 1 377 ? -18.560 -28.286 -19.908 1.00 34.84 ? 377 VAL A CG1 1 ATOM 3056 C CG2 . VAL A 1 377 ? -16.901 -28.332 -21.757 1.00 34.64 ? 377 VAL A CG2 1 ATOM 3057 N N . SER A 1 378 ? -16.747 -29.183 -17.490 1.00 34.72 ? 378 SER A N 1 ATOM 3058 C CA . SER A 1 378 ? -16.385 -28.340 -16.354 1.00 35.18 ? 378 SER A CA 1 ATOM 3059 C C . SER A 1 378 ? -15.071 -28.757 -15.702 1.00 33.90 ? 378 SER A C 1 ATOM 3060 O O . SER A 1 378 ? -14.508 -28.000 -14.922 1.00 36.02 ? 378 SER A O 1 ATOM 3061 C CB . SER A 1 378 ? -17.507 -28.285 -15.318 1.00 35.39 ? 378 SER A CB 1 ATOM 3062 O OG . SER A 1 378 ? -18.532 -27.422 -15.774 1.00 37.80 ? 378 SER A OG 1 ATOM 3063 N N . LEU A 1 379 ? -14.598 -29.959 -16.019 1.00 31.77 ? 379 LEU A N 1 ATOM 3064 C CA . LEU A 1 379 ? -13.317 -30.434 -15.526 1.00 30.69 ? 379 LEU A CA 1 ATOM 3065 C C . LEU A 1 379 ? -12.173 -30.199 -16.536 1.00 29.69 ? 379 LEU A C 1 ATOM 3066 O O . LEU A 1 379 ? -11.050 -30.659 -16.316 1.00 29.30 ? 379 LEU A O 1 ATOM 3067 C CB . LEU A 1 379 ? -13.399 -31.918 -15.132 1.00 31.04 ? 379 LEU A CB 1 ATOM 3068 C CG . LEU A 1 379 ? -14.563 -32.379 -14.232 1.00 31.26 ? 379 LEU A CG 1 ATOM 3069 C CD1 . LEU A 1 379 ? -14.497 -33.881 -14.027 1.00 31.57 ? 379 LEU A CD1 1 ATOM 3070 C CD2 . LEU A 1 379 ? -14.590 -31.659 -12.891 1.00 32.34 ? 379 LEU A CD2 1 ATOM 3071 N N . ARG A 1 380 ? -12.462 -29.482 -17.625 1.00 28.26 ? 380 ARG A N 1 ATOM 3072 C CA . ARG A 1 380 ? -11.457 -29.185 -18.663 1.00 27.91 ? 380 ARG A CA 1 ATOM 3073 C C . ARG A 1 380 ? -10.749 -27.881 -18.340 1.00 26.54 ? 380 ARG A C 1 ATOM 3074 O O . ARG A 1 380 ? -10.917 -26.870 -19.028 1.00 25.44 ? 380 ARG A O 1 ATOM 3075 C CB . ARG A 1 380 ? -12.072 -29.139 -20.072 1.00 27.15 ? 380 ARG A CB 1 ATOM 3076 C CG . ARG A 1 380 ? -12.477 -30.495 -20.617 1.00 27.65 ? 380 ARG A CG 1 ATOM 3077 C CD . ARG A 1 380 ? -12.973 -30.397 -22.059 1.00 27.44 ? 380 ARG A CD 1 ATOM 3078 N NE . ARG A 1 380 ? -14.074 -31.324 -22.248 1.00 27.71 ? 380 ARG A NE 1 ATOM 3079 C CZ . ARG A 1 380 ? -14.945 -31.313 -23.254 1.00 27.67 ? 380 ARG A CZ 1 ATOM 3080 N NH1 . ARG A 1 380 ? -14.871 -30.422 -24.231 1.00 27.54 ? 380 ARG A NH1 1 ATOM 3081 N NH2 . ARG A 1 380 ? -15.897 -32.224 -23.275 1.00 27.60 ? 380 ARG A NH2 1 ATOM 3082 N N . ARG A 1 381 ? -9.976 -27.909 -17.261 1.00 26.46 ? 381 ARG A N 1 ATOM 3083 C CA . ARG A 1 381 ? -9.189 -26.757 -16.837 1.00 26.57 ? 381 ARG A CA 1 ATOM 3084 C C . ARG A 1 381 ? -7.946 -27.317 -16.175 1.00 24.58 ? 381 ARG A C 1 ATOM 3085 O O . ARG A 1 381 ? -7.861 -28.516 -15.947 1.00 24.90 ? 381 ARG A O 1 ATOM 3086 C CB . ARG A 1 381 ? -9.953 -25.908 -15.820 1.00 29.75 ? 381 ARG A CB 1 ATOM 3087 C CG . ARG A 1 381 ? -11.444 -25.768 -16.070 1.00 34.41 ? 381 ARG A CG 1 ATOM 3088 C CD . ARG A 1 381 ? -12.209 -25.492 -14.786 1.00 37.98 ? 381 ARG A CD 1 ATOM 3089 N NE . ARG A 1 381 ? -13.638 -25.384 -15.073 1.00 42.45 ? 381 ARG A NE 1 ATOM 3090 C CZ . ARG A 1 381 ? -14.249 -24.242 -15.376 1.00 43.20 ? 381 ARG A CZ 1 ATOM 3091 N NH1 . ARG A 1 381 ? -13.554 -23.111 -15.416 1.00 44.17 ? 381 ARG A NH1 1 ATOM 3092 N NH2 . ARG A 1 381 ? -15.552 -24.231 -15.629 1.00 43.38 ? 381 ARG A NH2 1 ATOM 3093 N N . GLY A 1 382 ? -6.985 -26.460 -15.854 1.00 23.22 ? 382 GLY A N 1 ATOM 3094 C CA . GLY A 1 382 ? -5.833 -26.917 -15.083 1.00 21.77 ? 382 GLY A CA 1 ATOM 3095 C C . GLY A 1 382 ? -6.267 -27.186 -13.646 1.00 20.60 ? 382 GLY A C 1 ATOM 3096 O O . GLY A 1 382 ? -7.328 -26.723 -13.224 1.00 20.24 ? 382 GLY A O 1 ATOM 3097 N N . ALA A 1 383 ? -5.451 -27.920 -12.894 1.00 19.68 ? 383 ALA A N 1 ATOM 3098 C CA . ALA A 1 383 ? -5.705 -28.112 -11.455 1.00 19.59 ? 383 ALA A CA 1 ATOM 3099 C C . ALA A 1 383 ? -5.852 -26.734 -10.779 1.00 20.01 ? 383 ALA A C 1 ATOM 3100 O O . ALA A 1 383 ? -6.684 -26.532 -9.887 1.00 20.18 ? 383 ALA A O 1 ATOM 3101 C CB . ALA A 1 383 ? -4.593 -28.931 -10.825 1.00 19.44 ? 383 ALA A CB 1 ATOM 3102 N N . ASN A 1 384 ? -5.024 -25.792 -11.209 1.00 19.31 ? 384 ASN A N 1 ATOM 3103 C CA . ASN A 1 384 ? -5.289 -24.365 -11.043 1.00 19.40 ? 384 ASN A CA 1 ATOM 3104 C C . ASN A 1 384 ? -4.647 -23.676 -12.255 1.00 19.39 ? 384 ASN A C 1 ATOM 3105 O O . ASN A 1 384 ? -3.905 -24.336 -12.989 1.00 19.45 ? 384 ASN A O 1 ATOM 3106 C CB . ASN A 1 384 ? -4.816 -23.815 -9.668 1.00 19.20 ? 384 ASN A CB 1 ATOM 3107 C CG . ASN A 1 384 ? -3.295 -23.801 -9.493 1.00 19.13 ? 384 ASN A CG 1 ATOM 3108 O OD1 . ASN A 1 384 ? -2.538 -23.401 -10.382 1.00 19.04 ? 384 ASN A OD1 1 ATOM 3109 N ND2 . ASN A 1 384 ? -2.851 -24.187 -8.307 1.00 18.58 ? 384 ASN A ND2 1 ATOM 3110 N N . PRO A 1 385 ? -4.948 -22.384 -12.499 1.00 19.30 ? 385 PRO A N 1 ATOM 3111 C CA . PRO A 1 385 ? -4.436 -21.793 -13.741 1.00 19.17 ? 385 PRO A CA 1 ATOM 3112 C C . PRO A 1 385 ? -2.899 -21.792 -13.841 1.00 19.05 ? 385 PRO A C 1 ATOM 3113 O O . PRO A 1 385 ? -2.353 -21.842 -14.957 1.00 19.01 ? 385 PRO A O 1 ATOM 3114 C CB . PRO A 1 385 ? -5.002 -20.371 -13.708 1.00 19.14 ? 385 PRO A CB 1 ATOM 3115 C CG . PRO A 1 385 ? -6.254 -20.490 -12.887 1.00 19.45 ? 385 PRO A CG 1 ATOM 3116 C CD . PRO A 1 385 ? -5.889 -21.478 -11.810 1.00 19.58 ? 385 PRO A CD 1 ATOM 3117 N N . GLY A 1 386 ? -2.228 -21.737 -12.691 1.00 18.89 ? 386 GLY A N 1 ATOM 3118 C CA . GLY A 1 386 ? -0.765 -21.882 -12.603 1.00 18.44 ? 386 GLY A CA 1 ATOM 3119 C C . GLY A 1 386 ? -0.235 -23.203 -13.158 1.00 17.86 ? 386 GLY A C 1 ATOM 3120 O O . GLY A 1 386 ? 0.806 -23.229 -13.803 1.00 17.93 ? 386 GLY A O 1 ATOM 3121 N N . PHE A 1 387 ? -0.948 -24.299 -12.930 1.00 18.02 ? 387 PHE A N 1 ATOM 3122 C CA . PHE A 1 387 ? -0.590 -25.582 -13.544 1.00 18.29 ? 387 PHE A CA 1 ATOM 3123 C C . PHE A 1 387 ? -0.588 -25.480 -15.067 1.00 18.80 ? 387 PHE A C 1 ATOM 3124 O O . PHE A 1 387 ? 0.324 -25.989 -15.717 1.00 18.74 ? 387 PHE A O 1 ATOM 3125 C CB . PHE A 1 387 ? -1.582 -26.676 -13.169 1.00 18.29 ? 387 PHE A CB 1 ATOM 3126 C CG . PHE A 1 387 ? -1.302 -27.361 -11.863 1.00 17.90 ? 387 PHE A CG 1 ATOM 3127 C CD1 . PHE A 1 387 ? -1.333 -26.656 -10.657 1.00 18.18 ? 387 PHE A CD1 1 ATOM 3128 C CD2 . PHE A 1 387 ? -1.089 -28.735 -11.832 1.00 18.10 ? 387 PHE A CD2 1 ATOM 3129 C CE1 . PHE A 1 387 ? -1.104 -27.303 -9.453 1.00 18.16 ? 387 PHE A CE1 1 ATOM 3130 C CE2 . PHE A 1 387 ? -0.872 -29.394 -10.633 1.00 18.60 ? 387 PHE A CE2 1 ATOM 3131 C CZ . PHE A 1 387 ? -0.862 -28.670 -9.443 1.00 18.67 ? 387 PHE A CZ 1 ATOM 3132 N N . HIS A 1 388 ? -1.604 -24.822 -15.631 1.00 18.57 ? 388 HIS A N 1 ATOM 3133 C CA . HIS A 1 388 ? -1.725 -24.734 -17.086 1.00 18.96 ? 388 HIS A CA 1 ATOM 3134 C C . HIS A 1 388 ? -0.547 -23.984 -17.679 1.00 18.70 ? 388 HIS A C 1 ATOM 3135 O O . HIS A 1 388 ? -0.011 -24.372 -18.729 1.00 17.98 ? 388 HIS A O 1 ATOM 3136 C CB . HIS A 1 388 ? -3.026 -24.037 -17.481 1.00 19.00 ? 388 HIS A CB 1 ATOM 3137 C CG . HIS A 1 388 ? -3.794 -24.760 -18.538 1.00 19.35 ? 388 HIS A CG 1 ATOM 3138 N ND1 . HIS A 1 388 ? -3.374 -24.828 -19.849 1.00 18.89 ? 388 HIS A ND1 1 ATOM 3139 C CD2 . HIS A 1 388 ? -4.949 -25.465 -18.472 1.00 18.97 ? 388 HIS A CD2 1 ATOM 3140 C CE1 . HIS A 1 388 ? -4.255 -25.519 -20.552 1.00 19.10 ? 388 HIS A CE1 1 ATOM 3141 N NE2 . HIS A 1 388 ? -5.213 -25.928 -19.737 1.00 19.16 ? 388 HIS A NE2 1 ATOM 3142 N N . GLU A 1 389 ? -0.155 -22.917 -16.981 1.00 18.30 ? 389 GLU A N 1 ATOM 3143 C CA . GLU A 1 389 ? 0.949 -22.066 -17.373 1.00 18.70 ? 389 GLU A CA 1 ATOM 3144 C C . GLU A 1 389 ? 2.321 -22.744 -17.199 1.00 18.50 ? 389 GLU A C 1 ATOM 3145 O O . GLU A 1 389 ? 3.269 -22.371 -17.882 1.00 19.08 ? 389 GLU A O 1 ATOM 3146 C CB . GLU A 1 389 ? 0.937 -20.741 -16.576 1.00 18.79 ? 389 GLU A CB 1 ATOM 3147 C CG . GLU A 1 389 ? -0.274 -19.821 -16.799 1.00 18.90 ? 389 GLU A CG 1 ATOM 3148 C CD . GLU A 1 389 ? -0.506 -19.480 -18.269 1.00 19.35 ? 389 GLU A CD 1 ATOM 3149 O OE1 . GLU A 1 389 ? 0.467 -19.509 -19.039 1.00 20.00 ? 389 GLU A OE1 1 ATOM 3150 O OE2 . GLU A 1 389 ? -1.655 -19.196 -18.681 1.00 18.90 ? 389 GLU A OE2 1 ATOM 3151 N N . ALA A 1 390 ? 2.426 -23.720 -16.298 1.00 17.14 ? 390 ALA A N 1 ATOM 3152 C CA . ALA A 1 390 ? 3.712 -24.367 -16.016 1.00 17.04 ? 390 ALA A CA 1 ATOM 3153 C C . ALA A 1 390 ? 4.140 -25.447 -17.011 1.00 16.68 ? 390 ALA A C 1 ATOM 3154 O O . ALA A 1 390 ? 5.336 -25.687 -17.159 1.00 16.65 ? 390 ALA A O 1 ATOM 3155 C CB . ALA A 1 390 ? 3.723 -24.949 -14.609 1.00 16.94 ? 390 ALA A CB 1 ATOM 3156 N N . ILE A 1 391 ? 3.174 -26.101 -17.666 1.00 16.10 ? 391 ILE A N 1 ATOM 3157 C CA . ILE A 1 391 ? 3.466 -27.355 -18.401 1.00 15.97 ? 391 ILE A CA 1 ATOM 3158 C C . ILE A 1 391 ? 4.561 -27.158 -19.455 1.00 15.44 ? 391 ILE A C 1 ATOM 3159 O O . ILE A 1 391 ? 5.523 -27.913 -19.499 1.00 15.41 ? 391 ILE A O 1 ATOM 3160 C CB . ILE A 1 391 ? 2.202 -27.962 -19.078 1.00 16.23 ? 391 ILE A CB 1 ATOM 3161 C CG1 . ILE A 1 391 ? 1.074 -28.194 -18.054 1.00 16.71 ? 391 ILE A CG1 1 ATOM 3162 C CG2 . ILE A 1 391 ? 2.542 -29.247 -19.849 1.00 16.26 ? 391 ILE A CG2 1 ATOM 3163 C CD1 . ILE A 1 391 ? 1.495 -28.947 -16.800 1.00 17.15 ? 391 ILE A CD1 1 ATOM 3164 N N . GLY A 1 392 ? 4.388 -26.163 -20.313 1.00 15.32 ? 392 GLY A N 1 ATOM 3165 C CA . GLY A 1 392 ? 5.302 -25.959 -21.439 1.00 15.40 ? 392 GLY A CA 1 ATOM 3166 C C . GLY A 1 392 ? 6.651 -25.431 -20.968 1.00 15.65 ? 392 GLY A C 1 ATOM 3167 O O . GLY A 1 392 ? 7.675 -25.743 -21.559 1.00 15.82 ? 392 GLY A O 1 ATOM 3168 N N . ASP A 1 393 ? 6.637 -24.625 -19.906 1.00 16.16 ? 393 ASP A N 1 ATOM 3169 C CA . ASP A 1 393 ? 7.874 -24.068 -19.328 1.00 16.97 ? 393 ASP A CA 1 ATOM 3170 C C . ASP A 1 393 ? 8.749 -25.192 -18.761 1.00 16.75 ? 393 ASP A C 1 ATOM 3171 O O . ASP A 1 393 ? 9.966 -25.149 -18.880 1.00 16.77 ? 393 ASP A O 1 ATOM 3172 C CB . ASP A 1 393 ? 7.552 -23.039 -18.222 1.00 17.80 ? 393 ASP A CB 1 ATOM 3173 C CG . ASP A 1 393 ? 7.048 -21.689 -18.773 1.00 18.95 ? 393 ASP A CG 1 ATOM 3174 O OD1 . ASP A 1 393 ? 6.465 -21.652 -19.889 1.00 20.63 ? 393 ASP A OD1 1 ATOM 3175 O OD2 . ASP A 1 393 ? 7.217 -20.648 -18.069 1.00 19.18 ? 393 ASP A OD2 1 ATOM 3176 N N . VAL A 1 394 ? 8.120 -26.180 -18.130 1.00 17.09 ? 394 VAL A N 1 ATOM 3177 C CA . VAL A 1 394 ? 8.825 -27.354 -17.624 1.00 17.58 ? 394 VAL A CA 1 ATOM 3178 C C . VAL A 1 394 ? 9.653 -28.020 -18.739 1.00 17.64 ? 394 VAL A C 1 ATOM 3179 O O . VAL A 1 394 ? 10.825 -28.294 -18.555 1.00 17.02 ? 394 VAL A O 1 ATOM 3180 C CB . VAL A 1 394 ? 7.853 -28.390 -17.011 1.00 18.24 ? 394 VAL A CB 1 ATOM 3181 C CG1 . VAL A 1 394 ? 8.590 -29.676 -16.694 1.00 18.92 ? 394 VAL A CG1 1 ATOM 3182 C CG2 . VAL A 1 394 ? 7.253 -27.836 -15.727 1.00 18.68 ? 394 VAL A CG2 1 ATOM 3183 N N . LEU A 1 395 ? 9.034 -28.286 -19.883 1.00 17.68 ? 395 LEU A N 1 ATOM 3184 C CA . LEU A 1 395 ? 9.775 -28.886 -21.001 1.00 18.80 ? 395 LEU A CA 1 ATOM 3185 C C . LEU A 1 395 ? 10.872 -27.952 -21.517 1.00 18.49 ? 395 LEU A C 1 ATOM 3186 O O . LEU A 1 395 ? 11.980 -28.406 -21.843 1.00 18.04 ? 395 LEU A O 1 ATOM 3187 C CB . LEU A 1 395 ? 8.828 -29.324 -22.139 1.00 19.36 ? 395 LEU A CB 1 ATOM 3188 C CG . LEU A 1 395 ? 8.142 -30.690 -21.989 1.00 20.08 ? 395 LEU A CG 1 ATOM 3189 C CD1 . LEU A 1 395 ? 7.278 -30.776 -20.747 1.00 19.93 ? 395 LEU A CD1 1 ATOM 3190 C CD2 . LEU A 1 395 ? 7.310 -30.975 -23.234 1.00 20.82 ? 395 LEU A CD2 1 ATOM 3191 N N . ALA A 1 396 ? 10.573 -26.652 -21.564 1.00 18.57 ? 396 ALA A N 1 ATOM 3192 C CA . ALA A 1 396 ? 11.529 -25.666 -22.088 1.00 18.50 ? 396 ALA A CA 1 ATOM 3193 C C . ALA A 1 396 ? 12.783 -25.594 -21.214 1.00 18.83 ? 396 ALA A C 1 ATOM 3194 O O . ALA A 1 396 ? 13.866 -25.278 -21.712 1.00 19.14 ? 396 ALA A O 1 ATOM 3195 C CB . ALA A 1 396 ? 10.888 -24.293 -22.221 1.00 18.32 ? 396 ALA A CB 1 ATOM 3196 N N . LEU A 1 397 ? 12.642 -25.909 -19.925 1.00 18.19 ? 397 LEU A N 1 ATOM 3197 C CA . LEU A 1 397 ? 13.813 -25.982 -19.041 1.00 18.65 ? 397 LEU A CA 1 ATOM 3198 C C . LEU A 1 397 ? 14.802 -27.076 -19.487 1.00 19.08 ? 397 LEU A C 1 ATOM 3199 O O . LEU A 1 397 ? 16.015 -26.851 -19.506 1.00 20.17 ? 397 LEU A O 1 ATOM 3200 C CB . LEU A 1 397 ? 13.406 -26.174 -17.574 1.00 18.86 ? 397 LEU A CB 1 ATOM 3201 C CG . LEU A 1 397 ? 12.723 -25.021 -16.830 1.00 18.54 ? 397 LEU A CG 1 ATOM 3202 C CD1 . LEU A 1 397 ? 12.209 -25.519 -15.478 1.00 18.85 ? 397 LEU A CD1 1 ATOM 3203 C CD2 . LEU A 1 397 ? 13.650 -23.823 -16.648 1.00 19.12 ? 397 LEU A CD2 1 ATOM 3204 N N . SER A 1 398 ? 14.290 -28.248 -19.860 1.00 18.19 ? 398 SER A N 1 ATOM 3205 C CA . SER A 1 398 ? 15.119 -29.312 -20.432 1.00 17.96 ? 398 SER A CA 1 ATOM 3206 C C . SER A 1 398 ? 15.699 -28.910 -21.783 1.00 18.13 ? 398 SER A C 1 ATOM 3207 O O . SER A 1 398 ? 16.863 -29.205 -22.063 1.00 17.89 ? 398 SER A O 1 ATOM 3208 C CB . SER A 1 398 ? 14.311 -30.607 -20.618 1.00 18.37 ? 398 SER A CB 1 ATOM 3209 O OG . SER A 1 398 ? 14.163 -31.308 -19.391 1.00 18.01 ? 398 SER A OG 1 ATOM 3210 N N . VAL A 1 399 ? 14.885 -28.255 -22.614 1.00 17.75 ? 399 VAL A N 1 ATOM 3211 C CA . VAL A 1 399 ? 15.285 -27.879 -23.972 1.00 18.21 ? 399 VAL A CA 1 ATOM 3212 C C . VAL A 1 399 ? 16.460 -26.903 -23.983 1.00 18.57 ? 399 VAL A C 1 ATOM 3213 O O . VAL A 1 399 ? 17.346 -27.015 -24.813 1.00 19.17 ? 399 VAL A O 1 ATOM 3214 C CB . VAL A 1 399 ? 14.094 -27.307 -24.779 1.00 18.09 ? 399 VAL A CB 1 ATOM 3215 C CG1 . VAL A 1 399 ? 14.552 -26.681 -26.091 1.00 18.64 ? 399 VAL A CG1 1 ATOM 3216 C CG2 . VAL A 1 399 ? 13.095 -28.415 -25.051 1.00 18.33 ? 399 VAL A CG2 1 ATOM 3217 N N . SER A 1 400 ? 16.453 -25.944 -23.068 1.00 18.67 ? 400 SER A N 1 ATOM 3218 C CA . SER A 1 400 ? 17.499 -24.914 -23.055 1.00 19.30 ? 400 SER A CA 1 ATOM 3219 C C . SER A 1 400 ? 18.838 -25.359 -22.449 1.00 18.93 ? 400 SER A C 1 ATOM 3220 O O . SER A 1 400 ? 19.836 -24.626 -22.551 1.00 19.02 ? 400 SER A O 1 ATOM 3221 C CB . SER A 1 400 ? 17.007 -23.642 -22.380 1.00 19.60 ? 400 SER A CB 1 ATOM 3222 O OG . SER A 1 400 ? 16.666 -23.920 -21.047 1.00 21.41 ? 400 SER A OG 1 ATOM 3223 N N . THR A 1 401 ? 18.895 -26.536 -21.838 1.00 18.44 ? 401 THR A N 1 ATOM 3224 C CA . THR A 1 401 ? 20.190 -27.051 -21.382 1.00 18.67 ? 401 THR A CA 1 ATOM 3225 C C . THR A 1 401 ? 21.187 -27.156 -22.549 1.00 19.77 ? 401 THR A C 1 ATOM 3226 O O . THR A 1 401 ? 20.829 -27.583 -23.645 1.00 18.67 ? 401 THR A O 1 ATOM 3227 C CB . THR A 1 401 ? 20.105 -28.411 -20.648 1.00 18.53 ? 401 THR A CB 1 ATOM 3228 O OG1 . THR A 1 401 ? 19.559 -29.414 -21.521 1.00 18.14 ? 401 THR A OG1 1 ATOM 3229 C CG2 . THR A 1 401 ? 19.244 -28.298 -19.385 1.00 18.00 ? 401 THR A CG2 1 ATOM 3230 N N . PRO A 1 402 ? 22.448 -26.746 -22.317 1.00 20.74 ? 402 PRO A N 1 ATOM 3231 C CA . PRO A 1 402 ? 23.462 -26.883 -23.356 1.00 21.64 ? 402 PRO A CA 1 ATOM 3232 C C . PRO A 1 402 ? 23.531 -28.307 -23.935 1.00 22.59 ? 402 PRO A C 1 ATOM 3233 O O . PRO A 1 402 ? 23.695 -28.470 -25.147 1.00 22.58 ? 402 PRO A O 1 ATOM 3234 C CB . PRO A 1 402 ? 24.764 -26.502 -22.635 1.00 21.88 ? 402 PRO A CB 1 ATOM 3235 C CG . PRO A 1 402 ? 24.334 -25.587 -21.528 1.00 21.35 ? 402 PRO A CG 1 ATOM 3236 C CD . PRO A 1 402 ? 22.925 -25.970 -21.155 1.00 21.28 ? 402 PRO A CD 1 ATOM 3237 N N . GLU A 1 403 ? 23.365 -29.334 -23.104 1.00 23.89 ? 403 GLU A N 1 ATOM 3238 C CA . GLU A 1 403 ? 23.426 -30.691 -23.637 1.00 25.55 ? 403 GLU A CA 1 ATOM 3239 C C . GLU A 1 403 ? 22.266 -30.964 -24.600 1.00 24.61 ? 403 GLU A C 1 ATOM 3240 O O . GLU A 1 403 ? 22.474 -31.593 -25.651 1.00 24.09 ? 403 GLU A O 1 ATOM 3241 C CB . GLU A 1 403 ? 23.568 -31.774 -22.549 1.00 29.16 ? 403 GLU A CB 1 ATOM 3242 C CG . GLU A 1 403 ? 22.312 -32.103 -21.750 1.00 35.42 ? 403 GLU A CG 1 ATOM 3243 C CD . GLU A 1 403 ? 22.411 -33.450 -21.028 1.00 40.29 ? 403 GLU A CD 1 ATOM 3244 O OE1 . GLU A 1 403 ? 23.543 -33.951 -20.823 1.00 43.00 ? 403 GLU A OE1 1 ATOM 3245 O OE2 . GLU A 1 403 ? 21.357 -34.017 -20.664 1.00 41.57 ? 403 GLU A OE2 1 ATOM 3246 N N . HIS A 1 404 ? 21.065 -30.470 -24.280 1.00 21.78 ? 404 HIS A N 1 ATOM 3247 C CA . HIS A 1 404 ? 19.943 -30.679 -25.201 1.00 19.87 ? 404 HIS A CA 1 ATOM 3248 C C . HIS A 1 404 ? 20.080 -29.871 -26.500 1.00 19.53 ? 404 HIS A C 1 ATOM 3249 O O . HIS A 1 404 ? 19.806 -30.371 -27.587 1.00 18.53 ? 404 HIS A O 1 ATOM 3250 C CB . HIS A 1 404 ? 18.592 -30.389 -24.565 1.00 19.14 ? 404 HIS A CB 1 ATOM 3251 C CG . HIS A 1 404 ? 17.451 -30.812 -25.437 1.00 18.91 ? 404 HIS A CG 1 ATOM 3252 N ND1 . HIS A 1 404 ? 16.956 -32.103 -25.442 1.00 18.75 ? 404 HIS A ND1 1 ATOM 3253 C CD2 . HIS A 1 404 ? 16.765 -30.141 -26.394 1.00 18.93 ? 404 HIS A CD2 1 ATOM 3254 C CE1 . HIS A 1 404 ? 15.988 -32.195 -26.337 1.00 18.59 ? 404 HIS A CE1 1 ATOM 3255 N NE2 . HIS A 1 404 ? 15.850 -31.021 -26.927 1.00 19.10 ? 404 HIS A NE2 1 ATOM 3256 N N . LEU A 1 405 ? 20.475 -28.610 -26.374 1.00 18.90 ? 405 LEU A N 1 ATOM 3257 C CA . LEU A 1 405 ? 20.740 -27.775 -27.549 1.00 19.23 ? 405 LEU A CA 1 ATOM 3258 C C . LEU A 1 405 ? 21.775 -28.423 -28.473 1.00 20.46 ? 405 LEU A C 1 ATOM 3259 O O . LEU A 1 405 ? 21.696 -28.285 -29.692 1.00 20.53 ? 405 LEU A O 1 ATOM 3260 C CB . LEU A 1 405 ? 21.224 -26.396 -27.120 1.00 18.59 ? 405 LEU A CB 1 ATOM 3261 C CG . LEU A 1 405 ? 20.225 -25.626 -26.268 1.00 18.01 ? 405 LEU A CG 1 ATOM 3262 C CD1 . LEU A 1 405 ? 20.925 -24.467 -25.578 1.00 17.80 ? 405 LEU A CD1 1 ATOM 3263 C CD2 . LEU A 1 405 ? 19.044 -25.162 -27.118 1.00 17.75 ? 405 LEU A CD2 1 ATOM 3264 N N . HIS A 1 406 ? 22.737 -29.133 -27.890 1.00 22.00 ? 406 HIS A N 1 ATOM 3265 C CA . HIS A 1 406 ? 23.732 -29.851 -28.697 1.00 24.23 ? 406 HIS A CA 1 ATOM 3266 C C . HIS A 1 406 ? 23.080 -30.990 -29.479 1.00 24.74 ? 406 HIS A C 1 ATOM 3267 O O . HIS A 1 406 ? 23.387 -31.187 -30.653 1.00 25.03 ? 406 HIS A O 1 ATOM 3268 C CB . HIS A 1 406 ? 24.883 -30.383 -27.841 1.00 25.01 ? 406 HIS A CB 1 ATOM 3269 C CG . HIS A 1 406 ? 25.863 -31.220 -28.614 1.00 27.01 ? 406 HIS A CG 1 ATOM 3270 N ND1 . HIS A 1 406 ? 26.704 -30.687 -29.566 1.00 27.99 ? 406 HIS A ND1 1 ATOM 3271 C CD2 . HIS A 1 406 ? 26.115 -32.551 -28.594 1.00 27.55 ? 406 HIS A CD2 1 ATOM 3272 C CE1 . HIS A 1 406 ? 27.443 -31.651 -30.091 1.00 28.92 ? 406 HIS A CE1 1 ATOM 3273 N NE2 . HIS A 1 406 ? 27.106 -32.792 -29.517 1.00 28.51 ? 406 HIS A NE2 1 ATOM 3274 N N . LYS A 1 407 ? 22.174 -31.716 -28.820 1.00 25.16 ? 407 LYS A N 1 ATOM 3275 C CA . LYS A 1 407 ? 21.437 -32.831 -29.428 1.00 25.24 ? 407 LYS A CA 1 ATOM 3276 C C . LYS A 1 407 ? 20.573 -32.388 -30.600 1.00 24.63 ? 407 LYS A C 1 ATOM 3277 O O . LYS A 1 407 ? 20.399 -33.134 -31.557 1.00 24.90 ? 407 LYS A O 1 ATOM 3278 C CB . LYS A 1 407 ? 20.531 -33.531 -28.395 1.00 26.72 ? 407 LYS A CB 1 ATOM 3279 C CG . LYS A 1 407 ? 21.258 -34.296 -27.297 1.00 29.17 ? 407 LYS A CG 1 ATOM 3280 C CD . LYS A 1 407 ? 20.269 -34.828 -26.261 1.00 32.05 ? 407 LYS A CD 1 ATOM 3281 C CE . LYS A 1 407 ? 20.971 -35.433 -25.049 1.00 33.55 ? 407 LYS A CE 1 ATOM 3282 N NZ . LYS A 1 407 ? 20.031 -35.516 -23.885 1.00 35.44 ? 407 LYS A NZ 1 ATOM 3283 N N . ILE A 1 408 ? 20.019 -31.188 -30.527 1.00 22.55 ? 408 ILE A N 1 ATOM 3284 C CA . ILE A 1 408 ? 19.196 -30.679 -31.619 1.00 22.80 ? 408 ILE A CA 1 ATOM 3285 C C . ILE A 1 408 ? 19.969 -29.774 -32.590 1.00 22.83 ? 408 ILE A C 1 ATOM 3286 O O . ILE A 1 408 ? 19.373 -29.048 -33.380 1.00 22.84 ? 408 ILE A O 1 ATOM 3287 C CB . ILE A 1 408 ? 17.883 -30.038 -31.117 1.00 22.93 ? 408 ILE A CB 1 ATOM 3288 C CG1 . ILE A 1 408 ? 18.172 -28.807 -30.246 1.00 22.59 ? 408 ILE A CG1 1 ATOM 3289 C CG2 . ILE A 1 408 ? 17.063 -31.084 -30.367 1.00 22.84 ? 408 ILE A CG2 1 ATOM 3290 C CD1 . ILE A 1 408 ? 16.952 -27.973 -29.914 1.00 22.84 ? 408 ILE A CD1 1 ATOM 3291 N N . GLY A 1 409 ? 21.298 -29.822 -32.519 1.00 23.63 ? 409 GLY A N 1 ATOM 3292 C CA . GLY A 1 409 ? 22.154 -29.180 -33.527 1.00 24.26 ? 409 GLY A CA 1 ATOM 3293 C C . GLY A 1 409 ? 22.289 -27.671 -33.405 1.00 24.92 ? 409 GLY A C 1 ATOM 3294 O O . GLY A 1 409 ? 22.675 -26.997 -34.362 1.00 25.09 ? 409 GLY A O 1 ATOM 3295 N N . LEU A 1 410 ? 21.994 -27.131 -32.229 1.00 24.81 ? 410 LEU A N 1 ATOM 3296 C CA . LEU A 1 410 ? 22.078 -25.681 -32.033 1.00 25.02 ? 410 LEU A CA 1 ATOM 3297 C C . LEU A 1 410 ? 23.296 -25.213 -31.240 1.00 26.38 ? 410 LEU A C 1 ATOM 3298 O O . LEU A 1 410 ? 23.431 -24.018 -30.958 1.00 26.84 ? 410 LEU A O 1 ATOM 3299 C CB . LEU A 1 410 ? 20.808 -25.145 -31.379 1.00 23.69 ? 410 LEU A CB 1 ATOM 3300 C CG . LEU A 1 410 ? 19.532 -25.124 -32.224 1.00 22.89 ? 410 LEU A CG 1 ATOM 3301 C CD1 . LEU A 1 410 ? 18.360 -24.676 -31.359 1.00 22.07 ? 410 LEU A CD1 1 ATOM 3302 C CD2 . LEU A 1 410 ? 19.670 -24.238 -33.455 1.00 22.71 ? 410 LEU A CD2 1 ATOM 3303 N N . LEU A 1 411 ? 24.159 -26.144 -30.862 1.00 27.73 ? 411 LEU A N 1 ATOM 3304 C CA . LEU A 1 411 ? 25.318 -25.809 -30.045 1.00 30.90 ? 411 LEU A CA 1 ATOM 3305 C C . LEU A 1 411 ? 26.365 -26.901 -30.157 1.00 34.25 ? 411 LEU A C 1 ATOM 3306 O O . LEU A 1 411 ? 26.073 -28.057 -29.883 1.00 34.58 ? 411 LEU A O 1 ATOM 3307 C CB . LEU A 1 411 ? 24.881 -25.666 -28.576 1.00 29.56 ? 411 LEU A CB 1 ATOM 3308 C CG . LEU A 1 411 ? 25.754 -24.928 -27.565 1.00 29.57 ? 411 LEU A CG 1 ATOM 3309 C CD1 . LEU A 1 411 ? 25.928 -23.464 -27.967 1.00 28.51 ? 411 LEU A CD1 1 ATOM 3310 C CD2 . LEU A 1 411 ? 25.116 -25.048 -26.183 1.00 28.41 ? 411 LEU A CD2 1 ATOM 3311 N N . ASP A 1 412 ? 27.590 -26.547 -30.540 1.00 40.16 ? 412 ASP A N 1 ATOM 3312 C CA . ASP A 1 412 ? 28.698 -27.515 -30.462 1.00 45.86 ? 412 ASP A CA 1 ATOM 3313 C C . ASP A 1 412 ? 29.046 -27.878 -29.023 1.00 48.70 ? 412 ASP A C 1 ATOM 3314 O O . ASP A 1 412 ? 29.093 -27.014 -28.141 1.00 51.76 ? 412 ASP A O 1 ATOM 3315 C CB . ASP A 1 412 ? 29.914 -27.016 -31.220 1.00 50.27 ? 412 ASP A CB 1 ATOM 3316 C CG . ASP A 1 412 ? 29.670 -26.965 -32.707 1.00 52.92 ? 412 ASP A CG 1 ATOM 3317 O OD1 . ASP A 1 412 ? 29.346 -28.024 -33.293 1.00 55.09 ? 412 ASP A OD1 1 ATOM 3318 O OD2 . ASP A 1 412 ? 29.786 -25.866 -33.289 1.00 56.35 ? 412 ASP A OD2 1 ATOM 3319 N N . ARG A 1 413 ? 29.260 -29.172 -28.801 1.00 51.62 ? 413 ARG A N 1 ATOM 3320 C CA . ARG A 1 413 ? 29.386 -29.769 -27.465 1.00 54.21 ? 413 ARG A CA 1 ATOM 3321 C C . ARG A 1 413 ? 30.040 -28.826 -26.453 1.00 53.25 ? 413 ARG A C 1 ATOM 3322 O O . ARG A 1 413 ? 31.141 -28.332 -26.682 1.00 54.01 ? 413 ARG A O 1 ATOM 3323 C CB . ARG A 1 413 ? 30.176 -31.083 -27.559 1.00 58.29 ? 413 ARG A CB 1 ATOM 3324 C CG . ARG A 1 413 ? 29.592 -32.262 -26.793 1.00 63.12 ? 413 ARG A CG 1 ATOM 3325 C CD . ARG A 1 413 ? 29.822 -32.160 -25.291 1.00 68.24 ? 413 ARG A CD 1 ATOM 3326 N NE . ARG A 1 413 ? 30.088 -33.466 -24.678 1.00 74.09 ? 413 ARG A NE 1 ATOM 3327 C CZ . ARG A 1 413 ? 29.156 -34.353 -24.328 1.00 74.90 ? 413 ARG A CZ 1 ATOM 3328 N NH1 . ARG A 1 413 ? 27.865 -34.101 -24.525 1.00 74.63 ? 413 ARG A NH1 1 ATOM 3329 N NH2 . ARG A 1 413 ? 29.519 -35.505 -23.776 1.00 75.32 ? 413 ARG A NH2 1 ATOM 3330 N N . VAL A 1 414 ? 29.349 -28.584 -25.342 1.00 53.91 ? 414 VAL A N 1 ATOM 3331 C CA . VAL A 1 414 ? 29.827 -27.675 -24.292 1.00 53.91 ? 414 VAL A CA 1 ATOM 3332 C C . VAL A 1 414 ? 30.466 -28.484 -23.166 1.00 52.36 ? 414 VAL A C 1 ATOM 3333 O O . VAL A 1 414 ? 30.156 -29.660 -22.991 1.00 53.90 ? 414 VAL A O 1 ATOM 3334 C CB . VAL A 1 414 ? 28.680 -26.766 -23.764 1.00 56.30 ? 414 VAL A CB 1 ATOM 3335 C CG1 . VAL A 1 414 ? 29.104 -25.938 -22.553 1.00 58.43 ? 414 VAL A CG1 1 ATOM 3336 C CG2 . VAL A 1 414 ? 28.205 -25.837 -24.865 1.00 55.93 ? 414 VAL A CG2 1 ATOM 3337 N N . THR A 1 415 ? 31.366 -27.849 -22.421 1.00 50.46 ? 415 THR A N 1 ATOM 3338 C CA . THR A 1 415 ? 32.081 -28.500 -21.332 1.00 49.70 ? 415 THR A CA 1 ATOM 3339 C C . THR A 1 415 ? 31.265 -28.456 -20.038 1.00 45.92 ? 415 THR A C 1 ATOM 3340 O O . THR A 1 415 ? 30.420 -27.580 -19.873 1.00 48.26 ? 415 THR A O 1 ATOM 3341 C CB . THR A 1 415 ? 33.447 -27.818 -21.098 1.00 52.55 ? 415 THR A CB 1 ATOM 3342 O OG1 . THR A 1 415 ? 33.771 -26.995 -22.228 1.00 53.54 ? 415 THR A OG1 1 ATOM 3343 C CG2 . THR A 1 415 ? 34.553 -28.855 -20.848 1.00 50.46 ? 415 THR A CG2 1 ATOM 3344 N N . ASN A 1 416 ? 31.532 -29.413 -19.146 1.00 42.53 ? 416 ASN A N 1 ATOM 3345 C CA . ASN A 1 416 ? 30.906 -29.559 -17.822 1.00 41.68 ? 416 ASN A CA 1 ATOM 3346 C C . ASN A 1 416 ? 31.707 -28.709 -16.826 1.00 38.87 ? 416 ASN A C 1 ATOM 3347 O O . ASN A 1 416 ? 32.091 -29.214 -15.770 1.00 39.99 ? 416 ASN A O 1 ATOM 3348 C CB . ASN A 1 416 ? 31.042 -31.038 -17.394 1.00 44.50 ? 416 ASN A CB 1 ATOM 3349 C CG . ASN A 1 416 ? 29.912 -31.565 -16.485 1.00 45.80 ? 416 ASN A CG 1 ATOM 3350 O OD1 . ASN A 1 416 ? 29.086 -32.309 -16.969 1.00 51.80 ? 416 ASN A OD1 1 ATOM 3351 N ND2 . ASN A 1 416 ? 29.919 -31.263 -15.264 1.00 45.92 ? 416 ASN A ND2 1 ATOM 3352 N N . ASP A 1 417 ? 31.998 -27.450 -17.142 1.00 34.64 ? 417 ASP A N 1 ATOM 3353 C CA . ASP A 1 417 ? 32.864 -26.667 -16.256 1.00 31.00 ? 417 ASP A CA 1 ATOM 3354 C C . ASP A 1 417 ? 32.093 -25.610 -15.473 1.00 28.62 ? 417 ASP A C 1 ATOM 3355 O O . ASP A 1 417 ? 30.981 -25.249 -15.857 1.00 25.66 ? 417 ASP A O 1 ATOM 3356 C CB . ASP A 1 417 ? 34.061 -26.075 -17.011 1.00 32.02 ? 417 ASP A CB 1 ATOM 3357 C CG . ASP A 1 417 ? 33.654 -25.073 -18.062 1.00 33.35 ? 417 ASP A CG 1 ATOM 3358 O OD1 . ASP A 1 417 ? 33.272 -23.946 -17.702 1.00 32.02 ? 417 ASP A OD1 1 ATOM 3359 O OD2 . ASP A 1 417 ? 33.747 -25.404 -19.258 1.00 35.25 ? 417 ASP A OD2 1 ATOM 3360 N N . THR A 1 418 ? 32.691 -25.111 -14.388 1.00 26.21 ? 418 THR A N 1 ATOM 3361 C CA . THR A 1 418 ? 31.977 -24.215 -13.479 1.00 25.36 ? 418 THR A CA 1 ATOM 3362 C C . THR A 1 418 ? 31.675 -22.864 -14.137 1.00 24.92 ? 418 THR A C 1 ATOM 3363 O O . THR A 1 418 ? 30.661 -22.241 -13.827 1.00 23.47 ? 418 THR A O 1 ATOM 3364 C CB . THR A 1 418 ? 32.725 -24.001 -12.153 1.00 26.05 ? 418 THR A CB 1 ATOM 3365 O OG1 . THR A 1 418 ? 34.046 -23.546 -12.434 1.00 25.93 ? 418 THR A OG1 1 ATOM 3366 C CG2 . THR A 1 418 ? 32.806 -25.297 -11.357 1.00 26.99 ? 418 THR A CG2 1 ATOM 3367 N N . GLU A 1 419 ? 32.548 -22.417 -15.040 1.00 24.25 ? 419 GLU A N 1 ATOM 3368 C CA . GLU A 1 419 ? 32.287 -21.181 -15.793 1.00 24.12 ? 419 GLU A CA 1 ATOM 3369 C C . GLU A 1 419 ? 31.047 -21.290 -16.685 1.00 22.80 ? 419 GLU A C 1 ATOM 3370 O O . GLU A 1 419 ? 30.229 -20.375 -16.720 1.00 21.73 ? 419 GLU A O 1 ATOM 3371 C CB . GLU A 1 419 ? 33.492 -20.772 -16.644 1.00 25.99 ? 419 GLU A CB 1 ATOM 3372 C CG . GLU A 1 419 ? 34.689 -20.298 -15.827 1.00 28.93 ? 419 GLU A CG 1 ATOM 3373 C CD . GLU A 1 419 ? 35.636 -21.427 -15.438 1.00 31.91 ? 419 GLU A CD 1 ATOM 3374 O OE1 . GLU A 1 419 ? 35.390 -22.617 -15.768 1.00 32.15 ? 419 GLU A OE1 1 ATOM 3375 O OE2 . GLU A 1 419 ? 36.668 -21.116 -14.801 1.00 37.66 ? 419 GLU A OE2 1 ATOM 3376 N N . SER A 1 420 ? 30.930 -22.407 -17.399 1.00 21.67 ? 420 SER A N 1 ATOM 3377 C CA . SER A 1 420 ? 29.799 -22.647 -18.289 1.00 22.10 ? 420 SER A CA 1 ATOM 3378 C C . SER A 1 420 ? 28.502 -22.757 -17.520 1.00 21.71 ? 420 SER A C 1 ATOM 3379 O O . SER A 1 420 ? 27.474 -22.273 -17.994 1.00 21.36 ? 420 SER A O 1 ATOM 3380 C CB . SER A 1 420 ? 30.031 -23.888 -19.146 1.00 21.72 ? 420 SER A CB 1 ATOM 3381 O OG . SER A 1 420 ? 30.997 -23.573 -20.134 1.00 23.62 ? 420 SER A OG 1 ATOM 3382 N N . ASP A 1 421 ? 28.564 -23.389 -16.344 1.00 22.03 ? 421 ASP A N 1 ATOM 3383 C CA . ASP A 1 421 ? 27.411 -23.498 -15.427 1.00 22.80 ? 421 ASP A CA 1 ATOM 3384 C C . ASP A 1 421 ? 26.918 -22.141 -14.966 1.00 21.52 ? 421 ASP A C 1 ATOM 3385 O O . ASP A 1 421 ? 25.715 -21.883 -14.981 1.00 20.51 ? 421 ASP A O 1 ATOM 3386 C CB . ASP A 1 421 ? 27.744 -24.340 -14.198 1.00 24.89 ? 421 ASP A CB 1 ATOM 3387 C CG . ASP A 1 421 ? 27.233 -25.764 -14.301 1.00 28.66 ? 421 ASP A CG 1 ATOM 3388 O OD1 . ASP A 1 421 ? 26.119 -25.998 -14.848 1.00 29.63 ? 421 ASP A OD1 1 ATOM 3389 O OD2 . ASP A 1 421 ? 27.948 -26.660 -13.809 1.00 30.86 ? 421 ASP A OD2 1 ATOM 3390 N N . ILE A 1 422 ? 27.852 -21.278 -14.562 1.00 20.54 ? 422 ILE A N 1 ATOM 3391 C CA . ILE A 1 422 ? 27.503 -19.910 -14.166 1.00 20.04 ? 422 ILE A CA 1 ATOM 3392 C C . ILE A 1 422 ? 26.891 -19.131 -15.342 1.00 19.00 ? 422 ILE A C 1 ATOM 3393 O O . ILE A 1 422 ? 25.919 -18.406 -15.158 1.00 18.77 ? 422 ILE A O 1 ATOM 3394 C CB . ILE A 1 422 ? 28.716 -19.164 -13.547 1.00 20.49 ? 422 ILE A CB 1 ATOM 3395 C CG1 . ILE A 1 422 ? 29.141 -19.829 -12.230 1.00 20.85 ? 422 ILE A CG1 1 ATOM 3396 C CG2 . ILE A 1 422 ? 28.416 -17.680 -13.351 1.00 20.83 ? 422 ILE A CG2 1 ATOM 3397 C CD1 . ILE A 1 422 ? 28.118 -19.779 -11.111 1.00 21.42 ? 422 ILE A CD1 1 ATOM 3398 N N . ASN A 1 423 ? 27.444 -19.277 -16.546 1.00 18.25 ? 423 ASN A N 1 ATOM 3399 C CA . ASN A 1 423 ? 26.861 -18.598 -17.706 1.00 17.64 ? 423 ASN A CA 1 ATOM 3400 C C . ASN A 1 423 ? 25.424 -19.066 -17.916 1.00 17.16 ? 423 ASN A C 1 ATOM 3401 O O . ASN A 1 423 ? 24.519 -18.257 -18.138 1.00 16.35 ? 423 ASN A O 1 ATOM 3402 C CB . ASN A 1 423 ? 27.657 -18.860 -18.995 1.00 17.91 ? 423 ASN A CB 1 ATOM 3403 C CG . ASN A 1 423 ? 28.913 -17.996 -19.120 1.00 18.66 ? 423 ASN A CG 1 ATOM 3404 O OD1 . ASN A 1 423 ? 29.145 -17.077 -18.339 1.00 18.79 ? 423 ASN A OD1 1 ATOM 3405 N ND2 . ASN A 1 423 ? 29.723 -18.298 -20.121 1.00 18.72 ? 423 ASN A ND2 1 ATOM 3406 N N . TYR A 1 424 ? 25.225 -20.376 -17.854 1.00 16.80 ? 424 TYR A N 1 ATOM 3407 C CA . TYR A 1 424 ? 23.897 -20.931 -18.093 1.00 16.99 ? 424 TYR A CA 1 ATOM 3408 C C . TYR A 1 424 ? 22.899 -20.479 -17.030 1.00 16.90 ? 424 TYR A C 1 ATOM 3409 O O . TYR A 1 424 ? 21.808 -20.002 -17.351 1.00 16.12 ? 424 TYR A O 1 ATOM 3410 C CB . TYR A 1 424 ? 23.935 -22.458 -18.155 1.00 17.52 ? 424 TYR A CB 1 ATOM 3411 C CG . TYR A 1 424 ? 22.560 -23.048 -18.373 1.00 17.67 ? 424 TYR A CG 1 ATOM 3412 C CD1 . TYR A 1 424 ? 21.874 -22.844 -19.569 1.00 18.17 ? 424 TYR A CD1 1 ATOM 3413 C CD2 . TYR A 1 424 ? 21.937 -23.786 -17.374 1.00 18.43 ? 424 TYR A CD2 1 ATOM 3414 C CE1 . TYR A 1 424 ? 20.598 -23.364 -19.763 1.00 17.85 ? 424 TYR A CE1 1 ATOM 3415 C CE2 . TYR A 1 424 ? 20.664 -24.313 -17.556 1.00 18.34 ? 424 TYR A CE2 1 ATOM 3416 C CZ . TYR A 1 424 ? 20.007 -24.114 -18.754 1.00 18.43 ? 424 TYR A CZ 1 ATOM 3417 O OH . TYR A 1 424 ? 18.749 -24.668 -18.922 1.00 18.44 ? 424 TYR A OH 1 ATOM 3418 N N . LEU A 1 425 ? 23.267 -20.659 -15.768 1.00 17.11 ? 425 LEU A N 1 ATOM 3419 C CA . LEU A 1 425 ? 22.405 -20.243 -14.669 1.00 17.63 ? 425 LEU A CA 1 ATOM 3420 C C . LEU A 1 425 ? 22.144 -18.725 -14.659 1.00 18.30 ? 425 LEU A C 1 ATOM 3421 O O . LEU A 1 425 ? 21.043 -18.289 -14.339 1.00 18.43 ? 425 LEU A O 1 ATOM 3422 C CB . LEU A 1 425 ? 22.965 -20.735 -13.331 1.00 18.06 ? 425 LEU A CB 1 ATOM 3423 C CG . LEU A 1 425 ? 22.877 -22.238 -13.036 1.00 18.05 ? 425 LEU A CG 1 ATOM 3424 C CD1 . LEU A 1 425 ? 23.568 -22.502 -11.720 1.00 19.08 ? 425 LEU A CD1 1 ATOM 3425 C CD2 . LEU A 1 425 ? 21.426 -22.729 -12.986 1.00 17.97 ? 425 LEU A CD2 1 ATOM 3426 N N . LEU A 1 426 ? 23.138 -17.922 -15.040 1.00 18.55 ? 426 LEU A N 1 ATOM 3427 C CA . LEU A 1 426 ? 22.892 -16.500 -15.179 1.00 18.96 ? 426 LEU A CA 1 ATOM 3428 C C . LEU A 1 426 ? 21.886 -16.211 -16.294 1.00 18.42 ? 426 LEU A C 1 ATOM 3429 O O . LEU A 1 426 ? 20.944 -15.435 -16.111 1.00 17.95 ? 426 LEU A O 1 ATOM 3430 C CB . LEU A 1 426 ? 24.182 -15.711 -15.392 1.00 20.29 ? 426 LEU A CB 1 ATOM 3431 C CG . LEU A 1 426 ? 23.858 -14.217 -15.421 1.00 22.19 ? 426 LEU A CG 1 ATOM 3432 C CD1 . LEU A 1 426 ? 23.357 -13.690 -14.070 1.00 21.53 ? 426 LEU A CD1 1 ATOM 3433 C CD2 . LEU A 1 426 ? 25.024 -13.409 -15.928 1.00 23.84 ? 426 LEU A CD2 1 ATOM 3434 N N . LYS A 1 427 ? 22.061 -16.859 -17.439 1.00 18.01 ? 427 LYS A N 1 ATOM 3435 C CA . LYS A 1 427 ? 21.088 -16.732 -18.522 1.00 17.60 ? 427 LYS A CA 1 ATOM 3436 C C . LYS A 1 427 ? 19.669 -17.113 -18.068 1.00 16.77 ? 427 LYS A C 1 ATOM 3437 O O . LYS A 1 427 ? 18.699 -16.402 -18.370 1.00 16.16 ? 427 LYS A O 1 ATOM 3438 C CB . LYS A 1 427 ? 21.498 -17.578 -19.723 1.00 18.18 ? 427 LYS A CB 1 ATOM 3439 C CG . LYS A 1 427 ? 20.675 -17.255 -20.956 1.00 19.21 ? 427 LYS A CG 1 ATOM 3440 C CD . LYS A 1 427 ? 21.142 -18.040 -22.157 1.00 20.78 ? 427 LYS A CD 1 ATOM 3441 C CE . LYS A 1 427 ? 20.224 -17.756 -23.328 1.00 22.17 ? 427 LYS A CE 1 ATOM 3442 N NZ . LYS A 1 427 ? 18.892 -18.398 -23.068 1.00 23.10 ? 427 LYS A NZ 1 ATOM 3443 N N . MET A 1 428 ? 19.557 -18.229 -17.353 1.00 16.71 ? 428 MET A N 1 ATOM 3444 C CA . MET A 1 428 ? 18.266 -18.683 -16.847 1.00 17.08 ? 428 MET A CA 1 ATOM 3445 C C . MET A 1 428 ? 17.724 -17.714 -15.792 1.00 16.67 ? 428 MET A C 1 ATOM 3446 O O . MET A 1 428 ? 16.521 -17.517 -15.696 1.00 16.16 ? 428 MET A O 1 ATOM 3447 C CB . MET A 1 428 ? 18.343 -20.119 -16.297 1.00 17.40 ? 428 MET A CB 1 ATOM 3448 C CG . MET A 1 428 ? 18.658 -21.187 -17.354 1.00 18.71 ? 428 MET A CG 1 ATOM 3449 S SD . MET A 1 428 ? 17.629 -21.105 -18.845 1.00 20.18 ? 428 MET A SD 1 ATOM 3450 C CE . MET A 1 428 ? 16.037 -21.454 -18.092 1.00 19.32 ? 428 MET A CE 1 ATOM 3451 N N . ALA A 1 429 ? 18.612 -17.102 -15.007 1.00 16.66 ? 429 ALA A N 1 ATOM 3452 C CA . ALA A 1 429 ? 18.173 -16.096 -14.035 1.00 16.74 ? 429 ALA A CA 1 ATOM 3453 C C . ALA A 1 429 ? 17.555 -14.854 -14.701 1.00 17.04 ? 429 ALA A C 1 ATOM 3454 O O . ALA A 1 429 ? 16.532 -14.334 -14.228 1.00 16.43 ? 429 ALA A O 1 ATOM 3455 C CB . ALA A 1 429 ? 19.304 -15.712 -13.102 1.00 16.57 ? 429 ALA A CB 1 ATOM 3456 N N . LEU A 1 430 ? 18.139 -14.419 -15.818 1.00 16.52 ? 430 LEU A N 1 ATOM 3457 C CA . LEU A 1 430 ? 17.626 -13.258 -16.549 1.00 17.19 ? 430 LEU A CA 1 ATOM 3458 C C . LEU A 1 430 ? 16.203 -13.505 -17.050 1.00 17.74 ? 430 LEU A C 1 ATOM 3459 O O . LEU A 1 430 ? 15.403 -12.582 -17.161 1.00 17.73 ? 430 LEU A O 1 ATOM 3460 C CB . LEU A 1 430 ? 18.531 -12.922 -17.742 1.00 16.92 ? 430 LEU A CB 1 ATOM 3461 C CG . LEU A 1 430 ? 19.957 -12.483 -17.448 1.00 17.06 ? 430 LEU A CG 1 ATOM 3462 C CD1 . LEU A 1 430 ? 20.669 -12.290 -18.783 1.00 16.96 ? 430 LEU A CD1 1 ATOM 3463 C CD2 . LEU A 1 430 ? 19.973 -11.203 -16.600 1.00 16.77 ? 430 LEU A CD2 1 ATOM 3464 N N . GLU A 1 431 ? 15.909 -14.765 -17.340 1.00 18.90 ? 431 GLU A N 1 ATOM 3465 C CA . GLU A 1 431 ? 14.614 -15.173 -17.830 1.00 20.64 ? 431 GLU A CA 1 ATOM 3466 C C . GLU A 1 431 ? 13.634 -15.446 -16.677 1.00 20.46 ? 431 GLU A C 1 ATOM 3467 O O . GLU A 1 431 ? 12.489 -15.033 -16.720 1.00 22.78 ? 431 GLU A O 1 ATOM 3468 C CB . GLU A 1 431 ? 14.797 -16.427 -18.711 1.00 21.89 ? 431 GLU A CB 1 ATOM 3469 C CG . GLU A 1 431 ? 13.514 -16.936 -19.345 1.00 25.37 ? 431 GLU A CG 1 ATOM 3470 C CD . GLU A 1 431 ? 13.707 -18.190 -20.183 1.00 27.29 ? 431 GLU A CD 1 ATOM 3471 O OE1 . GLU A 1 431 ? 14.879 -18.521 -20.505 1.00 28.75 ? 431 GLU A OE1 1 ATOM 3472 O OE2 . GLU A 1 431 ? 12.682 -18.838 -20.526 1.00 26.95 ? 431 GLU A OE2 1 ATOM 3473 N N . LYS A 1 432 ? 14.091 -16.141 -15.647 1.00 19.89 ? 432 LYS A N 1 ATOM 3474 C CA . LYS A 1 432 ? 13.194 -16.646 -14.623 1.00 19.65 ? 432 LYS A CA 1 ATOM 3475 C C . LYS A 1 432 ? 13.162 -15.796 -13.349 1.00 19.81 ? 432 LYS A C 1 ATOM 3476 O O . LYS A 1 432 ? 12.069 -15.501 -12.844 1.00 20.97 ? 432 LYS A O 1 ATOM 3477 C CB . LYS A 1 432 ? 13.530 -18.101 -14.280 1.00 20.18 ? 432 LYS A CB 1 ATOM 3478 C CG . LYS A 1 432 ? 13.501 -19.071 -15.460 1.00 20.08 ? 432 LYS A CG 1 ATOM 3479 C CD . LYS A 1 432 ? 12.082 -19.329 -15.933 1.00 19.59 ? 432 LYS A CD 1 ATOM 3480 C CE . LYS A 1 432 ? 12.060 -20.401 -17.012 1.00 19.57 ? 432 LYS A CE 1 ATOM 3481 N NZ . LYS A 1 432 ? 10.745 -20.467 -17.690 1.00 18.59 ? 432 LYS A NZ 1 ATOM 3482 N N . ILE A 1 433 ? 14.333 -15.425 -12.829 1.00 17.94 ? 433 ILE A N 1 ATOM 3483 C CA . ILE A 1 433 ? 14.419 -14.620 -11.589 1.00 17.59 ? 433 ILE A CA 1 ATOM 3484 C C . ILE A 1 433 ? 13.933 -13.195 -11.848 1.00 17.24 ? 433 ILE A C 1 ATOM 3485 O O . ILE A 1 433 ? 13.146 -12.646 -11.065 1.00 16.60 ? 433 ILE A O 1 ATOM 3486 C CB . ILE A 1 433 ? 15.846 -14.604 -10.976 1.00 18.07 ? 433 ILE A CB 1 ATOM 3487 C CG1 . ILE A 1 433 ? 16.318 -16.022 -10.598 1.00 18.75 ? 433 ILE A CG1 1 ATOM 3488 C CG2 . ILE A 1 433 ? 15.940 -13.655 -9.775 1.00 17.60 ? 433 ILE A CG2 1 ATOM 3489 C CD1 . ILE A 1 433 ? 15.311 -16.833 -9.813 1.00 19.72 ? 433 ILE A CD1 1 ATOM 3490 N N . ALA A 1 434 ? 14.369 -12.614 -12.965 1.00 16.37 ? 434 ALA A N 1 ATOM 3491 C CA . ALA A 1 434 ? 13.979 -11.247 -13.309 1.00 15.97 ? 434 ALA A CA 1 ATOM 3492 C C . ALA A 1 434 ? 12.468 -11.072 -13.429 1.00 15.34 ? 434 ALA A C 1 ATOM 3493 O O . ALA A 1 434 ? 11.949 -10.006 -13.100 1.00 15.78 ? 434 ALA A O 1 ATOM 3494 C CB . ALA A 1 434 ? 14.672 -10.785 -14.586 1.00 15.97 ? 434 ALA A CB 1 ATOM 3495 N N . PHE A 1 435 ? 11.772 -12.112 -13.870 1.00 14.99 ? 435 PHE A N 1 ATOM 3496 C CA . PHE A 1 435 ? 10.313 -12.074 -14.019 1.00 15.11 ? 435 PHE A CA 1 ATOM 3497 C C . PHE A 1 435 ? 9.537 -12.027 -12.702 1.00 15.25 ? 435 PHE A C 1 ATOM 3498 O O . PHE A 1 435 ? 8.464 -11.429 -12.640 1.00 15.34 ? 435 PHE A O 1 ATOM 3499 C CB . PHE A 1 435 ? 9.812 -13.260 -14.879 1.00 15.04 ? 435 PHE A CB 1 ATOM 3500 C CG . PHE A 1 435 ? 8.307 -13.289 -15.068 1.00 15.26 ? 435 PHE A CG 1 ATOM 3501 C CD1 . PHE A 1 435 ? 7.703 -12.506 -16.049 1.00 15.35 ? 435 PHE A CD1 1 ATOM 3502 C CD2 . PHE A 1 435 ? 7.504 -14.100 -14.273 1.00 15.12 ? 435 PHE A CD2 1 ATOM 3503 C CE1 . PHE A 1 435 ? 6.321 -12.512 -16.210 1.00 15.32 ? 435 PHE A CE1 1 ATOM 3504 C CE2 . PHE A 1 435 ? 6.122 -14.124 -14.441 1.00 15.36 ? 435 PHE A CE2 1 ATOM 3505 C CZ . PHE A 1 435 ? 5.535 -13.331 -15.415 1.00 15.25 ? 435 PHE A CZ 1 ATOM 3506 N N . LEU A 1 436 ? 10.074 -12.645 -11.654 1.00 15.39 ? 436 LEU A N 1 ATOM 3507 C CA . LEU A 1 436 ? 9.308 -12.873 -10.411 1.00 15.67 ? 436 LEU A CA 1 ATOM 3508 C C . LEU A 1 436 ? 8.598 -11.632 -9.832 1.00 15.84 ? 436 LEU A C 1 ATOM 3509 O O . LEU A 1 436 ? 7.396 -11.685 -9.565 1.00 15.84 ? 436 LEU A O 1 ATOM 3510 C CB . LEU A 1 436 ? 10.169 -13.577 -9.342 1.00 15.79 ? 436 LEU A CB 1 ATOM 3511 C CG . LEU A 1 436 ? 10.657 -14.987 -9.718 1.00 16.12 ? 436 LEU A CG 1 ATOM 3512 C CD1 . LEU A 1 436 ? 11.692 -15.485 -8.721 1.00 16.43 ? 436 LEU A CD1 1 ATOM 3513 C CD2 . LEU A 1 436 ? 9.496 -15.969 -9.823 1.00 16.43 ? 436 LEU A CD2 1 ATOM 3514 N N . PRO A 1 437 ? 9.327 -10.510 -9.660 1.00 15.66 ? 437 PRO A N 1 ATOM 3515 C CA . PRO A 1 437 ? 8.668 -9.306 -9.163 1.00 15.79 ? 437 PRO A CA 1 ATOM 3516 C C . PRO A 1 437 ? 7.529 -8.851 -10.077 1.00 15.81 ? 437 PRO A C 1 ATOM 3517 O O . PRO A 1 437 ? 6.483 -8.424 -9.598 1.00 15.56 ? 437 PRO A O 1 ATOM 3518 C CB . PRO A 1 437 ? 9.800 -8.258 -9.155 1.00 15.76 ? 437 PRO A CB 1 ATOM 3519 C CG . PRO A 1 437 ? 10.872 -8.825 -10.041 1.00 15.77 ? 437 PRO A CG 1 ATOM 3520 C CD . PRO A 1 437 ? 10.783 -10.301 -9.807 1.00 15.65 ? 437 PRO A CD 1 ATOM 3521 N N . PHE A 1 438 ? 7.724 -8.938 -11.386 1.00 15.99 ? 438 PHE A N 1 ATOM 3522 C CA . PHE A 1 438 ? 6.686 -8.511 -12.297 1.00 15.81 ? 438 PHE A CA 1 ATOM 3523 C C . PHE A 1 438 ? 5.485 -9.439 -12.199 1.00 16.08 ? 438 PHE A C 1 ATOM 3524 O O . PHE A 1 438 ? 4.348 -8.965 -12.098 1.00 16.69 ? 438 PHE A O 1 ATOM 3525 C CB . PHE A 1 438 ? 7.197 -8.447 -13.734 1.00 16.47 ? 438 PHE A CB 1 ATOM 3526 C CG . PHE A 1 438 ? 6.248 -7.745 -14.672 1.00 17.02 ? 438 PHE A CG 1 ATOM 3527 C CD1 . PHE A 1 438 ? 6.068 -6.367 -14.591 1.00 17.16 ? 438 PHE A CD1 1 ATOM 3528 C CD2 . PHE A 1 438 ? 5.536 -8.452 -15.613 1.00 16.84 ? 438 PHE A CD2 1 ATOM 3529 C CE1 . PHE A 1 438 ? 5.180 -5.707 -15.436 1.00 17.36 ? 438 PHE A CE1 1 ATOM 3530 C CE2 . PHE A 1 438 ? 4.648 -7.798 -16.472 1.00 17.23 ? 438 PHE A CE2 1 ATOM 3531 C CZ . PHE A 1 438 ? 4.474 -6.426 -16.388 1.00 17.11 ? 438 PHE A CZ 1 ATOM 3532 N N . GLY A 1 439 ? 5.740 -10.747 -12.231 1.00 15.58 ? 439 GLY A N 1 ATOM 3533 C CA . GLY A 1 439 ? 4.678 -11.744 -12.114 1.00 15.69 ? 439 GLY A CA 1 ATOM 3534 C C . GLY A 1 439 ? 3.852 -11.552 -10.853 1.00 16.71 ? 439 GLY A C 1 ATOM 3535 O O . GLY A 1 439 ? 2.646 -11.848 -10.846 1.00 16.51 ? 439 GLY A O 1 ATOM 3536 N N . TYR A 1 440 ? 4.504 -11.059 -9.792 1.00 16.57 ? 440 TYR A N 1 ATOM 3537 C CA . TYR A 1 440 ? 3.861 -10.831 -8.491 1.00 17.47 ? 440 TYR A CA 1 ATOM 3538 C C . TYR A 1 440 ? 3.076 -9.508 -8.461 1.00 17.59 ? 440 TYR A C 1 ATOM 3539 O O . TYR A 1 440 ? 1.955 -9.427 -7.914 1.00 18.54 ? 440 TYR A O 1 ATOM 3540 C CB . TYR A 1 440 ? 4.923 -10.887 -7.376 1.00 18.54 ? 440 TYR A CB 1 ATOM 3541 C CG . TYR A 1 440 ? 4.416 -10.831 -5.940 1.00 20.07 ? 440 TYR A CG 1 ATOM 3542 C CD1 . TYR A 1 440 ? 3.178 -11.373 -5.577 1.00 21.01 ? 440 TYR A CD1 1 ATOM 3543 C CD2 . TYR A 1 440 ? 5.201 -10.264 -4.934 1.00 20.90 ? 440 TYR A CD2 1 ATOM 3544 C CE1 . TYR A 1 440 ? 2.728 -11.318 -4.264 1.00 22.21 ? 440 TYR A CE1 1 ATOM 3545 C CE2 . TYR A 1 440 ? 4.764 -10.225 -3.614 1.00 22.16 ? 440 TYR A CE2 1 ATOM 3546 C CZ . TYR A 1 440 ? 3.528 -10.747 -3.289 1.00 22.35 ? 440 TYR A CZ 1 ATOM 3547 O OH . TYR A 1 440 ? 3.087 -10.705 -1.986 1.00 24.41 ? 440 TYR A OH 1 ATOM 3548 N N . LEU A 1 441 ? 3.632 -8.475 -9.077 1.00 17.10 ? 441 LEU A N 1 ATOM 3549 C CA . LEU A 1 441 ? 3.075 -7.128 -8.896 1.00 16.75 ? 441 LEU A CA 1 ATOM 3550 C C . LEU A 1 441 ? 1.818 -6.812 -9.718 1.00 16.70 ? 441 LEU A C 1 ATOM 3551 O O . LEU A 1 441 ? 0.986 -6.013 -9.279 1.00 17.58 ? 441 LEU A O 1 ATOM 3552 C CB . LEU A 1 441 ? 4.142 -6.060 -9.134 1.00 15.47 ? 441 LEU A CB 1 ATOM 3553 C CG . LEU A 1 441 ? 4.613 -5.696 -10.561 1.00 14.90 ? 441 LEU A CG 1 ATOM 3554 C CD1 . LEU A 1 441 ? 3.717 -4.683 -11.257 1.00 14.16 ? 441 LEU A CD1 1 ATOM 3555 C CD2 . LEU A 1 441 ? 6.019 -5.123 -10.445 1.00 14.18 ? 441 LEU A CD2 1 ATOM 3556 N N . VAL A 1 442 ? 1.690 -7.407 -10.902 1.00 16.17 ? 442 VAL A N 1 ATOM 3557 C CA . VAL A 1 442 ? 0.637 -7.011 -11.844 1.00 16.23 ? 442 VAL A CA 1 ATOM 3558 C C . VAL A 1 442 ? -0.731 -7.157 -11.204 1.00 16.20 ? 442 VAL A C 1 ATOM 3559 O O . VAL A 1 442 ? -1.547 -6.229 -11.248 1.00 15.95 ? 442 VAL A O 1 ATOM 3560 C CB . VAL A 1 442 ? 0.710 -7.757 -13.205 1.00 16.08 ? 442 VAL A CB 1 ATOM 3561 C CG1 . VAL A 1 442 ? -0.469 -7.380 -14.086 1.00 16.00 ? 442 VAL A CG1 1 ATOM 3562 C CG2 . VAL A 1 442 ? 2.007 -7.414 -13.945 1.00 15.86 ? 442 VAL A CG2 1 ATOM 3563 N N . ASP A 1 443 ? -0.987 -8.309 -10.601 1.00 16.65 ? 443 ASP A N 1 ATOM 3564 C CA . ASP A 1 443 ? -2.277 -8.491 -9.944 1.00 17.56 ? 443 ASP A CA 1 ATOM 3565 C C . ASP A 1 443 ? -2.369 -7.848 -8.562 1.00 17.91 ? 443 ASP A C 1 ATOM 3566 O O . ASP A 1 443 ? -3.467 -7.611 -8.086 1.00 18.13 ? 443 ASP A O 1 ATOM 3567 C CB . ASP A 1 443 ? -2.721 -9.959 -9.920 1.00 17.90 ? 443 ASP A CB 1 ATOM 3568 C CG . ASP A 1 443 ? -3.334 -10.413 -11.251 1.00 18.06 ? 443 ASP A CG 1 ATOM 3569 O OD1 . ASP A 1 443 ? -3.471 -9.593 -12.190 1.00 17.53 ? 443 ASP A OD1 1 ATOM 3570 O OD2 . ASP A 1 443 ? -3.700 -11.604 -11.357 1.00 18.60 ? 443 ASP A OD2 1 ATOM 3571 N N . GLN A 1 444 ? -1.247 -7.540 -7.916 1.00 18.11 ? 444 GLN A N 1 ATOM 3572 C CA . GLN A 1 444 ? -1.349 -6.658 -6.748 1.00 18.90 ? 444 GLN A CA 1 ATOM 3573 C C . GLN A 1 444 ? -1.974 -5.334 -7.194 1.00 18.70 ? 444 GLN A C 1 ATOM 3574 O O . GLN A 1 444 ? -2.892 -4.833 -6.540 1.00 18.46 ? 444 GLN A O 1 ATOM 3575 C CB . GLN A 1 444 ? 0.003 -6.415 -6.074 1.00 19.57 ? 444 GLN A CB 1 ATOM 3576 C CG . GLN A 1 444 ? 0.546 -7.633 -5.329 1.00 21.95 ? 444 GLN A CG 1 ATOM 3577 C CD . GLN A 1 444 ? 1.653 -7.261 -4.361 1.00 24.22 ? 444 GLN A CD 1 ATOM 3578 O OE1 . GLN A 1 444 ? 1.483 -6.380 -3.515 1.00 26.29 ? 444 GLN A OE1 1 ATOM 3579 N NE2 . GLN A 1 444 ? 2.794 -7.920 -4.485 1.00 22.95 ? 444 GLN A NE2 1 ATOM 3580 N N . TRP A 1 445 ? -1.484 -4.780 -8.312 1.00 18.46 ? 445 TRP A N 1 ATOM 3581 C CA . TRP A 1 445 ? -2.039 -3.542 -8.857 1.00 18.34 ? 445 TRP A CA 1 ATOM 3582 C C . TRP A 1 445 ? -3.537 -3.692 -9.169 1.00 18.06 ? 445 TRP A C 1 ATOM 3583 O O . TRP A 1 445 ? -4.367 -2.871 -8.746 1.00 18.20 ? 445 TRP A O 1 ATOM 3584 C CB . TRP A 1 445 ? -1.268 -3.075 -10.111 1.00 18.49 ? 445 TRP A CB 1 ATOM 3585 C CG . TRP A 1 445 ? -1.850 -1.812 -10.684 1.00 18.90 ? 445 TRP A CG 1 ATOM 3586 C CD1 . TRP A 1 445 ? -1.581 -0.528 -10.290 1.00 19.19 ? 445 TRP A CD1 1 ATOM 3587 C CD2 . TRP A 1 445 ? -2.825 -1.714 -11.728 1.00 19.39 ? 445 TRP A CD2 1 ATOM 3588 N NE1 . TRP A 1 445 ? -2.321 0.359 -11.033 1.00 19.07 ? 445 TRP A NE1 1 ATOM 3589 C CE2 . TRP A 1 445 ? -3.096 -0.342 -11.920 1.00 19.23 ? 445 TRP A CE2 1 ATOM 3590 C CE3 . TRP A 1 445 ? -3.491 -2.656 -12.527 1.00 18.86 ? 445 TRP A CE3 1 ATOM 3591 C CZ2 . TRP A 1 445 ? -4.007 0.116 -12.878 1.00 19.58 ? 445 TRP A CZ2 1 ATOM 3592 C CZ3 . TRP A 1 445 ? -4.400 -2.198 -13.481 1.00 20.03 ? 445 TRP A CZ3 1 ATOM 3593 C CH2 . TRP A 1 445 ? -4.650 -0.829 -13.644 1.00 19.86 ? 445 TRP A CH2 1 ATOM 3594 N N . ARG A 1 446 ? -3.873 -4.755 -9.879 1.00 17.26 ? 446 ARG A N 1 ATOM 3595 C CA . ARG A 1 446 ? -5.236 -4.992 -10.339 1.00 17.56 ? 446 ARG A CA 1 ATOM 3596 C C . ARG A 1 446 ? -6.210 -5.333 -9.202 1.00 17.45 ? 446 ARG A C 1 ATOM 3597 O O . ARG A 1 446 ? -7.346 -4.889 -9.214 1.00 16.86 ? 446 ARG A O 1 ATOM 3598 C CB . ARG A 1 446 ? -5.204 -6.064 -11.421 1.00 18.17 ? 446 ARG A CB 1 ATOM 3599 C CG . ARG A 1 446 ? -6.409 -6.105 -12.330 1.00 19.29 ? 446 ARG A CG 1 ATOM 3600 C CD . ARG A 1 446 ? -6.070 -6.532 -13.760 1.00 18.79 ? 446 ARG A CD 1 ATOM 3601 N NE . ARG A 1 446 ? -5.100 -7.629 -13.875 1.00 18.25 ? 446 ARG A NE 1 ATOM 3602 C CZ . ARG A 1 446 ? -4.948 -8.371 -14.973 1.00 17.99 ? 446 ARG A CZ 1 ATOM 3603 N NH1 . ARG A 1 446 ? -5.736 -8.185 -16.020 1.00 17.77 ? 446 ARG A NH1 1 ATOM 3604 N NH2 . ARG A 1 446 ? -4.030 -9.322 -15.017 1.00 17.64 ? 446 ARG A NH2 1 ATOM 3605 N N . TRP A 1 447 ? -5.751 -6.092 -8.207 1.00 17.79 ? 447 TRP A N 1 ATOM 3606 C CA . TRP A 1 447 ? -6.546 -6.330 -7.001 1.00 18.24 ? 447 TRP A CA 1 ATOM 3607 C C . TRP A 1 447 ? -6.873 -5.022 -6.268 1.00 18.67 ? 447 TRP A C 1 ATOM 3608 O O . TRP A 1 447 ? -7.972 -4.868 -5.768 1.00 19.79 ? 447 TRP A O 1 ATOM 3609 C CB . TRP A 1 447 ? -5.853 -7.291 -6.033 1.00 17.88 ? 447 TRP A CB 1 ATOM 3610 C CG . TRP A 1 447 ? -5.610 -8.694 -6.573 1.00 17.60 ? 447 TRP A CG 1 ATOM 3611 C CD1 . TRP A 1 447 ? -6.268 -9.317 -7.596 1.00 17.44 ? 447 TRP A CD1 1 ATOM 3612 C CD2 . TRP A 1 447 ? -4.654 -9.636 -6.078 1.00 17.83 ? 447 TRP A CD2 1 ATOM 3613 N NE1 . TRP A 1 447 ? -5.767 -10.594 -7.786 1.00 17.32 ? 447 TRP A NE1 1 ATOM 3614 C CE2 . TRP A 1 447 ? -4.786 -10.820 -6.857 1.00 17.87 ? 447 TRP A CE2 1 ATOM 3615 C CE3 . TRP A 1 447 ? -3.693 -9.598 -5.053 1.00 18.07 ? 447 TRP A CE3 1 ATOM 3616 C CZ2 . TRP A 1 447 ? -3.977 -11.949 -6.653 1.00 17.78 ? 447 TRP A CZ2 1 ATOM 3617 C CZ3 . TRP A 1 447 ? -2.897 -10.728 -4.844 1.00 18.35 ? 447 TRP A CZ3 1 ATOM 3618 C CH2 . TRP A 1 447 ? -3.048 -11.884 -5.646 1.00 17.79 ? 447 TRP A CH2 1 ATOM 3619 N N . GLY A 1 448 ? -5.923 -4.095 -6.214 1.00 19.13 ? 448 GLY A N 1 ATOM 3620 C CA . GLY A 1 448 ? -6.154 -2.770 -5.596 1.00 19.41 ? 448 GLY A CA 1 ATOM 3621 C C . GLY A 1 448 ? -7.168 -1.942 -6.368 1.00 19.69 ? 448 GLY A C 1 ATOM 3622 O O . GLY A 1 448 ? -7.953 -1.188 -5.778 1.00 20.23 ? 448 GLY A O 1 ATOM 3623 N N . VAL A 1 449 ? -7.160 -2.085 -7.692 1.00 19.06 ? 449 VAL A N 1 ATOM 3624 C CA . VAL A 1 449 ? -8.129 -1.407 -8.561 1.00 18.52 ? 449 VAL A CA 1 ATOM 3625 C C . VAL A 1 449 ? -9.549 -1.976 -8.401 1.00 19.11 ? 449 VAL A C 1 ATOM 3626 O O . VAL A 1 449 ? -10.522 -1.224 -8.300 1.00 18.73 ? 449 VAL A O 1 ATOM 3627 C CB . VAL A 1 449 ? -7.687 -1.452 -10.051 1.00 18.39 ? 449 VAL A CB 1 ATOM 3628 C CG1 . VAL A 1 449 ? -8.771 -0.898 -10.968 1.00 17.65 ? 449 VAL A CG1 1 ATOM 3629 C CG2 . VAL A 1 449 ? -6.389 -0.675 -10.239 1.00 18.07 ? 449 VAL A CG2 1 ATOM 3630 N N . PHE A 1 450 ? -9.663 -3.302 -8.391 1.00 18.83 ? 450 PHE A N 1 ATOM 3631 C CA . PHE A 1 450 ? -10.948 -3.949 -8.213 1.00 18.97 ? 450 PHE A CA 1 ATOM 3632 C C . PHE A 1 450 ? -11.525 -3.674 -6.818 1.00 19.47 ? 450 PHE A C 1 ATOM 3633 O O . PHE A 1 450 ? -12.742 -3.579 -6.655 1.00 19.29 ? 450 PHE A O 1 ATOM 3634 C CB . PHE A 1 450 ? -10.814 -5.458 -8.420 1.00 19.20 ? 450 PHE A CB 1 ATOM 3635 C CG . PHE A 1 450 ? -10.792 -5.885 -9.866 1.00 19.34 ? 450 PHE A CG 1 ATOM 3636 C CD1 . PHE A 1 450 ? -11.719 -5.388 -10.780 1.00 19.63 ? 450 PHE A CD1 1 ATOM 3637 C CD2 . PHE A 1 450 ? -9.862 -6.822 -10.303 1.00 19.42 ? 450 PHE A CD2 1 ATOM 3638 C CE1 . PHE A 1 450 ? -11.698 -5.802 -12.108 1.00 19.84 ? 450 PHE A CE1 1 ATOM 3639 C CE2 . PHE A 1 450 ? -9.839 -7.242 -11.621 1.00 19.56 ? 450 PHE A CE2 1 ATOM 3640 C CZ . PHE A 1 450 ? -10.753 -6.727 -12.533 1.00 19.75 ? 450 PHE A CZ 1 ATOM 3641 N N . SER A 1 451 ? -10.657 -3.553 -5.818 1.00 18.79 ? 451 SER A N 1 ATOM 3642 C CA . SER A 1 451 ? -11.131 -3.337 -4.441 1.00 20.52 ? 451 SER A CA 1 ATOM 3643 C C . SER A 1 451 ? -11.474 -1.875 -4.153 1.00 20.86 ? 451 SER A C 1 ATOM 3644 O O . SER A 1 451 ? -12.112 -1.572 -3.146 1.00 21.12 ? 451 SER A O 1 ATOM 3645 C CB . SER A 1 451 ? -10.097 -3.842 -3.437 1.00 19.98 ? 451 SER A CB 1 ATOM 3646 O OG . SER A 1 451 ? -9.046 -2.902 -3.336 1.00 20.44 ? 451 SER A OG 1 ATOM 3647 N N . GLY A 1 452 ? -11.013 -0.974 -5.021 1.00 21.66 ? 452 GLY A N 1 ATOM 3648 C CA . GLY A 1 452 ? -11.212 0.455 -4.834 1.00 21.64 ? 452 GLY A CA 1 ATOM 3649 C C . GLY A 1 452 ? -10.106 1.165 -4.074 1.00 22.52 ? 452 GLY A C 1 ATOM 3650 O O . GLY A 1 452 ? -10.167 2.379 -3.921 1.00 22.09 ? 452 GLY A O 1 ATOM 3651 N N . ARG A 1 453 ? -9.096 0.436 -3.594 1.00 23.16 ? 453 ARG A N 1 ATOM 3652 C CA . ARG A 1 453 ? -7.963 1.090 -2.941 1.00 25.45 ? 453 ARG A CA 1 ATOM 3653 C C . ARG A 1 453 ? -7.196 1.973 -3.938 1.00 23.56 ? 453 ARG A C 1 ATOM 3654 O O . ARG A 1 453 ? -6.627 2.992 -3.555 1.00 23.28 ? 453 ARG A O 1 ATOM 3655 C CB . ARG A 1 453 ? -7.029 0.078 -2.275 1.00 28.83 ? 453 ARG A CB 1 ATOM 3656 C CG . ARG A 1 453 ? -7.498 -0.309 -0.875 1.00 35.70 ? 453 ARG A CG 1 ATOM 3657 C CD . ARG A 1 453 ? -6.374 -0.930 -0.051 1.00 41.53 ? 453 ARG A CD 1 ATOM 3658 N NE . ARG A 1 453 ? -6.598 -0.768 1.388 1.00 46.36 ? 453 ARG A NE 1 ATOM 3659 C CZ . ARG A 1 453 ? -5.978 0.128 2.156 1.00 47.72 ? 453 ARG A CZ 1 ATOM 3660 N NH1 . ARG A 1 453 ? -5.072 0.948 1.638 1.00 48.31 ? 453 ARG A NH1 1 ATOM 3661 N NH2 . ARG A 1 453 ? -6.263 0.196 3.450 1.00 48.89 ? 453 ARG A NH2 1 ATOM 3662 N N . THR A 1 454 ? -7.220 1.568 -5.207 1.00 22.04 ? 454 THR A N 1 ATOM 3663 C CA . THR A 1 454 ? -6.624 2.319 -6.326 1.00 20.53 ? 454 THR A CA 1 ATOM 3664 C C . THR A 1 454 ? -7.719 2.816 -7.277 1.00 20.02 ? 454 THR A C 1 ATOM 3665 O O . THR A 1 454 ? -8.107 2.108 -8.223 1.00 18.97 ? 454 THR A O 1 ATOM 3666 C CB . THR A 1 454 ? -5.591 1.452 -7.094 1.00 19.89 ? 454 THR A CB 1 ATOM 3667 O OG1 . THR A 1 454 ? -4.544 1.060 -6.191 1.00 19.61 ? 454 THR A OG1 1 ATOM 3668 C CG2 . THR A 1 454 ? -4.981 2.225 -8.257 1.00 19.82 ? 454 THR A CG2 1 ATOM 3669 N N . PRO A 1 455 ? -8.215 4.049 -7.041 1.00 20.01 ? 455 PRO A N 1 ATOM 3670 C CA . PRO A 1 455 ? -9.201 4.658 -7.938 1.00 19.83 ? 455 PRO A CA 1 ATOM 3671 C C . PRO A 1 455 ? -8.510 5.130 -9.219 1.00 19.49 ? 455 PRO A C 1 ATOM 3672 O O . PRO A 1 455 ? -7.280 5.146 -9.261 1.00 20.16 ? 455 PRO A O 1 ATOM 3673 C CB . PRO A 1 455 ? -9.714 5.860 -7.128 1.00 19.79 ? 455 PRO A CB 1 ATOM 3674 C CG . PRO A 1 455 ? -8.549 6.241 -6.269 1.00 20.18 ? 455 PRO A CG 1 ATOM 3675 C CD . PRO A 1 455 ? -7.845 4.951 -5.932 1.00 19.59 ? 455 PRO A CD 1 ATOM 3676 N N . PRO A 1 456 ? -9.284 5.516 -10.254 1.00 19.63 ? 456 PRO A N 1 ATOM 3677 C CA . PRO A 1 456 ? -8.673 6.037 -11.489 1.00 19.96 ? 456 PRO A CA 1 ATOM 3678 C C . PRO A 1 456 ? -7.677 7.177 -11.276 1.00 20.50 ? 456 PRO A C 1 ATOM 3679 O O . PRO A 1 456 ? -6.729 7.280 -12.034 1.00 20.66 ? 456 PRO A O 1 ATOM 3680 C CB . PRO A 1 456 ? -9.868 6.531 -12.291 1.00 20.05 ? 456 PRO A CB 1 ATOM 3681 C CG . PRO A 1 456 ? -10.995 5.648 -11.855 1.00 19.66 ? 456 PRO A CG 1 ATOM 3682 C CD . PRO A 1 456 ? -10.741 5.303 -10.407 1.00 19.29 ? 456 PRO A CD 1 ATOM 3683 N N . SER A 1 457 ? -7.890 8.025 -10.267 1.00 20.65 ? 457 SER A N 1 ATOM 3684 C CA . SER A 1 457 ? -6.941 9.117 -9.958 1.00 21.00 ? 457 SER A CA 1 ATOM 3685 C C . SER A 1 457 ? -5.532 8.659 -9.529 1.00 20.35 ? 457 SER A C 1 ATOM 3686 O O . SER A 1 457 ? -4.599 9.471 -9.501 1.00 20.80 ? 457 SER A O 1 ATOM 3687 C CB . SER A 1 457 ? -7.532 10.030 -8.867 1.00 21.82 ? 457 SER A CB 1 ATOM 3688 O OG . SER A 1 457 ? -7.497 9.364 -7.616 1.00 21.57 ? 457 SER A OG 1 ATOM 3689 N N . ARG A 1 458 ? -5.380 7.376 -9.183 1.00 19.68 ? 458 ARG A N 1 ATOM 3690 C CA . ARG A 1 458 ? -4.083 6.814 -8.773 1.00 18.87 ? 458 ARG A CA 1 ATOM 3691 C C . ARG A 1 458 ? -3.612 5.583 -9.566 1.00 18.51 ? 458 ARG A C 1 ATOM 3692 O O . ARG A 1 458 ? -2.685 4.881 -9.121 1.00 18.45 ? 458 ARG A O 1 ATOM 3693 C CB . ARG A 1 458 ? -4.087 6.468 -7.275 1.00 19.39 ? 458 ARG A CB 1 ATOM 3694 C CG . ARG A 1 458 ? -4.090 7.682 -6.357 1.00 19.80 ? 458 ARG A CG 1 ATOM 3695 C CD . ARG A 1 458 ? -3.759 7.300 -4.920 1.00 20.98 ? 458 ARG A CD 1 ATOM 3696 N NE . ARG A 1 458 ? -4.832 6.595 -4.215 1.00 21.29 ? 458 ARG A NE 1 ATOM 3697 C CZ . ARG A 1 458 ? -5.920 7.177 -3.702 1.00 22.01 ? 458 ARG A CZ 1 ATOM 3698 N NH1 . ARG A 1 458 ? -6.119 8.492 -3.824 1.00 22.44 ? 458 ARG A NH1 1 ATOM 3699 N NH2 . ARG A 1 458 ? -6.817 6.440 -3.062 1.00 21.76 ? 458 ARG A NH2 1 ATOM 3700 N N . TYR A 1 459 ? -4.244 5.315 -10.712 1.00 18.25 ? 459 TYR A N 1 ATOM 3701 C CA . TYR A 1 459 ? -3.870 4.173 -11.578 1.00 17.97 ? 459 TYR A CA 1 ATOM 3702 C C . TYR A 1 459 ? -2.373 4.133 -11.841 1.00 17.80 ? 459 TYR A C 1 ATOM 3703 O O . TYR A 1 459 ? -1.724 3.100 -11.630 1.00 17.80 ? 459 TYR A O 1 ATOM 3704 C CB . TYR A 1 459 ? -4.582 4.250 -12.941 1.00 17.79 ? 459 TYR A CB 1 ATOM 3705 C CG . TYR A 1 459 ? -5.978 3.663 -13.015 1.00 17.98 ? 459 TYR A CG 1 ATOM 3706 C CD1 . TYR A 1 459 ? -6.660 3.232 -11.866 1.00 17.90 ? 459 TYR A CD1 1 ATOM 3707 C CD2 . TYR A 1 459 ? -6.630 3.568 -14.242 1.00 17.98 ? 459 TYR A CD2 1 ATOM 3708 C CE1 . TYR A 1 459 ? -7.946 2.708 -11.956 1.00 18.15 ? 459 TYR A CE1 1 ATOM 3709 C CE2 . TYR A 1 459 ? -7.917 3.053 -14.346 1.00 18.33 ? 459 TYR A CE2 1 ATOM 3710 C CZ . TYR A 1 459 ? -8.570 2.627 -13.208 1.00 18.14 ? 459 TYR A CZ 1 ATOM 3711 O OH . TYR A 1 459 ? -9.839 2.103 -13.332 1.00 18.61 ? 459 TYR A OH 1 ATOM 3712 N N . ASN A 1 460 ? -1.825 5.252 -12.311 1.00 17.45 ? 460 ASN A N 1 ATOM 3713 C CA . ASN A 1 460 ? -0.421 5.285 -12.682 1.00 17.28 ? 460 ASN A CA 1 ATOM 3714 C C . ASN A 1 460 ? 0.529 5.449 -11.498 1.00 17.28 ? 460 ASN A C 1 ATOM 3715 O O . ASN A 1 460 ? 1.572 4.823 -11.455 1.00 16.56 ? 460 ASN A O 1 ATOM 3716 C CB . ASN A 1 460 ? -0.149 6.340 -13.759 1.00 17.45 ? 460 ASN A CB 1 ATOM 3717 C CG . ASN A 1 460 ? 0.722 5.803 -14.879 1.00 17.95 ? 460 ASN A CG 1 ATOM 3718 O OD1 . ASN A 1 460 ? 0.491 4.706 -15.360 1.00 18.56 ? 460 ASN A OD1 1 ATOM 3719 N ND2 . ASN A 1 460 ? 1.727 6.565 -15.294 1.00 17.99 ? 460 ASN A ND2 1 ATOM 3720 N N . PHE A 1 461 ? 0.151 6.290 -10.537 1.00 17.23 ? 461 PHE A N 1 ATOM 3721 C CA . PHE A 1 461 ? 0.922 6.502 -9.320 1.00 17.31 ? 461 PHE A CA 1 ATOM 3722 C C . PHE A 1 461 ? 1.143 5.154 -8.605 1.00 17.08 ? 461 PHE A C 1 ATOM 3723 O O . PHE A 1 461 ? 2.263 4.840 -8.216 1.00 16.91 ? 461 PHE A O 1 ATOM 3724 C CB . PHE A 1 461 ? 0.167 7.567 -8.484 1.00 17.65 ? 461 PHE A CB 1 ATOM 3725 C CG . PHE A 1 461 ? 0.616 7.737 -7.067 1.00 17.68 ? 461 PHE A CG 1 ATOM 3726 C CD1 . PHE A 1 461 ? 1.814 8.377 -6.759 1.00 18.10 ? 461 PHE A CD1 1 ATOM 3727 C CD2 . PHE A 1 461 ? -0.227 7.362 -6.021 1.00 17.98 ? 461 PHE A CD2 1 ATOM 3728 C CE1 . PHE A 1 461 ? 2.181 8.583 -5.436 1.00 18.35 ? 461 PHE A CE1 1 ATOM 3729 C CE2 . PHE A 1 461 ? 0.138 7.566 -4.699 1.00 18.59 ? 461 PHE A CE2 1 ATOM 3730 C CZ . PHE A 1 461 ? 1.349 8.183 -4.408 1.00 18.06 ? 461 PHE A CZ 1 ATOM 3731 N N . ASP A 1 462 ? 0.095 4.342 -8.495 1.00 16.86 ? 462 ASP A N 1 ATOM 3732 C CA . ASP A 1 462 ? 0.184 3.051 -7.811 1.00 17.22 ? 462 ASP A CA 1 ATOM 3733 C C . ASP A 1 462 ? 0.872 1.972 -8.646 1.00 16.99 ? 462 ASP A C 1 ATOM 3734 O O . ASP A 1 462 ? 1.551 1.103 -8.092 1.00 16.69 ? 462 ASP A O 1 ATOM 3735 C CB . ASP A 1 462 ? -1.197 2.569 -7.337 1.00 17.42 ? 462 ASP A CB 1 ATOM 3736 C CG . ASP A 1 462 ? -1.677 3.305 -6.102 1.00 18.41 ? 462 ASP A CG 1 ATOM 3737 O OD1 . ASP A 1 462 ? -0.956 4.190 -5.618 1.00 19.98 ? 462 ASP A OD1 1 ATOM 3738 O OD2 . ASP A 1 462 ? -2.781 3.021 -5.605 1.00 19.06 ? 462 ASP A OD2 1 ATOM 3739 N N . TRP A 1 463 ? 0.706 2.041 -9.966 1.00 16.77 ? 463 TRP A N 1 ATOM 3740 C CA . TRP A 1 463 ? 1.456 1.175 -10.889 1.00 16.50 ? 463 TRP A CA 1 ATOM 3741 C C . TRP A 1 463 ? 2.947 1.385 -10.702 1.00 16.23 ? 463 TRP A C 1 ATOM 3742 O O . TRP A 1 463 ? 3.672 0.434 -10.444 1.00 15.66 ? 463 TRP A O 1 ATOM 3743 C CB . TRP A 1 463 ? 1.071 1.461 -12.335 1.00 16.41 ? 463 TRP A CB 1 ATOM 3744 C CG . TRP A 1 463 ? 1.855 0.726 -13.404 1.00 16.50 ? 463 TRP A CG 1 ATOM 3745 C CD1 . TRP A 1 463 ? 2.739 1.273 -14.273 1.00 16.74 ? 463 TRP A CD1 1 ATOM 3746 C CD2 . TRP A 1 463 ? 1.767 -0.674 -13.748 1.00 16.81 ? 463 TRP A CD2 1 ATOM 3747 N NE1 . TRP A 1 463 ? 3.241 0.311 -15.125 1.00 16.49 ? 463 TRP A NE1 1 ATOM 3748 C CE2 . TRP A 1 463 ? 2.650 -0.892 -14.833 1.00 16.61 ? 463 TRP A CE2 1 ATOM 3749 C CE3 . TRP A 1 463 ? 1.025 -1.758 -13.250 1.00 16.53 ? 463 TRP A CE3 1 ATOM 3750 C CZ2 . TRP A 1 463 ? 2.821 -2.150 -15.427 1.00 16.70 ? 463 TRP A CZ2 1 ATOM 3751 C CZ3 . TRP A 1 463 ? 1.198 -3.018 -13.841 1.00 16.64 ? 463 TRP A CZ3 1 ATOM 3752 C CH2 . TRP A 1 463 ? 2.085 -3.199 -14.922 1.00 16.88 ? 463 TRP A CH2 1 ATOM 3753 N N . TRP A 1 464 ? 3.394 2.635 -10.791 1.00 16.25 ? 464 TRP A N 1 ATOM 3754 C CA . TRP A 1 464 ? 4.812 2.910 -10.651 1.00 16.60 ? 464 TRP A CA 1 ATOM 3755 C C . TRP A 1 464 ? 5.325 2.728 -9.245 1.00 16.79 ? 464 TRP A C 1 ATOM 3756 O O . TRP A 1 464 ? 6.506 2.445 -9.072 1.00 17.39 ? 464 TRP A O 1 ATOM 3757 C CB . TRP A 1 464 ? 5.209 4.269 -11.267 1.00 16.62 ? 464 TRP A CB 1 ATOM 3758 C CG . TRP A 1 464 ? 5.230 4.136 -12.758 1.00 16.83 ? 464 TRP A CG 1 ATOM 3759 C CD1 . TRP A 1 464 ? 4.303 4.610 -13.647 1.00 16.66 ? 464 TRP A CD1 1 ATOM 3760 C CD2 . TRP A 1 464 ? 6.185 3.401 -13.527 1.00 16.34 ? 464 TRP A CD2 1 ATOM 3761 N NE1 . TRP A 1 464 ? 4.646 4.236 -14.923 1.00 16.22 ? 464 TRP A NE1 1 ATOM 3762 C CE2 . TRP A 1 464 ? 5.795 3.493 -14.874 1.00 16.43 ? 464 TRP A CE2 1 ATOM 3763 C CE3 . TRP A 1 464 ? 7.346 2.676 -13.203 1.00 16.66 ? 464 TRP A CE3 1 ATOM 3764 C CZ2 . TRP A 1 464 ? 6.527 2.894 -15.912 1.00 16.08 ? 464 TRP A CZ2 1 ATOM 3765 C CZ3 . TRP A 1 464 ? 8.073 2.074 -14.235 1.00 16.40 ? 464 TRP A CZ3 1 ATOM 3766 C CH2 . TRP A 1 464 ? 7.660 2.197 -15.572 1.00 16.20 ? 464 TRP A CH2 1 ATOM 3767 N N . TYR A 1 465 ? 4.454 2.899 -8.244 1.00 17.00 ? 465 TYR A N 1 ATOM 3768 C CA . TYR A 1 465 ? 4.829 2.550 -6.879 1.00 17.09 ? 465 TYR A CA 1 ATOM 3769 C C . TYR A 1 465 ? 5.258 1.080 -6.844 1.00 16.56 ? 465 TYR A C 1 ATOM 3770 O O . TYR A 1 465 ? 6.347 0.748 -6.367 1.00 16.31 ? 465 TYR A O 1 ATOM 3771 C CB . TYR A 1 465 ? 3.713 2.804 -5.855 1.00 17.52 ? 465 TYR A CB 1 ATOM 3772 C CG . TYR A 1 465 ? 4.080 2.207 -4.512 1.00 18.53 ? 465 TYR A CG 1 ATOM 3773 C CD1 . TYR A 1 465 ? 4.915 2.905 -3.628 1.00 19.21 ? 465 TYR A CD1 1 ATOM 3774 C CD2 . TYR A 1 465 ? 3.659 0.924 -4.154 1.00 18.96 ? 465 TYR A CD2 1 ATOM 3775 C CE1 . TYR A 1 465 ? 5.285 2.357 -2.412 1.00 19.79 ? 465 TYR A CE1 1 ATOM 3776 C CE2 . TYR A 1 465 ? 4.036 0.358 -2.937 1.00 19.77 ? 465 TYR A CE2 1 ATOM 3777 C CZ . TYR A 1 465 ? 4.849 1.088 -2.074 1.00 19.95 ? 465 TYR A CZ 1 ATOM 3778 O OH . TYR A 1 465 ? 5.244 0.549 -0.892 1.00 20.39 ? 465 TYR A OH 1 ATOM 3779 N N . LEU A 1 466 ? 4.402 0.217 -7.379 1.00 16.00 ? 466 LEU A N 1 ATOM 3780 C CA . LEU A 1 466 ? 4.655 -1.213 -7.388 1.00 16.26 ? 466 LEU A CA 1 ATOM 3781 C C . LEU A 1 466 ? 5.843 -1.596 -8.271 1.00 16.20 ? 466 LEU A C 1 ATOM 3782 O O . LEU A 1 466 ? 6.607 -2.479 -7.912 1.00 16.46 ? 466 LEU A O 1 ATOM 3783 C CB . LEU A 1 466 ? 3.399 -1.989 -7.804 1.00 15.95 ? 466 LEU A CB 1 ATOM 3784 C CG . LEU A 1 466 ? 2.287 -1.929 -6.751 1.00 16.07 ? 466 LEU A CG 1 ATOM 3785 C CD1 . LEU A 1 466 ? 0.956 -2.413 -7.312 1.00 16.01 ? 466 LEU A CD1 1 ATOM 3786 C CD2 . LEU A 1 466 ? 2.665 -2.736 -5.519 1.00 16.43 ? 466 LEU A CD2 1 ATOM 3787 N N . ARG A 1 467 ? 5.989 -0.924 -9.407 1.00 16.34 ? 467 ARG A N 1 ATOM 3788 C CA . ARG A 1 467 ? 7.053 -1.230 -10.361 1.00 16.54 ? 467 ARG A CA 1 ATOM 3789 C C . ARG A 1 467 ? 8.402 -0.918 -9.743 1.00 16.63 ? 467 ARG A C 1 ATOM 3790 O O . ARG A 1 467 ? 9.349 -1.697 -9.870 1.00 16.63 ? 467 ARG A O 1 ATOM 3791 C CB . ARG A 1 467 ? 6.846 -0.446 -11.657 1.00 16.74 ? 467 ARG A CB 1 ATOM 3792 C CG . ARG A 1 467 ? 5.633 -0.917 -12.463 1.00 16.92 ? 467 ARG A CG 1 ATOM 3793 C CD . ARG A 1 467 ? 6.058 -1.953 -13.499 1.00 17.10 ? 467 ARG A CD 1 ATOM 3794 N NE . ARG A 1 467 ? 6.398 -1.316 -14.771 1.00 17.47 ? 467 ARG A NE 1 ATOM 3795 C CZ . ARG A 1 467 ? 7.031 -1.901 -15.792 1.00 17.78 ? 467 ARG A CZ 1 ATOM 3796 N NH1 . ARG A 1 467 ? 7.430 -3.165 -15.706 1.00 17.65 ? 467 ARG A NH1 1 ATOM 3797 N NH2 . ARG A 1 467 ? 7.291 -1.196 -16.900 1.00 17.65 ? 467 ARG A NH2 1 ATOM 3798 N N . THR A 1 468 ? 8.479 0.210 -9.038 1.00 16.64 ? 468 THR A N 1 ATOM 3799 C CA . THR A 1 468 ? 9.704 0.571 -8.334 1.00 16.88 ? 468 THR A CA 1 ATOM 3800 C C . THR A 1 468 ? 9.931 -0.302 -7.094 1.00 16.99 ? 468 THR A C 1 ATOM 3801 O O . THR A 1 468 ? 11.060 -0.748 -6.848 1.00 17.29 ? 468 THR A O 1 ATOM 3802 C CB . THR A 1 468 ? 9.707 2.073 -7.962 1.00 17.54 ? 468 THR A CB 1 ATOM 3803 O OG1 . THR A 1 468 ? 9.550 2.836 -9.163 1.00 18.46 ? 468 THR A OG1 1 ATOM 3804 C CG2 . THR A 1 468 ? 11.034 2.471 -7.298 1.00 17.98 ? 468 THR A CG2 1 ATOM 3805 N N . LYS A 1 469 ? 8.879 -0.526 -6.303 1.00 16.56 ? 469 LYS A N 1 ATOM 3806 C CA . LYS A 1 469 ? 9.004 -1.337 -5.089 1.00 16.65 ? 469 LYS A CA 1 ATOM 3807 C C . LYS A 1 469 ? 9.564 -2.735 -5.367 1.00 16.59 ? 469 LYS A C 1 ATOM 3808 O O . LYS A 1 469 ? 10.442 -3.204 -4.668 1.00 15.80 ? 469 LYS A O 1 ATOM 3809 C CB . LYS A 1 469 ? 7.663 -1.482 -4.378 1.00 16.85 ? 469 LYS A CB 1 ATOM 3810 C CG . LYS A 1 469 ? 7.694 -2.480 -3.227 1.00 17.43 ? 469 LYS A CG 1 ATOM 3811 C CD . LYS A 1 469 ? 6.336 -2.643 -2.567 1.00 17.56 ? 469 LYS A CD 1 ATOM 3812 C CE . LYS A 1 469 ? 6.449 -3.622 -1.408 1.00 18.22 ? 469 LYS A CE 1 ATOM 3813 N NZ . LYS A 1 469 ? 5.222 -3.664 -0.572 1.00 18.58 ? 469 LYS A NZ 1 ATOM 3814 N N . TYR A 1 470 ? 9.018 -3.399 -6.379 1.00 16.92 ? 470 TYR A N 1 ATOM 3815 C CA . TYR A 1 470 ? 9.364 -4.785 -6.652 1.00 17.43 ? 470 TYR A CA 1 ATOM 3816 C C . TYR A 1 470 ? 10.463 -4.931 -7.689 1.00 17.13 ? 470 TYR A C 1 ATOM 3817 O O . TYR A 1 470 ? 11.444 -5.656 -7.457 1.00 17.88 ? 470 TYR A O 1 ATOM 3818 C CB . TYR A 1 470 ? 8.111 -5.564 -7.085 1.00 17.41 ? 470 TYR A CB 1 ATOM 3819 C CG . TYR A 1 470 ? 7.209 -5.877 -5.918 1.00 18.46 ? 470 TYR A CG 1 ATOM 3820 C CD1 . TYR A 1 470 ? 7.567 -6.861 -4.999 1.00 18.43 ? 470 TYR A CD1 1 ATOM 3821 C CD2 . TYR A 1 470 ? 5.994 -5.191 -5.731 1.00 18.39 ? 470 TYR A CD2 1 ATOM 3822 C CE1 . TYR A 1 470 ? 6.759 -7.150 -3.912 1.00 19.35 ? 470 TYR A CE1 1 ATOM 3823 C CE2 . TYR A 1 470 ? 5.169 -5.479 -4.647 1.00 18.76 ? 470 TYR A CE2 1 ATOM 3824 C CZ . TYR A 1 470 ? 5.555 -6.463 -3.746 1.00 19.11 ? 470 TYR A CZ 1 ATOM 3825 O OH . TYR A 1 470 ? 4.764 -6.770 -2.666 1.00 19.44 ? 470 TYR A OH 1 ATOM 3826 N N . GLN A 1 471 ? 10.322 -4.246 -8.817 1.00 16.90 ? 471 GLN A N 1 ATOM 3827 C CA . GLN A 1 471 ? 11.278 -4.420 -9.912 1.00 17.01 ? 471 GLN A CA 1 ATOM 3828 C C . GLN A 1 471 ? 12.498 -3.519 -9.784 1.00 17.72 ? 471 GLN A C 1 ATOM 3829 O O . GLN A 1 471 ? 13.539 -3.801 -10.377 1.00 18.62 ? 471 GLN A O 1 ATOM 3830 C CB . GLN A 1 471 ? 10.618 -4.219 -11.277 1.00 17.11 ? 471 GLN A CB 1 ATOM 3831 C CG . GLN A 1 471 ? 9.767 -5.396 -11.751 1.00 17.21 ? 471 GLN A CG 1 ATOM 3832 C CD . GLN A 1 471 ? 9.256 -5.170 -13.152 1.00 17.82 ? 471 GLN A CD 1 ATOM 3833 O OE1 . GLN A 1 471 ? 9.820 -5.675 -14.136 1.00 18.73 ? 471 GLN A OE1 1 ATOM 3834 N NE2 . GLN A 1 471 ? 8.210 -4.380 -13.267 1.00 17.39 ? 471 GLN A NE2 1 ATOM 3835 N N . GLY A 1 472 ? 12.384 -2.424 -9.036 1.00 17.98 ? 472 GLY A N 1 ATOM 3836 C CA . GLY A 1 472 ? 13.543 -1.520 -8.897 1.00 17.97 ? 472 GLY A CA 1 ATOM 3837 C C . GLY A 1 472 ? 13.853 -0.861 -10.227 1.00 18.50 ? 472 GLY A C 1 ATOM 3838 O O . GLY A 1 472 ? 15.022 -0.732 -10.637 1.00 19.00 ? 472 GLY A O 1 ATOM 3839 N N . ILE A 1 473 ? 12.789 -0.453 -10.910 1.00 18.44 ? 473 ILE A N 1 ATOM 3840 C CA . ILE A 1 473 ? 12.899 0.300 -12.155 1.00 19.22 ? 473 ILE A CA 1 ATOM 3841 C C . ILE A 1 473 ? 12.130 1.635 -12.081 1.00 19.99 ? 473 ILE A C 1 ATOM 3842 O O . ILE A 1 473 ? 11.282 1.846 -11.198 1.00 20.34 ? 473 ILE A O 1 ATOM 3843 C CB . ILE A 1 473 ? 12.422 -0.527 -13.371 1.00 18.74 ? 473 ILE A CB 1 ATOM 3844 C CG1 . ILE A 1 473 ? 10.952 -0.924 -13.200 1.00 18.45 ? 473 ILE A CG1 1 ATOM 3845 C CG2 . ILE A 1 473 ? 13.345 -1.734 -13.585 1.00 18.69 ? 473 ILE A CG2 1 ATOM 3846 C CD1 . ILE A 1 473 ? 10.329 -1.646 -14.387 1.00 17.68 ? 473 ILE A CD1 1 ATOM 3847 N N . CYS A 1 474 ? 12.437 2.527 -13.013 1.00 20.55 ? 474 CYS A N 1 ATOM 3848 C CA . CYS A 1 474 ? 11.799 3.841 -13.069 1.00 21.52 ? 474 CYS A CA 1 ATOM 3849 C C . CYS A 1 474 ? 11.485 4.169 -14.523 1.00 22.09 ? 474 CYS A C 1 ATOM 3850 O O . CYS A 1 474 ? 12.199 3.700 -15.429 1.00 22.77 ? 474 CYS A O 1 ATOM 3851 C CB . CYS A 1 474 ? 12.733 4.905 -12.466 1.00 22.40 ? 474 CYS A CB 1 ATOM 3852 S SG . CYS A 1 474 ? 14.328 5.067 -13.320 1.00 23.87 ? 474 CYS A SG 1 ATOM 3853 N N . PRO A 1 475 ? 10.423 4.971 -14.760 1.00 22.14 ? 475 PRO A N 1 ATOM 3854 C CA . PRO A 1 475 ? 10.085 5.349 -16.128 1.00 22.31 ? 475 PRO A CA 1 ATOM 3855 C C . PRO A 1 475 ? 11.146 6.300 -16.662 1.00 23.49 ? 475 PRO A C 1 ATOM 3856 O O . PRO A 1 475 ? 11.606 7.164 -15.914 1.00 23.65 ? 475 PRO A O 1 ATOM 3857 C CB . PRO A 1 475 ? 8.733 6.060 -15.989 1.00 22.21 ? 475 PRO A CB 1 ATOM 3858 C CG . PRO A 1 475 ? 8.623 6.479 -14.560 1.00 21.74 ? 475 PRO A CG 1 ATOM 3859 C CD . PRO A 1 475 ? 9.553 5.626 -13.750 1.00 21.76 ? 475 PRO A CD 1 ATOM 3860 N N . PRO A 1 476 ? 11.569 6.114 -17.927 1.00 24.09 ? 476 PRO A N 1 ATOM 3861 C CA . PRO A 1 476 ? 12.646 6.939 -18.481 1.00 25.08 ? 476 PRO A CA 1 ATOM 3862 C C . PRO A 1 476 ? 12.191 8.335 -18.917 1.00 26.34 ? 476 PRO A C 1 ATOM 3863 O O . PRO A 1 476 ? 13.029 9.167 -19.259 1.00 27.78 ? 476 PRO A O 1 ATOM 3864 C CB . PRO A 1 476 ? 13.132 6.123 -19.679 1.00 24.71 ? 476 PRO A CB 1 ATOM 3865 C CG . PRO A 1 476 ? 11.958 5.300 -20.090 1.00 24.49 ? 476 PRO A CG 1 ATOM 3866 C CD . PRO A 1 476 ? 11.149 5.043 -18.853 1.00 23.80 ? 476 PRO A CD 1 ATOM 3867 N N . VAL A 1 477 ? 10.879 8.572 -18.931 1.00 26.31 ? 477 VAL A N 1 ATOM 3868 C CA . VAL A 1 477 ? 10.318 9.918 -19.069 1.00 26.61 ? 477 VAL A CA 1 ATOM 3869 C C . VAL A 1 477 ? 9.272 10.122 -17.980 1.00 26.07 ? 477 VAL A C 1 ATOM 3870 O O . VAL A 1 477 ? 8.788 9.151 -17.377 1.00 25.72 ? 477 VAL A O 1 ATOM 3871 C CB . VAL A 1 477 ? 9.669 10.184 -20.452 1.00 27.60 ? 477 VAL A CB 1 ATOM 3872 C CG1 . VAL A 1 477 ? 10.712 10.210 -21.564 1.00 27.44 ? 477 VAL A CG1 1 ATOM 3873 C CG2 . VAL A 1 477 ? 8.554 9.180 -20.743 1.00 26.48 ? 477 VAL A CG2 1 ATOM 3874 N N . THR A 1 478 ? 8.924 11.380 -17.729 1.00 25.85 ? 478 THR A N 1 ATOM 3875 C CA . THR A 1 478 ? 7.925 11.719 -16.721 1.00 24.92 ? 478 THR A CA 1 ATOM 3876 C C . THR A 1 478 ? 6.570 11.156 -17.128 1.00 23.91 ? 478 THR A C 1 ATOM 3877 O O . THR A 1 478 ? 6.200 11.198 -18.300 1.00 23.62 ? 478 THR A O 1 ATOM 3878 C CB . THR A 1 478 ? 7.809 13.244 -16.548 1.00 26.14 ? 478 THR A CB 1 ATOM 3879 O OG1 . THR A 1 478 ? 9.122 13.801 -16.366 1.00 28.55 ? 478 THR A OG1 1 ATOM 3880 C CG2 . THR A 1 478 ? 6.937 13.597 -15.350 1.00 25.27 ? 478 THR A CG2 1 ATOM 3881 N N . ARG A 1 479 ? 5.851 10.608 -16.153 1.00 23.22 ? 479 ARG A N 1 ATOM 3882 C CA . ARG A 1 479 ? 4.492 10.119 -16.358 1.00 23.18 ? 479 ARG A CA 1 ATOM 3883 C C . ARG A 1 479 ? 3.573 10.887 -15.426 1.00 23.72 ? 479 ARG A C 1 ATOM 3884 O O . ARG A 1 479 ? 4.022 11.410 -14.418 1.00 24.49 ? 479 ARG A O 1 ATOM 3885 C CB . ARG A 1 479 ? 4.396 8.621 -16.044 1.00 22.31 ? 479 ARG A CB 1 ATOM 3886 C CG . ARG A 1 479 ? 5.553 7.770 -16.573 1.00 22.33 ? 479 ARG A CG 1 ATOM 3887 C CD . ARG A 1 479 ? 5.700 7.878 -18.082 1.00 21.75 ? 479 ARG A CD 1 ATOM 3888 N NE . ARG A 1 479 ? 4.664 7.168 -18.833 1.00 21.75 ? 479 ARG A NE 1 ATOM 3889 C CZ . ARG A 1 479 ? 4.288 7.490 -20.068 1.00 21.70 ? 479 ARG A CZ 1 ATOM 3890 N NH1 . ARG A 1 479 ? 4.835 8.537 -20.680 1.00 22.35 ? 479 ARG A NH1 1 ATOM 3891 N NH2 . ARG A 1 479 ? 3.365 6.772 -20.699 1.00 21.37 ? 479 ARG A NH2 1 ATOM 3892 N N . ASN A 1 480 ? 2.292 10.948 -15.768 1.00 24.28 ? 480 ASN A N 1 ATOM 3893 C CA . ASN A 1 480 ? 1.281 11.563 -14.917 1.00 24.41 ? 480 ASN A CA 1 ATOM 3894 C C . ASN A 1 480 ? 0.003 10.739 -15.092 1.00 23.82 ? 480 ASN A C 1 ATOM 3895 O O . ASN A 1 480 ? 0.052 9.719 -15.777 1.00 22.46 ? 480 ASN A O 1 ATOM 3896 C CB . ASN A 1 480 ? 1.113 13.060 -15.245 1.00 26.78 ? 480 ASN A CB 1 ATOM 3897 C CG . ASN A 1 480 ? 0.628 13.316 -16.670 1.00 28.87 ? 480 ASN A CG 1 ATOM 3898 O OD1 . ASN A 1 480 ? -0.193 12.569 -17.200 1.00 27.47 ? 480 ASN A OD1 1 ATOM 3899 N ND2 . ASN A 1 480 ? 1.128 14.392 -17.288 1.00 32.61 ? 480 ASN A ND2 1 ATOM 3900 N N . GLU A 1 481 ? -1.120 11.156 -14.499 1.00 22.93 ? 481 GLU A N 1 ATOM 3901 C CA . GLU A 1 481 ? -2.332 10.315 -14.494 1.00 22.84 ? 481 GLU A CA 1 ATOM 3902 C C . GLU A 1 481 ? -3.125 10.280 -15.801 1.00 22.44 ? 481 GLU A C 1 ATOM 3903 O O . GLU A 1 481 ? -4.116 9.561 -15.918 1.00 22.05 ? 481 GLU A O 1 ATOM 3904 C CB . GLU A 1 481 ? -3.257 10.662 -13.321 1.00 23.07 ? 481 GLU A CB 1 ATOM 3905 C CG . GLU A 1 481 ? -2.754 10.198 -11.970 1.00 23.97 ? 481 GLU A CG 1 ATOM 3906 C CD . GLU A 1 481 ? -2.532 8.693 -11.852 1.00 23.96 ? 481 GLU A CD 1 ATOM 3907 O OE1 . GLU A 1 481 ? -3.114 7.894 -12.614 1.00 24.76 ? 481 GLU A OE1 1 ATOM 3908 O OE2 . GLU A 1 481 ? -1.758 8.303 -10.971 1.00 24.23 ? 481 GLU A OE2 1 ATOM 3909 N N . THR A 1 482 ? -2.681 11.045 -16.783 1.00 22.83 ? 482 THR A N 1 ATOM 3910 C CA . THR A 1 482 ? -3.198 10.917 -18.144 1.00 23.75 ? 482 THR A CA 1 ATOM 3911 C C . THR A 1 482 ? -2.636 9.633 -18.781 1.00 22.63 ? 482 THR A C 1 ATOM 3912 O O . THR A 1 482 ? -3.313 8.969 -19.561 1.00 21.99 ? 482 THR A O 1 ATOM 3913 C CB . THR A 1 482 ? -2.853 12.187 -18.945 1.00 25.65 ? 482 THR A CB 1 ATOM 3914 O OG1 . THR A 1 482 ? -3.484 13.307 -18.299 1.00 26.57 ? 482 THR A OG1 1 ATOM 3915 C CG2 . THR A 1 482 ? -3.318 12.101 -20.391 1.00 26.39 ? 482 THR A CG2 1 ATOM 3916 N N . HIS A 1 483 ? -1.405 9.281 -18.424 1.00 21.34 ? 483 HIS A N 1 ATOM 3917 C CA . HIS A 1 483 ? -0.828 7.992 -18.803 1.00 21.39 ? 483 HIS A CA 1 ATOM 3918 C C . HIS A 1 483 ? -1.442 6.852 -18.008 1.00 21.01 ? 483 HIS A C 1 ATOM 3919 O O . HIS A 1 483 ? -1.878 7.033 -16.868 1.00 20.74 ? 483 HIS A O 1 ATOM 3920 C CB . HIS A 1 483 ? 0.689 8.006 -18.634 1.00 22.17 ? 483 HIS A CB 1 ATOM 3921 C CG . HIS A 1 483 ? 1.339 9.146 -19.350 1.00 22.96 ? 483 HIS A CG 1 ATOM 3922 N ND1 . HIS A 1 483 ? 1.935 10.198 -18.690 1.00 23.29 ? 483 HIS A ND1 1 ATOM 3923 C CD2 . HIS A 1 483 ? 1.414 9.435 -20.670 1.00 23.21 ? 483 HIS A CD2 1 ATOM 3924 C CE1 . HIS A 1 483 ? 2.390 11.066 -19.576 1.00 24.23 ? 483 HIS A CE1 1 ATOM 3925 N NE2 . HIS A 1 483 ? 2.094 10.620 -20.785 1.00 24.34 ? 483 HIS A NE2 1 ATOM 3926 N N . PHE A 1 484 ? -1.490 5.690 -18.644 1.00 19.95 ? 484 PHE A N 1 ATOM 3927 C CA . PHE A 1 484 ? -2.086 4.508 -18.071 1.00 19.16 ? 484 PHE A CA 1 ATOM 3928 C C . PHE A 1 484 ? -1.178 3.363 -18.478 1.00 18.94 ? 484 PHE A C 1 ATOM 3929 O O . PHE A 1 484 ? -1.502 2.537 -19.347 1.00 18.56 ? 484 PHE A O 1 ATOM 3930 C CB . PHE A 1 484 ? -3.522 4.340 -18.585 1.00 19.47 ? 484 PHE A CB 1 ATOM 3931 C CG . PHE A 1 484 ? -4.206 3.095 -18.098 1.00 19.42 ? 484 PHE A CG 1 ATOM 3932 C CD1 . PHE A 1 484 ? -4.039 2.643 -16.784 1.00 19.78 ? 484 PHE A CD1 1 ATOM 3933 C CD2 . PHE A 1 484 ? -5.037 2.379 -18.947 1.00 19.58 ? 484 PHE A CD2 1 ATOM 3934 C CE1 . PHE A 1 484 ? -4.682 1.493 -16.338 1.00 19.43 ? 484 PHE A CE1 1 ATOM 3935 C CE2 . PHE A 1 484 ? -5.688 1.237 -18.502 1.00 19.31 ? 484 PHE A CE2 1 ATOM 3936 C CZ . PHE A 1 484 ? -5.509 0.787 -17.200 1.00 19.03 ? 484 PHE A CZ 1 ATOM 3937 N N . ASP A 1 485 ? -0.017 3.333 -17.836 1.00 18.55 ? 485 ASP A N 1 ATOM 3938 C CA . ASP A 1 485 ? 1.037 2.406 -18.214 1.00 18.25 ? 485 ASP A CA 1 ATOM 3939 C C . ASP A 1 485 ? 0.694 0.931 -17.997 1.00 18.35 ? 485 ASP A C 1 ATOM 3940 O O . ASP A 1 485 ? 1.117 0.096 -18.789 1.00 17.52 ? 485 ASP A O 1 ATOM 3941 C CB . ASP A 1 485 ? 2.366 2.833 -17.571 1.00 18.31 ? 485 ASP A CB 1 ATOM 3942 C CG . ASP A 1 485 ? 2.831 4.189 -18.091 1.00 18.88 ? 485 ASP A CG 1 ATOM 3943 O OD1 . ASP A 1 485 ? 2.515 4.491 -19.269 1.00 19.40 ? 485 ASP A OD1 1 ATOM 3944 O OD2 . ASP A 1 485 ? 3.481 4.960 -17.344 1.00 19.19 ? 485 ASP A OD2 1 ATOM 3945 N N . ALA A 1 486 ? -0.112 0.614 -16.977 1.00 17.98 ? 486 ALA A N 1 ATOM 3946 C CA . ALA A 1 486 ? -0.625 -0.768 -16.830 1.00 17.66 ? 486 ALA A CA 1 ATOM 3947 C C . ALA A 1 486 ? -1.383 -1.251 -18.081 1.00 17.61 ? 486 ALA A C 1 ATOM 3948 O O . ALA A 1 486 ? -1.354 -2.441 -18.429 1.00 17.77 ? 486 ALA A O 1 ATOM 3949 C CB . ALA A 1 486 ? -1.510 -0.886 -15.594 1.00 17.75 ? 486 ALA A CB 1 ATOM 3950 N N . GLY A 1 487 ? -2.071 -0.326 -18.739 1.00 17.49 ? 487 GLY A N 1 ATOM 3951 C CA . GLY A 1 487 ? -2.854 -0.617 -19.940 1.00 17.54 ? 487 GLY A CA 1 ATOM 3952 C C . GLY A 1 487 ? -2.011 -1.027 -21.132 1.00 17.42 ? 487 GLY A C 1 ATOM 3953 O O . GLY A 1 487 ? -2.525 -1.641 -22.070 1.00 17.46 ? 487 GLY A O 1 ATOM 3954 N N . ALA A 1 488 ? -0.720 -0.705 -21.086 1.00 17.35 ? 488 ALA A N 1 ATOM 3955 C CA . ALA A 1 488 ? 0.210 -1.020 -22.169 1.00 17.80 ? 488 ALA A CA 1 ATOM 3956 C C . ALA A 1 488 ? 0.805 -2.427 -22.053 1.00 18.07 ? 488 ALA A C 1 ATOM 3957 O O . ALA A 1 488 ? 1.729 -2.798 -22.803 1.00 18.54 ? 488 ALA A O 1 ATOM 3958 C CB . ALA A 1 488 ? 1.308 0.023 -22.227 1.00 17.41 ? 488 ALA A CB 1 ATOM 3959 N N . LYS A 1 489 ? 0.277 -3.193 -21.103 1.00 18.30 ? 489 LYS A N 1 ATOM 3960 C CA . LYS A 1 489 ? 0.577 -4.606 -20.951 1.00 18.32 ? 489 LYS A CA 1 ATOM 3961 C C . LYS A 1 489 ? -0.657 -5.418 -21.362 1.00 18.20 ? 489 LYS A C 1 ATOM 3962 O O . LYS A 1 489 ? -1.748 -5.204 -20.817 1.00 18.30 ? 489 LYS A O 1 ATOM 3963 C CB . LYS A 1 489 ? 0.953 -4.910 -19.497 1.00 18.45 ? 489 LYS A CB 1 ATOM 3964 C CG . LYS A 1 489 ? 1.217 -6.384 -19.200 1.00 19.53 ? 489 LYS A CG 1 ATOM 3965 C CD . LYS A 1 489 ? 2.526 -6.882 -19.823 1.00 19.93 ? 489 LYS A CD 1 ATOM 3966 C CE . LYS A 1 489 ? 2.629 -8.401 -19.670 1.00 20.03 ? 489 LYS A CE 1 ATOM 3967 N NZ . LYS A 1 489 ? 3.546 -9.010 -20.672 1.00 19.82 ? 489 LYS A NZ 1 ATOM 3968 N N . PHE A 1 490 ? -0.463 -6.370 -22.274 1.00 17.50 ? 490 PHE A N 1 ATOM 3969 C CA . PHE A 1 490 ? -1.562 -7.158 -22.881 1.00 17.43 ? 490 PHE A CA 1 ATOM 3970 C C . PHE A 1 490 ? -2.706 -7.550 -21.961 1.00 16.91 ? 490 PHE A C 1 ATOM 3971 O O . PHE A 1 490 ? -3.878 -7.350 -22.283 1.00 16.86 ? 490 PHE A O 1 ATOM 3972 C CB . PHE A 1 490 ? -1.020 -8.430 -23.546 1.00 17.45 ? 490 PHE A CB 1 ATOM 3973 C CG . PHE A 1 490 ? -2.100 -9.333 -24.091 1.00 17.59 ? 490 PHE A CG 1 ATOM 3974 C CD1 . PHE A 1 490 ? -2.603 -9.141 -25.376 1.00 17.92 ? 490 PHE A CD1 1 ATOM 3975 C CD2 . PHE A 1 490 ? -2.626 -10.359 -23.311 1.00 17.59 ? 490 PHE A CD2 1 ATOM 3976 C CE1 . PHE A 1 490 ? -3.599 -9.963 -25.882 1.00 18.05 ? 490 PHE A CE1 1 ATOM 3977 C CE2 . PHE A 1 490 ? -3.635 -11.182 -23.808 1.00 17.44 ? 490 PHE A CE2 1 ATOM 3978 C CZ . PHE A 1 490 ? -4.121 -10.973 -25.088 1.00 17.59 ? 490 PHE A CZ 1 ATOM 3979 N N . HIS A 1 491 ? -2.347 -8.158 -20.844 1.00 16.52 ? 491 HIS A N 1 ATOM 3980 C CA . HIS A 1 491 ? -3.291 -8.871 -20.001 1.00 16.76 ? 491 HIS A CA 1 ATOM 3981 C C . HIS A 1 491 ? -4.282 -7.941 -19.317 1.00 16.80 ? 491 HIS A C 1 ATOM 3982 O O . HIS A 1 491 ? -5.359 -8.369 -18.928 1.00 16.55 ? 491 HIS A O 1 ATOM 3983 C CB . HIS A 1 491 ? -2.523 -9.686 -18.961 1.00 16.75 ? 491 HIS A CB 1 ATOM 3984 C CG . HIS A 1 491 ? -1.570 -10.668 -19.565 1.00 17.07 ? 491 HIS A CG 1 ATOM 3985 N ND1 . HIS A 1 491 ? -1.810 -12.028 -19.579 1.00 17.79 ? 491 HIS A ND1 1 ATOM 3986 C CD2 . HIS A 1 491 ? -0.394 -10.485 -20.201 1.00 16.65 ? 491 HIS A CD2 1 ATOM 3987 C CE1 . HIS A 1 491 ? -0.813 -12.639 -20.193 1.00 17.53 ? 491 HIS A CE1 1 ATOM 3988 N NE2 . HIS A 1 491 ? 0.065 -11.727 -20.570 1.00 17.61 ? 491 HIS A NE2 1 ATOM 3989 N N . VAL A 1 492 ? -3.913 -6.669 -19.193 1.00 16.59 ? 492 VAL A N 1 ATOM 3990 C CA . VAL A 1 492 ? -4.784 -5.675 -18.532 1.00 17.17 ? 492 VAL A CA 1 ATOM 3991 C C . VAL A 1 492 ? -6.027 -5.332 -19.393 1.00 17.37 ? 492 VAL A C 1 ATOM 3992 O O . VAL A 1 492 ? -7.147 -5.621 -18.968 1.00 17.01 ? 492 VAL A O 1 ATOM 3993 C CB . VAL A 1 492 ? -3.980 -4.437 -18.045 1.00 16.83 ? 492 VAL A CB 1 ATOM 3994 C CG1 . VAL A 1 492 ? -4.905 -3.347 -17.505 1.00 16.84 ? 492 VAL A CG1 1 ATOM 3995 C CG2 . VAL A 1 492 ? -2.951 -4.865 -17.000 1.00 16.21 ? 492 VAL A CG2 1 ATOM 3996 N N . PRO A 1 493 ? -5.845 -4.760 -20.604 1.00 18.24 ? 493 PRO A N 1 ATOM 3997 C CA . PRO A 1 493 ? -7.034 -4.559 -21.459 1.00 18.73 ? 493 PRO A CA 1 ATOM 3998 C C . PRO A 1 493 ? -7.708 -5.856 -21.918 1.00 19.25 ? 493 PRO A C 1 ATOM 3999 O O . PRO A 1 493 ? -8.906 -5.842 -22.269 1.00 19.82 ? 493 PRO A O 1 ATOM 4000 C CB . PRO A 1 493 ? -6.474 -3.788 -22.667 1.00 19.30 ? 493 PRO A CB 1 ATOM 4001 C CG . PRO A 1 493 ? -5.014 -4.117 -22.687 1.00 19.11 ? 493 PRO A CG 1 ATOM 4002 C CD . PRO A 1 493 ? -4.638 -4.182 -21.230 1.00 18.52 ? 493 PRO A CD 1 ATOM 4003 N N . ASN A 1 494 ? -6.975 -6.967 -21.913 1.00 19.22 ? 494 ASN A N 1 ATOM 4004 C CA . ASN A 1 494 ? -7.582 -8.270 -22.254 1.00 19.72 ? 494 ASN A CA 1 ATOM 4005 C C . ASN A 1 494 ? -8.154 -9.027 -21.059 1.00 19.65 ? 494 ASN A C 1 ATOM 4006 O O . ASN A 1 494 ? -8.518 -10.201 -21.161 1.00 19.06 ? 494 ASN A O 1 ATOM 4007 C CB . ASN A 1 494 ? -6.617 -9.131 -23.073 1.00 19.94 ? 494 ASN A CB 1 ATOM 4008 C CG . ASN A 1 494 ? -6.437 -8.588 -24.472 1.00 20.39 ? 494 ASN A CG 1 ATOM 4009 O OD1 . ASN A 1 494 ? -7.213 -8.915 -25.376 1.00 22.01 ? 494 ASN A OD1 1 ATOM 4010 N ND2 . ASN A 1 494 ? -5.464 -7.699 -24.646 1.00 20.07 ? 494 ASN A ND2 1 ATOM 4011 N N . VAL A 1 495 ? -8.213 -8.327 -19.928 1.00 20.16 ? 495 VAL A N 1 ATOM 4012 C CA . VAL A 1 495 ? -8.941 -8.738 -18.721 1.00 20.66 ? 495 VAL A CA 1 ATOM 4013 C C . VAL A 1 495 ? -8.725 -10.194 -18.325 1.00 21.13 ? 495 VAL A C 1 ATOM 4014 O O . VAL A 1 495 ? -9.672 -10.934 -18.027 1.00 22.25 ? 495 VAL A O 1 ATOM 4015 C CB . VAL A 1 495 ? -10.441 -8.328 -18.772 1.00 21.41 ? 495 VAL A CB 1 ATOM 4016 C CG1 . VAL A 1 495 ? -10.549 -6.851 -19.110 1.00 21.85 ? 495 VAL A CG1 1 ATOM 4017 C CG2 . VAL A 1 495 ? -11.242 -9.153 -19.773 1.00 21.63 ? 495 VAL A CG2 1 ATOM 4018 N N . THR A 1 496 ? -7.457 -10.586 -18.307 1.00 19.90 ? 496 THR A N 1 ATOM 4019 C CA . THR A 1 496 ? -7.075 -11.945 -17.979 1.00 19.07 ? 496 THR A CA 1 ATOM 4020 C C . THR A 1 496 ? -6.006 -11.883 -16.878 1.00 17.77 ? 496 THR A C 1 ATOM 4021 O O . THR A 1 496 ? -5.122 -11.024 -16.931 1.00 17.71 ? 496 THR A O 1 ATOM 4022 C CB . THR A 1 496 ? -6.662 -12.739 -19.256 1.00 20.10 ? 496 THR A CB 1 ATOM 4023 O OG1 . THR A 1 496 ? -6.376 -14.104 -18.926 1.00 20.05 ? 496 THR A OG1 1 ATOM 4024 C CG2 . THR A 1 496 ? -5.468 -12.100 -19.976 1.00 19.48 ? 496 THR A CG2 1 ATOM 4025 N N . PRO A 1 497 ? -6.130 -12.748 -15.849 1.00 16.98 ? 497 PRO A N 1 ATOM 4026 C CA . PRO A 1 497 ? -5.338 -12.634 -14.618 1.00 16.58 ? 497 PRO A CA 1 ATOM 4027 C C . PRO A 1 497 ? -3.856 -12.940 -14.813 1.00 16.16 ? 497 PRO A C 1 ATOM 4028 O O . PRO A 1 497 ? -3.469 -13.617 -15.787 1.00 15.69 ? 497 PRO A O 1 ATOM 4029 C CB . PRO A 1 497 ? -5.988 -13.647 -13.668 1.00 16.85 ? 497 PRO A CB 1 ATOM 4030 C CG . PRO A 1 497 ? -7.351 -13.917 -14.249 1.00 16.98 ? 497 PRO A CG 1 ATOM 4031 C CD . PRO A 1 497 ? -7.172 -13.789 -15.735 1.00 17.13 ? 497 PRO A CD 1 ATOM 4032 N N . TYR A 1 498 ? -3.037 -12.385 -13.919 1.00 15.21 ? 498 TYR A N 1 ATOM 4033 C CA . TYR A 1 498 ? -1.592 -12.485 -14.030 1.00 15.32 ? 498 TYR A CA 1 ATOM 4034 C C . TYR A 1 498 ? -0.922 -13.364 -12.971 1.00 15.27 ? 498 TYR A C 1 ATOM 4035 O O . TYR A 1 498 ? 0.157 -13.909 -13.226 1.00 15.35 ? 498 TYR A O 1 ATOM 4036 C CB . TYR A 1 498 ? -0.941 -11.078 -14.032 1.00 14.92 ? 498 TYR A CB 1 ATOM 4037 C CG . TYR A 1 498 ? 0.258 -11.040 -14.945 1.00 14.94 ? 498 TYR A CG 1 ATOM 4038 C CD1 . TYR A 1 498 ? 0.091 -11.022 -16.333 1.00 14.86 ? 498 TYR A CD1 1 ATOM 4039 C CD2 . TYR A 1 498 ? 1.563 -11.043 -14.426 1.00 14.54 ? 498 TYR A CD2 1 ATOM 4040 C CE1 . TYR A 1 498 ? 1.183 -11.013 -17.192 1.00 14.74 ? 498 TYR A CE1 1 ATOM 4041 C CE2 . TYR A 1 498 ? 2.667 -11.031 -15.281 1.00 14.66 ? 498 TYR A CE2 1 ATOM 4042 C CZ . TYR A 1 498 ? 2.470 -11.020 -16.651 1.00 14.47 ? 498 TYR A CZ 1 ATOM 4043 O OH . TYR A 1 498 ? 3.545 -11.013 -17.500 1.00 14.64 ? 498 TYR A OH 1 ATOM 4044 N N . ILE A 1 499 ? -1.545 -13.515 -11.792 1.00 15.15 ? 499 ILE A N 1 ATOM 4045 C CA . ILE A 1 499 ? -0.875 -14.195 -10.669 1.00 14.97 ? 499 ILE A CA 1 ATOM 4046 C C . ILE A 1 499 ? -0.521 -15.652 -11.019 1.00 15.03 ? 499 ILE A C 1 ATOM 4047 O O . ILE A 1 499 ? 0.437 -16.215 -10.472 1.00 14.93 ? 499 ILE A O 1 ATOM 4048 C CB . ILE A 1 499 ? -1.667 -14.080 -9.320 1.00 14.65 ? 499 ILE A CB 1 ATOM 4049 C CG1 . ILE A 1 499 ? -0.776 -14.375 -8.085 1.00 14.71 ? 499 ILE A CG1 1 ATOM 4050 C CG2 . ILE A 1 499 ? -2.903 -14.962 -9.349 1.00 14.50 ? 499 ILE A CG2 1 ATOM 4051 C CD1 . ILE A 1 499 ? 0.332 -13.350 -7.842 1.00 14.93 ? 499 ILE A CD1 1 ATOM 4052 N N . ARG A 1 500 ? -1.282 -16.233 -11.944 1.00 15.31 ? 500 ARG A N 1 ATOM 4053 C CA . ARG A 1 500 ? -1.010 -17.568 -12.505 1.00 15.65 ? 500 ARG A CA 1 ATOM 4054 C C . ARG A 1 500 ? 0.450 -17.718 -12.954 1.00 15.49 ? 500 ARG A C 1 ATOM 4055 O O . ARG A 1 500 ? 1.027 -18.809 -12.874 1.00 15.69 ? 500 ARG A O 1 ATOM 4056 C CB . ARG A 1 500 ? -1.950 -17.863 -13.684 1.00 15.53 ? 500 ARG A CB 1 ATOM 4057 C CG . ARG A 1 500 ? -1.898 -16.840 -14.834 1.00 16.13 ? 500 ARG A CG 1 ATOM 4058 C CD . ARG A 1 500 ? -2.952 -17.102 -15.918 1.00 16.26 ? 500 ARG A CD 1 ATOM 4059 N NE . ARG A 1 500 ? -4.294 -17.151 -15.333 1.00 16.39 ? 500 ARG A NE 1 ATOM 4060 C CZ . ARG A 1 500 ? -5.405 -17.461 -16.005 1.00 16.27 ? 500 ARG A CZ 1 ATOM 4061 N NH1 . ARG A 1 500 ? -5.361 -17.751 -17.308 1.00 15.83 ? 500 ARG A NH1 1 ATOM 4062 N NH2 . ARG A 1 500 ? -6.564 -17.497 -15.359 1.00 15.71 ? 500 ARG A NH2 1 ATOM 4063 N N . TYR A 1 501 ? 1.040 -16.632 -13.434 1.00 15.33 ? 501 TYR A N 1 ATOM 4064 C CA . TYR A 1 501 ? 2.413 -16.685 -13.932 1.00 15.74 ? 501 TYR A CA 1 ATOM 4065 C C . TYR A 1 501 ? 3.439 -16.692 -12.797 1.00 16.20 ? 501 TYR A C 1 ATOM 4066 O O . TYR A 1 501 ? 4.456 -17.373 -12.881 1.00 15.65 ? 501 TYR A O 1 ATOM 4067 C CB . TYR A 1 501 ? 2.684 -15.532 -14.889 1.00 15.54 ? 501 TYR A CB 1 ATOM 4068 C CG . TYR A 1 501 ? 1.778 -15.518 -16.103 1.00 16.03 ? 501 TYR A CG 1 ATOM 4069 C CD1 . TYR A 1 501 ? 1.807 -16.575 -17.035 1.00 15.97 ? 501 TYR A CD1 1 ATOM 4070 C CD2 . TYR A 1 501 ? 0.897 -14.462 -16.327 1.00 15.66 ? 501 TYR A CD2 1 ATOM 4071 C CE1 . TYR A 1 501 ? 1.005 -16.549 -18.165 1.00 15.84 ? 501 TYR A CE1 1 ATOM 4072 C CE2 . TYR A 1 501 ? 0.079 -14.435 -17.448 1.00 15.83 ? 501 TYR A CE2 1 ATOM 4073 C CZ . TYR A 1 501 ? 0.149 -15.479 -18.366 1.00 15.84 ? 501 TYR A CZ 1 ATOM 4074 O OH . TYR A 1 501 ? -0.641 -15.470 -19.486 1.00 16.56 ? 501 TYR A OH 1 ATOM 4075 N N . PHE A 1 502 ? 3.159 -15.952 -11.728 1.00 16.37 ? 502 PHE A N 1 ATOM 4076 C CA . PHE A 1 502 ? 3.988 -16.057 -10.522 1.00 16.48 ? 502 PHE A CA 1 ATOM 4077 C C . PHE A 1 502 ? 3.897 -17.456 -9.945 1.00 16.12 ? 502 PHE A C 1 ATOM 4078 O O . PHE A 1 502 ? 4.907 -18.034 -9.566 1.00 17.13 ? 502 PHE A O 1 ATOM 4079 C CB . PHE A 1 502 ? 3.591 -15.035 -9.442 1.00 16.65 ? 502 PHE A CB 1 ATOM 4080 C CG . PHE A 1 502 ? 4.468 -15.088 -8.207 1.00 17.02 ? 502 PHE A CG 1 ATOM 4081 C CD1 . PHE A 1 502 ? 5.725 -14.507 -8.210 1.00 17.15 ? 502 PHE A CD1 1 ATOM 4082 C CD2 . PHE A 1 502 ? 4.024 -15.719 -7.048 1.00 16.99 ? 502 PHE A CD2 1 ATOM 4083 C CE1 . PHE A 1 502 ? 6.537 -14.553 -7.078 1.00 17.48 ? 502 PHE A CE1 1 ATOM 4084 C CE2 . PHE A 1 502 ? 4.820 -15.771 -5.911 1.00 17.27 ? 502 PHE A CE2 1 ATOM 4085 C CZ . PHE A 1 502 ? 6.082 -15.185 -5.926 1.00 17.49 ? 502 PHE A CZ 1 ATOM 4086 N N . VAL A 1 503 ? 2.684 -17.995 -9.871 1.00 16.15 ? 503 VAL A N 1 ATOM 4087 C CA . VAL A 1 503 ? 2.479 -19.354 -9.381 1.00 16.05 ? 503 VAL A CA 1 ATOM 4088 C C . VAL A 1 503 ? 3.207 -20.355 -10.297 1.00 16.43 ? 503 VAL A C 1 ATOM 4089 O O . VAL A 1 503 ? 3.858 -21.280 -9.804 1.00 16.61 ? 503 VAL A O 1 ATOM 4090 C CB . VAL A 1 503 ? 0.973 -19.688 -9.267 1.00 16.27 ? 503 VAL A CB 1 ATOM 4091 C CG1 . VAL A 1 503 ? 0.752 -21.161 -8.941 1.00 15.95 ? 503 VAL A CG1 1 ATOM 4092 C CG2 . VAL A 1 503 ? 0.328 -18.805 -8.205 1.00 16.05 ? 503 VAL A CG2 1 ATOM 4093 N N . SER A 1 504 ? 3.123 -20.134 -11.612 1.00 16.00 ? 504 SER A N 1 ATOM 4094 C CA . SER A 1 504 ? 3.778 -20.995 -12.597 1.00 16.37 ? 504 SER A CA 1 ATOM 4095 C C . SER A 1 504 ? 5.293 -21.049 -12.402 1.00 16.69 ? 504 SER A C 1 ATOM 4096 O O . SER A 1 504 ? 5.914 -22.116 -12.494 1.00 17.59 ? 504 SER A O 1 ATOM 4097 C CB . SER A 1 504 ? 3.490 -20.496 -14.014 1.00 16.60 ? 504 SER A CB 1 ATOM 4098 O OG . SER A 1 504 ? 4.199 -21.285 -14.951 1.00 18.98 ? 504 SER A OG 1 ATOM 4099 N N . PHE A 1 505 ? 5.888 -19.899 -12.130 1.00 16.04 ? 505 PHE A N 1 ATOM 4100 C CA . PHE A 1 505 ? 7.339 -19.832 -12.034 1.00 16.84 ? 505 PHE A CA 1 ATOM 4101 C C . PHE A 1 505 ? 7.905 -20.594 -10.838 1.00 16.97 ? 505 PHE A C 1 ATOM 4102 O O . PHE A 1 505 ? 9.025 -21.094 -10.906 1.00 17.86 ? 505 PHE A O 1 ATOM 4103 C CB . PHE A 1 505 ? 7.808 -18.378 -12.072 1.00 16.48 ? 505 PHE A CB 1 ATOM 4104 C CG . PHE A 1 505 ? 8.068 -17.879 -13.457 1.00 17.15 ? 505 PHE A CG 1 ATOM 4105 C CD1 . PHE A 1 505 ? 7.086 -17.971 -14.454 1.00 17.35 ? 505 PHE A CD1 1 ATOM 4106 C CD2 . PHE A 1 505 ? 9.306 -17.338 -13.779 1.00 16.99 ? 505 PHE A CD2 1 ATOM 4107 C CE1 . PHE A 1 505 ? 7.337 -17.519 -15.748 1.00 17.96 ? 505 PHE A CE1 1 ATOM 4108 C CE2 . PHE A 1 505 ? 9.556 -16.885 -15.060 1.00 17.51 ? 505 PHE A CE2 1 ATOM 4109 C CZ . PHE A 1 505 ? 8.574 -16.982 -16.049 1.00 17.55 ? 505 PHE A CZ 1 ATOM 4110 N N . VAL A 1 506 ? 7.136 -20.676 -9.753 1.00 16.44 ? 506 VAL A N 1 ATOM 4111 C CA . VAL A 1 506 ? 7.519 -21.475 -8.591 1.00 16.46 ? 506 VAL A CA 1 ATOM 4112 C C . VAL A 1 506 ? 7.245 -22.945 -8.907 1.00 16.54 ? 506 VAL A C 1 ATOM 4113 O O . VAL A 1 506 ? 8.088 -23.826 -8.717 1.00 16.13 ? 506 VAL A O 1 ATOM 4114 C CB . VAL A 1 506 ? 6.719 -21.041 -7.341 1.00 16.73 ? 506 VAL A CB 1 ATOM 4115 C CG1 . VAL A 1 506 ? 6.985 -21.971 -6.154 1.00 16.70 ? 506 VAL A CG1 1 ATOM 4116 C CG2 . VAL A 1 506 ? 7.018 -19.585 -7.001 1.00 16.81 ? 506 VAL A CG2 1 ATOM 4117 N N . LEU A 1 507 ? 6.045 -23.189 -9.407 1.00 16.79 ? 507 LEU A N 1 ATOM 4118 C CA . LEU A 1 507 ? 5.564 -24.534 -9.666 1.00 16.89 ? 507 LEU A CA 1 ATOM 4119 C C . LEU A 1 507 ? 6.442 -25.259 -10.696 1.00 16.20 ? 507 LEU A C 1 ATOM 4120 O O . LEU A 1 507 ? 6.747 -26.439 -10.527 1.00 15.57 ? 507 LEU A O 1 ATOM 4121 C CB . LEU A 1 507 ? 4.141 -24.421 -10.168 1.00 18.42 ? 507 LEU A CB 1 ATOM 4122 C CG . LEU A 1 507 ? 2.982 -25.332 -9.801 1.00 20.06 ? 507 LEU A CG 1 ATOM 4123 C CD1 . LEU A 1 507 ? 2.963 -25.769 -8.339 1.00 20.19 ? 507 LEU A CD1 1 ATOM 4124 C CD2 . LEU A 1 507 ? 1.735 -24.566 -10.182 1.00 19.90 ? 507 LEU A CD2 1 ATOM 4125 N N . GLN A 1 508 ? 6.878 -24.565 -11.745 1.00 15.65 ? 508 GLN A N 1 ATOM 4126 C CA . GLN A 1 508 ? 7.653 -25.262 -12.780 1.00 15.94 ? 508 GLN A CA 1 ATOM 4127 C C . GLN A 1 508 ? 8.940 -25.922 -12.262 1.00 15.98 ? 508 GLN A C 1 ATOM 4128 O O . GLN A 1 508 ? 9.350 -26.971 -12.775 1.00 15.91 ? 508 GLN A O 1 ATOM 4129 C CB . GLN A 1 508 ? 7.931 -24.386 -14.002 1.00 15.17 ? 508 GLN A CB 1 ATOM 4130 C CG . GLN A 1 508 ? 8.828 -23.171 -13.761 1.00 15.23 ? 508 GLN A CG 1 ATOM 4131 C CD . GLN A 1 508 ? 8.820 -22.268 -14.972 1.00 15.18 ? 508 GLN A CD 1 ATOM 4132 O OE1 . GLN A 1 508 ? 9.776 -22.239 -15.722 1.00 15.92 ? 508 GLN A OE1 1 ATOM 4133 N NE2 . GLN A 1 508 ? 7.709 -21.576 -15.201 1.00 15.23 ? 508 GLN A NE2 1 ATOM 4134 N N . PHE A 1 509 ? 9.554 -25.323 -11.245 1.00 16.44 ? 509 PHE A N 1 ATOM 4135 C CA . PHE A 1 509 ? 10.767 -25.896 -10.663 1.00 16.88 ? 509 PHE A CA 1 ATOM 4136 C C . PHE A 1 509 ? 10.438 -27.087 -9.776 1.00 17.21 ? 509 PHE A C 1 ATOM 4137 O O . PHE A 1 509 ? 11.184 -28.076 -9.751 1.00 16.99 ? 509 PHE A O 1 ATOM 4138 C CB . PHE A 1 509 ? 11.605 -24.825 -9.959 1.00 16.82 ? 509 PHE A CB 1 ATOM 4139 C CG . PHE A 1 509 ? 12.270 -23.885 -10.929 1.00 16.79 ? 509 PHE A CG 1 ATOM 4140 C CD1 . PHE A 1 509 ? 13.454 -24.246 -11.567 1.00 16.72 ? 509 PHE A CD1 1 ATOM 4141 C CD2 . PHE A 1 509 ? 11.678 -22.673 -11.256 1.00 16.45 ? 509 PHE A CD2 1 ATOM 4142 C CE1 . PHE A 1 509 ? 14.047 -23.400 -12.486 1.00 16.40 ? 509 PHE A CE1 1 ATOM 4143 C CE2 . PHE A 1 509 ? 12.264 -21.823 -12.182 1.00 16.68 ? 509 PHE A CE2 1 ATOM 4144 C CZ . PHE A 1 509 ? 13.449 -22.188 -12.803 1.00 16.61 ? 509 PHE A CZ 1 ATOM 4145 N N . GLN A 1 510 ? 9.296 -27.012 -9.092 1.00 17.26 ? 510 GLN A N 1 ATOM 4146 C CA . GLN A 1 510 ? 8.800 -28.164 -8.337 1.00 17.74 ? 510 GLN A CA 1 ATOM 4147 C C . GLN A 1 510 ? 8.554 -29.350 -9.279 1.00 18.11 ? 510 GLN A C 1 ATOM 4148 O O . GLN A 1 510 ? 8.955 -30.480 -8.968 1.00 18.34 ? 510 GLN A O 1 ATOM 4149 C CB . GLN A 1 510 ? 7.509 -27.819 -7.570 1.00 18.15 ? 510 GLN A CB 1 ATOM 4150 C CG . GLN A 1 510 ? 7.698 -26.823 -6.422 1.00 18.79 ? 510 GLN A CG 1 ATOM 4151 C CD . GLN A 1 510 ? 6.423 -26.601 -5.615 1.00 19.31 ? 510 GLN A CD 1 ATOM 4152 O OE1 . GLN A 1 510 ? 5.776 -25.564 -5.742 1.00 19.26 ? 510 GLN A OE1 1 ATOM 4153 N NE2 . GLN A 1 510 ? 6.055 -27.579 -4.793 1.00 19.32 ? 510 GLN A NE2 1 ATOM 4154 N N . PHE A 1 511 ? 7.898 -29.083 -10.418 1.00 17.56 ? 511 PHE A N 1 ATOM 4155 C CA . PHE A 1 511 ? 7.591 -30.119 -11.418 1.00 17.89 ? 511 PHE A CA 1 ATOM 4156 C C . PHE A 1 511 ? 8.873 -30.697 -12.014 1.00 17.70 ? 511 PHE A C 1 ATOM 4157 O O . PHE A 1 511 ? 9.022 -31.910 -12.179 1.00 17.03 ? 511 PHE A O 1 ATOM 4158 C CB . PHE A 1 511 ? 6.781 -29.546 -12.587 1.00 18.36 ? 511 PHE A CB 1 ATOM 4159 C CG . PHE A 1 511 ? 5.358 -29.172 -12.261 1.00 19.42 ? 511 PHE A CG 1 ATOM 4160 C CD1 . PHE A 1 511 ? 4.803 -29.397 -11.000 1.00 19.69 ? 511 PHE A CD1 1 ATOM 4161 C CD2 . PHE A 1 511 ? 4.548 -28.610 -13.258 1.00 20.07 ? 511 PHE A CD2 1 ATOM 4162 C CE1 . PHE A 1 511 ? 3.484 -29.050 -10.743 1.00 19.47 ? 511 PHE A CE1 1 ATOM 4163 C CE2 . PHE A 1 511 ? 3.223 -28.279 -13.003 1.00 19.74 ? 511 PHE A CE2 1 ATOM 4164 C CZ . PHE A 1 511 ? 2.705 -28.486 -11.739 1.00 19.94 ? 511 PHE A CZ 1 ATOM 4165 N N . HIS A 1 512 ? 9.765 -29.795 -12.403 1.00 17.59 ? 512 HIS A N 1 ATOM 4166 C CA . HIS A 1 512 ? 11.044 -30.149 -12.998 1.00 17.82 ? 512 HIS A CA 1 ATOM 4167 C C . HIS A 1 512 ? 11.836 -31.087 -12.088 1.00 17.74 ? 512 HIS A C 1 ATOM 4168 O O . HIS A 1 512 ? 12.341 -32.122 -12.545 1.00 16.93 ? 512 HIS A O 1 ATOM 4169 C CB . HIS A 1 512 ? 11.842 -28.877 -13.265 1.00 17.46 ? 512 HIS A CB 1 ATOM 4170 C CG . HIS A 1 512 ? 13.125 -29.107 -13.991 1.00 18.27 ? 512 HIS A CG 1 ATOM 4171 N ND1 . HIS A 1 512 ? 13.178 -29.623 -15.269 1.00 18.52 ? 512 HIS A ND1 1 ATOM 4172 C CD2 . HIS A 1 512 ? 14.408 -28.874 -13.624 1.00 17.99 ? 512 HIS A CD2 1 ATOM 4173 C CE1 . HIS A 1 512 ? 14.438 -29.690 -15.658 1.00 18.90 ? 512 HIS A CE1 1 ATOM 4174 N NE2 . HIS A 1 512 ? 15.203 -29.242 -14.678 1.00 18.13 ? 512 HIS A NE2 1 ATOM 4175 N N . GLU A 1 513 ? 11.940 -30.719 -10.812 1.00 17.93 ? 513 GLU A N 1 ATOM 4176 C CA . GLU A 1 513 ? 12.579 -31.574 -9.816 1.00 19.05 ? 513 GLU A CA 1 ATOM 4177 C C . GLU A 1 513 ? 11.927 -32.959 -9.734 1.00 18.51 ? 513 GLU A C 1 ATOM 4178 O O . GLU A 1 513 ? 12.641 -33.973 -9.705 1.00 18.13 ? 513 GLU A O 1 ATOM 4179 C CB . GLU A 1 513 ? 12.608 -30.904 -8.433 1.00 20.32 ? 513 GLU A CB 1 ATOM 4180 C CG . GLU A 1 513 ? 13.339 -31.730 -7.374 1.00 22.06 ? 513 GLU A CG 1 ATOM 4181 C CD . GLU A 1 513 ? 13.308 -31.094 -5.997 1.00 23.03 ? 513 GLU A CD 1 ATOM 4182 O OE1 . GLU A 1 513 ? 12.228 -30.720 -5.512 1.00 22.75 ? 513 GLU A OE1 1 ATOM 4183 O OE2 . GLU A 1 513 ? 14.378 -30.973 -5.389 1.00 25.27 ? 513 GLU A OE2 1 ATOM 4184 N N . ALA A 1 514 ? 10.591 -33.004 -9.707 1.00 18.21 ? 514 ALA A N 1 ATOM 4185 C CA . ALA A 1 514 ? 9.858 -34.278 -9.635 1.00 18.51 ? 514 ALA A CA 1 ATOM 4186 C C . ALA A 1 514 ? 10.024 -35.168 -10.886 1.00 18.56 ? 514 ALA A C 1 ATOM 4187 O O . ALA A 1 514 ? 10.191 -36.382 -10.771 1.00 18.25 ? 514 ALA A O 1 ATOM 4188 C CB . ALA A 1 514 ? 8.362 -34.046 -9.372 1.00 18.45 ? 514 ALA A CB 1 ATOM 4189 N N . LEU A 1 515 ? 9.937 -34.567 -12.066 1.00 18.51 ? 515 LEU A N 1 ATOM 4190 C CA . LEU A 1 515 ? 10.113 -35.306 -13.325 1.00 18.83 ? 515 LEU A CA 1 ATOM 4191 C C . LEU A 1 515 ? 11.556 -35.780 -13.539 1.00 19.50 ? 515 LEU A C 1 ATOM 4192 O O . LEU A 1 515 ? 11.797 -36.895 -14.012 1.00 19.24 ? 515 LEU A O 1 ATOM 4193 C CB . LEU A 1 515 ? 9.642 -34.459 -14.495 1.00 18.46 ? 515 LEU A CB 1 ATOM 4194 C CG . LEU A 1 515 ? 8.158 -34.078 -14.502 1.00 18.56 ? 515 LEU A CG 1 ATOM 4195 C CD1 . LEU A 1 515 ? 7.913 -33.090 -15.634 1.00 18.74 ? 515 LEU A CD1 1 ATOM 4196 C CD2 . LEU A 1 515 ? 7.228 -35.291 -14.612 1.00 18.74 ? 515 LEU A CD2 1 ATOM 4197 N N . CYS A 1 516 ? 12.512 -34.939 -13.165 1.00 20.13 ? 516 CYS A N 1 ATOM 4198 C CA . CYS A 1 516 ? 13.929 -35.334 -13.186 1.00 21.91 ? 516 CYS A CA 1 ATOM 4199 C C . CYS A 1 516 ? 14.234 -36.542 -12.294 1.00 22.59 ? 516 CYS A C 1 ATOM 4200 O O . CYS A 1 516 ? 14.955 -37.465 -12.707 1.00 23.06 ? 516 CYS A O 1 ATOM 4201 C CB . CYS A 1 516 ? 14.826 -34.143 -12.851 1.00 21.99 ? 516 CYS A CB 1 ATOM 4202 S SG . CYS A 1 516 ? 14.760 -32.927 -14.191 1.00 23.79 ? 516 CYS A SG 1 ATOM 4203 N N . LYS A 1 517 ? 13.675 -36.547 -11.088 1.00 23.19 ? 517 LYS A N 1 ATOM 4204 C CA . LYS A 1 517 ? 13.830 -37.683 -10.191 1.00 25.28 ? 517 LYS A CA 1 ATOM 4205 C C . LYS A 1 517 ? 13.171 -38.931 -10.800 1.00 25.52 ? 517 LYS A C 1 ATOM 4206 O O . LYS A 1 517 ? 13.776 -40.005 -10.839 1.00 25.06 ? 517 LYS A O 1 ATOM 4207 C CB . LYS A 1 517 ? 13.231 -37.369 -8.810 1.00 27.04 ? 517 LYS A CB 1 ATOM 4208 C CG . LYS A 1 517 ? 13.361 -38.511 -7.820 1.00 30.55 ? 517 LYS A CG 1 ATOM 4209 C CD . LYS A 1 517 ? 12.538 -38.235 -6.578 1.00 33.97 ? 517 LYS A CD 1 ATOM 4210 C CE . LYS A 1 517 ? 12.434 -39.483 -5.716 1.00 36.99 ? 517 LYS A CE 1 ATOM 4211 N NZ . LYS A 1 517 ? 11.395 -39.308 -4.663 1.00 40.56 ? 517 LYS A NZ 1 ATOM 4212 N N . GLU A 1 518 ? 11.941 -38.774 -11.286 1.00 25.33 ? 518 GLU A N 1 ATOM 4213 C CA . GLU A 1 518 ? 11.207 -39.870 -11.915 1.00 27.16 ? 518 GLU A CA 1 ATOM 4214 C C . GLU A 1 518 ? 11.973 -40.432 -13.109 1.00 27.23 ? 518 GLU A C 1 ATOM 4215 O O . GLU A 1 518 ? 12.043 -41.642 -13.279 1.00 28.94 ? 518 GLU A O 1 ATOM 4216 C CB . GLU A 1 518 ? 9.802 -39.421 -12.337 1.00 27.15 ? 518 GLU A CB 1 ATOM 4217 C CG . GLU A 1 518 ? 8.916 -40.536 -12.885 1.00 29.65 ? 518 GLU A CG 1 ATOM 4218 C CD . GLU A 1 518 ? 8.403 -41.484 -11.806 1.00 31.81 ? 518 GLU A CD 1 ATOM 4219 O OE1 . GLU A 1 518 ? 8.542 -41.165 -10.615 1.00 32.74 ? 518 GLU A OE1 1 ATOM 4220 O OE2 . GLU A 1 518 ? 7.848 -42.550 -12.145 1.00 32.87 ? 518 GLU A OE2 1 ATOM 4221 N N . ALA A 1 519 ? 12.568 -39.547 -13.906 1.00 26.50 ? 519 ALA A N 1 ATOM 4222 C CA . ALA A 1 519 ? 13.377 -39.938 -15.066 1.00 26.42 ? 519 ALA A CA 1 ATOM 4223 C C . ALA A 1 519 ? 14.640 -40.723 -14.693 1.00 27.40 ? 519 ALA A C 1 ATOM 4224 O O . ALA A 1 519 ? 15.323 -41.238 -15.575 1.00 27.79 ? 519 ALA A O 1 ATOM 4225 C CB . ALA A 1 519 ? 13.738 -38.716 -15.896 1.00 24.58 ? 519 ALA A CB 1 ATOM 4226 N N . GLY A 1 520 ? 14.936 -40.814 -13.395 1.00 27.85 ? 520 GLY A N 1 ATOM 4227 C CA . GLY A 1 520 ? 16.119 -41.519 -12.903 1.00 28.84 ? 520 GLY A CA 1 ATOM 4228 C C . GLY A 1 520 ? 17.379 -40.690 -13.046 1.00 29.76 ? 520 GLY A C 1 ATOM 4229 O O . GLY A 1 520 ? 18.487 -41.217 -12.978 1.00 30.16 ? 520 GLY A O 1 ATOM 4230 N N . TYR A 1 521 ? 17.219 -39.387 -13.257 1.00 29.69 ? 521 TYR A N 1 ATOM 4231 C CA . TYR A 1 521 ? 18.369 -38.498 -13.378 1.00 31.08 ? 521 TYR A CA 1 ATOM 4232 C C . TYR A 1 521 ? 19.011 -38.230 -12.010 1.00 32.84 ? 521 TYR A C 1 ATOM 4233 O O . TYR A 1 521 ? 18.305 -38.078 -11.011 1.00 31.57 ? 521 TYR A O 1 ATOM 4234 C CB . TYR A 1 521 ? 17.962 -37.203 -14.080 1.00 31.03 ? 521 TYR A CB 1 ATOM 4235 C CG . TYR A 1 521 ? 19.033 -36.159 -14.113 1.00 30.69 ? 521 TYR A CG 1 ATOM 4236 C CD1 . TYR A 1 521 ? 20.049 -36.201 -15.069 1.00 31.31 ? 521 TYR A CD1 1 ATOM 4237 C CD2 . TYR A 1 521 ? 19.039 -35.122 -13.183 1.00 30.59 ? 521 TYR A CD2 1 ATOM 4238 C CE1 . TYR A 1 521 ? 21.041 -35.232 -15.092 1.00 30.89 ? 521 TYR A CE1 1 ATOM 4239 C CE2 . TYR A 1 521 ? 20.023 -34.152 -13.204 1.00 30.32 ? 521 TYR A CE2 1 ATOM 4240 C CZ . TYR A 1 521 ? 21.014 -34.207 -14.162 1.00 30.27 ? 521 TYR A CZ 1 ATOM 4241 O OH . TYR A 1 521 ? 21.994 -33.236 -14.173 1.00 30.11 ? 521 TYR A OH 1 ATOM 4242 N N . GLU A 1 522 ? 20.345 -38.175 -11.986 1.00 35.23 ? 522 GLU A N 1 ATOM 4243 C CA . GLU A 1 522 ? 21.118 -38.181 -10.741 1.00 39.35 ? 522 GLU A CA 1 ATOM 4244 C C . GLU A 1 522 ? 22.025 -36.962 -10.520 1.00 38.02 ? 522 GLU A C 1 ATOM 4245 O O . GLU A 1 522 ? 22.529 -36.772 -9.414 1.00 42.28 ? 522 GLU A O 1 ATOM 4246 C CB . GLU A 1 522 ? 21.986 -39.445 -10.650 1.00 42.19 ? 522 GLU A CB 1 ATOM 4247 C CG . GLU A 1 522 ? 21.267 -40.766 -10.887 1.00 48.01 ? 522 GLU A CG 1 ATOM 4248 C CD . GLU A 1 522 ? 20.572 -41.299 -9.649 1.00 51.62 ? 522 GLU A CD 1 ATOM 4249 O OE1 . GLU A 1 522 ? 19.573 -40.684 -9.211 1.00 54.60 ? 522 GLU A OE1 1 ATOM 4250 O OE2 . GLU A 1 522 ? 21.017 -42.346 -9.124 1.00 52.35 ? 522 GLU A OE2 1 ATOM 4251 N N . GLY A 1 523 ? 22.246 -36.155 -11.555 1.00 36.44 ? 523 GLY A N 1 ATOM 4252 C CA . GLY A 1 523 ? 23.153 -34.999 -11.459 1.00 33.46 ? 523 GLY A CA 1 ATOM 4253 C C . GLY A 1 523 ? 22.516 -33.710 -10.943 1.00 31.43 ? 523 GLY A C 1 ATOM 4254 O O . GLY A 1 523 ? 21.433 -33.738 -10.357 1.00 31.64 ? 523 GLY A O 1 ATOM 4255 N N . PRO A 1 524 ? 23.196 -32.565 -11.151 1.00 29.98 ? 524 PRO A N 1 ATOM 4256 C CA . PRO A 1 524 ? 22.708 -31.237 -10.745 1.00 28.54 ? 524 PRO A CA 1 ATOM 4257 C C . PRO A 1 524 ? 21.371 -30.936 -11.423 1.00 26.36 ? 524 PRO A C 1 ATOM 4258 O O . PRO A 1 524 ? 21.204 -31.239 -12.605 1.00 24.74 ? 524 PRO A O 1 ATOM 4259 C CB . PRO A 1 524 ? 23.788 -30.285 -11.281 1.00 28.18 ? 524 PRO A CB 1 ATOM 4260 C CG . PRO A 1 524 ? 25.007 -31.132 -11.424 1.00 29.08 ? 524 PRO A CG 1 ATOM 4261 C CD . PRO A 1 524 ? 24.506 -32.487 -11.821 1.00 29.09 ? 524 PRO A CD 1 ATOM 4262 N N . LEU A 1 525 ? 20.430 -30.362 -10.678 1.00 25.54 ? 525 LEU A N 1 ATOM 4263 C CA . LEU A 1 525 ? 19.068 -30.135 -11.192 1.00 23.72 ? 525 LEU A CA 1 ATOM 4264 C C . LEU A 1 525 ? 19.029 -29.298 -12.477 1.00 22.27 ? 525 LEU A C 1 ATOM 4265 O O . LEU A 1 525 ? 18.229 -29.567 -13.358 1.00 22.18 ? 525 LEU A O 1 ATOM 4266 C CB . LEU A 1 525 ? 18.162 -29.525 -10.112 1.00 23.67 ? 525 LEU A CB 1 ATOM 4267 C CG . LEU A 1 525 ? 16.684 -29.274 -10.454 1.00 24.13 ? 525 LEU A CG 1 ATOM 4268 C CD1 . LEU A 1 525 ? 15.982 -30.563 -10.869 1.00 23.84 ? 525 LEU A CD1 1 ATOM 4269 C CD2 . LEU A 1 525 ? 15.974 -28.621 -9.270 1.00 23.85 ? 525 LEU A CD2 1 ATOM 4270 N N . HIS A 1 526 ? 19.907 -28.303 -12.591 1.00 21.88 ? 526 HIS A N 1 ATOM 4271 C CA . HIS A 1 526 ? 19.900 -27.435 -13.762 1.00 21.63 ? 526 HIS A CA 1 ATOM 4272 C C . HIS A 1 526 ? 20.511 -28.089 -15.010 1.00 21.70 ? 526 HIS A C 1 ATOM 4273 O O . HIS A 1 526 ? 20.537 -27.475 -16.069 1.00 21.73 ? 526 HIS A O 1 ATOM 4274 C CB . HIS A 1 526 ? 20.604 -26.109 -13.455 1.00 21.99 ? 526 HIS A CB 1 ATOM 4275 C CG . HIS A 1 526 ? 22.035 -26.278 -13.047 1.00 22.64 ? 526 HIS A CG 1 ATOM 4276 N ND1 . HIS A 1 526 ? 22.405 -26.653 -11.771 1.00 23.04 ? 526 HIS A ND1 1 ATOM 4277 C CD2 . HIS A 1 526 ? 23.182 -26.140 -13.751 1.00 22.47 ? 526 HIS A CD2 1 ATOM 4278 C CE1 . HIS A 1 526 ? 23.725 -26.739 -11.711 1.00 23.91 ? 526 HIS A CE1 1 ATOM 4279 N NE2 . HIS A 1 526 ? 24.218 -26.440 -12.900 1.00 23.82 ? 526 HIS A NE2 1 ATOM 4280 N N . GLN A 1 527 ? 21.009 -29.316 -14.890 1.00 21.41 ? 527 GLN A N 1 ATOM 4281 C CA . GLN A 1 527 ? 21.589 -29.997 -16.051 1.00 22.64 ? 527 GLN A CA 1 ATOM 4282 C C . GLN A 1 527 ? 20.698 -31.139 -16.517 1.00 22.30 ? 527 GLN A C 1 ATOM 4283 O O . GLN A 1 527 ? 21.008 -31.828 -17.481 1.00 23.34 ? 527 GLN A O 1 ATOM 4284 C CB . GLN A 1 527 ? 23.018 -30.484 -15.770 1.00 23.57 ? 527 GLN A CB 1 ATOM 4285 C CG . GLN A 1 527 ? 24.012 -29.343 -15.621 1.00 25.84 ? 527 GLN A CG 1 ATOM 4286 C CD . GLN A 1 527 ? 25.431 -29.807 -15.332 1.00 28.37 ? 527 GLN A CD 1 ATOM 4287 O OE1 . GLN A 1 527 ? 25.655 -30.854 -14.730 1.00 29.48 ? 527 GLN A OE1 1 ATOM 4288 N NE2 . GLN A 1 527 ? 26.398 -29.018 -15.760 1.00 29.80 ? 527 GLN A NE2 1 ATOM 4289 N N . CYS A 1 528 ? 19.578 -31.315 -15.835 1.00 21.75 ? 528 CYS A N 1 ATOM 4290 C CA . CYS A 1 528 ? 18.623 -32.361 -16.183 1.00 21.82 ? 528 CYS A CA 1 ATOM 4291 C C . CYS A 1 528 ? 17.939 -32.076 -17.521 1.00 21.04 ? 528 CYS A C 1 ATOM 4292 O O . CYS A 1 528 ? 17.521 -30.949 -17.792 1.00 19.88 ? 528 CYS A O 1 ATOM 4293 C CB . CYS A 1 528 ? 17.577 -32.469 -15.087 1.00 21.97 ? 528 CYS A CB 1 ATOM 4294 S SG . CYS A 1 528 ? 16.189 -33.551 -15.483 1.00 24.30 ? 528 CYS A SG 1 ATOM 4295 N N . ASP A 1 529 ? 17.814 -33.120 -18.336 1.00 20.57 ? 529 ASP A N 1 ATOM 4296 C CA . ASP A 1 529 ? 17.047 -33.073 -19.581 1.00 20.21 ? 529 ASP A CA 1 ATOM 4297 C C . ASP A 1 529 ? 16.128 -34.293 -19.558 1.00 19.93 ? 529 ASP A C 1 ATOM 4298 O O . ASP A 1 529 ? 16.610 -35.427 -19.601 1.00 19.58 ? 529 ASP A O 1 ATOM 4299 C CB . ASP A 1 529 ? 18.007 -33.102 -20.800 1.00 20.34 ? 529 ASP A CB 1 ATOM 4300 C CG . ASP A 1 529 ? 17.276 -33.136 -22.145 1.00 20.42 ? 529 ASP A CG 1 ATOM 4301 O OD1 . ASP A 1 529 ? 16.045 -32.880 -22.185 1.00 20.20 ? 529 ASP A OD1 1 ATOM 4302 O OD2 . ASP A 1 529 ? 17.927 -33.427 -23.177 1.00 20.49 ? 529 ASP A OD2 1 ATOM 4303 N N . ILE A 1 530 ? 14.812 -34.072 -19.473 1.00 19.61 ? 530 ILE A N 1 ATOM 4304 C CA . ILE A 1 530 ? 13.875 -35.200 -19.416 1.00 19.49 ? 530 ILE A CA 1 ATOM 4305 C C . ILE A 1 530 ? 13.515 -35.794 -20.792 1.00 19.19 ? 530 ILE A C 1 ATOM 4306 O O . ILE A 1 530 ? 12.698 -36.706 -20.875 1.00 18.33 ? 530 ILE A O 1 ATOM 4307 C CB . ILE A 1 530 ? 12.573 -34.864 -18.641 1.00 19.74 ? 530 ILE A CB 1 ATOM 4308 C CG1 . ILE A 1 530 ? 11.746 -33.785 -19.357 1.00 19.69 ? 530 ILE A CG1 1 ATOM 4309 C CG2 . ILE A 1 530 ? 12.882 -34.510 -17.184 1.00 19.93 ? 530 ILE A CG2 1 ATOM 4310 C CD1 . ILE A 1 530 ? 10.285 -33.754 -18.924 1.00 20.63 ? 530 ILE A CD1 1 ATOM 4311 N N . TYR A 1 531 ? 14.115 -35.265 -21.857 1.00 18.52 ? 531 TYR A N 1 ATOM 4312 C CA . TYR A 1 531 ? 13.883 -35.766 -23.219 1.00 18.50 ? 531 TYR A CA 1 ATOM 4313 C C . TYR A 1 531 ? 13.896 -37.282 -23.302 1.00 18.29 ? 531 TYR A C 1 ATOM 4314 O O . TYR A 1 531 ? 14.818 -37.927 -22.820 1.00 17.98 ? 531 TYR A O 1 ATOM 4315 C CB . TYR A 1 531 ? 14.976 -35.223 -24.133 1.00 18.88 ? 531 TYR A CB 1 ATOM 4316 C CG . TYR A 1 531 ? 14.832 -35.479 -25.617 1.00 19.48 ? 531 TYR A CG 1 ATOM 4317 C CD1 . TYR A 1 531 ? 13.675 -35.085 -26.313 1.00 19.60 ? 531 TYR A CD1 1 ATOM 4318 C CD2 . TYR A 1 531 ? 15.899 -36.034 -26.349 1.00 19.75 ? 531 TYR A CD2 1 ATOM 4319 C CE1 . TYR A 1 531 ? 13.571 -35.260 -27.679 1.00 19.59 ? 531 TYR A CE1 1 ATOM 4320 C CE2 . TYR A 1 531 ? 15.798 -36.233 -27.725 1.00 20.47 ? 531 TYR A CE2 1 ATOM 4321 C CZ . TYR A 1 531 ? 14.631 -35.845 -28.378 1.00 20.33 ? 531 TYR A CZ 1 ATOM 4322 O OH . TYR A 1 531 ? 14.527 -36.018 -29.725 1.00 20.86 ? 531 TYR A OH 1 ATOM 4323 N N . ARG A 1 532 ? 12.881 -37.844 -23.945 1.00 18.17 ? 532 ARG A N 1 ATOM 4324 C CA . ARG A 1 532 ? 12.793 -39.295 -24.155 1.00 19.16 ? 532 ARG A CA 1 ATOM 4325 C C . ARG A 1 532 ? 12.545 -40.106 -22.873 1.00 19.63 ? 532 ARG A C 1 ATOM 4326 O O . ARG A 1 532 ? 12.646 -41.333 -22.884 1.00 19.71 ? 532 ARG A O 1 ATOM 4327 C CB . ARG A 1 532 ? 14.023 -39.836 -24.911 1.00 19.83 ? 532 ARG A CB 1 ATOM 4328 C CG . ARG A 1 532 ? 14.059 -39.432 -26.372 1.00 19.96 ? 532 ARG A CG 1 ATOM 4329 C CD . ARG A 1 532 ? 15.307 -39.906 -27.104 1.00 19.88 ? 532 ARG A CD 1 ATOM 4330 N NE . ARG A 1 532 ? 15.206 -39.558 -28.529 1.00 20.09 ? 532 ARG A NE 1 ATOM 4331 C CZ . ARG A 1 532 ? 16.231 -39.482 -29.376 1.00 20.85 ? 532 ARG A CZ 1 ATOM 4332 N NH1 . ARG A 1 532 ? 17.484 -39.695 -28.972 1.00 20.41 ? 532 ARG A NH1 1 ATOM 4333 N NH2 . ARG A 1 532 ? 16.003 -39.154 -30.639 1.00 21.39 ? 532 ARG A NH2 1 ATOM 4334 N N . SER A 1 533 ? 12.214 -39.439 -21.772 1.00 19.96 ? 533 SER A N 1 ATOM 4335 C CA . SER A 1 533 ? 11.899 -40.180 -20.549 1.00 20.22 ? 533 SER A CA 1 ATOM 4336 C C . SER A 1 533 ? 10.419 -40.508 -20.563 1.00 20.57 ? 533 SER A C 1 ATOM 4337 O O . SER A 1 533 ? 9.576 -39.640 -20.294 1.00 19.72 ? 533 SER A O 1 ATOM 4338 C CB . SER A 1 533 ? 12.221 -39.373 -19.305 1.00 20.06 ? 533 SER A CB 1 ATOM 4339 O OG . SER A 1 533 ? 11.818 -40.075 -18.136 1.00 19.60 ? 533 SER A OG 1 ATOM 4340 N N . THR A 1 534 ? 10.099 -41.755 -20.878 1.00 21.31 ? 534 THR A N 1 ATOM 4341 C CA . THR A 1 534 ? 8.699 -42.152 -20.926 1.00 22.46 ? 534 THR A CA 1 ATOM 4342 C C . THR A 1 534 ? 8.132 -42.257 -19.494 1.00 23.41 ? 534 THR A C 1 ATOM 4343 O O . THR A 1 534 ? 6.934 -42.062 -19.304 1.00 23.88 ? 534 THR A O 1 ATOM 4344 C CB . THR A 1 534 ? 8.489 -43.449 -21.734 1.00 22.93 ? 534 THR A CB 1 ATOM 4345 O OG1 . THR A 1 534 ? 9.180 -44.525 -21.101 1.00 23.23 ? 534 THR A OG1 1 ATOM 4346 C CG2 . THR A 1 534 ? 9.018 -43.280 -23.171 1.00 22.80 ? 534 THR A CG2 1 ATOM 4347 N N . LYS A 1 535 ? 8.988 -42.537 -18.503 1.00 23.67 ? 535 LYS A N 1 ATOM 4348 C CA . LYS A 1 535 ? 8.573 -42.484 -17.083 1.00 24.47 ? 535 LYS A CA 1 ATOM 4349 C C . LYS A 1 535 ? 8.196 -41.071 -16.624 1.00 23.25 ? 535 LYS A C 1 ATOM 4350 O O . LYS A 1 535 ? 7.166 -40.881 -15.953 1.00 21.96 ? 535 LYS A O 1 ATOM 4351 C CB . LYS A 1 535 ? 9.639 -43.052 -16.148 1.00 27.26 ? 535 LYS A CB 1 ATOM 4352 C CG . LYS A 1 535 ? 9.846 -44.549 -16.252 1.00 30.91 ? 535 LYS A CG 1 ATOM 4353 C CD . LYS A 1 535 ? 9.839 -45.209 -14.875 1.00 34.50 ? 535 LYS A CD 1 ATOM 4354 C CE . LYS A 1 535 ? 11.169 -45.066 -14.146 1.00 35.97 ? 535 LYS A CE 1 ATOM 4355 N NZ . LYS A 1 535 ? 11.008 -45.374 -12.693 1.00 38.57 ? 535 LYS A NZ 1 ATOM 4356 N N . ALA A 1 536 ? 9.017 -40.075 -16.983 1.00 21.75 ? 536 ALA A N 1 ATOM 4357 C CA . ALA A 1 536 ? 8.653 -38.672 -16.724 1.00 21.01 ? 536 ALA A CA 1 ATOM 4358 C C . ALA A 1 536 ? 7.362 -38.319 -17.449 1.00 20.60 ? 536 ALA A C 1 ATOM 4359 O O . ALA A 1 536 ? 6.512 -37.622 -16.897 1.00 20.38 ? 536 ALA A O 1 ATOM 4360 C CB . ALA A 1 536 ? 9.761 -37.724 -17.154 1.00 20.75 ? 536 ALA A CB 1 ATOM 4361 N N . GLY A 1 537 ? 7.224 -38.805 -18.684 1.00 20.09 ? 537 GLY A N 1 ATOM 4362 C CA . GLY A 1 537 ? 6.031 -38.551 -19.478 1.00 20.39 ? 537 GLY A CA 1 ATOM 4363 C C . GLY A 1 537 ? 4.764 -39.098 -18.828 1.00 20.43 ? 537 GLY A C 1 ATOM 4364 O O . GLY A 1 537 ? 3.731 -38.426 -18.819 1.00 20.42 ? 537 GLY A O 1 ATOM 4365 N N . ALA A 1 538 ? 4.853 -40.309 -18.278 1.00 20.52 ? 538 ALA A N 1 ATOM 4366 C CA . ALA A 1 538 ? 3.708 -40.946 -17.618 1.00 21.45 ? 538 ALA A CA 1 ATOM 4367 C C . ALA A 1 538 ? 3.267 -40.185 -16.366 1.00 21.11 ? 538 ALA A C 1 ATOM 4368 O O . ALA A 1 538 ? 2.072 -40.045 -16.113 1.00 21.41 ? 538 ALA A O 1 ATOM 4369 C CB . ALA A 1 538 ? 4.012 -42.410 -17.288 1.00 21.30 ? 538 ALA A CB 1 ATOM 4370 N N . LYS A 1 539 ? 4.233 -39.693 -15.594 1.00 21.13 ? 539 LYS A N 1 ATOM 4371 C CA . LYS A 1 539 ? 3.967 -38.865 -14.414 1.00 21.67 ? 539 LYS A CA 1 ATOM 4372 C C . LYS A 1 539 ? 3.306 -37.515 -14.762 1.00 21.47 ? 539 LYS A C 1 ATOM 4373 O O . LYS A 1 539 ? 2.334 -37.095 -14.123 1.00 20.74 ? 539 LYS A O 1 ATOM 4374 C CB . LYS A 1 539 ? 5.275 -38.637 -13.657 1.00 22.99 ? 539 LYS A CB 1 ATOM 4375 C CG . LYS A 1 539 ? 5.114 -38.013 -12.281 1.00 25.41 ? 539 LYS A CG 1 ATOM 4376 C CD . LYS A 1 539 ? 6.471 -37.953 -11.600 1.00 25.76 ? 539 LYS A CD 1 ATOM 4377 C CE . LYS A 1 539 ? 6.352 -37.603 -10.138 1.00 27.26 ? 539 LYS A CE 1 ATOM 4378 N NZ . LYS A 1 539 ? 5.391 -38.458 -9.395 1.00 25.88 ? 539 LYS A NZ 1 ATOM 4379 N N . LEU A 1 540 ? 3.835 -36.833 -15.774 1.00 20.63 ? 540 LEU A N 1 ATOM 4380 C CA . LEU A 1 540 ? 3.201 -35.628 -16.280 1.00 20.89 ? 540 LEU A CA 1 ATOM 4381 C C . LEU A 1 540 ? 1.787 -35.887 -16.835 1.00 21.49 ? 540 LEU A C 1 ATOM 4382 O O . LEU A 1 540 ? 0.870 -35.099 -16.603 1.00 21.05 ? 540 LEU A O 1 ATOM 4383 C CB . LEU A 1 540 ? 4.099 -34.972 -17.345 1.00 21.02 ? 540 LEU A CB 1 ATOM 4384 C CG . LEU A 1 540 ? 3.771 -33.566 -17.856 1.00 22.10 ? 540 LEU A CG 1 ATOM 4385 C CD1 . LEU A 1 540 ? 3.524 -32.585 -16.710 1.00 21.49 ? 540 LEU A CD1 1 ATOM 4386 C CD2 . LEU A 1 540 ? 4.902 -33.068 -18.758 1.00 22.25 ? 540 LEU A CD2 1 ATOM 4387 N N . ARG A 1 541 ? 1.621 -36.995 -17.554 1.00 22.27 ? 541 ARG A N 1 ATOM 4388 C CA . ARG A 1 541 ? 0.344 -37.341 -18.179 1.00 24.28 ? 541 ARG A CA 1 ATOM 4389 C C . ARG A 1 541 ? -0.766 -37.452 -17.137 1.00 25.01 ? 541 ARG A C 1 ATOM 4390 O O . ARG A 1 541 ? -1.866 -36.982 -17.375 1.00 25.33 ? 541 ARG A O 1 ATOM 4391 C CB . ARG A 1 541 ? 0.473 -38.624 -18.999 1.00 25.53 ? 541 ARG A CB 1 ATOM 4392 C CG . ARG A 1 541 ? -0.698 -38.898 -19.942 1.00 28.14 ? 541 ARG A CG 1 ATOM 4393 C CD . ARG A 1 541 ? -0.339 -39.935 -20.999 1.00 29.64 ? 541 ARG A CD 1 ATOM 4394 N NE . ARG A 1 541 ? 0.028 -41.195 -20.379 1.00 32.85 ? 541 ARG A NE 1 ATOM 4395 C CZ . ARG A 1 541 ? 1.185 -41.833 -20.538 1.00 34.61 ? 541 ARG A CZ 1 ATOM 4396 N NH1 . ARG A 1 541 ? 2.145 -41.356 -21.338 1.00 34.62 ? 541 ARG A NH1 1 ATOM 4397 N NH2 . ARG A 1 541 ? 1.376 -42.971 -19.881 1.00 35.53 ? 541 ARG A NH2 1 ATOM 4398 N N . LYS A 1 542 ? -0.455 -38.053 -15.983 1.00 26.63 ? 542 LYS A N 1 ATOM 4399 C CA . LYS A 1 542 ? -1.413 -38.181 -14.875 1.00 28.60 ? 542 LYS A CA 1 ATOM 4400 C C . LYS A 1 542 ? -1.927 -36.833 -14.376 1.00 27.60 ? 542 LYS A C 1 ATOM 4401 O O . LYS A 1 542 ? -3.105 -36.701 -14.092 1.00 27.97 ? 542 LYS A O 1 ATOM 4402 C CB . LYS A 1 542 ? -0.816 -38.965 -13.712 1.00 31.01 ? 542 LYS A CB 1 ATOM 4403 C CG . LYS A 1 542 ? -0.799 -40.466 -13.920 1.00 34.89 ? 542 LYS A CG 1 ATOM 4404 C CD . LYS A 1 542 ? -0.339 -41.178 -12.654 1.00 38.27 ? 542 LYS A CD 1 ATOM 4405 C CE . LYS A 1 542 ? 0.244 -42.545 -12.981 1.00 40.66 ? 542 LYS A CE 1 ATOM 4406 N NZ . LYS A 1 542 ? 1.061 -43.067 -11.849 1.00 44.07 ? 542 LYS A NZ 1 ATOM 4407 N N . VAL A 1 543 ? -1.049 -35.837 -14.284 1.00 26.46 ? 543 VAL A N 1 ATOM 4408 C CA . VAL A 1 543 ? -1.472 -34.475 -13.961 1.00 25.53 ? 543 VAL A CA 1 ATOM 4409 C C . VAL A 1 543 ? -2.394 -33.925 -15.052 1.00 24.41 ? 543 VAL A C 1 ATOM 4410 O O . VAL A 1 543 ? -3.470 -33.401 -14.758 1.00 24.23 ? 543 VAL A O 1 ATOM 4411 C CB . VAL A 1 543 ? -0.264 -33.533 -13.786 1.00 25.01 ? 543 VAL A CB 1 ATOM 4412 C CG1 . VAL A 1 543 ? -0.714 -32.090 -13.628 1.00 24.89 ? 543 VAL A CG1 1 ATOM 4413 C CG2 . VAL A 1 543 ? 0.575 -33.968 -12.593 1.00 25.56 ? 543 VAL A CG2 1 ATOM 4414 N N . LEU A 1 544 ? -1.972 -34.062 -16.312 1.00 22.55 ? 544 LEU A N 1 ATOM 4415 C CA . LEU A 1 544 ? -2.718 -33.483 -17.426 1.00 22.22 ? 544 LEU A CA 1 ATOM 4416 C C . LEU A 1 544 ? -4.110 -34.102 -17.567 1.00 22.70 ? 544 LEU A C 1 ATOM 4417 O O . LEU A 1 544 ? -5.078 -33.389 -17.795 1.00 21.93 ? 544 LEU A O 1 ATOM 4418 C CB . LEU A 1 544 ? -1.934 -33.612 -18.739 1.00 21.59 ? 544 LEU A CB 1 ATOM 4419 C CG . LEU A 1 544 ? -0.539 -32.979 -18.687 1.00 21.23 ? 544 LEU A CG 1 ATOM 4420 C CD1 . LEU A 1 544 ? 0.137 -33.015 -20.046 1.00 21.83 ? 544 LEU A CD1 1 ATOM 4421 C CD2 . LEU A 1 544 ? -0.656 -31.554 -18.168 1.00 20.99 ? 544 LEU A CD2 1 ATOM 4422 N N . ARG A 1 545 ? -4.200 -35.419 -17.406 1.00 23.76 ? 545 ARG A N 1 ATOM 4423 C CA . ARG A 1 545 ? -5.476 -36.122 -17.594 1.00 26.21 ? 545 ARG A CA 1 ATOM 4424 C C . ARG A 1 545 ? -6.483 -35.863 -16.462 1.00 26.53 ? 545 ARG A C 1 ATOM 4425 O O . ARG A 1 545 ? -7.680 -36.103 -16.627 1.00 27.24 ? 545 ARG A O 1 ATOM 4426 C CB . ARG A 1 545 ? -5.256 -37.628 -17.786 1.00 28.03 ? 545 ARG A CB 1 ATOM 4427 C CG . ARG A 1 545 ? -4.669 -37.975 -19.144 1.00 30.51 ? 545 ARG A CG 1 ATOM 4428 C CD . ARG A 1 545 ? -4.726 -39.465 -19.455 1.00 32.78 ? 545 ARG A CD 1 ATOM 4429 N NE . ARG A 1 545 ? -6.044 -39.881 -19.950 1.00 34.86 ? 545 ARG A NE 1 ATOM 4430 C CZ . ARG A 1 545 ? -6.531 -39.585 -21.157 1.00 35.38 ? 545 ARG A CZ 1 ATOM 4431 N NH1 . ARG A 1 545 ? -5.823 -38.850 -22.012 1.00 34.98 ? 545 ARG A NH1 1 ATOM 4432 N NH2 . ARG A 1 545 ? -7.735 -40.018 -21.510 1.00 34.96 ? 545 ARG A NH2 1 ATOM 4433 N N . ALA A 1 546 ? -5.991 -35.366 -15.332 1.00 26.46 ? 546 ALA A N 1 ATOM 4434 C CA . ALA A 1 546 ? -6.823 -35.054 -14.169 1.00 27.11 ? 546 ALA A CA 1 ATOM 4435 C C . ALA A 1 546 ? -7.703 -33.832 -14.387 1.00 27.21 ? 546 ALA A C 1 ATOM 4436 O O . ALA A 1 546 ? -8.795 -33.740 -13.812 1.00 28.02 ? 546 ALA A O 1 ATOM 4437 C CB . ALA A 1 546 ? -5.946 -34.857 -12.933 1.00 27.29 ? 546 ALA A CB 1 ATOM 4438 N N . GLY A 1 547 ? -7.243 -32.892 -15.218 1.00 26.64 ? 547 GLY A N 1 ATOM 4439 C CA . GLY A 1 547 ? -7.943 -31.626 -15.389 1.00 26.41 ? 547 GLY A CA 1 ATOM 4440 C C . GLY A 1 547 ? -8.168 -30.987 -14.025 1.00 27.18 ? 547 GLY A C 1 ATOM 4441 O O . GLY A 1 547 ? -7.251 -30.967 -13.203 1.00 24.93 ? 547 GLY A O 1 ATOM 4442 N N . SER A 1 548 ? -9.380 -30.483 -13.775 1.00 27.83 ? 548 SER A N 1 ATOM 4443 C CA . SER A 1 548 ? -9.719 -29.931 -12.463 1.00 29.49 ? 548 SER A CA 1 ATOM 4444 C C . SER A 1 548 ? -10.631 -30.847 -11.652 1.00 31.05 ? 548 SER A C 1 ATOM 4445 O O . SER A 1 548 ? -11.366 -30.384 -10.781 1.00 32.79 ? 548 SER A O 1 ATOM 4446 C CB . SER A 1 548 ? -10.325 -28.527 -12.584 1.00 29.61 ? 548 SER A CB 1 ATOM 4447 O OG . SER A 1 548 ? -11.517 -28.558 -13.340 1.00 30.41 ? 548 SER A OG 1 ATOM 4448 N N . SER A 1 549 ? -10.562 -32.147 -11.919 1.00 32.11 ? 549 SER A N 1 ATOM 4449 C CA . SER A 1 549 ? -11.394 -33.124 -11.221 1.00 33.51 ? 549 SER A CA 1 ATOM 4450 C C . SER A 1 549 ? -11.041 -33.265 -9.733 1.00 33.02 ? 549 SER A C 1 ATOM 4451 O O . SER A 1 549 ? -11.862 -33.723 -8.944 1.00 32.41 ? 549 SER A O 1 ATOM 4452 C CB . SER A 1 549 ? -11.332 -34.484 -11.921 1.00 34.45 ? 549 SER A CB 1 ATOM 4453 O OG . SER A 1 549 ? -10.044 -35.070 -11.813 1.00 36.44 ? 549 SER A OG 1 ATOM 4454 N N . ARG A 1 550 ? -9.822 -32.868 -9.363 1.00 31.89 ? 550 ARG A N 1 ATOM 4455 C CA . ARG A 1 550 ? -9.323 -33.005 -7.988 1.00 31.45 ? 550 ARG A CA 1 ATOM 4456 C C . ARG A 1 550 ? -8.664 -31.700 -7.522 1.00 29.69 ? 550 ARG A C 1 ATOM 4457 O O . ARG A 1 550 ? -8.085 -30.982 -8.349 1.00 29.64 ? 550 ARG A O 1 ATOM 4458 C CB . ARG A 1 550 ? -8.330 -34.158 -7.897 1.00 32.56 ? 550 ARG A CB 1 ATOM 4459 C CG . ARG A 1 550 ? -8.854 -35.480 -8.452 1.00 35.99 ? 550 ARG A CG 1 ATOM 4460 C CD . ARG A 1 550 ? -7.715 -36.418 -8.822 1.00 37.38 ? 550 ARG A CD 1 ATOM 4461 N NE . ARG A 1 550 ? -6.882 -36.697 -7.658 1.00 39.25 ? 550 ARG A NE 1 ATOM 4462 C CZ . ARG A 1 550 ? -5.582 -36.966 -7.704 1.00 40.09 ? 550 ARG A CZ 1 ATOM 4463 N NH1 . ARG A 1 550 ? -4.940 -37.000 -8.865 1.00 40.27 ? 550 ARG A NH1 1 ATOM 4464 N NH2 . ARG A 1 550 ? -4.923 -37.191 -6.579 1.00 40.02 ? 550 ARG A NH2 1 ATOM 4465 N N . PRO A 1 551 ? -8.763 -31.374 -6.210 1.00 27.76 ? 551 PRO A N 1 ATOM 4466 C CA . PRO A 1 551 ? -8.138 -30.132 -5.729 1.00 26.86 ? 551 PRO A CA 1 ATOM 4467 C C . PRO A 1 551 ? -6.658 -30.108 -6.079 1.00 24.79 ? 551 PRO A C 1 ATOM 4468 O O . PRO A 1 551 ? -6.004 -31.152 -6.042 1.00 23.89 ? 551 PRO A O 1 ATOM 4469 C CB . PRO A 1 551 ? -8.334 -30.170 -4.204 1.00 27.74 ? 551 PRO A CB 1 ATOM 4470 C CG . PRO A 1 551 ? -8.946 -31.496 -3.884 1.00 29.23 ? 551 PRO A CG 1 ATOM 4471 C CD . PRO A 1 551 ? -9.499 -32.083 -5.145 1.00 28.92 ? 551 PRO A CD 1 ATOM 4472 N N . TRP A 1 552 ? -6.152 -28.936 -6.448 1.00 23.43 ? 552 TRP A N 1 ATOM 4473 C CA . TRP A 1 552 ? -4.771 -28.827 -6.912 1.00 22.75 ? 552 TRP A CA 1 ATOM 4474 C C . TRP A 1 552 ? -3.741 -29.248 -5.856 1.00 23.19 ? 552 TRP A C 1 ATOM 4475 O O . TRP A 1 552 ? -2.666 -29.736 -6.205 1.00 22.51 ? 552 TRP A O 1 ATOM 4476 C CB . TRP A 1 552 ? -4.464 -27.428 -7.458 1.00 21.93 ? 552 TRP A CB 1 ATOM 4477 C CG . TRP A 1 552 ? -4.414 -26.326 -6.446 1.00 21.87 ? 552 TRP A CG 1 ATOM 4478 C CD1 . TRP A 1 552 ? -5.426 -25.452 -6.126 1.00 21.84 ? 552 TRP A CD1 1 ATOM 4479 C CD2 . TRP A 1 552 ? -3.280 -25.939 -5.639 1.00 21.18 ? 552 TRP A CD2 1 ATOM 4480 N NE1 . TRP A 1 552 ? -4.986 -24.551 -5.166 1.00 21.51 ? 552 TRP A NE1 1 ATOM 4481 C CE2 . TRP A 1 552 ? -3.682 -24.834 -4.851 1.00 21.50 ? 552 TRP A CE2 1 ATOM 4482 C CE3 . TRP A 1 552 ? -1.966 -26.413 -5.518 1.00 21.34 ? 552 TRP A CE3 1 ATOM 4483 C CZ2 . TRP A 1 552 ? -2.817 -24.202 -3.946 1.00 21.51 ? 552 TRP A CZ2 1 ATOM 4484 C CZ3 . TRP A 1 552 ? -1.106 -25.789 -4.616 1.00 21.49 ? 552 TRP A CZ3 1 ATOM 4485 C CH2 . TRP A 1 552 ? -1.541 -24.696 -3.839 1.00 22.07 ? 552 TRP A CH2 1 ATOM 4486 N N . GLN A 1 553 ? -4.066 -29.053 -4.576 1.00 23.14 ? 553 GLN A N 1 ATOM 4487 C CA . GLN A 1 553 ? -3.146 -29.419 -3.497 1.00 24.12 ? 553 GLN A CA 1 ATOM 4488 C C . GLN A 1 553 ? -2.893 -30.927 -3.491 1.00 24.63 ? 553 GLN A C 1 ATOM 4489 O O . GLN A 1 553 ? -1.796 -31.383 -3.174 1.00 24.93 ? 553 GLN A O 1 ATOM 4490 C CB . GLN A 1 553 ? -3.672 -28.960 -2.128 1.00 24.45 ? 553 GLN A CB 1 ATOM 4491 C CG . GLN A 1 553 ? -3.713 -27.446 -1.933 1.00 24.87 ? 553 GLN A CG 1 ATOM 4492 C CD . GLN A 1 553 ? -5.041 -26.821 -2.348 1.00 25.69 ? 553 GLN A CD 1 ATOM 4493 O OE1 . GLN A 1 553 ? -5.850 -27.443 -3.043 1.00 25.81 ? 553 GLN A OE1 1 ATOM 4494 N NE2 . GLN A 1 553 ? -5.268 -25.581 -1.923 1.00 25.59 ? 553 GLN A NE2 1 ATOM 4495 N N . GLU A 1 554 ? -3.900 -31.699 -3.879 1.00 24.93 ? 554 GLU A N 1 ATOM 4496 C CA . GLU A 1 554 ? -3.776 -33.154 -3.886 1.00 25.72 ? 554 GLU A CA 1 ATOM 4497 C C . GLU A 1 554 ? -3.062 -33.639 -5.123 1.00 24.23 ? 554 GLU A C 1 ATOM 4498 O O . GLU A 1 554 ? -2.310 -34.606 -5.061 1.00 23.77 ? 554 GLU A O 1 ATOM 4499 C CB . GLU A 1 554 ? -5.140 -33.811 -3.835 1.00 28.05 ? 554 GLU A CB 1 ATOM 4500 C CG . GLU A 1 554 ? -5.872 -33.600 -2.528 1.00 31.45 ? 554 GLU A CG 1 ATOM 4501 C CD . GLU A 1 554 ? -7.231 -34.256 -2.552 1.00 33.49 ? 554 GLU A CD 1 ATOM 4502 O OE1 . GLU A 1 554 ? -7.381 -35.276 -3.269 1.00 34.45 ? 554 GLU A OE1 1 ATOM 4503 O OE2 . GLU A 1 554 ? -8.142 -33.744 -1.867 1.00 35.22 ? 554 GLU A OE2 1 ATOM 4504 N N . VAL A 1 555 ? -3.328 -32.978 -6.244 1.00 23.29 ? 555 VAL A N 1 ATOM 4505 C CA . VAL A 1 555 ? -2.650 -33.279 -7.514 1.00 23.60 ? 555 VAL A CA 1 ATOM 4506 C C . VAL A 1 555 ? -1.167 -32.972 -7.389 1.00 23.51 ? 555 VAL A C 1 ATOM 4507 O O . VAL A 1 555 ? -0.310 -33.737 -7.865 1.00 23.56 ? 555 VAL A O 1 ATOM 4508 C CB . VAL A 1 555 ? -3.270 -32.497 -8.700 1.00 23.38 ? 555 VAL A CB 1 ATOM 4509 C CG1 . VAL A 1 555 ? -2.505 -32.766 -9.997 1.00 23.62 ? 555 VAL A CG1 1 ATOM 4510 C CG2 . VAL A 1 555 ? -4.735 -32.890 -8.883 1.00 23.15 ? 555 VAL A CG2 1 ATOM 4511 N N . LEU A 1 556 ? -0.862 -31.853 -6.740 1.00 23.41 ? 556 LEU A N 1 ATOM 4512 C CA . LEU A 1 556 ? 0.535 -31.482 -6.508 1.00 23.02 ? 556 LEU A CA 1 ATOM 4513 C C . LEU A 1 556 ? 1.196 -32.502 -5.597 1.00 24.84 ? 556 LEU A C 1 ATOM 4514 O O . LEU A 1 556 ? 2.308 -32.965 -5.870 1.00 24.29 ? 556 LEU A O 1 ATOM 4515 C CB . LEU A 1 556 ? 0.631 -30.094 -5.899 1.00 21.57 ? 556 LEU A CB 1 ATOM 4516 C CG . LEU A 1 556 ? 2.037 -29.500 -5.805 1.00 20.64 ? 556 LEU A CG 1 ATOM 4517 C CD1 . LEU A 1 556 ? 2.714 -29.494 -7.177 1.00 20.08 ? 556 LEU A CD1 1 ATOM 4518 C CD2 . LEU A 1 556 ? 1.908 -28.093 -5.236 1.00 20.34 ? 556 LEU A CD2 1 ATOM 4519 N N . LYS A 1 557 ? 0.507 -32.860 -4.515 1.00 26.65 ? 557 LYS A N 1 ATOM 4520 C CA . LYS A 1 557 ? 1.029 -33.862 -3.577 1.00 29.80 ? 557 LYS A CA 1 ATOM 4521 C C . LYS A 1 557 ? 1.415 -35.160 -4.290 1.00 28.78 ? 557 LYS A C 1 ATOM 4522 O O . LYS A 1 557 ? 2.493 -35.699 -4.067 1.00 28.88 ? 557 LYS A O 1 ATOM 4523 C CB . LYS A 1 557 ? 0.022 -34.133 -2.453 1.00 31.19 ? 557 LYS A CB 1 ATOM 4524 C CG . LYS A 1 557 ? 0.377 -35.310 -1.556 1.00 36.29 ? 557 LYS A CG 1 ATOM 4525 C CD . LYS A 1 557 ? 1.167 -34.891 -0.320 1.00 39.14 ? 557 LYS A CD 1 ATOM 4526 C CE . LYS A 1 557 ? 1.320 -36.074 0.632 1.00 42.43 ? 557 LYS A CE 1 ATOM 4527 N NZ . LYS A 1 557 ? 1.233 -35.644 2.057 1.00 44.41 ? 557 LYS A NZ 1 ATOM 4528 N N . ASP A 1 558 ? 0.536 -35.648 -5.155 1.00 29.07 ? 558 ASP A N 1 ATOM 4529 C CA . ASP A 1 558 ? 0.793 -36.880 -5.893 1.00 29.84 ? 558 ASP A CA 1 ATOM 4530 C C . ASP A 1 558 ? 1.981 -36.784 -6.836 1.00 29.67 ? 558 ASP A C 1 ATOM 4531 O O . ASP A 1 558 ? 2.679 -37.778 -7.051 1.00 27.96 ? 558 ASP A O 1 ATOM 4532 C CB . ASP A 1 558 ? -0.447 -37.305 -6.684 1.00 33.03 ? 558 ASP A CB 1 ATOM 4533 C CG . ASP A 1 558 ? -1.516 -37.940 -5.809 1.00 35.67 ? 558 ASP A CG 1 ATOM 4534 O OD1 . ASP A 1 558 ? -1.245 -38.232 -4.617 1.00 37.00 ? 558 ASP A OD1 1 ATOM 4535 O OD2 . ASP A 1 558 ? -2.632 -38.151 -6.327 1.00 37.93 ? 558 ASP A OD2 1 ATOM 4536 N N . MET A 1 559 ? 2.208 -35.591 -7.388 1.00 28.66 ? 559 MET A N 1 ATOM 4537 C CA . MET A 1 559 ? 3.266 -35.397 -8.369 1.00 28.75 ? 559 MET A CA 1 ATOM 4538 C C . MET A 1 559 ? 4.627 -35.140 -7.719 1.00 29.11 ? 559 MET A C 1 ATOM 4539 O O . MET A 1 559 ? 5.647 -35.645 -8.170 1.00 28.85 ? 559 MET A O 1 ATOM 4540 C CB . MET A 1 559 ? 2.912 -34.248 -9.312 1.00 28.80 ? 559 MET A CB 1 ATOM 4541 C CG . MET A 1 559 ? 3.747 -34.250 -10.584 1.00 31.12 ? 559 MET A CG 1 ATOM 4542 S SD . MET A 1 559 ? 3.868 -32.599 -11.271 1.00 34.55 ? 559 MET A SD 1 ATOM 4543 C CE . MET A 1 559 ? 4.837 -32.872 -12.753 1.00 31.28 ? 559 MET A CE 1 ATOM 4544 N N . VAL A 1 560 ? 4.616 -34.375 -6.640 1.00 27.86 ? 560 VAL A N 1 ATOM 4545 C CA . VAL A 1 560 ? 5.792 -33.700 -6.150 1.00 29.25 ? 560 VAL A CA 1 ATOM 4546 C C . VAL A 1 560 ? 6.105 -34.118 -4.708 1.00 29.56 ? 560 VAL A C 1 ATOM 4547 O O . VAL A 1 560 ? 7.245 -33.992 -4.250 1.00 29.57 ? 560 VAL A O 1 ATOM 4548 C CB . VAL A 1 560 ? 5.547 -32.177 -6.320 1.00 29.59 ? 560 VAL A CB 1 ATOM 4549 C CG1 . VAL A 1 560 ? 5.807 -31.369 -5.064 1.00 29.53 ? 560 VAL A CG1 1 ATOM 4550 C CG2 . VAL A 1 560 ? 6.233 -31.654 -7.570 1.00 29.13 ? 560 VAL A CG2 1 ATOM 4551 N N . GLY A 1 561 ? 5.096 -34.636 -4.007 1.00 28.59 ? 561 GLY A N 1 ATOM 4552 C CA . GLY A 1 561 ? 5.278 -35.108 -2.625 1.00 29.13 ? 561 GLY A CA 1 ATOM 4553 C C . GLY A 1 561 ? 4.951 -34.053 -1.580 1.00 29.94 ? 561 GLY A C 1 ATOM 4554 O O . GLY A 1 561 ? 5.101 -34.282 -0.376 1.00 30.27 ? 561 GLY A O 1 ATOM 4555 N N . LEU A 1 562 ? 4.492 -32.893 -2.041 1.00 29.43 ? 562 LEU A N 1 ATOM 4556 C CA . LEU A 1 562 ? 4.138 -31.802 -1.153 1.00 29.93 ? 562 LEU A CA 1 ATOM 4557 C C . LEU A 1 562 ? 2.834 -31.212 -1.653 1.00 29.19 ? 562 LEU A C 1 ATOM 4558 O O . LEU A 1 562 ? 2.587 -31.168 -2.867 1.00 27.58 ? 562 LEU A O 1 ATOM 4559 C CB . LEU A 1 562 ? 5.256 -30.745 -1.140 1.00 32.13 ? 562 LEU A CB 1 ATOM 4560 C CG . LEU A 1 562 ? 5.223 -29.619 -0.096 1.00 34.44 ? 562 LEU A CG 1 ATOM 4561 C CD1 . LEU A 1 562 ? 5.461 -30.134 1.317 1.00 35.23 ? 562 LEU A CD1 1 ATOM 4562 C CD2 . LEU A 1 562 ? 6.264 -28.561 -0.439 1.00 35.60 ? 562 LEU A CD2 1 ATOM 4563 N N . ASP A 1 563 ? 1.996 -30.760 -0.728 1.00 28.35 ? 563 ASP A N 1 ATOM 4564 C CA . ASP A 1 563 ? 0.682 -30.250 -1.102 1.00 29.35 ? 563 ASP A CA 1 ATOM 4565 C C . ASP A 1 563 ? 0.640 -28.724 -1.160 1.00 27.69 ? 563 ASP A C 1 ATOM 4566 O O . ASP A 1 563 ? -0.431 -28.128 -1.095 1.00 28.03 ? 563 ASP A O 1 ATOM 4567 C CB . ASP A 1 563 ? -0.409 -30.804 -0.167 1.00 31.87 ? 563 ASP A CB 1 ATOM 4568 C CG . ASP A 1 563 ? -0.292 -30.288 1.259 1.00 34.48 ? 563 ASP A CG 1 ATOM 4569 O OD1 . ASP A 1 563 ? 0.543 -29.400 1.537 1.00 35.97 ? 563 ASP A OD1 1 ATOM 4570 O OD2 . ASP A 1 563 ? -1.056 -30.777 2.115 1.00 37.69 ? 563 ASP A OD2 1 ATOM 4571 N N . ALA A 1 564 ? 1.803 -28.091 -1.284 1.00 26.19 ? 564 ALA A N 1 ATOM 4572 C CA . ALA A 1 564 ? 1.853 -26.630 -1.305 1.00 24.51 ? 564 ALA A CA 1 ATOM 4573 C C . ALA A 1 564 ? 2.894 -26.107 -2.278 1.00 23.58 ? 564 ALA A C 1 ATOM 4574 O O . ALA A 1 564 ? 3.837 -26.821 -2.632 1.00 24.32 ? 564 ALA A O 1 ATOM 4575 C CB . ALA A 1 564 ? 2.095 -26.081 0.104 1.00 24.52 ? 564 ALA A CB 1 ATOM 4576 N N . LEU A 1 565 ? 2.722 -24.861 -2.713 1.00 22.96 ? 565 LEU A N 1 ATOM 4577 C CA . LEU A 1 565 ? 3.767 -24.171 -3.463 1.00 23.01 ? 565 LEU A CA 1 ATOM 4578 C C . LEU A 1 565 ? 4.990 -24.052 -2.562 1.00 23.91 ? 565 LEU A C 1 ATOM 4579 O O . LEU A 1 565 ? 4.863 -23.850 -1.357 1.00 23.09 ? 565 LEU A O 1 ATOM 4580 C CB . LEU A 1 565 ? 3.309 -22.784 -3.918 1.00 23.51 ? 565 LEU A CB 1 ATOM 4581 C CG . LEU A 1 565 ? 2.046 -22.747 -4.790 1.00 23.40 ? 565 LEU A CG 1 ATOM 4582 C CD1 . LEU A 1 565 ? 1.546 -21.327 -4.990 1.00 23.86 ? 565 LEU A CD1 1 ATOM 4583 C CD2 . LEU A 1 565 ? 2.300 -23.417 -6.132 1.00 24.34 ? 565 LEU A CD2 1 ATOM 4584 N N . ASP A 1 566 ? 6.165 -24.218 -3.154 1.00 23.17 ? 566 ASP A N 1 ATOM 4585 C CA . ASP A 1 566 ? 7.407 -24.276 -2.403 1.00 23.57 ? 566 ASP A CA 1 ATOM 4586 C C . ASP A 1 566 ? 8.500 -23.706 -3.299 1.00 22.45 ? 566 ASP A C 1 ATOM 4587 O O . ASP A 1 566 ? 8.657 -24.147 -4.447 1.00 20.86 ? 566 ASP A O 1 ATOM 4588 C CB . ASP A 1 566 ? 7.711 -25.728 -2.039 1.00 25.38 ? 566 ASP A CB 1 ATOM 4589 C CG . ASP A 1 566 ? 9.011 -25.898 -1.260 1.00 28.82 ? 566 ASP A CG 1 ATOM 4590 O OD1 . ASP A 1 566 ? 9.683 -24.907 -0.919 1.00 29.24 ? 566 ASP A OD1 1 ATOM 4591 O OD2 . ASP A 1 566 ? 9.366 -27.063 -0.987 1.00 32.44 ? 566 ASP A OD2 1 ATOM 4592 N N . ALA A 1 567 ? 9.236 -22.736 -2.760 1.00 21.90 ? 567 ALA A N 1 ATOM 4593 C CA . ALA A 1 567 ? 10.355 -22.084 -3.455 1.00 21.68 ? 567 ALA A CA 1 ATOM 4594 C C . ALA A 1 567 ? 11.669 -22.877 -3.418 1.00 21.61 ? 567 ALA A C 1 ATOM 4595 O O . ALA A 1 567 ? 12.613 -22.542 -4.136 1.00 20.80 ? 567 ALA A O 1 ATOM 4596 C CB . ALA A 1 567 ? 10.591 -20.699 -2.869 1.00 22.23 ? 567 ALA A CB 1 ATOM 4597 N N . GLN A 1 568 ? 11.750 -23.899 -2.571 1.00 21.41 ? 568 GLN A N 1 ATOM 4598 C CA . GLN A 1 568 ? 12.995 -24.649 -2.429 1.00 22.32 ? 568 GLN A CA 1 ATOM 4599 C C . GLN A 1 568 ? 13.583 -25.227 -3.746 1.00 20.34 ? 568 GLN A C 1 ATOM 4600 O O . GLN A 1 568 ? 14.795 -25.112 -3.969 1.00 19.84 ? 568 GLN A O 1 ATOM 4601 C CB . GLN A 1 568 ? 12.886 -25.717 -1.334 1.00 25.38 ? 568 GLN A CB 1 ATOM 4602 C CG . GLN A 1 568 ? 14.226 -26.218 -0.821 1.00 31.03 ? 568 GLN A CG 1 ATOM 4603 C CD . GLN A 1 568 ? 15.192 -25.082 -0.496 1.00 33.34 ? 568 GLN A CD 1 ATOM 4604 O OE1 . GLN A 1 568 ? 14.870 -24.169 0.279 1.00 35.48 ? 568 GLN A OE1 1 ATOM 4605 N NE2 . GLN A 1 568 ? 16.376 -25.125 -1.102 1.00 34.73 ? 568 GLN A NE2 1 ATOM 4606 N N . PRO A 1 569 ? 12.748 -25.858 -4.601 1.00 18.76 ? 569 PRO A N 1 ATOM 4607 C CA . PRO A 1 569 ? 13.280 -26.365 -5.877 1.00 18.13 ? 569 PRO A CA 1 ATOM 4608 C C . PRO A 1 569 ? 13.888 -25.278 -6.779 1.00 17.66 ? 569 PRO A C 1 ATOM 4609 O O . PRO A 1 569 ? 14.940 -25.506 -7.367 1.00 17.70 ? 569 PRO A O 1 ATOM 4610 C CB . PRO A 1 569 ? 12.055 -27.025 -6.526 1.00 17.65 ? 569 PRO A CB 1 ATOM 4611 C CG . PRO A 1 569 ? 11.258 -27.500 -5.347 1.00 18.45 ? 569 PRO A CG 1 ATOM 4612 C CD . PRO A 1 569 ? 11.384 -26.360 -4.359 1.00 18.38 ? 569 PRO A CD 1 ATOM 4613 N N . LEU A 1 570 ? 13.250 -24.113 -6.868 1.00 16.94 ? 570 LEU A N 1 ATOM 4614 C CA . LEU A 1 570 ? 13.817 -22.997 -7.621 1.00 16.65 ? 570 LEU A CA 1 ATOM 4615 C C . LEU A 1 570 ? 15.162 -22.545 -7.010 1.00 17.17 ? 570 LEU A C 1 ATOM 4616 O O . LEU A 1 570 ? 16.131 -22.303 -7.741 1.00 16.20 ? 570 LEU A O 1 ATOM 4617 C CB . LEU A 1 570 ? 12.832 -21.832 -7.648 1.00 16.16 ? 570 LEU A CB 1 ATOM 4618 C CG . LEU A 1 570 ? 13.180 -20.607 -8.503 1.00 16.06 ? 570 LEU A CG 1 ATOM 4619 C CD1 . LEU A 1 570 ? 11.904 -19.847 -8.817 1.00 15.44 ? 570 LEU A CD1 1 ATOM 4620 C CD2 . LEU A 1 570 ? 14.172 -19.693 -7.801 1.00 15.96 ? 570 LEU A CD2 1 ATOM 4621 N N . LEU A 1 571 ? 15.202 -22.439 -5.676 1.00 17.54 ? 571 LEU A N 1 ATOM 4622 C CA . LEU A 1 571 ? 16.436 -22.064 -4.971 1.00 18.64 ? 571 LEU A CA 1 ATOM 4623 C C . LEU A 1 571 ? 17.542 -23.094 -5.213 1.00 19.06 ? 571 LEU A C 1 ATOM 4624 O O . LEU A 1 571 ? 18.684 -22.730 -5.464 1.00 18.70 ? 571 LEU A O 1 ATOM 4625 C CB . LEU A 1 571 ? 16.181 -21.914 -3.463 1.00 18.97 ? 571 LEU A CB 1 ATOM 4626 C CG . LEU A 1 571 ? 15.234 -20.788 -3.034 1.00 19.08 ? 571 LEU A CG 1 ATOM 4627 C CD1 . LEU A 1 571 ? 14.925 -20.875 -1.538 1.00 19.69 ? 571 LEU A CD1 1 ATOM 4628 C CD2 . LEU A 1 571 ? 15.820 -19.437 -3.400 1.00 19.18 ? 571 LEU A CD2 1 ATOM 4629 N N . LYS A 1 572 ? 17.185 -24.375 -5.143 1.00 19.89 ? 572 LYS A N 1 ATOM 4630 C CA . LYS A 1 572 ? 18.121 -25.464 -5.382 1.00 21.45 ? 572 LYS A CA 1 ATOM 4631 C C . LYS A 1 572 ? 18.716 -25.367 -6.784 1.00 20.37 ? 572 LYS A C 1 ATOM 4632 O O . LYS A 1 572 ? 19.935 -25.469 -6.957 1.00 19.87 ? 572 LYS A O 1 ATOM 4633 C CB . LYS A 1 572 ? 17.427 -26.808 -5.204 1.00 24.73 ? 572 LYS A CB 1 ATOM 4634 C CG . LYS A 1 572 ? 18.356 -28.004 -5.288 1.00 29.81 ? 572 LYS A CG 1 ATOM 4635 C CD . LYS A 1 572 ? 17.647 -29.245 -4.773 1.00 33.45 ? 572 LYS A CD 1 ATOM 4636 C CE . LYS A 1 572 ? 18.274 -30.513 -5.344 1.00 37.68 ? 572 LYS A CE 1 ATOM 4637 N NZ . LYS A 1 572 ? 17.224 -31.569 -5.507 1.00 39.46 ? 572 LYS A NZ 1 ATOM 4638 N N . TYR A 1 573 ? 17.847 -25.117 -7.762 1.00 18.31 ? 573 TYR A N 1 ATOM 4639 C CA . TYR A 1 573 ? 18.217 -25.034 -9.173 1.00 17.67 ? 573 TYR A CA 1 ATOM 4640 C C . TYR A 1 573 ? 19.220 -23.910 -9.386 1.00 17.46 ? 573 TYR A C 1 ATOM 4641 O O . TYR A 1 573 ? 20.210 -24.076 -10.116 1.00 17.83 ? 573 TYR A O 1 ATOM 4642 C CB . TYR A 1 573 ? 16.945 -24.786 -10.008 1.00 17.10 ? 573 TYR A CB 1 ATOM 4643 C CG . TYR A 1 573 ? 17.139 -24.588 -11.515 1.00 17.00 ? 573 TYR A CG 1 ATOM 4644 C CD1 . TYR A 1 573 ? 17.626 -23.377 -12.034 1.00 16.70 ? 573 TYR A CD1 1 ATOM 4645 C CD2 . TYR A 1 573 ? 16.829 -25.608 -12.407 1.00 16.38 ? 573 TYR A CD2 1 ATOM 4646 C CE1 . TYR A 1 573 ? 17.794 -23.202 -13.404 1.00 16.88 ? 573 TYR A CE1 1 ATOM 4647 C CE2 . TYR A 1 573 ? 16.982 -25.445 -13.783 1.00 16.22 ? 573 TYR A CE2 1 ATOM 4648 C CZ . TYR A 1 573 ? 17.453 -24.247 -14.276 1.00 16.40 ? 573 TYR A CZ 1 ATOM 4649 O OH . TYR A 1 573 ? 17.608 -24.099 -15.626 1.00 15.81 ? 573 TYR A OH 1 ATOM 4650 N N . PHE A 1 574 ? 18.977 -22.775 -8.737 1.00 16.92 ? 574 PHE A N 1 ATOM 4651 C CA . PHE A 1 574 ? 19.794 -21.585 -8.967 1.00 17.32 ? 574 PHE A CA 1 ATOM 4652 C C . PHE A 1 574 ? 20.972 -21.426 -7.996 1.00 18.27 ? 574 PHE A C 1 ATOM 4653 O O . PHE A 1 574 ? 21.767 -20.488 -8.133 1.00 18.40 ? 574 PHE A O 1 ATOM 4654 C CB . PHE A 1 574 ? 18.913 -20.329 -8.948 1.00 16.93 ? 574 PHE A CB 1 ATOM 4655 C CG . PHE A 1 574 ? 18.152 -20.103 -10.225 1.00 16.60 ? 574 PHE A CG 1 ATOM 4656 C CD1 . PHE A 1 574 ? 18.810 -19.654 -11.380 1.00 16.39 ? 574 PHE A CD1 1 ATOM 4657 C CD2 . PHE A 1 574 ? 16.776 -20.346 -10.288 1.00 16.45 ? 574 PHE A CD2 1 ATOM 4658 C CE1 . PHE A 1 574 ? 18.102 -19.450 -12.563 1.00 16.40 ? 574 PHE A CE1 1 ATOM 4659 C CE2 . PHE A 1 574 ? 16.069 -20.144 -11.462 1.00 15.98 ? 574 PHE A CE2 1 ATOM 4660 C CZ . PHE A 1 574 ? 16.728 -19.696 -12.603 1.00 15.99 ? 574 PHE A CZ 1 ATOM 4661 N N . GLN A 1 575 ? 21.079 -22.337 -7.032 1.00 19.37 ? 575 GLN A N 1 ATOM 4662 C CA . GLN A 1 575 ? 22.002 -22.232 -5.894 1.00 22.02 ? 575 GLN A CA 1 ATOM 4663 C C . GLN A 1 575 ? 23.429 -21.764 -6.243 1.00 21.81 ? 575 GLN A C 1 ATOM 4664 O O . GLN A 1 575 ? 23.959 -20.835 -5.609 1.00 22.33 ? 575 GLN A O 1 ATOM 4665 C CB . GLN A 1 575 ? 22.009 -23.564 -5.121 1.00 25.59 ? 575 GLN A CB 1 ATOM 4666 C CG . GLN A 1 575 ? 23.118 -23.714 -4.082 1.00 31.20 ? 575 GLN A CG 1 ATOM 4667 C CD . GLN A 1 575 ? 23.258 -25.141 -3.554 1.00 35.42 ? 575 GLN A CD 1 ATOM 4668 O OE1 . GLN A 1 575 ? 23.015 -26.123 -4.273 1.00 38.06 ? 575 GLN A OE1 1 ATOM 4669 N NE2 . GLN A 1 575 ? 23.656 -25.262 -2.285 1.00 37.59 ? 575 GLN A NE2 1 ATOM 4670 N N . LEU A 1 576 ? 24.037 -22.361 -7.263 1.00 21.34 ? 576 LEU A N 1 ATOM 4671 C CA . LEU A 1 576 ? 25.406 -21.975 -7.665 1.00 21.86 ? 576 LEU A CA 1 ATOM 4672 C C . LEU A 1 576 ? 25.556 -20.504 -8.077 1.00 21.19 ? 576 LEU A C 1 ATOM 4673 O O . LEU A 1 576 ? 26.525 -19.834 -7.681 1.00 20.37 ? 576 LEU A O 1 ATOM 4674 C CB . LEU A 1 576 ? 25.924 -22.874 -8.784 1.00 22.62 ? 576 LEU A CB 1 ATOM 4675 C CG . LEU A 1 576 ? 26.307 -24.301 -8.385 1.00 24.10 ? 576 LEU A CG 1 ATOM 4676 C CD1 . LEU A 1 576 ? 26.496 -25.119 -9.660 1.00 23.85 ? 576 LEU A CD1 1 ATOM 4677 C CD2 . LEU A 1 576 ? 27.582 -24.316 -7.532 1.00 24.31 ? 576 LEU A CD2 1 ATOM 4678 N N . VAL A 1 577 ? 24.602 -20.001 -8.857 1.00 20.07 ? 577 VAL A N 1 ATOM 4679 C CA . VAL A 1 577 ? 24.676 -18.617 -9.338 1.00 19.86 ? 577 VAL A CA 1 ATOM 4680 C C . VAL A 1 577 ? 24.185 -17.641 -8.265 1.00 19.64 ? 577 VAL A C 1 ATOM 4681 O O . VAL A 1 577 ? 24.611 -16.503 -8.246 1.00 19.74 ? 577 VAL A O 1 ATOM 4682 C CB . VAL A 1 577 ? 23.963 -18.407 -10.711 1.00 19.58 ? 577 VAL A CB 1 ATOM 4683 C CG1 . VAL A 1 577 ? 22.456 -18.222 -10.546 1.00 18.51 ? 577 VAL A CG1 1 ATOM 4684 C CG2 . VAL A 1 577 ? 24.561 -17.213 -11.462 1.00 19.63 ? 577 VAL A CG2 1 ATOM 4685 N N . THR A 1 578 ? 23.293 -18.093 -7.380 1.00 20.00 ? 578 THR A N 1 ATOM 4686 C CA . THR A 1 578 ? 22.865 -17.283 -6.243 1.00 20.14 ? 578 THR A CA 1 ATOM 4687 C C . THR A 1 578 ? 24.094 -16.917 -5.374 1.00 21.36 ? 578 THR A C 1 ATOM 4688 O O . THR A 1 578 ? 24.314 -15.751 -5.037 1.00 21.24 ? 578 THR A O 1 ATOM 4689 C CB . THR A 1 578 ? 21.796 -18.016 -5.412 1.00 20.20 ? 578 THR A CB 1 ATOM 4690 O OG1 . THR A 1 578 ? 20.614 -18.225 -6.215 1.00 20.01 ? 578 THR A OG1 1 ATOM 4691 C CG2 . THR A 1 578 ? 21.418 -17.218 -4.141 1.00 19.90 ? 578 THR A CG2 1 ATOM 4692 N N . GLN A 1 579 ? 24.890 -17.923 -5.028 1.00 22.01 ? 579 GLN A N 1 ATOM 4693 C CA . GLN A 1 579 ? 26.117 -17.716 -4.260 1.00 24.24 ? 579 GLN A CA 1 ATOM 4694 C C . GLN A 1 579 ? 27.138 -16.870 -5.041 1.00 23.37 ? 579 GLN A C 1 ATOM 4695 O O . GLN A 1 579 ? 27.739 -15.955 -4.490 1.00 24.87 ? 579 GLN A O 1 ATOM 4696 C CB . GLN A 1 579 ? 26.700 -19.075 -3.838 1.00 25.87 ? 579 GLN A CB 1 ATOM 4697 C CG . GLN A 1 579 ? 28.007 -19.019 -3.057 1.00 29.98 ? 579 GLN A CG 1 ATOM 4698 C CD . GLN A 1 579 ? 27.889 -18.351 -1.697 1.00 32.30 ? 579 GLN A CD 1 ATOM 4699 O OE1 . GLN A 1 579 ? 26.824 -18.340 -1.076 1.00 34.95 ? 579 GLN A OE1 1 ATOM 4700 N NE2 . GLN A 1 579 ? 29.001 -17.800 -1.219 1.00 34.51 ? 579 GLN A NE2 1 ATOM 4701 N N . TRP A 1 580 ? 27.313 -17.161 -6.324 1.00 22.95 ? 580 TRP A N 1 ATOM 4702 C CA . TRP A 1 580 ? 28.268 -16.432 -7.169 1.00 23.03 ? 580 TRP A CA 1 ATOM 4703 C C . TRP A 1 580 ? 27.960 -14.929 -7.319 1.00 22.96 ? 580 TRP A C 1 ATOM 4704 O O . TRP A 1 580 ? 28.870 -14.096 -7.258 1.00 23.03 ? 580 TRP A O 1 ATOM 4705 C CB . TRP A 1 580 ? 28.358 -17.091 -8.543 1.00 22.95 ? 580 TRP A CB 1 ATOM 4706 C CG . TRP A 1 580 ? 29.478 -16.558 -9.411 1.00 24.18 ? 580 TRP A CG 1 ATOM 4707 C CD1 . TRP A 1 580 ? 30.785 -16.994 -9.443 1.00 24.27 ? 580 TRP A CD1 1 ATOM 4708 C CD2 . TRP A 1 580 ? 29.377 -15.514 -10.381 1.00 24.18 ? 580 TRP A CD2 1 ATOM 4709 N NE1 . TRP A 1 580 ? 31.500 -16.276 -10.383 1.00 25.14 ? 580 TRP A NE1 1 ATOM 4710 C CE2 . TRP A 1 580 ? 30.663 -15.359 -10.968 1.00 25.14 ? 580 TRP A CE2 1 ATOM 4711 C CE3 . TRP A 1 580 ? 28.324 -14.689 -10.818 1.00 23.96 ? 580 TRP A CE3 1 ATOM 4712 C CZ2 . TRP A 1 580 ? 30.923 -14.404 -11.956 1.00 25.23 ? 580 TRP A CZ2 1 ATOM 4713 C CZ3 . TRP A 1 580 ? 28.585 -13.736 -11.800 1.00 24.05 ? 580 TRP A CZ3 1 ATOM 4714 C CH2 . TRP A 1 580 ? 29.875 -13.607 -12.363 1.00 24.71 ? 580 TRP A CH2 1 ATOM 4715 N N . LEU A 1 581 ? 26.684 -14.589 -7.519 1.00 22.39 ? 581 LEU A N 1 ATOM 4716 C CA . LEU A 1 581 ? 26.265 -13.198 -7.684 1.00 22.88 ? 581 LEU A CA 1 ATOM 4717 C C . LEU A 1 581 ? 26.426 -12.421 -6.380 1.00 23.83 ? 581 LEU A C 1 ATOM 4718 O O . LEU A 1 581 ? 26.803 -11.256 -6.396 1.00 23.44 ? 581 LEU A O 1 ATOM 4719 C CB . LEU A 1 581 ? 24.803 -13.109 -8.142 1.00 22.75 ? 581 LEU A CB 1 ATOM 4720 C CG . LEU A 1 581 ? 24.495 -13.465 -9.598 1.00 23.14 ? 581 LEU A CG 1 ATOM 4721 C CD1 . LEU A 1 581 ? 23.000 -13.731 -9.763 1.00 22.61 ? 581 LEU A CD1 1 ATOM 4722 C CD2 . LEU A 1 581 ? 24.960 -12.355 -10.530 1.00 22.60 ? 581 LEU A CD2 1 ATOM 4723 N N . GLN A 1 582 ? 26.121 -13.085 -5.269 1.00 24.81 ? 582 GLN A N 1 ATOM 4724 C CA . GLN A 1 582 ? 26.266 -12.508 -3.950 1.00 28.05 ? 582 GLN A CA 1 ATOM 4725 C C . GLN A 1 582 ? 27.733 -12.175 -3.712 1.00 28.02 ? 582 GLN A C 1 ATOM 4726 O O . GLN A 1 582 ? 28.052 -11.078 -3.266 1.00 27.80 ? 582 GLN A O 1 ATOM 4727 C CB . GLN A 1 582 ? 25.765 -13.489 -2.902 1.00 30.09 ? 582 GLN A CB 1 ATOM 4728 C CG . GLN A 1 582 ? 25.338 -12.864 -1.596 1.00 34.75 ? 582 GLN A CG 1 ATOM 4729 C CD . GLN A 1 582 ? 24.860 -13.919 -0.618 1.00 37.63 ? 582 GLN A CD 1 ATOM 4730 O OE1 . GLN A 1 582 ? 23.669 -14.216 -0.550 1.00 37.87 ? 582 GLN A OE1 1 ATOM 4731 N NE2 . GLN A 1 582 ? 25.795 -14.521 0.114 1.00 37.97 ? 582 GLN A NE2 1 ATOM 4732 N N . GLU A 1 583 ? 28.616 -13.119 -4.042 1.00 28.17 ? 583 GLU A N 1 ATOM 4733 C CA . GLU A 1 583 ? 30.063 -12.928 -3.883 1.00 29.23 ? 583 GLU A CA 1 ATOM 4734 C C . GLU A 1 583 ? 30.592 -11.793 -4.756 1.00 29.19 ? 583 GLU A C 1 ATOM 4735 O O . GLU A 1 583 ? 31.345 -10.941 -4.277 1.00 30.10 ? 583 GLU A O 1 ATOM 4736 C CB . GLU A 1 583 ? 30.822 -14.217 -4.206 1.00 30.51 ? 583 GLU A CB 1 ATOM 4737 C CG . GLU A 1 583 ? 30.758 -15.288 -3.132 1.00 32.18 ? 583 GLU A CG 1 ATOM 4738 C CD . GLU A 1 583 ? 31.140 -16.671 -3.655 1.00 33.98 ? 583 GLU A CD 1 ATOM 4739 O OE1 . GLU A 1 583 ? 31.373 -16.830 -4.873 1.00 34.27 ? 583 GLU A OE1 1 ATOM 4740 O OE2 . GLU A 1 583 ? 31.206 -17.611 -2.839 1.00 34.90 ? 583 GLU A OE2 1 ATOM 4741 N N . GLN A 1 584 ? 30.202 -11.796 -6.029 1.00 27.85 ? 584 GLN A N 1 ATOM 4742 C CA . GLN A 1 584 ? 30.588 -10.755 -6.985 1.00 27.91 ? 584 GLN A CA 1 ATOM 4743 C C . GLN A 1 584 ? 30.123 -9.353 -6.578 1.00 27.84 ? 584 GLN A C 1 ATOM 4744 O O . GLN A 1 584 ? 30.910 -8.408 -6.640 1.00 26.31 ? 584 GLN A O 1 ATOM 4745 C CB . GLN A 1 584 ? 30.085 -11.082 -8.398 1.00 27.12 ? 584 GLN A CB 1 ATOM 4746 C CG . GLN A 1 584 ? 30.720 -12.329 -9.007 1.00 27.40 ? 584 GLN A CG 1 ATOM 4747 C CD . GLN A 1 584 ? 32.213 -12.174 -9.236 1.00 28.20 ? 584 GLN A CD 1 ATOM 4748 O OE1 . GLN A 1 584 ? 32.640 -11.290 -9.968 1.00 28.48 ? 584 GLN A OE1 1 ATOM 4749 N NE2 . GLN A 1 584 ? 33.009 -13.031 -8.607 1.00 27.94 ? 584 GLN A NE2 1 ATOM 4750 N N . ASN A 1 585 ? 28.850 -9.225 -6.190 1.00 26.36 ? 585 ASN A N 1 ATOM 4751 C CA . ASN A 1 585 ? 28.308 -7.936 -5.765 1.00 27.29 ? 585 ASN A CA 1 ATOM 4752 C C . ASN A 1 585 ? 29.096 -7.361 -4.568 1.00 28.96 ? 585 ASN A C 1 ATOM 4753 O O . ASN A 1 585 ? 29.445 -6.181 -4.562 1.00 28.62 ? 585 ASN A O 1 ATOM 4754 C CB . ASN A 1 585 ? 26.791 -8.031 -5.484 1.00 25.94 ? 585 ASN A CB 1 ATOM 4755 C CG . ASN A 1 585 ? 25.966 -8.150 -6.759 1.00 24.81 ? 585 ASN A CG 1 ATOM 4756 O OD1 . ASN A 1 585 ? 26.373 -7.652 -7.808 1.00 24.03 ? 585 ASN A OD1 1 ATOM 4757 N ND2 . ASN A 1 585 ? 24.785 -8.789 -6.672 1.00 22.93 ? 585 ASN A ND2 1 ATOM 4758 N N . GLN A 1 586 ? 29.407 -8.219 -3.594 1.00 31.68 ? 586 GLN A N 1 ATOM 4759 C CA . GLN A 1 586 ? 30.181 -7.832 -2.408 1.00 34.65 ? 586 GLN A CA 1 ATOM 4760 C C . GLN A 1 586 ? 31.583 -7.363 -2.797 1.00 35.32 ? 586 GLN A C 1 ATOM 4761 O O . GLN A 1 586 ? 31.996 -6.260 -2.429 1.00 34.71 ? 586 GLN A O 1 ATOM 4762 C CB . GLN A 1 586 ? 30.257 -8.988 -1.400 1.00 36.74 ? 586 GLN A CB 1 ATOM 4763 C CG . GLN A 1 586 ? 28.998 -9.157 -0.563 1.00 41.21 ? 586 GLN A CG 1 ATOM 4764 C CD . GLN A 1 586 ? 28.897 -10.524 0.105 1.00 45.04 ? 586 GLN A CD 1 ATOM 4765 O OE1 . GLN A 1 586 ? 29.786 -11.367 -0.032 1.00 47.04 ? 586 GLN A OE1 1 ATOM 4766 N NE2 . GLN A 1 586 ? 27.800 -10.750 0.827 1.00 45.01 ? 586 GLN A NE2 1 ATOM 4767 N N . GLN A 1 587 ? 32.283 -8.192 -3.568 1.00 34.80 ? 587 GLN A N 1 ATOM 4768 C CA . GLN A 1 587 ? 33.590 -7.844 -4.117 1.00 36.35 ? 587 GLN A CA 1 ATOM 4769 C C . GLN A 1 587 ? 33.569 -6.557 -4.941 1.00 36.36 ? 587 GLN A C 1 ATOM 4770 O O . GLN A 1 587 ? 34.532 -5.790 -4.906 1.00 35.60 ? 587 GLN A O 1 ATOM 4771 C CB . GLN A 1 587 ? 34.153 -8.992 -4.952 1.00 37.31 ? 587 GLN A CB 1 ATOM 4772 C CG . GLN A 1 587 ? 34.580 -10.198 -4.127 1.00 40.56 ? 587 GLN A CG 1 ATOM 4773 C CD . GLN A 1 587 ? 35.017 -11.368 -4.990 1.00 42.06 ? 587 GLN A CD 1 ATOM 4774 O OE1 . GLN A 1 587 ? 35.740 -11.194 -5.973 1.00 44.44 ? 587 GLN A OE1 1 ATOM 4775 N NE2 . GLN A 1 587 ? 34.588 -12.568 -4.622 1.00 42.49 ? 587 GLN A NE2 1 ATOM 4776 N N . ASN A 1 588 ? 32.478 -6.310 -5.672 1.00 34.43 ? 588 ASN A N 1 ATOM 4777 C CA . ASN A 1 588 ? 32.383 -5.083 -6.469 1.00 34.53 ? 588 ASN A CA 1 ATOM 4778 C C . ASN A 1 588 ? 31.940 -3.872 -5.653 1.00 34.19 ? 588 ASN A C 1 ATOM 4779 O O . ASN A 1 588 ? 31.872 -2.763 -6.178 1.00 34.58 ? 588 ASN A O 1 ATOM 4780 C CB . ASN A 1 588 ? 31.470 -5.265 -7.688 1.00 35.04 ? 588 ASN A CB 1 ATOM 4781 C CG . ASN A 1 588 ? 32.005 -6.278 -8.687 1.00 36.96 ? 588 ASN A CG 1 ATOM 4782 O OD1 . ASN A 1 588 ? 33.203 -6.551 -8.739 1.00 38.40 ? 588 ASN A OD1 1 ATOM 4783 N ND2 . ASN A 1 588 ? 31.106 -6.839 -9.498 1.00 38.10 ? 588 ASN A ND2 1 ATOM 4784 N N . GLY A 1 589 ? 31.637 -4.088 -4.373 1.00 34.26 ? 589 GLY A N 1 ATOM 4785 C CA . GLY A 1 589 ? 31.122 -3.033 -3.503 1.00 34.45 ? 589 GLY A CA 1 ATOM 4786 C C . GLY A 1 589 ? 29.779 -2.484 -3.962 1.00 35.36 ? 589 GLY A C 1 ATOM 4787 O O . GLY A 1 589 ? 29.545 -1.275 -3.917 1.00 35.90 ? 589 GLY A O 1 ATOM 4788 N N . GLU A 1 590 ? 28.895 -3.367 -4.418 1.00 33.43 ? 590 GLU A N 1 ATOM 4789 C CA . GLU A 1 590 ? 27.573 -2.937 -4.868 1.00 33.26 ? 590 GLU A CA 1 ATOM 4790 C C . GLU A 1 590 ? 26.663 -2.650 -3.690 1.00 33.61 ? 590 GLU A C 1 ATOM 4791 O O . GLU A 1 590 ? 26.782 -3.268 -2.633 1.00 34.44 ? 590 GLU A O 1 ATOM 4792 C CB . GLU A 1 590 ? 26.914 -4.005 -5.739 1.00 32.37 ? 590 GLU A CB 1 ATOM 4793 C CG . GLU A 1 590 ? 27.690 -4.372 -6.985 1.00 31.80 ? 590 GLU A CG 1 ATOM 4794 C CD . GLU A 1 590 ? 27.755 -3.277 -8.031 1.00 32.02 ? 590 GLU A CD 1 ATOM 4795 O OE1 . GLU A 1 590 ? 27.135 -2.198 -7.875 1.00 32.07 ? 590 GLU A OE1 1 ATOM 4796 O OE2 . GLU A 1 590 ? 28.450 -3.505 -9.034 1.00 32.55 ? 590 GLU A OE2 1 ATOM 4797 N N . VAL A 1 591 ? 25.756 -1.702 -3.876 1.00 34.23 ? 591 VAL A N 1 ATOM 4798 C CA . VAL A 1 591 ? 24.648 -1.542 -2.951 1.00 34.90 ? 591 VAL A CA 1 ATOM 4799 C C . VAL A 1 591 ? 23.468 -2.321 -3.526 1.00 34.22 ? 591 VAL A C 1 ATOM 4800 O O . VAL A 1 591 ? 23.077 -2.105 -4.671 1.00 35.00 ? 591 VAL A O 1 ATOM 4801 C CB . VAL A 1 591 ? 24.317 -0.047 -2.680 1.00 35.99 ? 591 VAL A CB 1 ATOM 4802 C CG1 . VAL A 1 591 ? 24.309 0.759 -3.968 1.00 37.35 ? 591 VAL A CG1 1 ATOM 4803 C CG2 . VAL A 1 591 ? 22.996 0.113 -1.939 1.00 36.80 ? 591 VAL A CG2 1 ATOM 4804 N N . LEU A 1 592 ? 22.938 -3.256 -2.742 1.00 33.23 ? 592 LEU A N 1 ATOM 4805 C CA . LEU A 1 592 ? 21.755 -4.015 -3.135 1.00 31.91 ? 592 LEU A CA 1 ATOM 4806 C C . LEU A 1 592 ? 20.521 -3.158 -2.913 1.00 30.99 ? 592 LEU A C 1 ATOM 4807 O O . LEU A 1 592 ? 20.393 -2.492 -1.882 1.00 31.34 ? 592 LEU A O 1 ATOM 4808 C CB . LEU A 1 592 ? 21.639 -5.312 -2.330 1.00 32.36 ? 592 LEU A CB 1 ATOM 4809 C CG . LEU A 1 592 ? 22.786 -6.323 -2.394 1.00 33.23 ? 592 LEU A CG 1 ATOM 4810 C CD1 . LEU A 1 592 ? 22.394 -7.613 -1.689 1.00 33.79 ? 592 LEU A CD1 1 ATOM 4811 C CD2 . LEU A 1 592 ? 23.209 -6.612 -3.830 1.00 32.71 ? 592 LEU A CD2 1 ATOM 4812 N N . GLY A 1 593 ? 19.612 -3.165 -3.876 1.00 28.06 ? 593 GLY A N 1 ATOM 4813 C CA . GLY A 1 593 ? 18.441 -2.317 -3.774 1.00 26.23 ? 593 GLY A CA 1 ATOM 4814 C C . GLY A 1 593 ? 18.688 -0.978 -4.436 1.00 25.03 ? 593 GLY A C 1 ATOM 4815 O O . GLY A 1 593 ? 19.697 -0.783 -5.121 1.00 25.12 ? 593 GLY A O 1 ATOM 4816 N N . TRP A 1 594 ? 17.745 -0.064 -4.257 1.00 23.81 ? 594 TRP A N 1 ATOM 4817 C CA . TRP A 1 594 ? 17.766 1.216 -4.953 1.00 23.22 ? 594 TRP A CA 1 ATOM 4818 C C . TRP A 1 594 ? 17.363 2.336 -3.979 1.00 23.74 ? 594 TRP A C 1 ATOM 4819 O O . TRP A 1 594 ? 16.302 2.938 -4.124 1.00 23.11 ? 594 TRP A O 1 ATOM 4820 C CB . TRP A 1 594 ? 16.852 1.178 -6.195 1.00 21.78 ? 594 TRP A CB 1 ATOM 4821 C CG . TRP A 1 594 ? 15.585 0.367 -5.995 1.00 21.08 ? 594 TRP A CG 1 ATOM 4822 C CD1 . TRP A 1 594 ? 14.356 0.838 -5.640 1.00 20.37 ? 594 TRP A CD1 1 ATOM 4823 C CD2 . TRP A 1 594 ? 15.447 -1.058 -6.129 1.00 20.34 ? 594 TRP A CD2 1 ATOM 4824 N NE1 . TRP A 1 594 ? 13.463 -0.200 -5.542 1.00 19.70 ? 594 TRP A NE1 1 ATOM 4825 C CE2 . TRP A 1 594 ? 14.104 -1.376 -5.838 1.00 20.02 ? 594 TRP A CE2 1 ATOM 4826 C CE3 . TRP A 1 594 ? 16.332 -2.095 -6.476 1.00 20.45 ? 594 TRP A CE3 1 ATOM 4827 C CZ2 . TRP A 1 594 ? 13.616 -2.692 -5.875 1.00 19.35 ? 594 TRP A CZ2 1 ATOM 4828 C CZ3 . TRP A 1 594 ? 15.848 -3.411 -6.518 1.00 19.74 ? 594 TRP A CZ3 1 ATOM 4829 C CH2 . TRP A 1 594 ? 14.501 -3.691 -6.222 1.00 19.29 ? 594 TRP A CH2 1 ATOM 4830 N N . PRO A 1 595 ? 18.225 2.620 -2.986 1.00 24.90 ? 595 PRO A N 1 ATOM 4831 C CA . PRO A 1 595 ? 17.903 3.623 -1.959 1.00 25.74 ? 595 PRO A CA 1 ATOM 4832 C C . PRO A 1 595 ? 17.581 5.013 -2.521 1.00 26.29 ? 595 PRO A C 1 ATOM 4833 O O . PRO A 1 595 ? 16.782 5.743 -1.922 1.00 26.08 ? 595 PRO A O 1 ATOM 4834 C CB . PRO A 1 595 ? 19.165 3.670 -1.095 1.00 25.55 ? 595 PRO A CB 1 ATOM 4835 C CG . PRO A 1 595 ? 20.248 3.102 -1.953 1.00 25.81 ? 595 PRO A CG 1 ATOM 4836 C CD . PRO A 1 595 ? 19.576 2.063 -2.797 1.00 25.13 ? 595 PRO A CD 1 ATOM 4837 N N . GLU A 1 596 ? 18.190 5.373 -3.651 1.00 25.98 ? 596 GLU A N 1 ATOM 4838 C CA . GLU A 1 596 ? 17.854 6.627 -4.335 1.00 26.27 ? 596 GLU A CA 1 ATOM 4839 C C . GLU A 1 596 ? 16.590 6.432 -5.171 1.00 25.24 ? 596 GLU A C 1 ATOM 4840 O O . GLU A 1 596 ? 16.607 6.517 -6.398 1.00 24.56 ? 596 GLU A O 1 ATOM 4841 C CB . GLU A 1 596 ? 19.032 7.135 -5.172 1.00 27.39 ? 596 GLU A CB 1 ATOM 4842 C CG . GLU A 1 596 ? 20.160 7.663 -4.299 1.00 30.10 ? 596 GLU A CG 1 ATOM 4843 C CD . GLU A 1 596 ? 21.366 8.154 -5.076 1.00 32.42 ? 596 GLU A CD 1 ATOM 4844 O OE1 . GLU A 1 596 ? 21.202 8.691 -6.196 1.00 32.94 ? 596 GLU A OE1 1 ATOM 4845 O OE2 . GLU A 1 596 ? 22.489 8.020 -4.546 1.00 34.55 ? 596 GLU A OE2 1 ATOM 4846 N N . TYR A 1 597 ? 15.498 6.169 -4.460 1.00 24.56 ? 597 TYR A N 1 ATOM 4847 C CA . TYR A 1 597 ? 14.228 5.753 -5.036 1.00 24.47 ? 597 TYR A CA 1 ATOM 4848 C C . TYR A 1 597 ? 13.550 6.825 -5.890 1.00 25.23 ? 597 TYR A C 1 ATOM 4849 O O . TYR A 1 597 ? 12.644 6.524 -6.657 1.00 25.46 ? 597 TYR A O 1 ATOM 4850 C CB . TYR A 1 597 ? 13.272 5.311 -3.920 1.00 23.95 ? 597 TYR A CB 1 ATOM 4851 C CG . TYR A 1 597 ? 12.939 6.417 -2.945 1.00 23.59 ? 597 TYR A CG 1 ATOM 4852 C CD1 . TYR A 1 597 ? 11.914 7.334 -3.209 1.00 23.27 ? 597 TYR A CD1 1 ATOM 4853 C CD2 . TYR A 1 597 ? 13.655 6.555 -1.758 1.00 23.66 ? 597 TYR A CD2 1 ATOM 4854 C CE1 . TYR A 1 597 ? 11.617 8.357 -2.309 1.00 22.93 ? 597 TYR A CE1 1 ATOM 4855 C CE2 . TYR A 1 597 ? 13.369 7.578 -0.859 1.00 23.64 ? 597 TYR A CE2 1 ATOM 4856 C CZ . TYR A 1 597 ? 12.354 8.472 -1.135 1.00 23.42 ? 597 TYR A CZ 1 ATOM 4857 O OH . TYR A 1 597 ? 12.088 9.484 -0.223 1.00 23.23 ? 597 TYR A OH 1 ATOM 4858 N N . GLN A 1 598 ? 13.980 8.073 -5.740 1.00 26.76 ? 598 GLN A N 1 ATOM 4859 C CA . GLN A 1 598 ? 13.313 9.192 -6.391 1.00 28.03 ? 598 GLN A CA 1 ATOM 4860 C C . GLN A 1 598 ? 13.987 9.493 -7.728 1.00 27.64 ? 598 GLN A C 1 ATOM 4861 O O . GLN A 1 598 ? 13.485 10.276 -8.534 1.00 27.98 ? 598 GLN A O 1 ATOM 4862 C CB . GLN A 1 598 ? 13.388 10.406 -5.463 1.00 29.91 ? 598 GLN A CB 1 ATOM 4863 C CG . GLN A 1 598 ? 12.156 11.282 -5.395 1.00 32.07 ? 598 GLN A CG 1 ATOM 4864 C CD . GLN A 1 598 ? 12.473 12.622 -4.747 1.00 33.55 ? 598 GLN A CD 1 ATOM 4865 O OE1 . GLN A 1 598 ? 12.639 12.717 -3.533 1.00 34.32 ? 598 GLN A OE1 1 ATOM 4866 N NE2 . GLN A 1 598 ? 12.589 13.662 -5.568 1.00 33.55 ? 598 GLN A NE2 1 ATOM 4867 N N . TRP A 1 599 ? 15.129 8.851 -7.962 1.00 27.55 ? 599 TRP A N 1 ATOM 4868 C CA . TRP A 1 599 ? 15.958 9.140 -9.125 1.00 27.46 ? 599 TRP A CA 1 ATOM 4869 C C . TRP A 1 599 ? 15.306 8.724 -10.435 1.00 27.05 ? 599 TRP A C 1 ATOM 4870 O O . TRP A 1 599 ? 14.754 7.622 -10.543 1.00 27.68 ? 599 TRP A O 1 ATOM 4871 C CB . TRP A 1 599 ? 17.311 8.446 -8.995 1.00 26.50 ? 599 TRP A CB 1 ATOM 4872 C CG . TRP A 1 599 ? 18.215 8.714 -10.157 1.00 26.45 ? 599 TRP A CG 1 ATOM 4873 C CD1 . TRP A 1 599 ? 19.063 9.775 -10.304 1.00 26.10 ? 599 TRP A CD1 1 ATOM 4874 C CD2 . TRP A 1 599 ? 18.358 7.917 -11.342 1.00 25.53 ? 599 TRP A CD2 1 ATOM 4875 N NE1 . TRP A 1 599 ? 19.726 9.687 -11.496 1.00 26.48 ? 599 TRP A NE1 1 ATOM 4876 C CE2 . TRP A 1 599 ? 19.321 8.559 -12.157 1.00 25.78 ? 599 TRP A CE2 1 ATOM 4877 C CE3 . TRP A 1 599 ? 17.771 6.725 -11.792 1.00 24.89 ? 599 TRP A CE3 1 ATOM 4878 C CZ2 . TRP A 1 599 ? 19.717 8.052 -13.398 1.00 25.42 ? 599 TRP A CZ2 1 ATOM 4879 C CZ3 . TRP A 1 599 ? 18.159 6.218 -13.034 1.00 24.77 ? 599 TRP A CZ3 1 ATOM 4880 C CH2 . TRP A 1 599 ? 19.126 6.885 -13.822 1.00 25.09 ? 599 TRP A CH2 1 ATOM 4881 N N . HIS A 1 600 ? 15.388 9.610 -11.424 1.00 27.83 ? 600 HIS A N 1 ATOM 4882 C CA . HIS A 1 600 ? 15.001 9.308 -12.807 1.00 28.46 ? 600 HIS A CA 1 ATOM 4883 C C . HIS A 1 600 ? 16.121 9.743 -13.752 1.00 29.75 ? 600 HIS A C 1 ATOM 4884 O O . HIS A 1 600 ? 16.840 10.693 -13.447 1.00 30.34 ? 600 HIS A O 1 ATOM 4885 C CB . HIS A 1 600 ? 13.708 10.042 -13.154 1.00 28.81 ? 600 HIS A CB 1 ATOM 4886 C CG . HIS A 1 600 ? 12.485 9.431 -12.532 1.00 29.66 ? 600 HIS A CG 1 ATOM 4887 N ND1 . HIS A 1 600 ? 12.206 9.529 -11.184 1.00 30.21 ? 600 HIS A ND1 1 ATOM 4888 C CD2 . HIS A 1 600 ? 11.465 8.727 -13.076 1.00 28.92 ? 600 HIS A CD2 1 ATOM 4889 C CE1 . HIS A 1 600 ? 11.067 8.906 -10.924 1.00 29.72 ? 600 HIS A CE1 1 ATOM 4890 N NE2 . HIS A 1 600 ? 10.600 8.408 -12.054 1.00 29.68 ? 600 HIS A NE2 1 ATOM 4891 N N . PRO A 1 601 ? 16.289 9.046 -14.894 1.00 29.09 ? 601 PRO A N 1 ATOM 4892 C CA . PRO A 1 601 ? 17.333 9.492 -15.810 1.00 29.26 ? 601 PRO A CA 1 ATOM 4893 C C . PRO A 1 601 ? 16.950 10.808 -16.509 1.00 30.31 ? 601 PRO A C 1 ATOM 4894 O O . PRO A 1 601 ? 15.764 11.107 -16.641 1.00 29.53 ? 601 PRO A O 1 ATOM 4895 C CB . PRO A 1 601 ? 17.431 8.339 -16.816 1.00 28.10 ? 601 PRO A CB 1 ATOM 4896 C CG . PRO A 1 601 ? 16.061 7.745 -16.826 1.00 28.15 ? 601 PRO A CG 1 ATOM 4897 C CD . PRO A 1 601 ? 15.549 7.879 -15.419 1.00 27.78 ? 601 PRO A CD 1 ATOM 4898 N N . PRO A 1 602 ? 17.947 11.594 -16.951 1.00 31.85 ? 602 PRO A N 1 ATOM 4899 C CA . PRO A 1 602 ? 17.607 12.763 -17.753 1.00 33.03 ? 602 PRO A CA 1 ATOM 4900 C C . PRO A 1 602 ? 17.221 12.332 -19.170 1.00 33.91 ? 602 PRO A C 1 ATOM 4901 O O . PRO A 1 602 ? 17.453 11.178 -19.554 1.00 33.53 ? 602 PRO A O 1 ATOM 4902 C CB . PRO A 1 602 ? 18.914 13.555 -17.768 1.00 33.38 ? 602 PRO A CB 1 ATOM 4903 C CG . PRO A 1 602 ? 19.972 12.504 -17.711 1.00 33.02 ? 602 PRO A CG 1 ATOM 4904 C CD . PRO A 1 602 ? 19.409 11.401 -16.851 1.00 32.74 ? 602 PRO A CD 1 ATOM 4905 N N . LEU A 1 603 ? 16.610 13.237 -19.924 1.00 35.14 ? 603 LEU A N 1 ATOM 4906 C CA . LEU A 1 603 ? 16.329 13.001 -21.343 1.00 36.67 ? 603 LEU A CA 1 ATOM 4907 C C . LEU A 1 603 ? 17.617 13.145 -22.147 1.00 35.89 ? 603 LEU A C 1 ATOM 4908 O O . LEU A 1 603 ? 18.503 13.876 -21.728 1.00 36.29 ? 603 LEU A O 1 ATOM 4909 C CB . LEU A 1 603 ? 15.325 14.029 -21.854 1.00 37.65 ? 603 LEU A CB 1 ATOM 4910 C CG . LEU A 1 603 ? 13.916 13.980 -21.288 1.00 38.15 ? 603 LEU A CG 1 ATOM 4911 C CD1 . LEU A 1 603 ? 13.189 15.249 -21.688 1.00 38.99 ? 603 LEU A CD1 1 ATOM 4912 C CD2 . LEU A 1 603 ? 13.186 12.742 -21.790 1.00 38.19 ? 603 LEU A CD2 1 ATOM 4913 N N . PRO A 1 604 ? 17.733 12.435 -23.290 1.00 36.94 ? 604 PRO A N 1 ATOM 4914 C CA . PRO A 1 604 ? 18.853 12.692 -24.215 1.00 37.84 ? 604 PRO A CA 1 ATOM 4915 C C . PRO A 1 604 ? 18.809 14.142 -24.703 1.00 40.39 ? 604 PRO A C 1 ATOM 4916 O O . PRO A 1 604 ? 17.723 14.729 -24.776 1.00 39.00 ? 604 PRO A O 1 ATOM 4917 C CB . PRO A 1 604 ? 18.577 11.736 -25.377 1.00 37.66 ? 604 PRO A CB 1 ATOM 4918 C CG . PRO A 1 604 ? 17.746 10.643 -24.778 1.00 36.99 ? 604 PRO A CG 1 ATOM 4919 C CD . PRO A 1 604 ? 16.891 11.311 -23.747 1.00 36.00 ? 604 PRO A CD 1 ATOM 4920 N N . ASP A 1 605 ? 19.969 14.716 -25.028 1.00 43.71 ? 605 ASP A N 1 ATOM 4921 C CA . ASP A 1 605 ? 20.046 16.135 -25.403 1.00 47.53 ? 605 ASP A CA 1 ATOM 4922 C C . ASP A 1 605 ? 19.096 16.538 -26.537 1.00 48.51 ? 605 ASP A C 1 ATOM 4923 O O . ASP A 1 605 ? 18.470 17.600 -26.478 1.00 50.36 ? 605 ASP A O 1 ATOM 4924 C CB . ASP A 1 605 ? 21.489 16.546 -25.731 1.00 50.05 ? 605 ASP A CB 1 ATOM 4925 C CG . ASP A 1 605 ? 22.341 16.761 -24.483 1.00 52.53 ? 605 ASP A CG 1 ATOM 4926 O OD1 . ASP A 1 605 ? 21.909 16.375 -23.377 1.00 54.63 ? 605 ASP A OD1 1 ATOM 4927 O OD2 . ASP A 1 605 ? 23.454 17.315 -24.606 1.00 55.88 ? 605 ASP A OD2 1 ATOM 4928 N N . ASN A 1 606 ? 18.968 15.677 -27.542 1.00 48.72 ? 606 ASN A N 1 ATOM 4929 C CA . ASN A 1 606 ? 18.172 15.992 -28.726 1.00 51.03 ? 606 ASN A CA 1 ATOM 4930 C C . ASN A 1 606 ? 16.801 15.305 -28.770 1.00 52.47 ? 606 ASN A C 1 ATOM 4931 O O . ASN A 1 606 ? 16.207 15.137 -29.839 1.00 51.22 ? 606 ASN A O 1 ATOM 4932 C CB . ASN A 1 606 ? 18.995 15.715 -29.992 1.00 52.12 ? 606 ASN A CB 1 ATOM 4933 C CG . ASN A 1 606 ? 20.172 16.675 -30.140 1.00 54.58 ? 606 ASN A CG 1 ATOM 4934 O OD1 . ASN A 1 606 ? 20.002 17.828 -30.546 1.00 54.94 ? 606 ASN A OD1 1 ATOM 4935 N ND2 . ASN A 1 606 ? 21.371 16.205 -29.800 1.00 53.29 ? 606 ASN A ND2 1 ATOM 4936 N N . TYR A 1 607 ? 16.304 14.929 -27.592 1.00 53.28 ? 607 TYR A N 1 ATOM 4937 C CA . TYR A 1 607 ? 14.995 14.295 -27.435 1.00 56.46 ? 607 TYR A CA 1 ATOM 4938 C C . TYR A 1 607 ? 13.878 15.204 -27.958 1.00 58.03 ? 607 TYR A C 1 ATOM 4939 O O . TYR A 1 607 ? 13.874 16.399 -27.658 1.00 59.14 ? 607 TYR A O 1 ATOM 4940 C CB . TYR A 1 607 ? 14.775 13.949 -25.956 1.00 55.18 ? 607 TYR A CB 1 ATOM 4941 C CG . TYR A 1 607 ? 13.347 13.652 -25.553 1.00 55.04 ? 607 TYR A CG 1 ATOM 4942 C CD1 . TYR A 1 607 ? 12.838 12.352 -25.619 1.00 54.41 ? 607 TYR A CD1 1 ATOM 4943 C CD2 . TYR A 1 607 ? 12.508 14.668 -25.085 1.00 55.21 ? 607 TYR A CD2 1 ATOM 4944 C CE1 . TYR A 1 607 ? 11.532 12.076 -25.242 1.00 54.67 ? 607 TYR A CE1 1 ATOM 4945 C CE2 . TYR A 1 607 ? 11.198 14.404 -24.709 1.00 55.82 ? 607 TYR A CE2 1 ATOM 4946 C CZ . TYR A 1 607 ? 10.713 13.108 -24.785 1.00 55.96 ? 607 TYR A CZ 1 ATOM 4947 O OH . TYR A 1 607 ? 9.413 12.841 -24.401 1.00 54.73 ? 607 TYR A OH 1 ATOM 4948 N N . PRO A 1 608 ? 12.916 14.642 -28.724 1.00 61.05 ? 608 PRO A N 1 ATOM 4949 C CA . PRO A 1 608 ? 12.766 13.228 -29.089 1.00 63.53 ? 608 PRO A CA 1 ATOM 4950 C C . PRO A 1 608 ? 13.259 12.806 -30.481 1.00 66.26 ? 608 PRO A C 1 ATOM 4951 O O . PRO A 1 608 ? 13.174 11.624 -30.807 1.00 67.42 ? 608 PRO A O 1 ATOM 4952 C CB . PRO A 1 608 ? 11.250 13.019 -29.001 1.00 62.15 ? 608 PRO A CB 1 ATOM 4953 C CG . PRO A 1 608 ? 10.668 14.354 -29.333 1.00 62.42 ? 608 PRO A CG 1 ATOM 4954 C CD . PRO A 1 608 ? 11.719 15.415 -29.104 1.00 61.92 ? 608 PRO A CD 1 ATOM 4955 N N . GLU A 1 609 ? 13.758 13.740 -31.291 1.00 71.76 ? 609 GLU A N 1 ATOM 4956 C CA . GLU A 1 609 ? 14.210 13.405 -32.652 1.00 76.04 ? 609 GLU A CA 1 ATOM 4957 C C . GLU A 1 609 ? 15.559 12.669 -32.673 1.00 77.71 ? 609 GLU A C 1 ATOM 4958 O O . GLU A 1 609 ? 16.275 12.638 -31.667 1.00 78.32 ? 609 GLU A O 1 ATOM 4959 C CB . GLU A 1 609 ? 14.232 14.639 -33.574 1.00 77.41 ? 609 GLU A CB 1 ATOM 4960 C CG . GLU A 1 609 ? 15.457 15.541 -33.452 1.00 80.34 ? 609 GLU A CG 1 ATOM 4961 C CD . GLU A 1 609 ? 15.251 16.719 -32.511 1.00 82.22 ? 609 GLU A CD 1 ATOM 4962 O OE1 . GLU A 1 609 ? 14.085 17.087 -32.242 1.00 81.95 ? 609 GLU A OE1 1 ATOM 4963 O OE2 . GLU A 1 609 ? 16.264 17.288 -32.046 1.00 84.07 ? 609 GLU A OE2 1 ATOM 4964 N N . GLY A 1 610 ? 15.886 12.079 -33.824 1.00 78.52 ? 610 GLY A N 1 ATOM 4965 C CA . GLY A 1 610 ? 17.139 11.351 -34.005 1.00 77.77 ? 610 GLY A CA 1 ATOM 4966 C C . GLY A 1 610 ? 17.152 10.510 -35.267 1.00 77.99 ? 610 GLY A C 1 ATOM 4967 O O . GLY A 1 610 ? 16.198 9.786 -35.551 1.00 78.28 ? 610 GLY A O 1 ATOM 4968 N N . LEU B 1 1 ? 12.679 -5.551 42.327 1.00 51.53 ? 1 LEU B N 1 ATOM 4969 C CA . LEU B 1 1 ? 11.296 -5.199 42.769 1.00 51.32 ? 1 LEU B CA 1 ATOM 4970 C C . LEU B 1 1 ? 11.078 -5.493 44.253 1.00 51.05 ? 1 LEU B C 1 ATOM 4971 O O . LEU B 1 1 ? 11.320 -6.607 44.724 1.00 52.61 ? 1 LEU B O 1 ATOM 4972 C CB . LEU B 1 1 ? 10.252 -5.946 41.931 1.00 50.55 ? 1 LEU B CB 1 ATOM 4973 C CG . LEU B 1 1 ? 8.770 -5.621 42.151 1.00 49.95 ? 1 LEU B CG 1 ATOM 4974 C CD1 . LEU B 1 1 ? 8.403 -4.263 41.569 1.00 49.31 ? 1 LEU B CD1 1 ATOM 4975 C CD2 . LEU B 1 1 ? 7.906 -6.714 41.547 1.00 48.40 ? 1 LEU B CD2 1 ATOM 4976 N N . ASP B 1 2 ? 10.614 -4.477 44.970 1.00 50.22 ? 2 ASP B N 1 ATOM 4977 C CA . ASP B 1 2 ? 10.254 -4.595 46.372 1.00 49.44 ? 2 ASP B CA 1 ATOM 4978 C C . ASP B 1 2 ? 9.242 -5.731 46.593 1.00 48.43 ? 2 ASP B C 1 ATOM 4979 O O . ASP B 1 2 ? 8.252 -5.828 45.862 1.00 47.08 ? 2 ASP B O 1 ATOM 4980 C CB . ASP B 1 2 ? 9.667 -3.274 46.861 1.00 50.82 ? 2 ASP B CB 1 ATOM 4981 C CG . ASP B 1 2 ? 9.686 -3.151 48.371 1.00 54.25 ? 2 ASP B CG 1 ATOM 4982 O OD1 . ASP B 1 2 ? 8.959 -3.906 49.058 1.00 53.44 ? 2 ASP B OD1 1 ATOM 4983 O OD2 . ASP B 1 2 ? 10.434 -2.286 48.868 1.00 56.30 ? 2 ASP B OD2 1 ATOM 4984 N N . PRO B 1 3 ? 9.501 -6.599 47.593 1.00 46.31 ? 3 PRO B N 1 ATOM 4985 C CA . PRO B 1 3 ? 8.594 -7.684 47.977 1.00 45.95 ? 3 PRO B CA 1 ATOM 4986 C C . PRO B 1 3 ? 7.152 -7.217 48.222 1.00 44.26 ? 3 PRO B C 1 ATOM 4987 O O . PRO B 1 3 ? 6.211 -7.934 47.882 1.00 44.92 ? 3 PRO B O 1 ATOM 4988 C CB . PRO B 1 3 ? 9.213 -8.205 49.276 1.00 47.35 ? 3 PRO B CB 1 ATOM 4989 C CG . PRO B 1 3 ? 10.672 -7.945 49.107 1.00 48.11 ? 3 PRO B CG 1 ATOM 4990 C CD . PRO B 1 3 ? 10.763 -6.645 48.356 1.00 47.12 ? 3 PRO B CD 1 ATOM 4991 N N . GLY B 1 4 ? 6.991 -6.020 48.786 1.00 42.26 ? 4 GLY B N 1 ATOM 4992 C CA . GLY B 1 4 ? 5.671 -5.418 49.021 1.00 41.41 ? 4 GLY B CA 1 ATOM 4993 C C . GLY B 1 4 ? 4.871 -5.130 47.758 1.00 41.00 ? 4 GLY B C 1 ATOM 4994 O O . GLY B 1 4 ? 3.658 -4.930 47.818 1.00 41.08 ? 4 GLY B O 1 ATOM 4995 N N . LEU B 1 5 ? 5.553 -5.117 46.613 1.00 39.98 ? 5 LEU B N 1 ATOM 4996 C CA . LEU B 1 5 ? 4.919 -4.886 45.318 1.00 39.87 ? 5 LEU B CA 1 ATOM 4997 C C . LEU B 1 5 ? 4.576 -6.187 44.581 1.00 40.59 ? 5 LEU B C 1 ATOM 4998 O O . LEU B 1 5 ? 3.914 -6.157 43.544 1.00 39.55 ? 5 LEU B O 1 ATOM 4999 C CB . LEU B 1 5 ? 5.809 -3.988 44.440 1.00 39.72 ? 5 LEU B CB 1 ATOM 5000 C CG . LEU B 1 5 ? 6.090 -2.563 44.947 1.00 39.71 ? 5 LEU B CG 1 ATOM 5001 C CD1 . LEU B 1 5 ? 7.120 -1.858 44.073 1.00 40.24 ? 5 LEU B CD1 1 ATOM 5002 C CD2 . LEU B 1 5 ? 4.819 -1.728 45.050 1.00 39.81 ? 5 LEU B CD2 1 ATOM 5003 N N . GLN B 1 6 ? 5.017 -7.321 45.130 1.00 42.97 ? 6 GLN B N 1 ATOM 5004 C CA . GLN B 1 6 ? 4.825 -8.623 44.485 1.00 43.86 ? 6 GLN B CA 1 ATOM 5005 C C . GLN B 1 6 ? 3.474 -9.265 44.807 1.00 43.76 ? 6 GLN B C 1 ATOM 5006 O O . GLN B 1 6 ? 2.918 -9.030 45.883 1.00 43.10 ? 6 GLN B O 1 ATOM 5007 C CB . GLN B 1 6 ? 5.988 -9.549 44.805 1.00 46.33 ? 6 GLN B CB 1 ATOM 5008 C CG . GLN B 1 6 ? 7.131 -9.354 43.825 1.00 49.77 ? 6 GLN B CG 1 ATOM 5009 C CD . GLN B 1 6 ? 8.377 -10.110 44.212 1.00 52.55 ? 6 GLN B CD 1 ATOM 5010 O OE1 . GLN B 1 6 ? 8.344 -11.325 44.394 1.00 55.83 ? 6 GLN B OE1 1 ATOM 5011 N NE2 . GLN B 1 6 ? 9.493 -9.394 44.334 1.00 53.95 ? 6 GLN B NE2 1 ATOM 5012 N N . PRO B 1 7 ? 2.934 -10.069 43.866 1.00 43.50 ? 7 PRO B N 1 ATOM 5013 C CA . PRO B 1 7 ? 1.561 -10.538 44.046 1.00 43.48 ? 7 PRO B CA 1 ATOM 5014 C C . PRO B 1 7 ? 1.433 -11.663 45.069 1.00 44.25 ? 7 PRO B C 1 ATOM 5015 O O . PRO B 1 7 ? 2.285 -12.547 45.125 1.00 44.53 ? 7 PRO B O 1 ATOM 5016 C CB . PRO B 1 7 ? 1.166 -11.022 42.649 1.00 42.97 ? 7 PRO B CB 1 ATOM 5017 C CG . PRO B 1 7 ? 2.449 -11.413 42.000 1.00 42.86 ? 7 PRO B CG 1 ATOM 5018 C CD . PRO B 1 7 ? 3.548 -10.603 42.633 1.00 42.29 ? 7 PRO B CD 1 ATOM 5019 N N . GLY B 1 8 ? 0.380 -11.599 45.881 1.00 43.86 ? 8 GLY B N 1 ATOM 5020 C CA . GLY B 1 8 ? 0.061 -12.666 46.830 1.00 45.88 ? 8 GLY B CA 1 ATOM 5021 C C . GLY B 1 8 ? -0.753 -13.766 46.172 1.00 46.51 ? 8 GLY B C 1 ATOM 5022 O O . GLY B 1 8 ? -0.856 -13.825 44.938 1.00 45.91 ? 8 GLY B O 1 ATOM 5023 N N . GLN B 1 9 ? -1.326 -14.642 46.993 1.00 48.01 ? 9 GLN B N 1 ATOM 5024 C CA . GLN B 1 9 ? -2.163 -15.734 46.493 1.00 49.15 ? 9 GLN B CA 1 ATOM 5025 C C . GLN B 1 9 ? -3.643 -15.355 46.500 1.00 47.04 ? 9 GLN B C 1 ATOM 5026 O O . GLN B 1 9 ? -4.128 -14.681 47.406 1.00 46.50 ? 9 GLN B O 1 ATOM 5027 C CB . GLN B 1 9 ? -1.933 -17.041 47.282 1.00 53.25 ? 9 GLN B CB 1 ATOM 5028 C CG . GLN B 1 9 ? -0.824 -17.949 46.735 1.00 55.33 ? 9 GLN B CG 1 ATOM 5029 C CD . GLN B 1 9 ? -1.200 -18.693 45.450 1.00 57.25 ? 9 GLN B CD 1 ATOM 5030 O OE1 . GLN B 1 9 ? -1.703 -18.101 44.488 1.00 58.25 ? 9 GLN B OE1 1 ATOM 5031 N NE2 . GLN B 1 9 ? -0.931 -19.997 45.424 1.00 57.07 ? 9 GLN B NE2 1 ATOM 5032 N N . PHE B 1 10 ? -4.346 -15.797 45.465 1.00 46.21 ? 10 PHE B N 1 ATOM 5033 C CA . PHE B 1 10 ? -5.759 -15.495 45.277 1.00 44.58 ? 10 PHE B CA 1 ATOM 5034 C C . PHE B 1 10 ? -6.427 -16.738 44.705 1.00 44.08 ? 10 PHE B C 1 ATOM 5035 O O . PHE B 1 10 ? -5.827 -17.438 43.882 1.00 43.63 ? 10 PHE B O 1 ATOM 5036 C CB . PHE B 1 10 ? -5.933 -14.300 44.320 1.00 43.09 ? 10 PHE B CB 1 ATOM 5037 C CG . PHE B 1 10 ? -5.321 -13.021 44.836 1.00 42.35 ? 10 PHE B CG 1 ATOM 5038 C CD1 . PHE B 1 10 ? -6.051 -12.169 45.662 1.00 41.68 ? 10 PHE B CD1 1 ATOM 5039 C CD2 . PHE B 1 10 ? -4.005 -12.684 44.520 1.00 40.67 ? 10 PHE B CD2 1 ATOM 5040 C CE1 . PHE B 1 10 ? -5.485 -11.005 46.159 1.00 40.87 ? 10 PHE B CE1 1 ATOM 5041 C CE2 . PHE B 1 10 ? -3.433 -11.522 45.018 1.00 40.07 ? 10 PHE B CE2 1 ATOM 5042 C CZ . PHE B 1 10 ? -4.175 -10.681 45.835 1.00 40.24 ? 10 PHE B CZ 1 ATOM 5043 N N . SER B 1 11 ? -7.652 -17.019 45.152 1.00 43.42 ? 11 SER B N 1 ATOM 5044 C CA . SER B 1 11 ? -8.428 -18.147 44.617 1.00 43.09 ? 11 SER B CA 1 ATOM 5045 C C . SER B 1 11 ? -8.674 -17.963 43.121 1.00 42.18 ? 11 SER B C 1 ATOM 5046 O O . SER B 1 11 ? -8.857 -16.831 42.640 1.00 40.47 ? 11 SER B O 1 ATOM 5047 C CB . SER B 1 11 ? -9.750 -18.311 45.369 1.00 43.72 ? 11 SER B CB 1 ATOM 5048 O OG . SER B 1 11 ? -10.541 -17.138 45.274 1.00 43.45 ? 11 SER B OG 1 ATOM 5049 N N . ALA B 1 12 ? -8.645 -19.076 42.389 1.00 42.70 ? 12 ALA B N 1 ATOM 5050 C CA . ALA B 1 12 ? -8.736 -19.056 40.935 1.00 42.51 ? 12 ALA B CA 1 ATOM 5051 C C . ALA B 1 12 ? -10.201 -19.052 40.475 1.00 43.66 ? 12 ALA B C 1 ATOM 5052 O O . ALA B 1 12 ? -10.683 -20.009 39.855 1.00 43.64 ? 12 ALA B O 1 ATOM 5053 C CB . ALA B 1 12 ? -7.962 -20.230 40.336 1.00 42.85 ? 12 ALA B CB 1 ATOM 5054 N N . ASP B 1 13 ? -10.898 -17.962 40.790 1.00 43.37 ? 13 ASP B N 1 ATOM 5055 C CA . ASP B 1 13 ? -12.303 -17.767 40.414 1.00 44.11 ? 13 ASP B CA 1 ATOM 5056 C C . ASP B 1 13 ? -12.619 -16.272 40.326 1.00 43.11 ? 13 ASP B C 1 ATOM 5057 O O . ASP B 1 13 ? -11.783 -15.437 40.680 1.00 42.55 ? 13 ASP B O 1 ATOM 5058 C CB . ASP B 1 13 ? -13.254 -18.478 41.403 1.00 45.35 ? 13 ASP B CB 1 ATOM 5059 C CG . ASP B 1 13 ? -13.129 -17.962 42.835 1.00 45.90 ? 13 ASP B CG 1 ATOM 5060 O OD1 . ASP B 1 13 ? -12.511 -16.892 43.070 1.00 45.69 ? 13 ASP B OD1 1 ATOM 5061 O OD2 . ASP B 1 13 ? -13.655 -18.630 43.744 1.00 47.04 ? 13 ASP B OD2 1 ATOM 5062 N N . GLU B 1 14 ? -13.826 -15.949 39.867 1.00 43.32 ? 14 GLU B N 1 ATOM 5063 C CA . GLU B 1 14 ? -14.248 -14.563 39.677 1.00 42.89 ? 14 GLU B CA 1 ATOM 5064 C C . GLU B 1 14 ? -14.073 -13.703 40.932 1.00 41.11 ? 14 GLU B C 1 ATOM 5065 O O . GLU B 1 14 ? -13.584 -12.573 40.846 1.00 39.58 ? 14 GLU B O 1 ATOM 5066 C CB . GLU B 1 14 ? -15.689 -14.488 39.151 1.00 45.00 ? 14 GLU B CB 1 ATOM 5067 C CG . GLU B 1 14 ? -16.245 -13.068 39.089 1.00 46.72 ? 14 GLU B CG 1 ATOM 5068 C CD . GLU B 1 14 ? -17.148 -12.816 37.892 1.00 47.96 ? 14 GLU B CD 1 ATOM 5069 O OE1 . GLU B 1 14 ? -17.399 -13.758 37.104 1.00 46.43 ? 14 GLU B OE1 1 ATOM 5070 O OE2 . GLU B 1 14 ? -17.597 -11.654 37.739 1.00 48.60 ? 14 GLU B OE2 1 ATOM 5071 N N . ALA B 1 15 ? -14.454 -14.253 42.085 1.00 40.28 ? 15 ALA B N 1 ATOM 5072 C CA . ALA B 1 15 ? -14.349 -13.560 43.374 1.00 38.98 ? 15 ALA B CA 1 ATOM 5073 C C . ALA B 1 15 ? -12.892 -13.284 43.776 1.00 37.72 ? 15 ALA B C 1 ATOM 5074 O O . ALA B 1 15 ? -12.556 -12.172 44.204 1.00 36.05 ? 15 ALA B O 1 ATOM 5075 C CB . ALA B 1 15 ? -15.067 -14.354 44.460 1.00 39.38 ? 15 ALA B CB 1 ATOM 5076 N N . GLY B 1 16 ? -12.044 -14.308 43.640 1.00 38.10 ? 16 GLY B N 1 ATOM 5077 C CA . GLY B 1 16 ? -10.608 -14.188 43.867 1.00 37.88 ? 16 GLY B CA 1 ATOM 5078 C C . GLY B 1 16 ? -9.984 -13.197 42.903 1.00 37.11 ? 16 GLY B C 1 ATOM 5079 O O . GLY B 1 16 ? -9.114 -12.418 43.289 1.00 36.06 ? 16 GLY B O 1 ATOM 5080 N N . ALA B 1 17 ? -10.438 -13.229 41.647 1.00 36.43 ? 17 ALA B N 1 ATOM 5081 C CA . ALA B 1 17 ? -9.989 -12.274 40.629 1.00 35.32 ? 17 ALA B CA 1 ATOM 5082 C C . ALA B 1 17 ? -10.336 -10.822 40.969 1.00 34.97 ? 17 ALA B C 1 ATOM 5083 O O . ALA B 1 17 ? -9.576 -9.917 40.632 1.00 33.92 ? 17 ALA B O 1 ATOM 5084 C CB . ALA B 1 17 ? -10.531 -12.653 39.256 1.00 35.37 ? 17 ALA B CB 1 ATOM 5085 N N . GLN B 1 18 ? -11.469 -10.595 41.641 1.00 35.32 ? 18 GLN B N 1 ATOM 5086 C CA . GLN B 1 18 ? -11.838 -9.235 42.060 1.00 34.97 ? 18 GLN B CA 1 ATOM 5087 C C . GLN B 1 18 ? -10.858 -8.716 43.118 1.00 34.56 ? 18 GLN B C 1 ATOM 5088 O O . GLN B 1 18 ? -10.478 -7.541 43.103 1.00 33.62 ? 18 GLN B O 1 ATOM 5089 C CB . GLN B 1 18 ? -13.286 -9.160 42.580 1.00 36.27 ? 18 GLN B CB 1 ATOM 5090 C CG . GLN B 1 18 ? -14.382 -9.423 41.544 1.00 37.66 ? 18 GLN B CG 1 ATOM 5091 C CD . GLN B 1 18 ? -14.660 -8.247 40.607 1.00 37.46 ? 18 GLN B CD 1 ATOM 5092 O OE1 . GLN B 1 18 ? -13.907 -7.271 40.553 1.00 37.38 ? 18 GLN B OE1 1 ATOM 5093 N NE2 . GLN B 1 18 ? -15.742 -8.351 39.844 1.00 38.11 ? 18 GLN B NE2 1 ATOM 5094 N N . LEU B 1 19 ? -10.453 -9.602 44.028 1.00 34.20 ? 19 LEU B N 1 ATOM 5095 C CA . LEU B 1 19 ? -9.440 -9.273 45.024 1.00 34.01 ? 19 LEU B CA 1 ATOM 5096 C C . LEU B 1 19 ? -8.060 -9.085 44.378 1.00 33.78 ? 19 LEU B C 1 ATOM 5097 O O . LEU B 1 19 ? -7.298 -8.202 44.779 1.00 31.82 ? 19 LEU B O 1 ATOM 5098 C CB . LEU B 1 19 ? -9.395 -10.337 46.132 1.00 34.62 ? 19 LEU B CB 1 ATOM 5099 C CG . LEU B 1 19 ? -10.493 -10.267 47.206 1.00 34.70 ? 19 LEU B CG 1 ATOM 5100 C CD1 . LEU B 1 19 ? -10.167 -11.235 48.328 1.00 35.88 ? 19 LEU B CD1 1 ATOM 5101 C CD2 . LEU B 1 19 ? -10.663 -8.858 47.765 1.00 34.01 ? 19 LEU B CD2 1 ATOM 5102 N N . PHE B 1 20 ? -7.762 -9.915 43.376 1.00 33.85 ? 20 PHE B N 1 ATOM 5103 C CA . PHE B 1 20 ? -6.516 -9.823 42.608 1.00 34.70 ? 20 PHE B CA 1 ATOM 5104 C C . PHE B 1 20 ? -6.336 -8.441 41.969 1.00 34.70 ? 20 PHE B C 1 ATOM 5105 O O . PHE B 1 20 ? -5.258 -7.829 42.075 1.00 33.78 ? 20 PHE B O 1 ATOM 5106 C CB . PHE B 1 20 ? -6.465 -10.921 41.531 1.00 35.35 ? 20 PHE B CB 1 ATOM 5107 C CG . PHE B 1 20 ? -5.228 -10.876 40.658 1.00 35.64 ? 20 PHE B CG 1 ATOM 5108 C CD1 . PHE B 1 20 ? -4.032 -11.460 41.083 1.00 36.08 ? 20 PHE B CD1 1 ATOM 5109 C CD2 . PHE B 1 20 ? -5.262 -10.263 39.402 1.00 35.42 ? 20 PHE B CD2 1 ATOM 5110 C CE1 . PHE B 1 20 ? -2.894 -11.420 40.281 1.00 35.87 ? 20 PHE B CE1 1 ATOM 5111 C CE2 . PHE B 1 20 ? -4.122 -10.220 38.595 1.00 35.42 ? 20 PHE B CE2 1 ATOM 5112 C CZ . PHE B 1 20 ? -2.941 -10.805 39.036 1.00 35.51 ? 20 PHE B CZ 1 ATOM 5113 N N . ALA B 1 21 ? -7.390 -7.962 41.306 1.00 35.04 ? 21 ALA B N 1 ATOM 5114 C CA . ALA B 1 21 ? -7.368 -6.661 40.624 1.00 35.52 ? 21 ALA B CA 1 ATOM 5115 C C . ALA B 1 21 ? -7.144 -5.528 41.614 1.00 36.11 ? 21 ALA B C 1 ATOM 5116 O O . ALA B 1 21 ? -6.363 -4.614 41.354 1.00 35.84 ? 21 ALA B O 1 ATOM 5117 C CB . ALA B 1 21 ? -8.660 -6.439 39.849 1.00 35.64 ? 21 ALA B CB 1 ATOM 5118 N N . GLN B 1 22 ? -7.820 -5.603 42.759 1.00 37.17 ? 22 GLN B N 1 ATOM 5119 C CA . GLN B 1 22 ? -7.689 -4.592 43.792 1.00 38.00 ? 22 GLN B CA 1 ATOM 5120 C C . GLN B 1 22 ? -6.250 -4.477 44.285 1.00 38.10 ? 22 GLN B C 1 ATOM 5121 O O . GLN B 1 22 ? -5.735 -3.372 44.436 1.00 37.61 ? 22 GLN B O 1 ATOM 5122 C CB . GLN B 1 22 ? -8.623 -4.890 44.962 1.00 39.30 ? 22 GLN B CB 1 ATOM 5123 C CG . GLN B 1 22 ? -10.090 -4.651 44.650 1.00 40.63 ? 22 GLN B CG 1 ATOM 5124 C CD . GLN B 1 22 ? -11.000 -4.965 45.824 1.00 41.99 ? 22 GLN B CD 1 ATOM 5125 O OE1 . GLN B 1 22 ? -10.542 -5.163 46.948 1.00 43.15 ? 22 GLN B OE1 1 ATOM 5126 N NE2 . GLN B 1 22 ? -12.300 -5.015 45.563 1.00 42.90 ? 22 GLN B NE2 1 ATOM 5127 N N . SER B 1 23 ? -5.611 -5.620 44.529 1.00 38.27 ? 23 SER B N 1 ATOM 5128 C CA . SER B 1 23 ? -4.232 -5.635 45.004 1.00 39.27 ? 23 SER B CA 1 ATOM 5129 C C . SER B 1 23 ? -3.264 -5.189 43.908 1.00 38.66 ? 23 SER B C 1 ATOM 5130 O O . SER B 1 23 ? -2.338 -4.426 44.174 1.00 39.02 ? 23 SER B O 1 ATOM 5131 C CB . SER B 1 23 ? -3.855 -7.012 45.545 1.00 40.71 ? 23 SER B CB 1 ATOM 5132 O OG . SER B 1 23 ? -2.610 -6.957 46.227 1.00 41.47 ? 23 SER B OG 1 ATOM 5133 N N . TYR B 1 24 ? -3.494 -5.656 42.682 1.00 39.48 ? 24 TYR B N 1 ATOM 5134 C CA . TYR B 1 24 ? -2.736 -5.200 41.512 1.00 39.64 ? 24 TYR B CA 1 ATOM 5135 C C . TYR B 1 24 ? -2.716 -3.678 41.402 1.00 38.86 ? 24 TYR B C 1 ATOM 5136 O O . TYR B 1 24 ? -1.655 -3.059 41.343 1.00 37.87 ? 24 TYR B O 1 ATOM 5137 C CB . TYR B 1 24 ? -3.325 -5.782 40.221 1.00 40.19 ? 24 TYR B CB 1 ATOM 5138 C CG . TYR B 1 24 ? -2.743 -5.158 38.963 1.00 40.68 ? 24 TYR B CG 1 ATOM 5139 C CD1 . TYR B 1 24 ? -1.507 -5.574 38.471 1.00 41.21 ? 24 TYR B CD1 1 ATOM 5140 C CD2 . TYR B 1 24 ? -3.414 -4.139 38.280 1.00 40.73 ? 24 TYR B CD2 1 ATOM 5141 C CE1 . TYR B 1 24 ? -0.963 -5.012 37.325 1.00 41.40 ? 24 TYR B CE1 1 ATOM 5142 C CE2 . TYR B 1 24 ? -2.869 -3.560 37.136 1.00 41.17 ? 24 TYR B CE2 1 ATOM 5143 C CZ . TYR B 1 24 ? -1.644 -4.010 36.666 1.00 41.37 ? 24 TYR B CZ 1 ATOM 5144 O OH . TYR B 1 24 ? -1.085 -3.463 35.536 1.00 42.55 ? 24 TYR B OH 1 ATOM 5145 N N . GLN B 1 25 ? -3.911 -3.097 41.380 1.00 40.04 ? 25 GLN B N 1 ATOM 5146 C CA . GLN B 1 25 ? -4.095 -1.678 41.133 1.00 40.32 ? 25 GLN B CA 1 ATOM 5147 C C . GLN B 1 25 ? -3.578 -0.846 42.298 1.00 40.21 ? 25 GLN B C 1 ATOM 5148 O O . GLN B 1 25 ? -3.113 0.279 42.115 1.00 38.16 ? 25 GLN B O 1 ATOM 5149 C CB . GLN B 1 25 ? -5.565 -1.390 40.800 1.00 42.12 ? 25 GLN B CB 1 ATOM 5150 C CG . GLN B 1 25 ? -5.908 -1.782 39.360 1.00 43.92 ? 25 GLN B CG 1 ATOM 5151 C CD . GLN B 1 25 ? -7.394 -1.954 39.092 1.00 46.02 ? 25 GLN B CD 1 ATOM 5152 O OE1 . GLN B 1 25 ? -8.082 -2.726 39.767 1.00 45.27 ? 25 GLN B OE1 1 ATOM 5153 N NE2 . GLN B 1 25 ? -7.892 -1.248 38.081 1.00 45.19 ? 25 GLN B NE2 1 ATOM 5154 N N . SER B 1 26 ? -3.631 -1.438 43.488 1.00 41.17 ? 26 SER B N 1 ATOM 5155 C CA . SER B 1 26 ? -3.080 -0.845 44.699 1.00 42.04 ? 26 SER B CA 1 ATOM 5156 C C . SER B 1 26 ? -1.558 -0.671 44.603 1.00 41.25 ? 26 SER B C 1 ATOM 5157 O O . SER B 1 26 ? -1.037 0.405 44.884 1.00 40.76 ? 26 SER B O 1 ATOM 5158 C CB . SER B 1 26 ? -3.453 -1.701 45.915 1.00 43.86 ? 26 SER B CB 1 ATOM 5159 O OG . SER B 1 26 ? -2.914 -1.162 47.100 1.00 47.45 ? 26 SER B OG 1 ATOM 5160 N N . SER B 1 27 ? -0.856 -1.720 44.182 1.00 40.91 ? 27 SER B N 1 ATOM 5161 C CA . SER B 1 27 ? 0.606 -1.666 44.067 1.00 39.76 ? 27 SER B CA 1 ATOM 5162 C C . SER B 1 27 ? 1.064 -0.929 42.810 1.00 38.87 ? 27 SER B C 1 ATOM 5163 O O . SER B 1 27 ? 2.154 -0.347 42.780 1.00 38.93 ? 27 SER B O 1 ATOM 5164 C CB . SER B 1 27 ? 1.200 -3.071 44.103 1.00 40.95 ? 27 SER B CB 1 ATOM 5165 O OG . SER B 1 27 ? 0.763 -3.766 45.257 1.00 40.79 ? 27 SER B OG 1 ATOM 5166 N N . ALA B 1 28 ? 0.221 -0.945 41.782 1.00 38.26 ? 28 ALA B N 1 ATOM 5167 C CA . ALA B 1 28 ? 0.534 -0.289 40.512 1.00 37.58 ? 28 ALA B CA 1 ATOM 5168 C C . ALA B 1 28 ? 0.644 1.231 40.648 1.00 37.43 ? 28 ALA B C 1 ATOM 5169 O O . ALA B 1 28 ? 1.425 1.858 39.936 1.00 36.37 ? 28 ALA B O 1 ATOM 5170 C CB . ALA B 1 28 ? -0.485 -0.667 39.448 1.00 36.65 ? 28 ALA B CB 1 ATOM 5171 N N . GLU B 1 29 ? -0.135 1.815 41.561 1.00 38.76 ? 29 GLU B N 1 ATOM 5172 C CA . GLU B 1 29 ? -0.073 3.258 41.820 1.00 39.62 ? 29 GLU B CA 1 ATOM 5173 C C . GLU B 1 29 ? 1.338 3.744 42.144 1.00 37.94 ? 29 GLU B C 1 ATOM 5174 O O . GLU B 1 29 ? 1.760 4.789 41.658 1.00 36.68 ? 29 GLU B O 1 ATOM 5175 C CB . GLU B 1 29 ? -1.054 3.670 42.923 1.00 42.63 ? 29 GLU B CB 1 ATOM 5176 C CG . GLU B 1 29 ? -2.458 3.928 42.396 1.00 46.80 ? 29 GLU B CG 1 ATOM 5177 C CD . GLU B 1 29 ? -3.404 4.492 43.443 1.00 50.70 ? 29 GLU B CD 1 ATOM 5178 O OE1 . GLU B 1 29 ? -3.843 3.717 44.327 1.00 51.56 ? 29 GLU B OE1 1 ATOM 5179 O OE2 . GLU B 1 29 ? -3.721 5.707 43.367 1.00 51.30 ? 29 GLU B OE2 1 ATOM 5180 N N . GLN B 1 30 ? 2.059 2.968 42.947 1.00 37.12 ? 30 GLN B N 1 ATOM 5181 C CA . GLN B 1 30 ? 3.411 3.316 43.397 1.00 37.56 ? 30 GLN B CA 1 ATOM 5182 C C . GLN B 1 30 ? 4.438 3.148 42.281 1.00 35.23 ? 30 GLN B C 1 ATOM 5183 O O . GLN B 1 30 ? 5.369 3.949 42.152 1.00 34.29 ? 30 GLN B O 1 ATOM 5184 C CB . GLN B 1 30 ? 3.796 2.441 44.595 1.00 40.83 ? 30 GLN B CB 1 ATOM 5185 C CG . GLN B 1 30 ? 2.804 2.535 45.743 1.00 45.38 ? 30 GLN B CG 1 ATOM 5186 C CD . GLN B 1 30 ? 2.736 1.266 46.562 1.00 49.36 ? 30 GLN B CD 1 ATOM 5187 O OE1 . GLN B 1 30 ? 3.691 0.902 47.252 1.00 50.82 ? 30 GLN B OE1 1 ATOM 5188 N NE2 . GLN B 1 30 ? 1.596 0.584 46.497 1.00 51.56 ? 30 GLN B NE2 1 ATOM 5189 N N . VAL B 1 31 ? 4.261 2.091 41.487 1.00 33.53 ? 31 VAL B N 1 ATOM 5190 C CA . VAL B 1 31 ? 5.133 1.807 40.352 1.00 32.20 ? 31 VAL B CA 1 ATOM 5191 C C . VAL B 1 31 ? 4.927 2.880 39.275 1.00 30.78 ? 31 VAL B C 1 ATOM 5192 O O . VAL B 1 31 ? 5.892 3.461 38.786 1.00 29.66 ? 31 VAL B O 1 ATOM 5193 C CB . VAL B 1 31 ? 4.887 0.385 39.785 1.00 32.75 ? 31 VAL B CB 1 ATOM 5194 C CG1 . VAL B 1 31 ? 5.807 0.102 38.610 1.00 32.60 ? 31 VAL B CG1 1 ATOM 5195 C CG2 . VAL B 1 31 ? 5.083 -0.664 40.872 1.00 33.83 ? 31 VAL B CG2 1 ATOM 5196 N N . LEU B 1 32 ? 3.666 3.146 38.922 1.00 29.68 ? 32 LEU B N 1 ATOM 5197 C CA . LEU B 1 32 ? 3.342 4.206 37.950 1.00 28.23 ? 32 LEU B CA 1 ATOM 5198 C C . LEU B 1 32 ? 3.867 5.568 38.403 1.00 27.66 ? 32 LEU B C 1 ATOM 5199 O O . LEU B 1 32 ? 4.516 6.278 37.626 1.00 27.22 ? 32 LEU B O 1 ATOM 5200 C CB . LEU B 1 32 ? 1.838 4.262 37.689 1.00 27.79 ? 32 LEU B CB 1 ATOM 5201 C CG . LEU B 1 32 ? 1.297 3.070 36.900 1.00 27.80 ? 32 LEU B CG 1 ATOM 5202 C CD1 . LEU B 1 32 ? -0.204 2.952 37.097 1.00 28.19 ? 32 LEU B CD1 1 ATOM 5203 C CD2 . LEU B 1 32 ? 1.674 3.167 35.426 1.00 27.37 ? 32 LEU B CD2 1 ATOM 5204 N N . PHE B 1 33 ? 3.618 5.915 39.664 1.00 27.40 ? 33 PHE B N 1 ATOM 5205 C CA . PHE B 1 33 ? 4.128 7.168 40.204 1.00 28.55 ? 33 PHE B CA 1 ATOM 5206 C C . PHE B 1 33 ? 5.634 7.326 39.997 1.00 28.29 ? 33 PHE B C 1 ATOM 5207 O O . PHE B 1 33 ? 6.069 8.361 39.490 1.00 27.58 ? 33 PHE B O 1 ATOM 5208 C CB . PHE B 1 33 ? 3.775 7.377 41.686 1.00 29.68 ? 33 PHE B CB 1 ATOM 5209 C CG . PHE B 1 33 ? 4.389 8.624 42.269 1.00 30.16 ? 33 PHE B CG 1 ATOM 5210 C CD1 . PHE B 1 33 ? 3.771 9.861 42.101 1.00 30.28 ? 33 PHE B CD1 1 ATOM 5211 C CD2 . PHE B 1 33 ? 5.609 8.570 42.942 1.00 30.67 ? 33 PHE B CD2 1 ATOM 5212 C CE1 . PHE B 1 33 ? 4.346 11.017 42.615 1.00 30.85 ? 33 PHE B CE1 1 ATOM 5213 C CE2 . PHE B 1 33 ? 6.188 9.720 43.457 1.00 31.01 ? 33 PHE B CE2 1 ATOM 5214 C CZ . PHE B 1 33 ? 5.554 10.944 43.296 1.00 30.85 ? 33 PHE B CZ 1 ATOM 5215 N N . GLN B 1 34 ? 6.425 6.323 40.385 1.00 29.00 ? 34 GLN B N 1 ATOM 5216 C CA . GLN B 1 34 ? 7.892 6.427 40.266 1.00 30.09 ? 34 GLN B CA 1 ATOM 5217 C C . GLN B 1 34 ? 8.347 6.501 38.803 1.00 29.14 ? 34 GLN B C 1 ATOM 5218 O O . GLN B 1 34 ? 9.313 7.190 38.481 1.00 27.59 ? 34 GLN B O 1 ATOM 5219 C CB . GLN B 1 34 ? 8.624 5.307 41.032 1.00 32.34 ? 34 GLN B CB 1 ATOM 5220 C CG . GLN B 1 34 ? 8.378 3.887 40.528 1.00 34.85 ? 34 GLN B CG 1 ATOM 5221 C CD . GLN B 1 34 ? 9.448 3.396 39.558 1.00 37.54 ? 34 GLN B CD 1 ATOM 5222 O OE1 . GLN B 1 34 ? 10.641 3.637 39.770 1.00 39.08 ? 34 GLN B OE1 1 ATOM 5223 N NE2 . GLN B 1 34 ? 9.026 2.694 38.491 1.00 36.55 ? 34 GLN B NE2 1 ATOM 5224 N N . SER B 1 35 ? 7.648 5.788 37.922 1.00 29.17 ? 35 SER B N 1 ATOM 5225 C CA . SER B 1 35 ? 7.927 5.870 36.486 1.00 29.89 ? 35 SER B CA 1 ATOM 5226 C C . SER B 1 35 ? 7.622 7.280 35.923 1.00 27.24 ? 35 SER B C 1 ATOM 5227 O O . SER B 1 35 ? 8.455 7.878 35.251 1.00 27.02 ? 35 SER B O 1 ATOM 5228 C CB . SER B 1 35 ? 7.149 4.780 35.734 1.00 31.08 ? 35 SER B CB 1 ATOM 5229 O OG . SER B 1 35 ? 7.172 5.016 34.341 1.00 36.10 ? 35 SER B OG 1 ATOM 5230 N N . VAL B 1 36 ? 6.439 7.808 36.224 1.00 25.92 ? 36 VAL B N 1 ATOM 5231 C CA . VAL B 1 36 ? 6.032 9.122 35.711 1.00 24.29 ? 36 VAL B CA 1 ATOM 5232 C C . VAL B 1 36 ? 6.967 10.211 36.256 1.00 23.65 ? 36 VAL B C 1 ATOM 5233 O O . VAL B 1 36 ? 7.429 11.056 35.502 1.00 22.99 ? 36 VAL B O 1 ATOM 5234 C CB . VAL B 1 36 ? 4.548 9.439 36.004 1.00 24.06 ? 36 VAL B CB 1 ATOM 5235 C CG1 . VAL B 1 36 ? 4.194 10.846 35.544 1.00 23.95 ? 36 VAL B CG1 1 ATOM 5236 C CG2 . VAL B 1 36 ? 3.640 8.437 35.300 1.00 23.53 ? 36 VAL B CG2 1 ATOM 5237 N N . ALA B 1 37 ? 7.263 10.162 37.553 1.00 23.49 ? 37 ALA B N 1 ATOM 5238 C CA . ALA B 1 37 ? 8.162 11.132 38.195 1.00 24.25 ? 37 ALA B CA 1 ATOM 5239 C C . ALA B 1 37 ? 9.563 11.155 37.555 1.00 23.89 ? 37 ALA B C 1 ATOM 5240 O O . ALA B 1 37 ? 10.161 12.215 37.359 1.00 24.46 ? 37 ALA B O 1 ATOM 5241 C CB . ALA B 1 37 ? 8.267 10.838 39.690 1.00 24.22 ? 37 ALA B CB 1 ATOM 5242 N N . ALA B 1 38 ? 10.082 9.973 37.248 1.00 24.80 ? 38 ALA B N 1 ATOM 5243 C CA . ALA B 1 38 ? 11.385 9.840 36.608 1.00 24.74 ? 38 ALA B CA 1 ATOM 5244 C C . ALA B 1 38 ? 11.330 10.362 35.163 1.00 24.25 ? 38 ALA B C 1 ATOM 5245 O O . ALA B 1 38 ? 12.263 11.011 34.691 1.00 23.40 ? 38 ALA B O 1 ATOM 5246 C CB . ALA B 1 38 ? 11.853 8.388 36.666 1.00 25.23 ? 38 ALA B CB 1 ATOM 5247 N N . SER B 1 39 ? 10.226 10.094 34.463 1.00 23.72 ? 39 SER B N 1 ATOM 5248 C CA . SER B 1 39 ? 10.044 10.664 33.129 1.00 23.93 ? 39 SER B CA 1 ATOM 5249 C C . SER B 1 39 ? 9.975 12.191 33.160 1.00 23.61 ? 39 SER B C 1 ATOM 5250 O O . SER B 1 39 ? 10.575 12.849 32.313 1.00 23.13 ? 39 SER B O 1 ATOM 5251 C CB . SER B 1 39 ? 8.816 10.087 32.440 1.00 23.80 ? 39 SER B CB 1 ATOM 5252 O OG . SER B 1 39 ? 9.072 8.732 32.126 1.00 26.42 ? 39 SER B OG 1 ATOM 5253 N N . TRP B 1 40 ? 9.245 12.731 34.140 1.00 22.82 ? 40 TRP B N 1 ATOM 5254 C CA . TRP B 1 40 ? 9.119 14.176 34.307 1.00 23.13 ? 40 TRP B CA 1 ATOM 5255 C C . TRP B 1 40 ? 10.499 14.798 34.507 1.00 23.63 ? 40 TRP B C 1 ATOM 5256 O O . TRP B 1 40 ? 10.843 15.785 33.853 1.00 23.50 ? 40 TRP B O 1 ATOM 5257 C CB . TRP B 1 40 ? 8.207 14.522 35.498 1.00 22.80 ? 40 TRP B CB 1 ATOM 5258 C CG . TRP B 1 40 ? 8.101 15.998 35.693 1.00 22.83 ? 40 TRP B CG 1 ATOM 5259 C CD1 . TRP B 1 40 ? 8.898 16.778 36.479 1.00 22.98 ? 40 TRP B CD1 1 ATOM 5260 C CD2 . TRP B 1 40 ? 7.187 16.886 35.034 1.00 22.41 ? 40 TRP B CD2 1 ATOM 5261 N NE1 . TRP B 1 40 ? 8.523 18.097 36.368 1.00 23.79 ? 40 TRP B NE1 1 ATOM 5262 C CE2 . TRP B 1 40 ? 7.464 18.187 35.498 1.00 22.71 ? 40 TRP B CE2 1 ATOM 5263 C CE3 . TRP B 1 40 ? 6.136 16.703 34.117 1.00 21.87 ? 40 TRP B CE3 1 ATOM 5264 C CZ2 . TRP B 1 40 ? 6.743 19.308 35.060 1.00 22.79 ? 40 TRP B CZ2 1 ATOM 5265 C CZ3 . TRP B 1 40 ? 5.415 17.822 33.688 1.00 21.35 ? 40 TRP B CZ3 1 ATOM 5266 C CH2 . TRP B 1 40 ? 5.727 19.103 34.155 1.00 21.50 ? 40 TRP B CH2 1 ATOM 5267 N N . ALA B 1 41 ? 11.273 14.207 35.412 1.00 23.95 ? 41 ALA B N 1 ATOM 5268 C CA . ALA B 1 41 ? 12.615 14.683 35.744 1.00 25.00 ? 41 ALA B CA 1 ATOM 5269 C C . ALA B 1 41 ? 13.536 14.714 34.530 1.00 25.87 ? 41 ALA B C 1 ATOM 5270 O O . ALA B 1 41 ? 14.398 15.585 34.420 1.00 26.80 ? 41 ALA B O 1 ATOM 5271 C CB . ALA B 1 41 ? 13.225 13.818 36.841 1.00 25.44 ? 41 ALA B CB 1 ATOM 5272 N N . HIS B 1 42 ? 13.364 13.753 33.627 1.00 25.60 ? 42 HIS B N 1 ATOM 5273 C CA . HIS B 1 42 ? 14.128 13.742 32.395 1.00 26.01 ? 42 HIS B CA 1 ATOM 5274 C C . HIS B 1 42 ? 13.627 14.799 31.405 1.00 25.21 ? 42 HIS B C 1 ATOM 5275 O O . HIS B 1 42 ? 14.399 15.621 30.911 1.00 23.55 ? 42 HIS B O 1 ATOM 5276 C CB . HIS B 1 42 ? 14.075 12.357 31.759 1.00 27.55 ? 42 HIS B CB 1 ATOM 5277 C CG . HIS B 1 42 ? 14.752 12.286 30.430 1.00 28.65 ? 42 HIS B CG 1 ATOM 5278 N ND1 . HIS B 1 42 ? 14.074 12.446 29.241 1.00 29.00 ? 42 HIS B ND1 1 ATOM 5279 C CD2 . HIS B 1 42 ? 16.053 12.100 30.101 1.00 29.65 ? 42 HIS B CD2 1 ATOM 5280 C CE1 . HIS B 1 42 ? 14.925 12.342 28.235 1.00 29.14 ? 42 HIS B CE1 1 ATOM 5281 N NE2 . HIS B 1 42 ? 16.132 12.132 28.730 1.00 29.01 ? 42 HIS B NE2 1 ATOM 5282 N N . ASP B 1 43 ? 12.326 14.764 31.120 1.00 24.14 ? 43 ASP B N 1 ATOM 5283 C CA . ASP B 1 43 ? 11.749 15.582 30.051 1.00 23.33 ? 43 ASP B CA 1 ATOM 5284 C C . ASP B 1 43 ? 11.826 17.083 30.277 1.00 23.63 ? 43 ASP B C 1 ATOM 5285 O O . ASP B 1 43 ? 11.785 17.859 29.300 1.00 23.73 ? 43 ASP B O 1 ATOM 5286 C CB . ASP B 1 43 ? 10.298 15.175 29.805 1.00 23.25 ? 43 ASP B CB 1 ATOM 5287 C CG . ASP B 1 43 ? 10.178 13.820 29.136 1.00 23.82 ? 43 ASP B CG 1 ATOM 5288 O OD1 . ASP B 1 43 ? 11.212 13.133 28.939 1.00 24.34 ? 43 ASP B OD1 1 ATOM 5289 O OD2 . ASP B 1 43 ? 9.039 13.452 28.796 1.00 23.10 ? 43 ASP B OD2 1 ATOM 5290 N N . THR B 1 44 ? 11.901 17.493 31.546 1.00 23.06 ? 44 THR B N 1 ATOM 5291 C CA . THR B 1 44 ? 12.035 18.909 31.894 1.00 24.15 ? 44 THR B CA 1 ATOM 5292 C C . THR B 1 44 ? 13.501 19.267 32.160 1.00 25.70 ? 44 THR B C 1 ATOM 5293 O O . THR B 1 44 ? 13.802 20.383 32.575 1.00 25.97 ? 44 THR B O 1 ATOM 5294 C CB . THR B 1 44 ? 11.214 19.293 33.151 1.00 24.23 ? 44 THR B CB 1 ATOM 5295 O OG1 . THR B 1 44 ? 11.626 18.485 34.268 1.00 24.37 ? 44 THR B OG1 1 ATOM 5296 C CG2 . THR B 1 44 ? 9.708 19.130 32.910 1.00 23.76 ? 44 THR B CG2 1 ATOM 5297 N N . ASN B 1 45 ? 14.400 18.324 31.895 1.00 26.35 ? 45 ASN B N 1 ATOM 5298 C CA . ASN B 1 45 ? 15.814 18.480 32.210 1.00 28.89 ? 45 ASN B CA 1 ATOM 5299 C C . ASN B 1 45 ? 16.578 17.281 31.640 1.00 28.35 ? 45 ASN B C 1 ATOM 5300 O O . ASN B 1 45 ? 16.901 16.325 32.352 1.00 28.80 ? 45 ASN B O 1 ATOM 5301 C CB . ASN B 1 45 ? 15.965 18.632 33.732 1.00 30.03 ? 45 ASN B CB 1 ATOM 5302 C CG . ASN B 1 45 ? 17.394 18.857 34.179 1.00 33.32 ? 45 ASN B CG 1 ATOM 5303 O OD1 . ASN B 1 45 ? 18.274 19.233 33.396 1.00 31.83 ? 45 ASN B OD1 1 ATOM 5304 N ND2 . ASN B 1 45 ? 17.621 18.627 35.467 1.00 35.57 ? 45 ASN B ND2 1 ATOM 5305 N N . ILE B 1 46 ? 16.819 17.329 30.333 1.00 28.07 ? 46 ILE B N 1 ATOM 5306 C CA . ILE B 1 46 ? 17.430 16.220 29.606 1.00 28.27 ? 46 ILE B CA 1 ATOM 5307 C C . ILE B 1 46 ? 18.940 16.154 29.891 1.00 30.15 ? 46 ILE B C 1 ATOM 5308 O O . ILE B 1 46 ? 19.695 17.015 29.449 1.00 28.93 ? 46 ILE B O 1 ATOM 5309 C CB . ILE B 1 46 ? 17.206 16.338 28.085 1.00 27.68 ? 46 ILE B CB 1 ATOM 5310 C CG1 . ILE B 1 46 ? 15.711 16.462 27.762 1.00 27.36 ? 46 ILE B CG1 1 ATOM 5311 C CG2 . ILE B 1 46 ? 17.845 15.156 27.351 1.00 27.29 ? 46 ILE B CG2 1 ATOM 5312 C CD1 . ILE B 1 46 ? 15.410 16.764 26.308 1.00 26.39 ? 46 ILE B CD1 1 ATOM 5313 N N . THR B 1 47 ? 19.339 15.137 30.657 1.00 30.69 ? 47 THR B N 1 ATOM 5314 C CA . THR B 1 47 ? 20.743 14.820 30.941 1.00 31.72 ? 47 THR B CA 1 ATOM 5315 C C . THR B 1 47 ? 20.908 13.304 30.870 1.00 31.80 ? 47 THR B C 1 ATOM 5316 O O . THR B 1 47 ? 19.920 12.550 30.934 1.00 31.24 ? 47 THR B O 1 ATOM 5317 C CB . THR B 1 47 ? 21.187 15.286 32.355 1.00 31.48 ? 47 THR B CB 1 ATOM 5318 O OG1 . THR B 1 47 ? 20.517 14.503 33.350 1.00 31.08 ? 47 THR B OG1 1 ATOM 5319 C CG2 . THR B 1 47 ? 20.901 16.770 32.600 1.00 30.65 ? 47 THR B CG2 1 ATOM 5320 N N . ALA B 1 48 ? 22.157 12.858 30.755 1.00 32.85 ? 48 ALA B N 1 ATOM 5321 C CA . ALA B 1 48 ? 22.483 11.433 30.763 1.00 33.45 ? 48 ALA B CA 1 ATOM 5322 C C . ALA B 1 48 ? 22.080 10.780 32.079 1.00 33.99 ? 48 ALA B C 1 ATOM 5323 O O . ALA B 1 48 ? 21.615 9.636 32.099 1.00 34.26 ? 48 ALA B O 1 ATOM 5324 C CB . ALA B 1 48 ? 23.974 11.227 30.500 1.00 34.81 ? 48 ALA B CB 1 ATOM 5325 N N . GLU B 1 49 ? 22.257 11.515 33.173 1.00 34.81 ? 49 GLU B N 1 ATOM 5326 C CA . GLU B 1 49 ? 21.947 11.016 34.504 1.00 36.62 ? 49 GLU B CA 1 ATOM 5327 C C . GLU B 1 49 ? 20.441 10.863 34.685 1.00 35.04 ? 49 GLU B C 1 ATOM 5328 O O . GLU B 1 49 ? 19.970 9.886 35.285 1.00 34.40 ? 49 GLU B O 1 ATOM 5329 C CB . GLU B 1 49 ? 22.542 11.946 35.563 1.00 40.27 ? 49 GLU B CB 1 ATOM 5330 C CG . GLU B 1 49 ? 22.489 11.455 37.008 1.00 46.08 ? 49 GLU B CG 1 ATOM 5331 C CD . GLU B 1 49 ? 22.846 9.982 37.193 1.00 48.91 ? 49 GLU B CD 1 ATOM 5332 O OE1 . GLU B 1 49 ? 23.774 9.473 36.518 1.00 52.71 ? 49 GLU B OE1 1 ATOM 5333 O OE2 . GLU B 1 49 ? 22.194 9.332 38.040 1.00 50.63 ? 49 GLU B OE2 1 ATOM 5334 N N . ASN B 1 50 ? 19.687 11.822 34.154 1.00 32.84 ? 50 ASN B N 1 ATOM 5335 C CA . ASN B 1 50 ? 18.232 11.746 34.225 1.00 31.38 ? 50 ASN B CA 1 ATOM 5336 C C . ASN B 1 50 ? 17.691 10.636 33.338 1.00 29.81 ? 50 ASN B C 1 ATOM 5337 O O . ASN B 1 50 ? 16.736 9.957 33.720 1.00 29.24 ? 50 ASN B O 1 ATOM 5338 C CB . ASN B 1 50 ? 17.577 13.108 33.952 1.00 31.03 ? 50 ASN B CB 1 ATOM 5339 C CG . ASN B 1 50 ? 17.771 14.084 35.113 1.00 32.49 ? 50 ASN B CG 1 ATOM 5340 O OD1 . ASN B 1 50 ? 18.085 13.676 36.241 1.00 32.30 ? 50 ASN B OD1 1 ATOM 5341 N ND2 . ASN B 1 50 ? 17.596 15.377 34.842 1.00 31.66 ? 50 ASN B ND2 1 ATOM 5342 N N . ALA B 1 51 ? 18.332 10.431 32.188 1.00 29.24 ? 51 ALA B N 1 ATOM 5343 C CA . ALA B 1 51 ? 18.042 9.278 31.316 1.00 30.18 ? 51 ALA B CA 1 ATOM 5344 C C . ALA B 1 51 ? 18.349 7.929 31.997 1.00 30.42 ? 51 ALA B C 1 ATOM 5345 O O . ALA B 1 51 ? 17.581 6.965 31.863 1.00 30.54 ? 51 ALA B O 1 ATOM 5346 C CB . ALA B 1 51 ? 18.793 9.403 29.996 1.00 30.07 ? 51 ALA B CB 1 ATOM 5347 N N . ARG B 1 52 ? 19.461 7.866 32.730 1.00 31.71 ? 52 ARG B N 1 ATOM 5348 C CA . ARG B 1 52 ? 19.821 6.658 33.493 1.00 32.71 ? 52 ARG B CA 1 ATOM 5349 C C . ARG B 1 52 ? 18.758 6.325 34.560 1.00 32.39 ? 52 ARG B C 1 ATOM 5350 O O . ARG B 1 52 ? 18.336 5.164 34.698 1.00 31.22 ? 52 ARG B O 1 ATOM 5351 C CB . ARG B 1 52 ? 21.219 6.803 34.117 1.00 35.31 ? 52 ARG B CB 1 ATOM 5352 C CG . ARG B 1 52 ? 21.753 5.531 34.763 1.00 38.54 ? 52 ARG B CG 1 ATOM 5353 C CD . ARG B 1 52 ? 22.938 5.767 35.709 1.00 40.98 ? 52 ARG B CD 1 ATOM 5354 N NE . ARG B 1 52 ? 22.598 6.538 36.913 1.00 43.46 ? 52 ARG B NE 1 ATOM 5355 C CZ . ARG B 1 52 ? 21.820 6.110 37.913 1.00 44.46 ? 52 ARG B CZ 1 ATOM 5356 N NH1 . ARG B 1 52 ? 21.258 4.903 37.885 1.00 46.26 ? 52 ARG B NH1 1 ATOM 5357 N NH2 . ARG B 1 52 ? 21.584 6.905 38.947 1.00 44.62 ? 52 ARG B NH2 1 ATOM 5358 N N . ARG B 1 53 ? 18.309 7.345 35.288 1.00 32.18 ? 53 ARG B N 1 ATOM 5359 C CA . ARG B 1 53 ? 17.290 7.164 36.319 1.00 33.93 ? 53 ARG B CA 1 ATOM 5360 C C . ARG B 1 53 ? 15.943 6.767 35.719 1.00 33.26 ? 53 ARG B C 1 ATOM 5361 O O . ARG B 1 53 ? 15.222 5.924 36.258 1.00 32.42 ? 53 ARG B O 1 ATOM 5362 C CB . ARG B 1 53 ? 17.139 8.431 37.161 1.00 36.16 ? 53 ARG B CB 1 ATOM 5363 C CG . ARG B 1 53 ? 18.299 8.688 38.111 1.00 40.27 ? 53 ARG B CG 1 ATOM 5364 C CD . ARG B 1 53 ? 17.986 9.897 38.968 1.00 43.61 ? 53 ARG B CD 1 ATOM 5365 N NE . ARG B 1 53 ? 19.142 10.377 39.721 1.00 51.08 ? 53 ARG B NE 1 ATOM 5366 C CZ . ARG B 1 53 ? 19.912 11.399 39.356 1.00 52.73 ? 53 ARG B CZ 1 ATOM 5367 N NH1 . ARG B 1 53 ? 19.666 12.061 38.233 1.00 55.59 ? 53 ARG B NH1 1 ATOM 5368 N NH2 . ARG B 1 53 ? 20.933 11.764 40.119 1.00 56.72 ? 53 ARG B NH2 1 ATOM 5369 N N . GLN B 1 54 ? 15.621 7.366 34.582 1.00 33.57 ? 54 GLN B N 1 ATOM 5370 C CA . GLN B 1 54 ? 14.389 7.062 33.886 1.00 34.09 ? 54 GLN B CA 1 ATOM 5371 C C . GLN B 1 54 ? 14.388 5.587 33.433 1.00 32.51 ? 54 GLN B C 1 ATOM 5372 O O . GLN B 1 54 ? 13.386 4.884 33.582 1.00 31.46 ? 54 GLN B O 1 ATOM 5373 C CB . GLN B 1 54 ? 14.211 8.061 32.738 1.00 36.65 ? 54 GLN B CB 1 ATOM 5374 C CG . GLN B 1 54 ? 12.898 7.967 31.992 1.00 39.95 ? 54 GLN B CG 1 ATOM 5375 C CD . GLN B 1 54 ? 13.045 7.120 30.760 1.00 42.44 ? 54 GLN B CD 1 ATOM 5376 O OE1 . GLN B 1 54 ? 13.867 7.418 29.882 1.00 47.24 ? 54 GLN B OE1 1 ATOM 5377 N NE2 . GLN B 1 54 ? 12.262 6.053 30.683 1.00 42.29 ? 54 GLN B NE2 1 ATOM 5378 N N . GLU B 1 55 ? 15.528 5.124 32.930 1.00 32.21 ? 55 GLU B N 1 ATOM 5379 C CA . GLU B 1 55 ? 15.708 3.726 32.521 1.00 33.27 ? 55 GLU B CA 1 ATOM 5380 C C . GLU B 1 55 ? 15.630 2.726 33.684 1.00 33.58 ? 55 GLU B C 1 ATOM 5381 O O . GLU B 1 55 ? 15.086 1.621 33.520 1.00 33.80 ? 55 GLU B O 1 ATOM 5382 C CB . GLU B 1 55 ? 17.013 3.561 31.737 1.00 33.13 ? 55 GLU B CB 1 ATOM 5383 C CG . GLU B 1 55 ? 16.917 4.115 30.320 1.00 33.65 ? 55 GLU B CG 1 ATOM 5384 C CD . GLU B 1 55 ? 18.269 4.350 29.677 1.00 34.23 ? 55 GLU B CD 1 ATOM 5385 O OE1 . GLU B 1 55 ? 19.163 3.496 29.820 1.00 36.37 ? 55 GLU B OE1 1 ATOM 5386 O OE2 . GLU B 1 55 ? 18.443 5.384 29.013 1.00 33.89 ? 55 GLU B OE2 1 ATOM 5387 N N . GLU B 1 56 ? 16.169 3.120 34.839 1.00 33.92 ? 56 GLU B N 1 ATOM 5388 C CA . GLU B 1 56 ? 16.023 2.373 36.092 1.00 35.34 ? 56 GLU B CA 1 ATOM 5389 C C . GLU B 1 56 ? 14.552 2.158 36.457 1.00 34.02 ? 56 GLU B C 1 ATOM 5390 O O . GLU B 1 56 ? 14.159 1.055 36.855 1.00 33.95 ? 56 GLU B O 1 ATOM 5391 C CB . GLU B 1 56 ? 16.677 3.134 37.239 1.00 38.21 ? 56 GLU B CB 1 ATOM 5392 C CG . GLU B 1 56 ? 18.130 2.813 37.534 1.00 43.33 ? 56 GLU B CG 1 ATOM 5393 C CD . GLU B 1 56 ? 18.546 3.326 38.916 1.00 48.15 ? 56 GLU B CD 1 ATOM 5394 O OE1 . GLU B 1 56 ? 17.880 4.251 39.449 1.00 49.00 ? 56 GLU B OE1 1 ATOM 5395 O OE2 . GLU B 1 56 ? 19.535 2.802 39.481 1.00 50.63 ? 56 GLU B OE2 1 ATOM 5396 N N . ALA B 1 57 ? 13.753 3.219 36.331 1.00 31.53 ? 57 ALA B N 1 ATOM 5397 C CA . ALA B 1 57 ? 12.338 3.166 36.684 1.00 31.77 ? 57 ALA B CA 1 ATOM 5398 C C . ALA B 1 57 ? 11.566 2.303 35.698 1.00 31.64 ? 57 ALA B C 1 ATOM 5399 O O . ALA B 1 57 ? 10.606 1.611 36.077 1.00 32.31 ? 57 ALA B O 1 ATOM 5400 C CB . ALA B 1 57 ? 11.744 4.566 36.749 1.00 31.37 ? 57 ALA B CB 1 ATOM 5401 N N . ALA B 1 58 ? 11.991 2.360 34.438 1.00 31.61 ? 58 ALA B N 1 ATOM 5402 C CA . ALA B 1 58 ? 11.419 1.567 33.365 1.00 30.90 ? 58 ALA B CA 1 ATOM 5403 C C . ALA B 1 58 ? 11.591 0.067 33.636 1.00 31.76 ? 58 ALA B C 1 ATOM 5404 O O . ALA B 1 58 ? 10.636 -0.700 33.490 1.00 32.34 ? 58 ALA B O 1 ATOM 5405 C CB . ALA B 1 58 ? 12.049 1.957 32.035 1.00 30.86 ? 58 ALA B CB 1 ATOM 5406 N N . LEU B 1 59 ? 12.793 -0.339 34.048 1.00 32.16 ? 59 LEU B N 1 ATOM 5407 C CA . LEU B 1 59 ? 13.056 -1.734 34.445 1.00 33.52 ? 59 LEU B CA 1 ATOM 5408 C C . LEU B 1 59 ? 12.171 -2.237 35.594 1.00 33.57 ? 59 LEU B C 1 ATOM 5409 O O . LEU B 1 59 ? 11.675 -3.365 35.552 1.00 32.95 ? 59 LEU B O 1 ATOM 5410 C CB . LEU B 1 59 ? 14.528 -1.938 34.818 1.00 35.34 ? 59 LEU B CB 1 ATOM 5411 C CG . LEU B 1 59 ? 15.569 -2.306 33.750 1.00 37.32 ? 59 LEU B CG 1 ATOM 5412 C CD1 . LEU B 1 59 ? 16.900 -2.625 34.420 1.00 36.73 ? 59 LEU B CD1 1 ATOM 5413 C CD2 . LEU B 1 59 ? 15.125 -3.465 32.856 1.00 36.31 ? 59 LEU B CD2 1 ATOM 5414 N N . LEU B 1 60 ? 11.984 -1.402 36.614 1.00 33.60 ? 60 LEU B N 1 ATOM 5415 C CA . LEU B 1 60 ? 11.155 -1.766 37.756 1.00 35.21 ? 60 LEU B CA 1 ATOM 5416 C C . LEU B 1 60 ? 9.703 -1.994 37.341 1.00 34.99 ? 60 LEU B C 1 ATOM 5417 O O . LEU B 1 60 ? 9.084 -2.968 37.785 1.00 34.57 ? 60 LEU B O 1 ATOM 5418 C CB . LEU B 1 60 ? 11.233 -0.709 38.863 1.00 37.42 ? 60 LEU B CB 1 ATOM 5419 C CG . LEU B 1 60 ? 12.528 -0.490 39.660 1.00 40.57 ? 60 LEU B CG 1 ATOM 5420 C CD1 . LEU B 1 60 ? 12.316 0.625 40.678 1.00 39.96 ? 60 LEU B CD1 1 ATOM 5421 C CD2 . LEU B 1 60 ? 13.037 -1.754 40.355 1.00 41.36 ? 60 LEU B CD2 1 ATOM 5422 N N . SER B 1 61 ? 9.175 -1.106 36.488 1.00 33.90 ? 61 SER B N 1 ATOM 5423 C CA . SER B 1 61 ? 7.832 -1.268 35.904 1.00 34.54 ? 61 SER B CA 1 ATOM 5424 C C . SER B 1 61 ? 7.713 -2.602 35.201 1.00 33.47 ? 61 SER B C 1 ATOM 5425 O O . SER B 1 61 ? 6.709 -3.304 35.349 1.00 34.19 ? 61 SER B O 1 ATOM 5426 C CB . SER B 1 61 ? 7.507 -0.157 34.891 1.00 33.98 ? 61 SER B CB 1 ATOM 5427 O OG . SER B 1 61 ? 7.589 1.115 35.488 1.00 37.14 ? 61 SER B OG 1 ATOM 5428 N N . GLN B 1 62 ? 8.735 -2.935 34.423 1.00 31.68 ? 62 GLN B N 1 ATOM 5429 C CA . GLN B 1 62 ? 8.766 -4.196 33.692 1.00 32.56 ? 62 GLN B CA 1 ATOM 5430 C C . GLN B 1 62 ? 8.815 -5.411 34.633 1.00 33.22 ? 62 GLN B C 1 ATOM 5431 O O . GLN B 1 62 ? 8.128 -6.417 34.395 1.00 33.05 ? 62 GLN B O 1 ATOM 5432 C CB . GLN B 1 62 ? 9.920 -4.197 32.684 1.00 31.75 ? 62 GLN B CB 1 ATOM 5433 C CG . GLN B 1 62 ? 9.653 -3.283 31.491 1.00 31.51 ? 62 GLN B CG 1 ATOM 5434 C CD . GLN B 1 62 ? 10.913 -2.822 30.759 1.00 31.10 ? 62 GLN B CD 1 ATOM 5435 O OE1 . GLN B 1 62 ? 12.001 -2.735 31.337 1.00 31.09 ? 62 GLN B OE1 1 ATOM 5436 N NE2 . GLN B 1 62 ? 10.756 -2.494 29.475 1.00 31.10 ? 62 GLN B NE2 1 ATOM 5437 N N . GLU B 1 63 ? 9.602 -5.313 35.702 1.00 33.86 ? 63 GLU B N 1 ATOM 5438 C CA . GLU B 1 63 ? 9.612 -6.363 36.735 1.00 35.62 ? 63 GLU B CA 1 ATOM 5439 C C . GLU B 1 63 ? 8.221 -6.515 37.353 1.00 33.94 ? 63 GLU B C 1 ATOM 5440 O O . GLU B 1 63 ? 7.738 -7.634 37.542 1.00 32.78 ? 63 GLU B O 1 ATOM 5441 C CB . GLU B 1 63 ? 10.640 -6.065 37.826 1.00 38.30 ? 63 GLU B CB 1 ATOM 5442 C CG . GLU B 1 63 ? 12.088 -6.042 37.342 1.00 42.93 ? 63 GLU B CG 1 ATOM 5443 C CD . GLU B 1 63 ? 13.075 -5.679 38.441 1.00 46.88 ? 63 GLU B CD 1 ATOM 5444 O OE1 . GLU B 1 63 ? 12.649 -5.526 39.605 1.00 49.05 ? 63 GLU B OE1 1 ATOM 5445 O OE2 . GLU B 1 63 ? 14.283 -5.543 38.139 1.00 50.97 ? 63 GLU B OE2 1 ATOM 5446 N N . PHE B 1 64 ? 7.590 -5.381 37.647 1.00 32.66 ? 64 PHE B N 1 ATOM 5447 C CA . PHE B 1 64 ? 6.236 -5.359 38.187 1.00 33.70 ? 64 PHE B CA 1 ATOM 5448 C C . PHE B 1 64 ? 5.272 -6.024 37.202 1.00 33.87 ? 64 PHE B C 1 ATOM 5449 O O . PHE B 1 64 ? 4.549 -6.951 37.570 1.00 34.95 ? 64 PHE B O 1 ATOM 5450 C CB . PHE B 1 64 ? 5.789 -3.919 38.504 1.00 32.41 ? 64 PHE B CB 1 ATOM 5451 C CG . PHE B 1 64 ? 4.379 -3.818 39.042 1.00 31.82 ? 64 PHE B CG 1 ATOM 5452 C CD1 . PHE B 1 64 ? 4.123 -3.988 40.399 1.00 32.50 ? 64 PHE B CD1 1 ATOM 5453 C CD2 . PHE B 1 64 ? 3.309 -3.560 38.189 1.00 31.37 ? 64 PHE B CD2 1 ATOM 5454 C CE1 . PHE B 1 64 ? 2.826 -3.893 40.896 1.00 33.09 ? 64 PHE B CE1 1 ATOM 5455 C CE2 . PHE B 1 64 ? 2.007 -3.472 38.677 1.00 31.51 ? 64 PHE B CE2 1 ATOM 5456 C CZ . PHE B 1 64 ? 1.768 -3.636 40.031 1.00 31.85 ? 64 PHE B CZ 1 ATOM 5457 N N . ALA B 1 65 ? 5.290 -5.558 35.953 1.00 33.64 ? 65 ALA B N 1 ATOM 5458 C CA . ALA B 1 65 ? 4.399 -6.064 34.906 1.00 34.86 ? 65 ALA B CA 1 ATOM 5459 C C . ALA B 1 65 ? 4.543 -7.572 34.713 1.00 35.95 ? 65 ALA B C 1 ATOM 5460 O O . ALA B 1 65 ? 3.541 -8.274 34.548 1.00 36.57 ? 65 ALA B O 1 ATOM 5461 C CB . ALA B 1 65 ? 4.637 -5.330 33.593 1.00 34.39 ? 65 ALA B CB 1 ATOM 5462 N N . GLU B 1 66 ? 5.783 -8.059 34.756 1.00 35.60 ? 66 GLU B N 1 ATOM 5463 C CA . GLU B 1 66 ? 6.072 -9.489 34.623 1.00 37.79 ? 66 GLU B CA 1 ATOM 5464 C C . GLU B 1 66 ? 5.475 -10.320 35.774 1.00 36.82 ? 66 GLU B C 1 ATOM 5465 O O . GLU B 1 66 ? 4.819 -11.338 35.528 1.00 36.11 ? 66 GLU B O 1 ATOM 5466 C CB . GLU B 1 66 ? 7.586 -9.735 34.509 1.00 40.01 ? 66 GLU B CB 1 ATOM 5467 C CG . GLU B 1 66 ? 7.980 -11.177 34.175 1.00 43.81 ? 66 GLU B CG 1 ATOM 5468 C CD . GLU B 1 66 ? 9.465 -11.467 34.400 1.00 46.12 ? 66 GLU B CD 1 ATOM 5469 O OE1 . GLU B 1 66 ? 10.176 -10.638 35.019 1.00 47.79 ? 66 GLU B OE1 1 ATOM 5470 O OE2 . GLU B 1 66 ? 9.934 -12.535 33.959 1.00 49.41 ? 66 GLU B OE2 1 ATOM 5471 N N . ALA B 1 67 ? 5.704 -9.879 37.011 1.00 35.98 ? 67 ALA B N 1 ATOM 5472 C CA . ALA B 1 67 ? 5.228 -10.598 38.200 1.00 36.80 ? 67 ALA B CA 1 ATOM 5473 C C . ALA B 1 67 ? 3.699 -10.728 38.209 1.00 36.72 ? 67 ALA B C 1 ATOM 5474 O O . ALA B 1 67 ? 3.157 -11.800 38.492 1.00 37.57 ? 67 ALA B O 1 ATOM 5475 C CB . ALA B 1 67 ? 5.708 -9.913 39.469 1.00 35.78 ? 67 ALA B CB 1 ATOM 5476 N N . TRP B 1 68 ? 3.013 -9.634 37.889 1.00 35.04 ? 68 TRP B N 1 ATOM 5477 C CA . TRP B 1 68 ? 1.554 -9.607 37.961 1.00 35.22 ? 68 TRP B CA 1 ATOM 5478 C C . TRP B 1 68 ? 0.905 -10.256 36.733 1.00 36.24 ? 68 TRP B C 1 ATOM 5479 O O . TRP B 1 68 ? -0.116 -10.963 36.850 1.00 35.26 ? 68 TRP B O 1 ATOM 5480 C CB . TRP B 1 68 ? 1.059 -8.186 38.221 1.00 33.81 ? 68 TRP B CB 1 ATOM 5481 C CG . TRP B 1 68 ? 1.320 -7.771 39.643 1.00 34.06 ? 68 TRP B CG 1 ATOM 5482 C CD1 . TRP B 1 68 ? 2.475 -7.235 40.150 1.00 33.87 ? 68 TRP B CD1 1 ATOM 5483 C CD2 . TRP B 1 68 ? 0.425 -7.911 40.753 1.00 34.19 ? 68 TRP B CD2 1 ATOM 5484 N NE1 . TRP B 1 68 ? 2.341 -7.008 41.499 1.00 33.52 ? 68 TRP B NE1 1 ATOM 5485 C CE2 . TRP B 1 68 ? 1.092 -7.409 41.894 1.00 34.15 ? 68 TRP B CE2 1 ATOM 5486 C CE3 . TRP B 1 68 ? -0.884 -8.394 40.889 1.00 34.81 ? 68 TRP B CE3 1 ATOM 5487 C CZ2 . TRP B 1 68 ? 0.494 -7.380 43.159 1.00 34.64 ? 68 TRP B CZ2 1 ATOM 5488 C CZ3 . TRP B 1 68 ? -1.480 -8.364 42.153 1.00 34.58 ? 68 TRP B CZ3 1 ATOM 5489 C CH2 . TRP B 1 68 ? -0.791 -7.858 43.266 1.00 34.88 ? 68 TRP B CH2 1 ATOM 5490 N N . GLY B 1 69 ? 1.530 -10.045 35.573 1.00 35.66 ? 69 GLY B N 1 ATOM 5491 C CA . GLY B 1 69 ? 1.174 -10.753 34.348 1.00 36.75 ? 69 GLY B CA 1 ATOM 5492 C C . GLY B 1 69 ? 1.263 -12.265 34.444 1.00 38.20 ? 69 GLY B C 1 ATOM 5493 O O . GLY B 1 69 ? 0.325 -12.965 34.047 1.00 38.29 ? 69 GLY B O 1 ATOM 5494 N N . GLN B 1 70 ? 2.388 -12.764 34.963 1.00 39.47 ? 70 GLN B N 1 ATOM 5495 C CA . GLN B 1 70 ? 2.584 -14.197 35.219 1.00 41.62 ? 70 GLN B CA 1 ATOM 5496 C C . GLN B 1 70 ? 1.527 -14.748 36.176 1.00 42.51 ? 70 GLN B C 1 ATOM 5497 O O . GLN B 1 70 ? 0.916 -15.790 35.915 1.00 42.45 ? 70 GLN B O 1 ATOM 5498 C CB . GLN B 1 70 ? 3.985 -14.473 35.790 1.00 42.48 ? 70 GLN B CB 1 ATOM 5499 C CG . GLN B 1 70 ? 5.109 -14.445 34.762 1.00 41.92 ? 70 GLN B CG 1 ATOM 5500 N N . LYS B 1 71 ? 1.320 -14.036 37.278 1.00 42.51 ? 71 LYS B N 1 ATOM 5501 C CA . LYS B 1 71 ? 0.339 -14.425 38.275 1.00 44.77 ? 71 LYS B CA 1 ATOM 5502 C C . LYS B 1 71 ? -1.070 -14.547 37.683 1.00 45.12 ? 71 LYS B C 1 ATOM 5503 O O . LYS B 1 71 ? -1.776 -15.513 37.975 1.00 45.63 ? 71 LYS B O 1 ATOM 5504 C CB . LYS B 1 71 ? 0.350 -13.451 39.459 1.00 46.04 ? 71 LYS B CB 1 ATOM 5505 C CG . LYS B 1 71 ? -0.334 -13.989 40.712 1.00 49.72 ? 71 LYS B CG 1 ATOM 5506 C CD . LYS B 1 71 ? 0.442 -15.141 41.337 1.00 52.21 ? 71 LYS B CD 1 ATOM 5507 C CE . LYS B 1 71 ? -0.392 -15.846 42.388 1.00 55.63 ? 71 LYS B CE 1 ATOM 5508 N NZ . LYS B 1 71 ? 0.428 -16.725 43.270 1.00 58.43 ? 71 LYS B NZ 1 ATOM 5509 N N . ALA B 1 72 ? -1.453 -13.588 36.836 1.00 45.08 ? 72 ALA B N 1 ATOM 5510 C CA . ALA B 1 72 ? -2.802 -13.546 36.258 1.00 46.39 ? 72 ALA B CA 1 ATOM 5511 C C . ALA B 1 72 ? -3.048 -14.689 35.271 1.00 48.01 ? 72 ALA B C 1 ATOM 5512 O O . ALA B 1 72 ? -4.135 -15.276 35.241 1.00 48.04 ? 72 ALA B O 1 ATOM 5513 C CB . ALA B 1 72 ? -3.069 -12.201 35.602 1.00 44.31 ? 72 ALA B CB 1 ATOM 5514 N N . LYS B 1 73 ? -2.030 -15.003 34.478 1.00 49.74 ? 73 LYS B N 1 ATOM 5515 C CA . LYS B 1 73 ? -2.096 -16.124 33.549 1.00 51.20 ? 73 LYS B CA 1 ATOM 5516 C C . LYS B 1 73 ? -2.154 -17.449 34.307 1.00 52.29 ? 73 LYS B C 1 ATOM 5517 O O . LYS B 1 73 ? -2.943 -18.327 33.959 1.00 53.51 ? 73 LYS B O 1 ATOM 5518 C CB . LYS B 1 73 ? -0.928 -16.070 32.560 1.00 52.42 ? 73 LYS B CB 1 ATOM 5519 C CG . LYS B 1 73 ? -1.183 -15.120 31.391 1.00 53.11 ? 73 LYS B CG 1 ATOM 5520 C CD . LYS B 1 73 ? 0.057 -14.340 30.976 1.00 52.67 ? 73 LYS B CD 1 ATOM 5521 C CE . LYS B 1 73 ? 1.136 -15.229 30.378 1.00 53.53 ? 73 LYS B CE 1 ATOM 5522 N NZ . LYS B 1 73 ? 2.486 -14.626 30.580 1.00 54.18 ? 73 LYS B NZ 1 ATOM 5523 N N . GLU B 1 74 ? -1.347 -17.572 35.361 1.00 52.06 ? 74 GLU B N 1 ATOM 5524 C CA . GLU B 1 74 ? -1.358 -18.754 36.225 1.00 52.55 ? 74 GLU B CA 1 ATOM 5525 C C . GLU B 1 74 ? -2.715 -18.989 36.884 1.00 51.47 ? 74 GLU B C 1 ATOM 5526 O O . GLU B 1 74 ? -3.191 -20.114 36.957 1.00 51.25 ? 74 GLU B O 1 ATOM 5527 C CB . GLU B 1 74 ? -0.274 -18.652 37.301 1.00 55.57 ? 74 GLU B CB 1 ATOM 5528 C CG . GLU B 1 74 ? 1.118 -19.048 36.825 1.00 61.78 ? 74 GLU B CG 1 ATOM 5529 C CD . GLU B 1 74 ? 2.193 -18.856 37.887 1.00 65.67 ? 74 GLU B CD 1 ATOM 5530 O OE1 . GLU B 1 74 ? 1.867 -18.435 39.023 1.00 66.68 ? 74 GLU B OE1 1 ATOM 5531 O OE2 . GLU B 1 74 ? 3.375 -19.130 37.580 1.00 67.72 ? 74 GLU B OE2 1 ATOM 5532 N N . LEU B 1 75 ? -3.333 -17.921 37.364 1.00 50.66 ? 75 LEU B N 1 ATOM 5533 C CA . LEU B 1 75 ? -4.578 -18.049 38.100 1.00 50.28 ? 75 LEU B CA 1 ATOM 5534 C C . LEU B 1 75 ? -5.804 -18.083 37.186 1.00 50.53 ? 75 LEU B C 1 ATOM 5535 O O . LEU B 1 75 ? -6.732 -18.856 37.431 1.00 50.96 ? 75 LEU B O 1 ATOM 5536 C CB . LEU B 1 75 ? -4.715 -16.926 39.134 1.00 48.46 ? 75 LEU B CB 1 ATOM 5537 C CG . LEU B 1 75 ? -3.764 -16.849 40.333 1.00 48.33 ? 75 LEU B CG 1 ATOM 5538 C CD1 . LEU B 1 75 ? -4.036 -15.577 41.127 1.00 46.39 ? 75 LEU B CD1 1 ATOM 5539 C CD2 . LEU B 1 75 ? -3.890 -18.078 41.222 1.00 49.83 ? 75 LEU B CD2 1 ATOM 5540 N N . TYR B 1 76 ? -5.800 -17.266 36.130 1.00 49.66 ? 76 TYR B N 1 ATOM 5541 C CA . TYR B 1 76 ? -7.042 -16.963 35.406 1.00 50.26 ? 76 TYR B CA 1 ATOM 5542 C C . TYR B 1 76 ? -7.058 -17.179 33.877 1.00 52.50 ? 76 TYR B C 1 ATOM 5543 O O . TYR B 1 76 ? -8.110 -17.019 33.249 1.00 50.76 ? 76 TYR B O 1 ATOM 5544 C CB . TYR B 1 76 ? -7.515 -15.542 35.758 1.00 47.15 ? 76 TYR B CB 1 ATOM 5545 C CG . TYR B 1 76 ? -7.521 -15.251 37.245 1.00 45.45 ? 76 TYR B CG 1 ATOM 5546 C CD1 . TYR B 1 76 ? -8.369 -15.950 38.109 1.00 46.17 ? 76 TYR B CD1 1 ATOM 5547 C CD2 . TYR B 1 76 ? -6.678 -14.279 37.794 1.00 44.27 ? 76 TYR B CD2 1 ATOM 5548 C CE1 . TYR B 1 76 ? -8.375 -15.694 39.477 1.00 45.60 ? 76 TYR B CE1 1 ATOM 5549 C CE2 . TYR B 1 76 ? -6.683 -14.010 39.161 1.00 43.54 ? 76 TYR B CE2 1 ATOM 5550 C CZ . TYR B 1 76 ? -7.527 -14.721 39.999 1.00 44.45 ? 76 TYR B CZ 1 ATOM 5551 O OH . TYR B 1 76 ? -7.541 -14.470 41.356 1.00 44.53 ? 76 TYR B OH 1 ATOM 5552 N N . GLU B 1 77 ? -5.919 -17.553 33.290 1.00 55.83 ? 77 GLU B N 1 ATOM 5553 C CA . GLU B 1 77 ? -5.790 -17.667 31.820 1.00 60.61 ? 77 GLU B CA 1 ATOM 5554 C C . GLU B 1 77 ? -7.020 -18.240 31.078 1.00 62.05 ? 77 GLU B C 1 ATOM 5555 O O . GLU B 1 77 ? -7.552 -17.585 30.174 1.00 62.88 ? 77 GLU B O 1 ATOM 5556 C CB . GLU B 1 77 ? -4.503 -18.413 31.419 1.00 62.74 ? 77 GLU B CB 1 ATOM 5557 C CG . GLU B 1 77 ? -4.290 -18.574 29.918 1.00 65.92 ? 77 GLU B CG 1 ATOM 5558 C CD . GLU B 1 77 ? -3.651 -17.363 29.250 1.00 68.49 ? 77 GLU B CD 1 ATOM 5559 O OE1 . GLU B 1 77 ? -4.076 -16.211 29.508 1.00 70.47 ? 77 GLU B OE1 1 ATOM 5560 O OE2 . GLU B 1 77 ? -2.721 -17.571 28.440 1.00 69.30 ? 77 GLU B OE2 1 ATOM 5561 N N . PRO B 1 78 ? -7.478 -19.453 31.456 1.00 62.15 ? 78 PRO B N 1 ATOM 5562 C CA . PRO B 1 78 ? -8.576 -20.027 30.680 1.00 63.33 ? 78 PRO B CA 1 ATOM 5563 C C . PRO B 1 78 ? -9.992 -19.654 31.162 1.00 63.58 ? 78 PRO B C 1 ATOM 5564 O O . PRO B 1 78 ? -10.971 -20.015 30.499 1.00 65.24 ? 78 PRO B O 1 ATOM 5565 C CB . PRO B 1 78 ? -8.343 -21.536 30.824 1.00 63.56 ? 78 PRO B CB 1 ATOM 5566 C CG . PRO B 1 78 ? -7.638 -21.697 32.134 1.00 64.16 ? 78 PRO B CG 1 ATOM 5567 C CD . PRO B 1 78 ? -7.027 -20.373 32.520 1.00 62.73 ? 78 PRO B CD 1 ATOM 5568 N N . ILE B 1 79 ? -10.104 -18.945 32.289 1.00 59.92 ? 79 ILE B N 1 ATOM 5569 C CA . ILE B 1 79 ? -11.421 -18.640 32.876 1.00 57.96 ? 79 ILE B CA 1 ATOM 5570 C C . ILE B 1 79 ? -11.849 -17.170 32.824 1.00 56.84 ? 79 ILE B C 1 ATOM 5571 O O . ILE B 1 79 ? -13.050 -16.876 32.855 1.00 56.09 ? 79 ILE B O 1 ATOM 5572 C CB . ILE B 1 79 ? -11.570 -19.171 34.329 1.00 57.66 ? 79 ILE B CB 1 ATOM 5573 C CG1 . ILE B 1 79 ? -10.364 -18.764 35.192 1.00 55.29 ? 79 ILE B CG1 1 ATOM 5574 C CG2 . ILE B 1 79 ? -11.798 -20.678 34.320 1.00 56.96 ? 79 ILE B CG2 1 ATOM 5575 C CD1 . ILE B 1 79 ? -10.489 -19.111 36.658 1.00 54.71 ? 79 ILE B CD1 1 ATOM 5576 N N . TRP B 1 80 ? -10.880 -16.258 32.736 1.00 56.16 ? 80 TRP B N 1 ATOM 5577 C CA . TRP B 1 80 ? -11.168 -14.821 32.828 1.00 56.48 ? 80 TRP B CA 1 ATOM 5578 C C . TRP B 1 80 ? -12.102 -14.313 31.734 1.00 57.08 ? 80 TRP B C 1 ATOM 5579 O O . TRP B 1 80 ? -12.833 -13.337 31.930 1.00 55.56 ? 80 TRP B O 1 ATOM 5580 C CB . TRP B 1 80 ? -9.881 -13.983 32.900 1.00 54.74 ? 80 TRP B CB 1 ATOM 5581 C CG . TRP B 1 80 ? -9.109 -13.829 31.611 1.00 53.32 ? 80 TRP B CG 1 ATOM 5582 C CD1 . TRP B 1 80 ? -8.007 -14.538 31.228 1.00 53.59 ? 80 TRP B CD1 1 ATOM 5583 C CD2 . TRP B 1 80 ? -9.358 -12.879 30.562 1.00 52.71 ? 80 TRP B CD2 1 ATOM 5584 N NE1 . TRP B 1 80 ? -7.560 -14.101 30.003 1.00 53.23 ? 80 TRP B NE1 1 ATOM 5585 C CE2 . TRP B 1 80 ? -8.371 -13.084 29.570 1.00 53.07 ? 80 TRP B CE2 1 ATOM 5586 C CE3 . TRP B 1 80 ? -10.321 -11.877 30.363 1.00 52.65 ? 80 TRP B CE3 1 ATOM 5587 C CZ2 . TRP B 1 80 ? -8.321 -12.326 28.389 1.00 53.12 ? 80 TRP B CZ2 1 ATOM 5588 C CZ3 . TRP B 1 80 ? -10.273 -11.124 29.190 1.00 52.59 ? 80 TRP B CZ3 1 ATOM 5589 C CH2 . TRP B 1 80 ? -9.277 -11.354 28.217 1.00 52.38 ? 80 TRP B CH2 1 ATOM 5590 N N . GLN B 1 81 ? -12.075 -14.991 30.591 1.00 59.35 ? 81 GLN B N 1 ATOM 5591 C CA . GLN B 1 81 ? -12.909 -14.637 29.451 1.00 61.83 ? 81 GLN B CA 1 ATOM 5592 C C . GLN B 1 81 ? -14.396 -14.929 29.691 1.00 61.46 ? 81 GLN B C 1 ATOM 5593 O O . GLN B 1 81 ? -15.259 -14.348 29.030 1.00 60.53 ? 81 GLN B O 1 ATOM 5594 C CB . GLN B 1 81 ? -12.403 -15.340 28.189 1.00 63.39 ? 81 GLN B CB 1 ATOM 5595 C CG . GLN B 1 81 ? -10.920 -15.114 27.928 1.00 65.40 ? 81 GLN B CG 1 ATOM 5596 C CD . GLN B 1 81 ? -10.458 -15.714 26.616 1.00 68.45 ? 81 GLN B CD 1 ATOM 5597 O OE1 . GLN B 1 81 ? -9.938 -16.829 26.583 1.00 71.05 ? 81 GLN B OE1 1 ATOM 5598 N NE2 . GLN B 1 81 ? -10.652 -14.979 25.524 1.00 67.95 ? 81 GLN B NE2 1 ATOM 5599 N N . GLN B 1 82 ? -14.688 -15.811 30.647 1.00 61.92 ? 82 GLN B N 1 ATOM 5600 C CA . GLN B 1 82 ? -16.073 -16.157 30.979 1.00 62.16 ? 82 GLN B CA 1 ATOM 5601 C C . GLN B 1 82 ? -16.594 -15.498 32.265 1.00 61.60 ? 82 GLN B C 1 ATOM 5602 O O . GLN B 1 82 ? -17.651 -15.885 32.774 1.00 60.68 ? 82 GLN B O 1 ATOM 5603 C CB . GLN B 1 82 ? -16.267 -17.681 31.039 1.00 63.87 ? 82 GLN B CB 1 ATOM 5604 C CG . GLN B 1 82 ? -16.136 -18.398 29.699 1.00 65.85 ? 82 GLN B CG 1 ATOM 5605 C CD . GLN B 1 82 ? -14.758 -19.007 29.479 1.00 66.09 ? 82 GLN B CD 1 ATOM 5606 O OE1 . GLN B 1 82 ? -14.340 -19.910 30.210 1.00 66.57 ? 82 GLN B OE1 1 ATOM 5607 N NE2 . GLN B 1 82 ? -14.052 -18.525 28.459 1.00 65.43 ? 82 GLN B NE2 1 ATOM 5608 N N . PHE B 1 83 ? -15.869 -14.505 32.786 1.00 59.08 ? 83 PHE B N 1 ATOM 5609 C CA . PHE B 1 83 ? -16.351 -13.758 33.953 1.00 59.14 ? 83 PHE B CA 1 ATOM 5610 C C . PHE B 1 83 ? -17.560 -12.910 33.570 1.00 57.84 ? 83 PHE B C 1 ATOM 5611 O O . PHE B 1 83 ? -17.655 -12.433 32.436 1.00 56.98 ? 83 PHE B O 1 ATOM 5612 C CB . PHE B 1 83 ? -15.256 -12.875 34.572 1.00 59.42 ? 83 PHE B CB 1 ATOM 5613 C CG . PHE B 1 83 ? -14.143 -13.645 35.241 1.00 61.00 ? 83 PHE B CG 1 ATOM 5614 C CD1 . PHE B 1 83 ? -14.339 -14.952 35.696 1.00 61.65 ? 83 PHE B CD1 1 ATOM 5615 C CD2 . PHE B 1 83 ? -12.899 -13.050 35.445 1.00 60.71 ? 83 PHE B CD2 1 ATOM 5616 C CE1 . PHE B 1 83 ? -13.313 -15.654 36.314 1.00 62.28 ? 83 PHE B CE1 1 ATOM 5617 C CE2 . PHE B 1 83 ? -11.871 -13.748 36.068 1.00 60.97 ? 83 PHE B CE2 1 ATOM 5618 C CZ . PHE B 1 83 ? -12.078 -15.049 36.503 1.00 61.99 ? 83 PHE B CZ 1 ATOM 5619 N N . THR B 1 84 ? -18.479 -12.736 34.515 1.00 57.33 ? 84 THR B N 1 ATOM 5620 C CA . THR B 1 84 ? -19.717 -11.993 34.265 1.00 57.68 ? 84 THR B CA 1 ATOM 5621 C C . THR B 1 84 ? -19.510 -10.476 34.301 1.00 57.29 ? 84 THR B C 1 ATOM 5622 O O . THR B 1 84 ? -20.169 -9.741 33.562 1.00 57.82 ? 84 THR B O 1 ATOM 5623 C CB . THR B 1 84 ? -20.821 -12.368 35.269 1.00 58.49 ? 84 THR B CB 1 ATOM 5624 O OG1 . THR B 1 84 ? -20.332 -12.180 36.602 1.00 58.66 ? 84 THR B OG1 1 ATOM 5625 C CG2 . THR B 1 84 ? -21.263 -13.821 35.083 1.00 59.25 ? 84 THR B CG2 1 ATOM 5626 N N . ASP B 1 85 ? -18.612 -10.023 35.177 1.00 55.24 ? 85 ASP B N 1 ATOM 5627 C CA . ASP B 1 85 ? -18.236 -8.615 35.282 1.00 54.62 ? 85 ASP B CA 1 ATOM 5628 C C . ASP B 1 85 ? -17.407 -8.207 34.050 1.00 53.49 ? 85 ASP B C 1 ATOM 5629 O O . ASP B 1 85 ? -16.264 -8.659 33.890 1.00 51.45 ? 85 ASP B O 1 ATOM 5630 C CB . ASP B 1 85 ? -17.456 -8.383 36.591 1.00 53.59 ? 85 ASP B CB 1 ATOM 5631 C CG . ASP B 1 85 ? -17.223 -6.910 36.901 1.00 52.49 ? 85 ASP B CG 1 ATOM 5632 O OD1 . ASP B 1 85 ? -17.326 -6.060 35.989 1.00 52.79 ? 85 ASP B OD1 1 ATOM 5633 O OD2 . ASP B 1 85 ? -16.920 -6.598 38.075 1.00 50.95 ? 85 ASP B OD2 1 ATOM 5634 N N . PRO B 1 86 ? -17.988 -7.366 33.166 1.00 54.15 ? 86 PRO B N 1 ATOM 5635 C CA . PRO B 1 86 ? -17.260 -6.909 31.973 1.00 53.65 ? 86 PRO B CA 1 ATOM 5636 C C . PRO B 1 86 ? -16.042 -6.049 32.328 1.00 52.23 ? 86 PRO B C 1 ATOM 5637 O O . PRO B 1 86 ? -15.037 -6.091 31.620 1.00 52.31 ? 86 PRO B O 1 ATOM 5638 C CB . PRO B 1 86 ? -18.304 -6.071 31.221 1.00 53.50 ? 86 PRO B CB 1 ATOM 5639 C CG . PRO B 1 86 ? -19.253 -5.610 32.276 1.00 54.78 ? 86 PRO B CG 1 ATOM 5640 C CD . PRO B 1 86 ? -19.323 -6.740 33.267 1.00 54.61 ? 86 PRO B CD 1 ATOM 5641 N N . GLN B 1 87 ? -16.155 -5.289 33.418 1.00 51.68 ? 87 GLN B N 1 ATOM 5642 C CA . GLN B 1 87 ? -15.112 -4.393 33.918 1.00 50.84 ? 87 GLN B CA 1 ATOM 5643 C C . GLN B 1 87 ? -13.887 -5.174 34.423 1.00 49.62 ? 87 GLN B C 1 ATOM 5644 O O . GLN B 1 87 ? -12.740 -4.760 34.219 1.00 48.01 ? 87 GLN B O 1 ATOM 5645 C CB . GLN B 1 87 ? -15.706 -3.537 35.036 1.00 53.52 ? 87 GLN B CB 1 ATOM 5646 C CG . GLN B 1 87 ? -14.986 -2.242 35.349 1.00 55.66 ? 87 GLN B CG 1 ATOM 5647 C CD . GLN B 1 87 ? -15.893 -1.249 36.055 1.00 59.20 ? 87 GLN B CD 1 ATOM 5648 O OE1 . GLN B 1 87 ? -16.959 -0.895 35.544 1.00 61.91 ? 87 GLN B OE1 1 ATOM 5649 N NE2 . GLN B 1 87 ? -15.477 -0.791 37.236 1.00 58.93 ? 87 GLN B NE2 1 ATOM 5650 N N . LEU B 1 88 ? -14.147 -6.307 35.074 1.00 50.45 ? 88 LEU B N 1 ATOM 5651 C CA . LEU B 1 88 ? -13.101 -7.196 35.571 1.00 48.81 ? 88 LEU B CA 1 ATOM 5652 C C . LEU B 1 88 ? -12.393 -7.906 34.420 1.00 48.15 ? 88 LEU B C 1 ATOM 5653 O O . LEU B 1 88 ? -11.170 -8.067 34.444 1.00 46.35 ? 88 LEU B O 1 ATOM 5654 C CB . LEU B 1 88 ? -13.681 -8.217 36.564 1.00 48.43 ? 88 LEU B CB 1 ATOM 5655 C CG . LEU B 1 88 ? -12.750 -9.324 37.082 1.00 48.27 ? 88 LEU B CG 1 ATOM 5656 C CD1 . LEU B 1 88 ? -11.670 -8.734 37.984 1.00 47.89 ? 88 LEU B CD1 1 ATOM 5657 C CD2 . LEU B 1 88 ? -13.534 -10.413 37.810 1.00 48.13 ? 88 LEU B CD2 1 ATOM 5658 N N . ARG B 1 89 ? -13.168 -8.335 33.424 1.00 48.65 ? 89 ARG B N 1 ATOM 5659 C CA . ARG B 1 89 ? -12.606 -8.942 32.219 1.00 50.53 ? 89 ARG B CA 1 ATOM 5660 C C . ARG B 1 89 ? -11.599 -8.011 31.533 1.00 48.80 ? 89 ARG B C 1 ATOM 5661 O O . ARG B 1 89 ? -10.533 -8.455 31.104 1.00 46.81 ? 89 ARG B O 1 ATOM 5662 C CB . ARG B 1 89 ? -13.708 -9.325 31.229 1.00 53.38 ? 89 ARG B CB 1 ATOM 5663 C CG . ARG B 1 89 ? -14.471 -10.593 31.574 1.00 57.01 ? 89 ARG B CG 1 ATOM 5664 C CD . ARG B 1 89 ? -15.091 -11.237 30.335 1.00 59.64 ? 89 ARG B CD 1 ATOM 5665 N NE . ARG B 1 89 ? -15.791 -10.272 29.481 1.00 60.74 ? 89 ARG B NE 1 ATOM 5666 C CZ . ARG B 1 89 ? -17.021 -9.804 29.700 1.00 62.34 ? 89 ARG B CZ 1 ATOM 5667 N NH1 . ARG B 1 89 ? -17.730 -10.202 30.754 1.00 62.92 ? 89 ARG B NH1 1 ATOM 5668 N NH2 . ARG B 1 89 ? -17.548 -8.926 28.855 1.00 62.91 ? 89 ARG B NH2 1 ATOM 5669 N N . ARG B 1 90 ? -11.946 -6.728 31.444 1.00 48.52 ? 90 ARG B N 1 ATOM 5670 C CA . ARG B 1 90 ? -11.081 -5.716 30.826 1.00 51.01 ? 90 ARG B CA 1 ATOM 5671 C C . ARG B 1 90 ? -9.767 -5.539 31.601 1.00 49.25 ? 90 ARG B C 1 ATOM 5672 O O . ARG B 1 90 ? -8.693 -5.462 30.991 1.00 49.04 ? 90 ARG B O 1 ATOM 5673 C CB . ARG B 1 90 ? -11.820 -4.373 30.684 1.00 53.42 ? 90 ARG B CB 1 ATOM 5674 C CG . ARG B 1 90 ? -12.986 -4.397 29.693 1.00 57.42 ? 90 ARG B CG 1 ATOM 5675 C CD . ARG B 1 90 ? -13.954 -3.234 29.899 1.00 59.52 ? 90 ARG B CD 1 ATOM 5676 N NE . ARG B 1 90 ? -13.398 -1.962 29.435 1.00 61.16 ? 90 ARG B NE 1 ATOM 5677 C CZ . ARG B 1 90 ? -13.724 -1.352 28.294 1.00 61.72 ? 90 ARG B CZ 1 ATOM 5678 N NH1 . ARG B 1 90 ? -14.626 -1.878 27.474 1.00 63.13 ? 90 ARG B NH1 1 ATOM 5679 N NH2 . ARG B 1 90 ? -13.150 -0.199 27.974 1.00 60.76 ? 90 ARG B NH2 1 ATOM 5680 N N . ILE B 1 91 ? -9.858 -5.496 32.936 1.00 46.35 ? 91 ILE B N 1 ATOM 5681 C CA . ILE B 1 91 ? -8.676 -5.340 33.798 1.00 43.70 ? 91 ILE B CA 1 ATOM 5682 C C . ILE B 1 91 ? -7.710 -6.525 33.677 1.00 43.03 ? 91 ILE B C 1 ATOM 5683 O O . ILE B 1 91 ? -6.513 -6.325 33.480 1.00 40.76 ? 91 ILE B O 1 ATOM 5684 C CB . ILE B 1 91 ? -9.049 -5.087 35.282 1.00 43.57 ? 91 ILE B CB 1 ATOM 5685 C CG1 . ILE B 1 91 ? -9.762 -3.733 35.440 1.00 43.03 ? 91 ILE B CG1 1 ATOM 5686 C CG2 . ILE B 1 91 ? -7.805 -5.114 36.162 1.00 42.72 ? 91 ILE B CG2 1 ATOM 5687 C CD1 . ILE B 1 91 ? -10.604 -3.604 36.694 1.00 43.98 ? 91 ILE B CD1 1 ATOM 5688 N N . ILE B 1 92 ? -8.229 -7.751 33.780 1.00 43.04 ? 92 ILE B N 1 ATOM 5689 C CA . ILE B 1 92 ? -7.377 -8.948 33.755 1.00 44.41 ? 92 ILE B CA 1 ATOM 5690 C C . ILE B 1 92 ? -6.721 -9.152 32.385 1.00 45.23 ? 92 ILE B C 1 ATOM 5691 O O . ILE B 1 92 ? -5.555 -9.568 32.300 1.00 43.15 ? 92 ILE B O 1 ATOM 5692 C CB . ILE B 1 92 ? -8.141 -10.213 34.213 1.00 45.60 ? 92 ILE B CB 1 ATOM 5693 C CG1 . ILE B 1 92 ? -8.579 -10.054 35.677 1.00 46.93 ? 92 ILE B CG1 1 ATOM 5694 C CG2 . ILE B 1 92 ? -7.291 -11.472 34.040 1.00 44.29 ? 92 ILE B CG2 1 ATOM 5695 C CD1 . ILE B 1 92 ? -9.487 -11.155 36.174 1.00 50.22 ? 92 ILE B CD1 1 ATOM 5696 N N . GLY B 1 93 ? -7.477 -8.857 31.325 1.00 46.34 ? 93 GLY B N 1 ATOM 5697 C CA . GLY B 1 93 ? -6.949 -8.841 29.957 1.00 46.83 ? 93 GLY B CA 1 ATOM 5698 C C . GLY B 1 93 ? -5.772 -7.883 29.805 1.00 47.02 ? 93 GLY B C 1 ATOM 5699 O O . GLY B 1 93 ? -4.788 -8.190 29.124 1.00 47.90 ? 93 GLY B O 1 ATOM 5700 N N . ALA B 1 94 ? -5.865 -6.722 30.449 1.00 46.88 ? 94 ALA B N 1 ATOM 5701 C CA . ALA B 1 94 ? -4.744 -5.782 30.477 1.00 46.15 ? 94 ALA B CA 1 ATOM 5702 C C . ALA B 1 94 ? -3.533 -6.413 31.175 1.00 45.28 ? 94 ALA B C 1 ATOM 5703 O O . ALA B 1 94 ? -2.442 -6.458 30.605 1.00 43.32 ? 94 ALA B O 1 ATOM 5704 C CB . ALA B 1 94 ? -5.150 -4.482 31.149 1.00 45.67 ? 94 ALA B CB 1 ATOM 5705 N N . VAL B 1 95 ? -3.754 -6.938 32.385 1.00 45.18 ? 95 VAL B N 1 ATOM 5706 C CA . VAL B 1 95 ? -2.696 -7.540 33.208 1.00 44.02 ? 95 VAL B CA 1 ATOM 5707 C C . VAL B 1 95 ? -1.954 -8.689 32.509 1.00 43.95 ? 95 VAL B C 1 ATOM 5708 O O . VAL B 1 95 ? -0.727 -8.782 32.594 1.00 41.78 ? 95 VAL B O 1 ATOM 5709 C CB . VAL B 1 95 ? -3.237 -8.032 34.574 1.00 44.45 ? 95 VAL B CB 1 ATOM 5710 C CG1 . VAL B 1 95 ? -2.109 -8.612 35.415 1.00 44.84 ? 95 VAL B CG1 1 ATOM 5711 C CG2 . VAL B 1 95 ? -3.909 -6.898 35.333 1.00 44.02 ? 95 VAL B CG2 1 ATOM 5712 N N . ARG B 1 96 ? -2.701 -9.552 31.820 1.00 44.65 ? 96 ARG B N 1 ATOM 5713 C CA . ARG B 1 96 ? -2.120 -10.692 31.106 1.00 46.55 ? 96 ARG B CA 1 ATOM 5714 C C . ARG B 1 96 ? -1.292 -10.307 29.864 1.00 46.02 ? 96 ARG B C 1 ATOM 5715 O O . ARG B 1 96 ? -0.579 -11.148 29.315 1.00 45.94 ? 96 ARG B O 1 ATOM 5716 C CB . ARG B 1 96 ? -3.202 -11.719 30.734 1.00 49.89 ? 96 ARG B CB 1 ATOM 5717 C CG . ARG B 1 96 ? -4.126 -11.270 29.611 1.00 53.96 ? 96 ARG B CG 1 ATOM 5718 C CD . ARG B 1 96 ? -4.739 -12.431 28.834 1.00 58.91 ? 96 ARG B CD 1 ATOM 5719 N NE . ARG B 1 96 ? -3.758 -13.244 28.107 1.00 60.74 ? 96 ARG B NE 1 ATOM 5720 C CZ . ARG B 1 96 ? -3.176 -12.905 26.955 1.00 61.94 ? 96 ARG B CZ 1 ATOM 5721 N NH1 . ARG B 1 96 ? -3.447 -11.743 26.369 1.00 64.65 ? 96 ARG B NH1 1 ATOM 5722 N NH2 . ARG B 1 96 ? -2.307 -13.734 26.387 1.00 59.91 ? 96 ARG B NH2 1 ATOM 5723 N N . THR B 1 97 ? -1.409 -9.055 29.420 1.00 44.41 ? 97 THR B N 1 ATOM 5724 C CA . THR B 1 97 ? -0.577 -8.517 28.335 1.00 43.66 ? 97 THR B CA 1 ATOM 5725 C C . THR B 1 97 ? 0.670 -7.852 28.931 1.00 40.79 ? 97 THR B C 1 ATOM 5726 O O . THR B 1 97 ? 0.580 -6.798 29.559 1.00 39.21 ? 97 THR B O 1 ATOM 5727 C CB . THR B 1 97 ? -1.356 -7.498 27.475 1.00 44.27 ? 97 THR B CB 1 ATOM 5728 O OG1 . THR B 1 97 ? -2.447 -8.163 26.826 1.00 47.77 ? 97 THR B OG1 1 ATOM 5729 C CG2 . THR B 1 97 ? -0.451 -6.866 26.410 1.00 44.71 ? 97 THR B CG2 1 ATOM 5730 N N . LEU B 1 98 ? 1.822 -8.488 28.738 1.00 38.25 ? 98 LEU B N 1 ATOM 5731 C CA . LEU B 1 98 ? 3.064 -8.058 29.377 1.00 37.52 ? 98 LEU B CA 1 ATOM 5732 C C . LEU B 1 98 ? 3.845 -7.014 28.591 1.00 36.82 ? 98 LEU B C 1 ATOM 5733 O O . LEU B 1 98 ? 4.625 -6.253 29.175 1.00 36.88 ? 98 LEU B O 1 ATOM 5734 C CB . LEU B 1 98 ? 3.962 -9.263 29.660 1.00 37.84 ? 98 LEU B CB 1 ATOM 5735 C CG . LEU B 1 98 ? 3.676 -10.058 30.940 1.00 38.87 ? 98 LEU B CG 1 ATOM 5736 C CD1 . LEU B 1 98 ? 2.405 -10.896 30.826 1.00 39.34 ? 98 LEU B CD1 1 ATOM 5737 C CD2 . LEU B 1 98 ? 4.874 -10.937 31.265 1.00 38.50 ? 98 LEU B CD2 1 ATOM 5738 N N . GLY B 1 99 ? 3.649 -6.982 27.270 1.00 36.14 ? 99 GLY B N 1 ATOM 5739 C CA . GLY B 1 99 ? 4.370 -6.034 26.414 1.00 35.03 ? 99 GLY B CA 1 ATOM 5740 C C . GLY B 1 99 ? 5.872 -6.217 26.530 1.00 33.50 ? 99 GLY B C 1 ATOM 5741 O O . GLY B 1 99 ? 6.365 -7.344 26.479 1.00 34.04 ? 99 GLY B O 1 ATOM 5742 N N . SER B 1 100 ? 6.594 -5.115 26.717 1.00 32.23 ? 100 SER B N 1 ATOM 5743 C CA . SER B 1 100 ? 8.057 -5.150 26.820 1.00 32.31 ? 100 SER B CA 1 ATOM 5744 C C . SER B 1 100 ? 8.563 -5.964 28.021 1.00 33.73 ? 100 SER B C 1 ATOM 5745 O O . SER B 1 100 ? 9.761 -6.241 28.133 1.00 35.21 ? 100 SER B O 1 ATOM 5746 C CB . SER B 1 100 ? 8.634 -3.725 26.841 1.00 32.29 ? 100 SER B CB 1 ATOM 5747 O OG . SER B 1 100 ? 8.400 -3.082 28.086 1.00 32.05 ? 100 SER B OG 1 ATOM 5748 N N . ALA B 1 101 ? 7.655 -6.339 28.922 1.00 34.04 ? 101 ALA B N 1 ATOM 5749 C CA . ALA B 1 101 ? 8.003 -7.237 30.022 1.00 35.06 ? 101 ALA B CA 1 ATOM 5750 C C . ALA B 1 101 ? 8.212 -8.683 29.538 1.00 35.34 ? 101 ALA B C 1 ATOM 5751 O O . ALA B 1 101 ? 8.867 -9.476 30.219 1.00 36.03 ? 101 ALA B O 1 ATOM 5752 C CB . ALA B 1 101 ? 6.961 -7.168 31.133 1.00 34.96 ? 101 ALA B CB 1 ATOM 5753 N N . ASN B 1 102 ? 7.673 -9.015 28.364 1.00 34.52 ? 102 ASN B N 1 ATOM 5754 C CA . ASN B 1 102 ? 7.939 -10.313 27.736 1.00 35.27 ? 102 ASN B CA 1 ATOM 5755 C C . ASN B 1 102 ? 9.405 -10.472 27.320 1.00 35.35 ? 102 ASN B C 1 ATOM 5756 O O . ASN B 1 102 ? 9.864 -11.593 27.097 1.00 35.75 ? 102 ASN B O 1 ATOM 5757 C CB . ASN B 1 102 ? 7.026 -10.549 26.524 1.00 34.82 ? 102 ASN B CB 1 ATOM 5758 C CG . ASN B 1 102 ? 5.600 -10.903 26.919 1.00 35.86 ? 102 ASN B CG 1 ATOM 5759 O OD1 . ASN B 1 102 ? 5.365 -11.795 27.739 1.00 36.30 ? 102 ASN B OD1 1 ATOM 5760 N ND2 . ASN B 1 102 ? 4.640 -10.208 26.327 1.00 34.17 ? 102 ASN B ND2 1 ATOM 5761 N N . LEU B 1 103 ? 10.128 -9.354 27.217 1.00 34.46 ? 103 LEU B N 1 ATOM 5762 C CA . LEU B 1 103 ? 11.549 -9.365 26.827 1.00 35.05 ? 103 LEU B CA 1 ATOM 5763 C C . LEU B 1 103 ? 12.459 -9.847 27.951 1.00 35.71 ? 103 LEU B C 1 ATOM 5764 O O . LEU B 1 103 ? 12.211 -9.534 29.116 1.00 36.28 ? 103 LEU B O 1 ATOM 5765 C CB . LEU B 1 103 ? 12.016 -7.969 26.395 1.00 34.32 ? 103 LEU B CB 1 ATOM 5766 C CG . LEU B 1 103 ? 11.475 -7.340 25.104 1.00 34.22 ? 103 LEU B CG 1 ATOM 5767 C CD1 . LEU B 1 103 ? 11.961 -5.902 24.963 1.00 33.64 ? 103 LEU B CD1 1 ATOM 5768 C CD2 . LEU B 1 103 ? 11.867 -8.149 23.876 1.00 33.34 ? 103 LEU B CD2 1 ATOM 5769 N N . PRO B 1 104 ? 13.538 -10.581 27.604 1.00 37.09 ? 104 PRO B N 1 ATOM 5770 C CA . PRO B 1 104 ? 14.558 -10.906 28.606 1.00 38.63 ? 104 PRO B CA 1 ATOM 5771 C C . PRO B 1 104 ? 15.236 -9.624 29.081 1.00 38.57 ? 104 PRO B C 1 ATOM 5772 O O . PRO B 1 104 ? 15.140 -8.603 28.394 1.00 36.79 ? 104 PRO B O 1 ATOM 5773 C CB . PRO B 1 104 ? 15.548 -11.790 27.835 1.00 39.53 ? 104 PRO B CB 1 ATOM 5774 C CG . PRO B 1 104 ? 15.354 -11.433 26.400 1.00 39.04 ? 104 PRO B CG 1 ATOM 5775 C CD . PRO B 1 104 ? 13.893 -11.099 26.267 1.00 38.18 ? 104 PRO B CD 1 ATOM 5776 N N . LEU B 1 105 ? 15.909 -9.681 30.233 1.00 38.94 ? 105 LEU B N 1 ATOM 5777 C CA . LEU B 1 105 ? 16.472 -8.485 30.875 1.00 40.30 ? 105 LEU B CA 1 ATOM 5778 C C . LEU B 1 105 ? 17.352 -7.627 29.951 1.00 39.31 ? 105 LEU B C 1 ATOM 5779 O O . LEU B 1 105 ? 17.200 -6.403 29.913 1.00 37.01 ? 105 LEU B O 1 ATOM 5780 C CB . LEU B 1 105 ? 17.226 -8.844 32.172 1.00 43.06 ? 105 LEU B CB 1 ATOM 5781 C CG . LEU B 1 105 ? 18.143 -7.747 32.747 1.00 45.61 ? 105 LEU B CG 1 ATOM 5782 C CD1 . LEU B 1 105 ? 18.016 -7.618 34.260 1.00 46.69 ? 105 LEU B CD1 1 ATOM 5783 C CD2 . LEU B 1 105 ? 19.603 -7.935 32.331 1.00 46.80 ? 105 LEU B CD2 1 ATOM 5784 N N . ALA B 1 106 ? 18.272 -8.265 29.229 1.00 38.21 ? 106 ALA B N 1 ATOM 5785 C CA . ALA B 1 106 ? 19.221 -7.538 28.380 1.00 38.21 ? 106 ALA B CA 1 ATOM 5786 C C . ALA B 1 106 ? 18.497 -6.766 27.272 1.00 37.14 ? 106 ALA B C 1 ATOM 5787 O O . ALA B 1 106 ? 18.851 -5.629 26.956 1.00 36.95 ? 106 ALA B O 1 ATOM 5788 C CB . ALA B 1 106 ? 20.255 -8.489 27.794 1.00 38.29 ? 106 ALA B CB 1 ATOM 5789 N N . LYS B 1 107 ? 17.469 -7.387 26.698 1.00 36.43 ? 107 LYS B N 1 ATOM 5790 C CA . LYS B 1 107 ? 16.664 -6.734 25.671 1.00 34.74 ? 107 LYS B CA 1 ATOM 5791 C C . LYS B 1 107 ? 15.710 -5.686 26.260 1.00 34.64 ? 107 LYS B C 1 ATOM 5792 O O . LYS B 1 107 ? 15.366 -4.711 25.584 1.00 33.47 ? 107 LYS B O 1 ATOM 5793 C CB . LYS B 1 107 ? 15.916 -7.763 24.834 1.00 34.57 ? 107 LYS B CB 1 ATOM 5794 C CG . LYS B 1 107 ? 16.801 -8.466 23.818 1.00 35.05 ? 107 LYS B CG 1 ATOM 5795 C CD . LYS B 1 107 ? 16.050 -9.602 23.155 1.00 35.14 ? 107 LYS B CD 1 ATOM 5796 C CE . LYS B 1 107 ? 16.769 -10.103 21.914 1.00 35.61 ? 107 LYS B CE 1 ATOM 5797 N NZ . LYS B 1 107 ? 15.824 -10.922 21.101 1.00 35.98 ? 107 LYS B NZ 1 ATOM 5798 N N . ARG B 1 108 ? 15.288 -5.890 27.511 1.00 33.98 ? 108 ARG B N 1 ATOM 5799 C CA . ARG B 1 108 ? 14.558 -4.863 28.252 1.00 35.17 ? 108 ARG B CA 1 ATOM 5800 C C . ARG B 1 108 ? 15.408 -3.602 28.394 1.00 34.42 ? 108 ARG B C 1 ATOM 5801 O O . ARG B 1 108 ? 14.919 -2.494 28.182 1.00 33.99 ? 108 ARG B O 1 ATOM 5802 C CB . ARG B 1 108 ? 14.146 -5.358 29.643 1.00 35.62 ? 108 ARG B CB 1 ATOM 5803 C CG . ARG B 1 108 ? 12.959 -6.308 29.645 1.00 37.34 ? 108 ARG B CG 1 ATOM 5804 C CD . ARG B 1 108 ? 12.458 -6.522 31.061 1.00 37.56 ? 108 ARG B CD 1 ATOM 5805 N NE . ARG B 1 108 ? 11.669 -7.742 31.180 1.00 39.32 ? 108 ARG B NE 1 ATOM 5806 C CZ . ARG B 1 108 ? 11.327 -8.296 32.340 1.00 39.47 ? 108 ARG B CZ 1 ATOM 5807 N NH1 . ARG B 1 108 ? 11.695 -7.741 33.486 1.00 38.65 ? 108 ARG B NH1 1 ATOM 5808 N NH2 . ARG B 1 108 ? 10.609 -9.405 32.350 1.00 41.07 ? 108 ARG B NH2 1 ATOM 5809 N N . GLN B 1 109 ? 16.679 -3.785 28.741 1.00 35.11 ? 109 GLN B N 1 ATOM 5810 C CA . GLN B 1 109 ? 17.619 -2.666 28.869 1.00 35.82 ? 109 GLN B CA 1 ATOM 5811 C C . GLN B 1 109 ? 17.840 -1.946 27.550 1.00 34.12 ? 109 GLN B C 1 ATOM 5812 O O . GLN B 1 109 ? 17.771 -0.721 27.502 1.00 34.33 ? 109 GLN B O 1 ATOM 5813 C CB . GLN B 1 109 ? 18.954 -3.132 29.448 1.00 38.18 ? 109 GLN B CB 1 ATOM 5814 C CG . GLN B 1 109 ? 18.887 -3.472 30.929 1.00 41.39 ? 109 GLN B CG 1 ATOM 5815 C CD . GLN B 1 109 ? 20.189 -4.038 31.455 1.00 44.52 ? 109 GLN B CD 1 ATOM 5816 O OE1 . GLN B 1 109 ? 20.810 -4.893 30.821 1.00 47.63 ? 109 GLN B OE1 1 ATOM 5817 N NE2 . GLN B 1 109 ? 20.605 -3.572 32.623 1.00 45.18 ? 109 GLN B NE2 1 ATOM 5818 N N . GLN B 1 110 ? 18.096 -2.707 26.487 1.00 33.34 ? 110 GLN B N 1 ATOM 5819 C CA . GLN B 1 110 ? 18.285 -2.141 25.155 1.00 32.83 ? 110 GLN B CA 1 ATOM 5820 C C . GLN B 1 110 ? 17.060 -1.341 24.690 1.00 31.62 ? 110 GLN B C 1 ATOM 5821 O O . GLN B 1 110 ? 17.203 -0.258 24.134 1.00 31.00 ? 110 GLN B O 1 ATOM 5822 C CB . GLN B 1 110 ? 18.622 -3.247 24.147 1.00 34.65 ? 110 GLN B CB 1 ATOM 5823 C CG . GLN B 1 110 ? 19.075 -2.755 22.775 1.00 36.56 ? 110 GLN B CG 1 ATOM 5824 C CD . GLN B 1 110 ? 19.231 -3.894 21.773 1.00 38.40 ? 110 GLN B CD 1 ATOM 5825 O OE1 . GLN B 1 110 ? 19.094 -5.069 22.126 1.00 38.78 ? 110 GLN B OE1 1 ATOM 5826 N NE2 . GLN B 1 110 ? 19.517 -3.551 20.518 1.00 37.80 ? 110 GLN B NE2 1 ATOM 5827 N N . TYR B 1 111 ? 15.866 -1.886 24.926 1.00 30.39 ? 111 TYR B N 1 ATOM 5828 C CA . TYR B 1 111 ? 14.605 -1.219 24.612 1.00 29.93 ? 111 TYR B CA 1 ATOM 5829 C C . TYR B 1 111 ? 14.477 0.128 25.315 1.00 29.49 ? 111 TYR B C 1 ATOM 5830 O O . TYR B 1 111 ? 14.254 1.158 24.669 1.00 29.33 ? 111 TYR B O 1 ATOM 5831 C CB . TYR B 1 111 ? 13.446 -2.114 25.037 1.00 30.44 ? 111 TYR B CB 1 ATOM 5832 C CG . TYR B 1 111 ? 12.068 -1.595 24.714 1.00 31.28 ? 111 TYR B CG 1 ATOM 5833 C CD1 . TYR B 1 111 ? 11.480 -1.857 23.478 1.00 31.15 ? 111 TYR B CD1 1 ATOM 5834 C CD2 . TYR B 1 111 ? 11.328 -0.880 25.665 1.00 31.04 ? 111 TYR B CD2 1 ATOM 5835 C CE1 . TYR B 1 111 ? 10.201 -1.404 23.184 1.00 31.70 ? 111 TYR B CE1 1 ATOM 5836 C CE2 . TYR B 1 111 ? 10.052 -0.426 25.381 1.00 31.42 ? 111 TYR B CE2 1 ATOM 5837 C CZ . TYR B 1 111 ? 9.498 -0.688 24.139 1.00 31.96 ? 111 TYR B CZ 1 ATOM 5838 O OH . TYR B 1 111 ? 8.234 -0.243 23.850 1.00 33.54 ? 111 TYR B OH 1 ATOM 5839 N N . ASN B 1 112 ? 14.615 0.100 26.640 1.00 28.92 ? 112 ASN B N 1 ATOM 5840 C CA . ASN B 1 112 ? 14.518 1.290 27.469 1.00 28.14 ? 112 ASN B CA 1 ATOM 5841 C C . ASN B 1 112 ? 15.567 2.328 27.053 1.00 26.94 ? 112 ASN B C 1 ATOM 5842 O O . ASN B 1 112 ? 15.274 3.513 26.995 1.00 26.60 ? 112 ASN B O 1 ATOM 5843 C CB . ASN B 1 112 ? 14.652 0.943 28.963 1.00 27.60 ? 112 ASN B CB 1 ATOM 5844 C CG . ASN B 1 112 ? 13.551 0.000 29.474 1.00 29.29 ? 112 ASN B CG 1 ATOM 5845 O OD1 . ASN B 1 112 ? 12.470 -0.127 28.881 1.00 27.42 ? 112 ASN B OD1 1 ATOM 5846 N ND2 . ASN B 1 112 ? 13.826 -0.661 30.603 1.00 29.37 ? 112 ASN B ND2 1 ATOM 5847 N N . ALA B 1 113 ? 16.778 1.877 26.741 1.00 27.48 ? 113 ALA B N 1 ATOM 5848 C CA . ALA B 1 113 ? 17.845 2.785 26.274 1.00 27.89 ? 113 ALA B CA 1 ATOM 5849 C C . ALA B 1 113 ? 17.574 3.384 24.880 1.00 28.41 ? 113 ALA B C 1 ATOM 5850 O O . ALA B 1 113 ? 17.963 4.523 24.606 1.00 28.12 ? 113 ALA B O 1 ATOM 5851 C CB . ALA B 1 113 ? 19.188 2.088 26.295 1.00 28.36 ? 113 ALA B CB 1 ATOM 5852 N N . LEU B 1 114 ? 16.908 2.623 24.010 1.00 28.44 ? 114 LEU B N 1 ATOM 5853 C CA . LEU B 1 114 ? 16.522 3.140 22.696 1.00 29.44 ? 114 LEU B CA 1 ATOM 5854 C C . LEU B 1 114 ? 15.508 4.281 22.796 1.00 28.79 ? 114 LEU B C 1 ATOM 5855 O O . LEU B 1 114 ? 15.657 5.300 22.124 1.00 27.77 ? 114 LEU B O 1 ATOM 5856 C CB . LEU B 1 114 ? 16.006 2.023 21.789 1.00 29.48 ? 114 LEU B CB 1 ATOM 5857 C CG . LEU B 1 114 ? 17.105 1.110 21.233 1.00 30.38 ? 114 LEU B CG 1 ATOM 5858 C CD1 . LEU B 1 114 ? 16.481 -0.123 20.602 1.00 30.58 ? 114 LEU B CD1 1 ATOM 5859 C CD2 . LEU B 1 114 ? 18.011 1.848 20.247 1.00 30.13 ? 114 LEU B CD2 1 ATOM 5860 N N . LEU B 1 115 ? 14.493 4.115 23.648 1.00 29.26 ? 115 LEU B N 1 ATOM 5861 C CA . LEU B 1 115 ? 13.487 5.156 23.853 1.00 29.43 ? 115 LEU B CA 1 ATOM 5862 C C . LEU B 1 115 ? 14.160 6.449 24.315 1.00 30.20 ? 115 LEU B C 1 ATOM 5863 O O . LEU B 1 115 ? 13.837 7.545 23.842 1.00 30.61 ? 115 LEU B O 1 ATOM 5864 C CB . LEU B 1 115 ? 12.420 4.725 24.874 1.00 29.24 ? 115 LEU B CB 1 ATOM 5865 C CG . LEU B 1 115 ? 11.656 3.406 24.692 1.00 30.29 ? 115 LEU B CG 1 ATOM 5866 C CD1 . LEU B 1 115 ? 10.486 3.287 25.666 1.00 30.28 ? 115 LEU B CD1 1 ATOM 5867 C CD2 . LEU B 1 115 ? 11.183 3.239 23.256 1.00 30.36 ? 115 LEU B CD2 1 ATOM 5868 N N . SER B 1 116 ? 15.100 6.304 25.243 1.00 30.34 ? 116 SER B N 1 ATOM 5869 C CA . SER B 1 116 ? 15.803 7.434 25.833 1.00 29.27 ? 116 SER B CA 1 ATOM 5870 C C . SER B 1 116 ? 16.624 8.176 24.772 1.00 28.29 ? 116 SER B C 1 ATOM 5871 O O . SER B 1 116 ? 16.562 9.409 24.675 1.00 27.65 ? 116 SER B O 1 ATOM 5872 C CB . SER B 1 116 ? 16.685 6.931 26.982 1.00 30.76 ? 116 SER B CB 1 ATOM 5873 O OG . SER B 1 116 ? 17.261 7.997 27.695 1.00 32.42 ? 116 SER B OG 1 ATOM 5874 N N . GLN B 1 117 ? 17.359 7.424 23.954 1.00 27.57 ? 117 GLN B N 1 ATOM 5875 C CA A GLN B 1 117 ? 18.235 7.995 22.921 0.50 27.59 ? 117 GLN B CA 1 ATOM 5876 C CA B GLN B 1 117 ? 18.224 8.044 22.954 0.50 27.37 ? 117 GLN B CA 1 ATOM 5877 C C . GLN B 1 117 ? 17.449 8.655 21.779 1.00 26.39 ? 117 GLN B C 1 ATOM 5878 O O . GLN B 1 117 ? 17.829 9.701 21.273 1.00 25.51 ? 117 GLN B O 1 ATOM 5879 C CB A GLN B 1 117 ? 19.175 6.920 22.349 0.50 28.63 ? 117 GLN B CB 1 ATOM 5880 C CB B GLN B 1 117 ? 19.317 7.081 22.478 0.50 28.17 ? 117 GLN B CB 1 ATOM 5881 C CG A GLN B 1 117 ? 20.127 6.279 23.356 0.50 30.24 ? 117 GLN B CG 1 ATOM 5882 C CG B GLN B 1 117 ? 20.434 6.878 23.502 0.50 29.01 ? 117 GLN B CG 1 ATOM 5883 C CD A GLN B 1 117 ? 20.966 5.166 22.745 0.50 31.04 ? 117 GLN B CD 1 ATOM 5884 C CD B GLN B 1 117 ? 21.070 8.184 23.941 0.50 29.28 ? 117 GLN B CD 1 ATOM 5885 O OE1 A GLN B 1 117 ? 21.455 5.285 21.621 0.50 31.70 ? 117 GLN B OE1 1 ATOM 5886 O OE1 B GLN B 1 117 ? 21.545 8.964 23.117 0.50 29.75 ? 117 GLN B OE1 1 ATOM 5887 N NE2 A GLN B 1 117 ? 21.140 4.079 23.487 0.50 31.34 ? 117 GLN B NE2 1 ATOM 5888 N NE2 B GLN B 1 117 ? 21.091 8.425 25.247 0.50 29.35 ? 117 GLN B NE2 1 ATOM 5889 N N . MET B 1 118 ? 16.359 8.013 21.356 1.00 25.39 ? 118 MET B N 1 ATOM 5890 C CA . MET B 1 118 ? 15.508 8.578 20.289 1.00 24.47 ? 118 MET B CA 1 ATOM 5891 C C . MET B 1 118 ? 14.832 9.865 20.764 1.00 23.99 ? 118 MET B C 1 ATOM 5892 O O . MET B 1 118 ? 14.739 10.842 20.021 1.00 23.51 ? 118 MET B O 1 ATOM 5893 C CB . MET B 1 118 ? 14.452 7.576 19.817 1.00 24.30 ? 118 MET B CB 1 ATOM 5894 C CG . MET B 1 118 ? 15.010 6.373 19.064 1.00 25.24 ? 118 MET B CG 1 ATOM 5895 S SD . MET B 1 118 ? 13.736 5.405 18.218 1.00 26.22 ? 118 MET B SD 1 ATOM 5896 C CE . MET B 1 118 ? 12.792 4.761 19.595 1.00 24.33 ? 118 MET B CE 1 ATOM 5897 N N . SER B 1 119 ? 14.354 9.849 22.004 1.00 23.79 ? 119 SER B N 1 ATOM 5898 C CA . SER B 1 119 ? 13.770 11.040 22.611 1.00 25.14 ? 119 SER B CA 1 ATOM 5899 C C . SER B 1 119 ? 14.775 12.195 22.655 1.00 25.42 ? 119 SER B C 1 ATOM 5900 O O . SER B 1 119 ? 14.450 13.307 22.255 1.00 25.08 ? 119 SER B O 1 ATOM 5901 C CB . SER B 1 119 ? 13.230 10.728 24.006 1.00 25.23 ? 119 SER B CB 1 ATOM 5902 O OG . SER B 1 119 ? 12.958 11.918 24.720 1.00 28.61 ? 119 SER B OG 1 ATOM 5903 N N . ARG B 1 120 ? 15.999 11.920 23.111 1.00 26.82 ? 120 ARG B N 1 ATOM 5904 C CA . ARG B 1 120 ? 17.054 12.937 23.162 1.00 26.95 ? 120 ARG B CA 1 ATOM 5905 C C . ARG B 1 120 ? 17.391 13.530 21.786 1.00 26.59 ? 120 ARG B C 1 ATOM 5906 O O . ARG B 1 120 ? 17.504 14.754 21.640 1.00 24.82 ? 120 ARG B O 1 ATOM 5907 C CB . ARG B 1 120 ? 18.324 12.384 23.834 1.00 29.94 ? 120 ARG B CB 1 ATOM 5908 C CG . ARG B 1 120 ? 19.390 13.445 24.117 1.00 33.56 ? 120 ARG B CG 1 ATOM 5909 C CD . ARG B 1 120 ? 20.778 12.852 24.369 1.00 36.59 ? 120 ARG B CD 1 ATOM 5910 N NE . ARG B 1 120 ? 21.158 11.874 23.342 1.00 39.21 ? 120 ARG B NE 1 ATOM 5911 C CZ . ARG B 1 120 ? 21.681 12.170 22.151 1.00 41.07 ? 120 ARG B CZ 1 ATOM 5912 N NH1 . ARG B 1 120 ? 21.918 13.429 21.800 1.00 43.10 ? 120 ARG B NH1 1 ATOM 5913 N NH2 . ARG B 1 120 ? 21.972 11.194 21.300 1.00 42.36 ? 120 ARG B NH2 1 ATOM 5914 N N . ILE B 1 121 ? 17.546 12.669 20.782 1.00 26.38 ? 121 ILE B N 1 ATOM 5915 C CA . ILE B 1 121 ? 17.891 13.129 19.428 1.00 26.65 ? 121 ILE B CA 1 ATOM 5916 C C . ILE B 1 121 ? 16.829 14.088 18.875 1.00 25.28 ? 121 ILE B C 1 ATOM 5917 O O . ILE B 1 121 ? 17.160 15.165 18.377 1.00 25.29 ? 121 ILE B O 1 ATOM 5918 C CB . ILE B 1 121 ? 18.154 11.956 18.448 1.00 27.49 ? 121 ILE B CB 1 ATOM 5919 C CG1 . ILE B 1 121 ? 19.474 11.255 18.804 1.00 28.58 ? 121 ILE B CG1 1 ATOM 5920 C CG2 . ILE B 1 121 ? 18.225 12.460 17.011 1.00 27.56 ? 121 ILE B CG2 1 ATOM 5921 C CD1 . ILE B 1 121 ? 19.575 9.827 18.307 1.00 29.46 ? 121 ILE B CD1 1 ATOM 5922 N N . TYR B 1 122 ? 15.558 13.707 18.978 1.00 24.18 ? 122 TYR B N 1 ATOM 5923 C CA . TYR B 1 122 ? 14.486 14.571 18.481 1.00 22.55 ? 122 TYR B CA 1 ATOM 5924 C C . TYR B 1 122 ? 14.467 15.940 19.177 1.00 22.52 ? 122 TYR B C 1 ATOM 5925 O O . TYR B 1 122 ? 14.427 16.978 18.516 1.00 22.49 ? 122 TYR B O 1 ATOM 5926 C CB . TYR B 1 122 ? 13.117 13.898 18.609 1.00 21.50 ? 122 TYR B CB 1 ATOM 5927 C CG . TYR B 1 122 ? 12.004 14.749 18.040 1.00 20.65 ? 122 TYR B CG 1 ATOM 5928 C CD1 . TYR B 1 122 ? 11.673 14.672 16.688 1.00 20.60 ? 122 TYR B CD1 1 ATOM 5929 C CD2 . TYR B 1 122 ? 11.309 15.659 18.847 1.00 20.43 ? 122 TYR B CD2 1 ATOM 5930 C CE1 . TYR B 1 122 ? 10.670 15.467 16.150 1.00 20.02 ? 122 TYR B CE1 1 ATOM 5931 C CE2 . TYR B 1 122 ? 10.305 16.465 18.325 1.00 20.42 ? 122 TYR B CE2 1 ATOM 5932 C CZ . TYR B 1 122 ? 9.987 16.364 16.972 1.00 20.28 ? 122 TYR B CZ 1 ATOM 5933 O OH . TYR B 1 122 ? 8.991 17.149 16.432 1.00 19.46 ? 122 TYR B OH 1 ATOM 5934 N N . SER B 1 123 ? 14.490 15.919 20.507 1.00 22.60 ? 123 SER B N 1 ATOM 5935 C CA . SER B 1 123 ? 14.235 17.109 21.317 1.00 23.37 ? 123 SER B CA 1 ATOM 5936 C C . SER B 1 123 ? 15.455 17.995 21.500 1.00 24.33 ? 123 SER B C 1 ATOM 5937 O O . SER B 1 123 ? 15.332 19.114 21.993 1.00 24.71 ? 123 SER B O 1 ATOM 5938 C CB . SER B 1 123 ? 13.662 16.716 22.688 1.00 23.31 ? 123 SER B CB 1 ATOM 5939 O OG . SER B 1 123 ? 12.276 16.425 22.588 1.00 23.79 ? 123 SER B OG 1 ATOM 5940 N N . THR B 1 124 ? 16.624 17.505 21.100 1.00 25.27 ? 124 THR B N 1 ATOM 5941 C CA . THR B 1 124 ? 17.844 18.306 21.191 1.00 26.65 ? 124 THR B CA 1 ATOM 5942 C C . THR B 1 124 ? 18.404 18.696 19.820 1.00 27.45 ? 124 THR B C 1 ATOM 5943 O O . THR B 1 124 ? 19.359 19.455 19.757 1.00 27.60 ? 124 THR B O 1 ATOM 5944 C CB . THR B 1 124 ? 18.965 17.609 22.004 1.00 27.09 ? 124 THR B CB 1 ATOM 5945 O OG1 . THR B 1 124 ? 19.387 16.416 21.331 1.00 27.16 ? 124 THR B OG1 1 ATOM 5946 C CG2 . THR B 1 124 ? 18.500 17.273 23.423 1.00 27.38 ? 124 THR B CG2 1 ATOM 5947 N N . ALA B 1 125 ? 17.806 18.192 18.734 1.00 27.12 ? 125 ALA B N 1 ATOM 5948 C CA . ALA B 1 125 ? 18.307 18.475 17.390 1.00 27.40 ? 125 ALA B CA 1 ATOM 5949 C C . ALA B 1 125 ? 18.228 19.964 17.069 1.00 27.97 ? 125 ALA B C 1 ATOM 5950 O O . ALA B 1 125 ? 17.307 20.650 17.494 1.00 27.25 ? 125 ALA B O 1 ATOM 5951 C CB . ALA B 1 125 ? 17.571 17.652 16.338 1.00 27.36 ? 125 ALA B CB 1 ATOM 5952 N N . LYS B 1 126 ? 19.202 20.463 16.320 1.00 28.87 ? 126 LYS B N 1 ATOM 5953 C CA . LYS B 1 126 ? 19.234 21.884 15.986 1.00 30.61 ? 126 LYS B CA 1 ATOM 5954 C C . LYS B 1 126 ? 19.584 22.094 14.531 1.00 30.51 ? 126 LYS B C 1 ATOM 5955 O O . LYS B 1 126 ? 20.162 21.212 13.896 1.00 29.95 ? 126 LYS B O 1 ATOM 5956 C CB . LYS B 1 126 ? 20.223 22.624 16.895 1.00 33.36 ? 126 LYS B CB 1 ATOM 5957 C CG . LYS B 1 126 ? 19.620 22.999 18.237 1.00 36.80 ? 126 LYS B CG 1 ATOM 5958 C CD . LYS B 1 126 ? 20.663 23.034 19.343 1.00 38.95 ? 126 LYS B CD 1 ATOM 5959 C CE . LYS B 1 126 ? 20.004 23.333 20.685 1.00 40.35 ? 126 LYS B CE 1 ATOM 5960 N NZ . LYS B 1 126 ? 18.857 22.433 21.001 1.00 38.64 ? 126 LYS B NZ 1 ATOM 5961 N N . VAL B 1 127 ? 19.195 23.246 13.995 1.00 30.55 ? 127 VAL B N 1 ATOM 5962 C CA . VAL B 1 127 ? 19.601 23.644 12.654 1.00 32.63 ? 127 VAL B CA 1 ATOM 5963 C C . VAL B 1 127 ? 20.555 24.825 12.784 1.00 35.74 ? 127 VAL B C 1 ATOM 5964 O O . VAL B 1 127 ? 20.220 25.835 13.398 1.00 35.88 ? 127 VAL B O 1 ATOM 5965 C CB . VAL B 1 127 ? 18.398 24.016 11.767 1.00 31.55 ? 127 VAL B CB 1 ATOM 5966 C CG1 . VAL B 1 127 ? 18.858 24.421 10.369 1.00 31.43 ? 127 VAL B CG1 1 ATOM 5967 C CG2 . VAL B 1 127 ? 17.433 22.848 11.689 1.00 29.71 ? 127 VAL B CG2 1 ATOM 5968 N N . CYS B 1 128 ? 21.749 24.690 12.220 1.00 41.09 ? 128 CYS B N 1 ATOM 5969 C CA . CYS B 1 128 ? 22.750 25.752 12.325 1.00 46.85 ? 128 CYS B CA 1 ATOM 5970 C C . CYS B 1 128 ? 22.934 26.467 10.988 1.00 50.75 ? 128 CYS B C 1 ATOM 5971 O O . CYS B 1 128 ? 22.821 25.848 9.927 1.00 48.34 ? 128 CYS B O 1 ATOM 5972 C CB . CYS B 1 128 ? 24.070 25.195 12.853 1.00 49.31 ? 128 CYS B CB 1 ATOM 5973 S SG . CYS B 1 128 ? 23.919 24.340 14.442 1.00 52.83 ? 128 CYS B SG 1 ATOM 5974 N N . LEU B 1 129 ? 23.225 27.768 11.046 1.00 57.61 ? 129 LEU B N 1 ATOM 5975 C CA . LEU B 1 129 ? 23.206 28.623 9.845 1.00 61.96 ? 129 LEU B CA 1 ATOM 5976 C C . LEU B 1 129 ? 24.395 28.440 8.894 1.00 65.17 ? 129 LEU B C 1 ATOM 5977 O O . LEU B 1 129 ? 24.373 28.948 7.767 1.00 65.79 ? 129 LEU B O 1 ATOM 5978 C CB . LEU B 1 129 ? 22.963 30.101 10.198 1.00 62.65 ? 129 LEU B CB 1 ATOM 5979 C CG . LEU B 1 129 ? 21.496 30.461 10.498 1.00 62.06 ? 129 LEU B CG 1 ATOM 5980 C CD1 . LEU B 1 129 ? 21.213 30.421 11.994 1.00 61.71 ? 129 LEU B CD1 1 ATOM 5981 C CD2 . LEU B 1 129 ? 21.121 31.823 9.923 1.00 62.13 ? 129 LEU B CD2 1 ATOM 5982 N N . PRO B 1 130 ? 25.417 27.714 9.340 1.00 69.05 ? 130 PRO B N 1 ATOM 5983 C CA . PRO B 1 130 ? 26.531 27.325 8.465 1.00 74.09 ? 130 PRO B CA 1 ATOM 5984 C C . PRO B 1 130 ? 27.110 25.962 8.855 1.00 74.92 ? 130 PRO B C 1 ATOM 5985 O O . PRO B 1 130 ? 26.729 25.378 9.873 1.00 73.61 ? 130 PRO B O 1 ATOM 5986 C CB . PRO B 1 130 ? 27.621 28.395 8.452 1.00 75.58 ? 130 PRO B CB 1 ATOM 5987 N N . THR B 1 133 ? 28.569 30.322 11.063 1.00 81.41 ? 133 THR B N 1 ATOM 5988 C CA . THR B 1 133 ? 27.841 29.646 12.133 1.00 82.05 ? 133 THR B CA 1 ATOM 5989 C C . THR B 1 133 ? 27.648 30.568 13.335 1.00 80.63 ? 133 THR B C 1 ATOM 5990 O O . THR B 1 133 ? 28.586 30.821 14.093 1.00 82.16 ? 133 THR B O 1 ATOM 5991 C CB . THR B 1 133 ? 28.555 28.350 12.590 1.00 82.65 ? 133 THR B CB 1 ATOM 5992 O OG1 . THR B 1 133 ? 28.944 27.578 11.446 1.00 82.67 ? 133 THR B OG1 1 ATOM 5993 C CG2 . THR B 1 133 ? 27.644 27.509 13.494 1.00 79.87 ? 133 THR B CG2 1 ATOM 5994 N N . ALA B 1 134 ? 26.427 31.072 13.488 1.00 78.20 ? 134 ALA B N 1 ATOM 5995 C CA . ALA B 1 134 ? 26.033 31.828 14.673 1.00 76.00 ? 134 ALA B CA 1 ATOM 5996 C C . ALA B 1 134 ? 25.268 30.903 15.630 1.00 72.62 ? 134 ALA B C 1 ATOM 5997 O O . ALA B 1 134 ? 25.677 29.756 15.838 1.00 70.60 ? 134 ALA B O 1 ATOM 5998 C CB . ALA B 1 134 ? 25.195 33.037 14.275 1.00 76.95 ? 134 ALA B CB 1 ATOM 5999 N N . THR B 1 135 ? 24.173 31.399 16.210 1.00 70.63 ? 135 THR B N 1 ATOM 6000 C CA . THR B 1 135 ? 23.320 30.595 17.094 1.00 68.12 ? 135 THR B CA 1 ATOM 6001 C C . THR B 1 135 ? 22.573 29.544 16.270 1.00 63.72 ? 135 THR B C 1 ATOM 6002 O O . THR B 1 135 ? 22.240 29.782 15.105 1.00 66.49 ? 135 THR B O 1 ATOM 6003 C CB . THR B 1 135 ? 22.291 31.457 17.861 1.00 68.36 ? 135 THR B CB 1 ATOM 6004 O OG1 . THR B 1 135 ? 22.865 32.728 18.185 1.00 72.92 ? 135 THR B OG1 1 ATOM 6005 C CG2 . THR B 1 135 ? 21.847 30.763 19.151 1.00 67.54 ? 135 THR B CG2 1 ATOM 6006 N N . CYS B 1 136 ? 22.327 28.384 16.871 1.00 55.75 ? 136 CYS B N 1 ATOM 6007 C CA . CYS B 1 136 ? 21.605 27.321 16.186 1.00 50.08 ? 136 CYS B CA 1 ATOM 6008 C C . CYS B 1 136 ? 20.116 27.372 16.533 1.00 44.71 ? 136 CYS B C 1 ATOM 6009 O O . CYS B 1 136 ? 19.736 27.675 17.668 1.00 42.92 ? 136 CYS B O 1 ATOM 6010 C CB . CYS B 1 136 ? 22.239 25.951 16.472 1.00 51.14 ? 136 CYS B CB 1 ATOM 6011 S SG . CYS B 1 136 ? 23.952 25.824 15.867 1.00 56.28 ? 136 CYS B SG 1 ATOM 6012 N N . TRP B 1 137 ? 19.285 27.105 15.531 1.00 39.85 ? 137 TRP B N 1 ATOM 6013 C CA . TRP B 1 137 ? 17.837 27.164 15.674 1.00 36.06 ? 137 TRP B CA 1 ATOM 6014 C C . TRP B 1 137 ? 17.260 25.863 16.204 1.00 33.15 ? 137 TRP B C 1 ATOM 6015 O O . TRP B 1 137 ? 17.591 24.783 15.727 1.00 31.59 ? 137 TRP B O 1 ATOM 6016 C CB . TRP B 1 137 ? 17.177 27.500 14.336 1.00 35.68 ? 137 TRP B CB 1 ATOM 6017 C CG . TRP B 1 137 ? 17.356 28.911 13.906 1.00 37.97 ? 137 TRP B CG 1 ATOM 6018 C CD1 . TRP B 1 137 ? 17.560 30.001 14.712 1.00 39.12 ? 137 TRP B CD1 1 ATOM 6019 C CD2 . TRP B 1 137 ? 17.308 29.406 12.566 1.00 38.69 ? 137 TRP B CD2 1 ATOM 6020 N NE1 . TRP B 1 137 ? 17.661 31.141 13.950 1.00 40.64 ? 137 TRP B NE1 1 ATOM 6021 C CE2 . TRP B 1 137 ? 17.506 30.804 12.629 1.00 40.48 ? 137 TRP B CE2 1 ATOM 6022 C CE3 . TRP B 1 137 ? 17.124 28.805 11.315 1.00 39.10 ? 137 TRP B CE3 1 ATOM 6023 C CZ2 . TRP B 1 137 ? 17.530 31.610 11.486 1.00 41.50 ? 137 TRP B CZ2 1 ATOM 6024 C CZ3 . TRP B 1 137 ? 17.148 29.605 10.179 1.00 40.58 ? 137 TRP B CZ3 1 ATOM 6025 C CH2 . TRP B 1 137 ? 17.351 30.994 10.275 1.00 41.52 ? 137 TRP B CH2 1 ATOM 6026 N N . SER B 1 138 ? 16.385 25.978 17.192 1.00 30.53 ? 138 SER B N 1 ATOM 6027 C CA . SER B 1 138 ? 15.698 24.820 17.721 1.00 28.26 ? 138 SER B CA 1 ATOM 6028 C C . SER B 1 138 ? 14.311 24.740 17.078 1.00 26.13 ? 138 SER B C 1 ATOM 6029 O O . SER B 1 138 ? 13.825 25.717 16.509 1.00 24.91 ? 138 SER B O 1 ATOM 6030 C CB . SER B 1 138 ? 15.604 24.911 19.244 1.00 29.16 ? 138 SER B CB 1 ATOM 6031 O OG . SER B 1 138 ? 14.961 26.115 19.617 1.00 31.99 ? 138 SER B OG 1 ATOM 6032 N N . LEU B 1 139 ? 13.680 23.571 17.149 1.00 25.19 ? 139 LEU B N 1 ATOM 6033 C CA . LEU B 1 139 ? 12.361 23.404 16.548 1.00 22.95 ? 139 LEU B CA 1 ATOM 6034 C C . LEU B 1 139 ? 11.351 24.408 17.122 1.00 23.00 ? 139 LEU B C 1 ATOM 6035 O O . LEU B 1 139 ? 10.621 25.082 16.393 1.00 22.24 ? 139 LEU B O 1 ATOM 6036 C CB . LEU B 1 139 ? 11.864 21.962 16.734 1.00 23.15 ? 139 LEU B CB 1 ATOM 6037 C CG . LEU B 1 139 ? 10.493 21.637 16.141 1.00 22.04 ? 139 LEU B CG 1 ATOM 6038 C CD1 . LEU B 1 139 ? 10.483 21.909 14.643 1.00 22.09 ? 139 LEU B CD1 1 ATOM 6039 C CD2 . LEU B 1 139 ? 10.102 20.191 16.429 1.00 21.71 ? 139 LEU B CD2 1 ATOM 6040 N N . ASP B 1 140 ? 11.334 24.501 18.442 1.00 23.38 ? 140 ASP B N 1 ATOM 6041 C CA . ASP B 1 140 ? 10.386 25.326 19.157 1.00 24.10 ? 140 ASP B CA 1 ATOM 6042 C C . ASP B 1 140 ? 11.245 26.215 20.052 1.00 24.06 ? 140 ASP B C 1 ATOM 6043 O O . ASP B 1 140 ? 11.897 25.707 20.960 1.00 24.19 ? 140 ASP B O 1 ATOM 6044 C CB . ASP B 1 140 ? 9.475 24.386 19.973 1.00 25.45 ? 140 ASP B CB 1 ATOM 6045 C CG . ASP B 1 140 ? 8.383 25.115 20.767 1.00 27.88 ? 140 ASP B CG 1 ATOM 6046 O OD1 . ASP B 1 140 ? 8.249 26.351 20.690 1.00 29.17 ? 140 ASP B OD1 1 ATOM 6047 O OD2 . ASP B 1 140 ? 7.624 24.415 21.481 1.00 30.11 ? 140 ASP B OD2 1 ATOM 6048 N N . PRO B 1 141 ? 11.237 27.549 19.825 1.00 23.99 ? 141 PRO B N 1 ATOM 6049 C CA . PRO B 1 141 ? 10.333 28.327 18.974 1.00 23.47 ? 141 PRO B CA 1 ATOM 6050 C C . PRO B 1 141 ? 10.797 28.606 17.539 1.00 23.67 ? 141 PRO B C 1 ATOM 6051 O O . PRO B 1 141 ? 9.974 28.957 16.695 1.00 22.71 ? 141 PRO B O 1 ATOM 6052 C CB . PRO B 1 141 ? 10.239 29.654 19.730 1.00 23.49 ? 141 PRO B CB 1 ATOM 6053 C CG . PRO B 1 141 ? 11.616 29.827 20.323 1.00 24.51 ? 141 PRO B CG 1 ATOM 6054 C CD . PRO B 1 141 ? 12.120 28.430 20.623 1.00 24.04 ? 141 PRO B CD 1 ATOM 6055 N N . ASP B 1 142 ? 12.095 28.467 17.275 1.00 23.90 ? 142 ASP B N 1 ATOM 6056 C CA . ASP B 1 142 ? 12.722 29.077 16.095 1.00 24.07 ? 142 ASP B CA 1 ATOM 6057 C C . ASP B 1 142 ? 12.178 28.595 14.758 1.00 24.08 ? 142 ASP B C 1 ATOM 6058 O O . ASP B 1 142 ? 11.675 29.397 13.967 1.00 24.15 ? 142 ASP B O 1 ATOM 6059 C CB . ASP B 1 142 ? 14.235 28.882 16.136 1.00 25.33 ? 142 ASP B CB 1 ATOM 6060 C CG . ASP B 1 142 ? 14.848 29.355 17.430 1.00 26.41 ? 142 ASP B CG 1 ATOM 6061 O OD1 . ASP B 1 142 ? 14.435 30.411 17.934 1.00 26.73 ? 142 ASP B OD1 1 ATOM 6062 O OD2 . ASP B 1 142 ? 15.750 28.663 17.946 1.00 28.27 ? 142 ASP B OD2 1 ATOM 6063 N N . LEU B 1 143 ? 12.283 27.287 14.506 1.00 23.18 ? 143 LEU B N 1 ATOM 6064 C CA . LEU B 1 143 ? 11.829 26.714 13.241 1.00 23.16 ? 143 LEU B CA 1 ATOM 6065 C C . LEU B 1 143 ? 10.304 26.741 13.123 1.00 22.63 ? 143 LEU B C 1 ATOM 6066 O O . LEU B 1 143 ? 9.776 26.961 12.034 1.00 22.71 ? 143 LEU B O 1 ATOM 6067 C CB . LEU B 1 143 ? 12.387 25.302 13.041 1.00 23.16 ? 143 LEU B CB 1 ATOM 6068 C CG . LEU B 1 143 ? 13.917 25.166 13.119 1.00 23.80 ? 143 LEU B CG 1 ATOM 6069 C CD1 . LEU B 1 143 ? 14.320 23.717 13.349 1.00 23.86 ? 143 LEU B CD1 1 ATOM 6070 C CD2 . LEU B 1 143 ? 14.575 25.705 11.859 1.00 24.61 ? 143 LEU B CD2 1 ATOM 6071 N N . THR B 1 144 ? 9.607 26.543 14.243 1.00 21.55 ? 144 THR B N 1 ATOM 6072 C CA . THR B 1 144 ? 8.150 26.689 14.275 1.00 21.57 ? 144 THR B CA 1 ATOM 6073 C C . THR B 1 144 ? 7.697 28.079 13.800 1.00 22.55 ? 144 THR B C 1 ATOM 6074 O O . THR B 1 144 ? 6.776 28.193 12.982 1.00 23.03 ? 144 THR B O 1 ATOM 6075 C CB . THR B 1 144 ? 7.592 26.412 15.689 1.00 20.72 ? 144 THR B CB 1 ATOM 6076 O OG1 . THR B 1 144 ? 7.931 25.073 16.072 1.00 19.81 ? 144 THR B OG1 1 ATOM 6077 C CG2 . THR B 1 144 ? 6.075 26.572 15.718 1.00 20.93 ? 144 THR B CG2 1 ATOM 6078 N N . ASN B 1 145 ? 8.341 29.119 14.326 1.00 23.05 ? 145 ASN B N 1 ATOM 6079 C CA . ASN B 1 145 ? 8.041 30.505 13.953 1.00 24.81 ? 145 ASN B CA 1 ATOM 6080 C C . ASN B 1 145 ? 8.383 30.791 12.494 1.00 24.66 ? 145 ASN B C 1 ATOM 6081 O O . ASN B 1 145 ? 7.645 31.491 11.804 1.00 24.68 ? 145 ASN B O 1 ATOM 6082 C CB . ASN B 1 145 ? 8.798 31.500 14.857 1.00 25.93 ? 145 ASN B CB 1 ATOM 6083 C CG . ASN B 1 145 ? 8.169 31.653 16.246 1.00 27.18 ? 145 ASN B CG 1 ATOM 6084 O OD1 . ASN B 1 145 ? 7.017 31.312 16.462 1.00 28.23 ? 145 ASN B OD1 1 ATOM 6085 N ND2 . ASN B 1 145 ? 8.943 32.169 17.194 1.00 27.59 ? 145 ASN B ND2 1 ATOM 6086 N N . ILE B 1 146 ? 9.513 30.260 12.034 1.00 24.78 ? 146 ILE B N 1 ATOM 6087 C CA . ILE B 1 146 ? 9.910 30.436 10.638 1.00 25.69 ? 146 ILE B CA 1 ATOM 6088 C C . ILE B 1 146 ? 8.871 29.811 9.708 1.00 24.81 ? 146 ILE B C 1 ATOM 6089 O O . ILE B 1 146 ? 8.418 30.452 8.769 1.00 24.65 ? 146 ILE B O 1 ATOM 6090 C CB . ILE B 1 146 ? 11.324 29.883 10.346 1.00 26.09 ? 146 ILE B CB 1 ATOM 6091 C CG1 . ILE B 1 146 ? 12.374 30.736 11.053 1.00 27.13 ? 146 ILE B CG1 1 ATOM 6092 C CG2 . ILE B 1 146 ? 11.603 29.878 8.847 1.00 26.97 ? 146 ILE B CG2 1 ATOM 6093 C CD1 . ILE B 1 146 ? 13.780 30.198 10.908 1.00 28.23 ? 146 ILE B CD1 1 ATOM 6094 N N . LEU B 1 147 ? 8.477 28.572 9.987 1.00 24.53 ? 147 LEU B N 1 ATOM 6095 C CA . LEU B 1 147 ? 7.492 27.889 9.140 1.00 24.22 ? 147 LEU B CA 1 ATOM 6096 C C . LEU B 1 147 ? 6.109 28.554 9.175 1.00 24.23 ? 147 LEU B C 1 ATOM 6097 O O . LEU B 1 147 ? 5.373 28.510 8.182 1.00 23.89 ? 147 LEU B O 1 ATOM 6098 C CB . LEU B 1 147 ? 7.419 26.386 9.465 1.00 24.29 ? 147 LEU B CB 1 ATOM 6099 C CG . LEU B 1 147 ? 8.414 25.654 8.549 1.00 26.02 ? 147 LEU B CG 1 ATOM 6100 C CD1 . LEU B 1 147 ? 9.843 25.675 9.067 1.00 25.96 ? 147 LEU B CD1 1 ATOM 6101 C CD2 . LEU B 1 147 ? 7.990 24.243 8.291 1.00 28.78 ? 147 LEU B CD2 1 ATOM 6102 N N . ALA B 1 148 ? 5.772 29.183 10.302 1.00 23.94 ? 148 ALA B N 1 ATOM 6103 C CA . ALA B 1 148 ? 4.456 29.815 10.471 1.00 24.22 ? 148 ALA B CA 1 ATOM 6104 C C . ALA B 1 148 ? 4.344 31.131 9.706 1.00 25.86 ? 148 ALA B C 1 ATOM 6105 O O . ALA B 1 148 ? 3.272 31.465 9.188 1.00 25.57 ? 148 ALA B O 1 ATOM 6106 C CB . ALA B 1 148 ? 4.160 30.058 11.948 1.00 23.35 ? 148 ALA B CB 1 ATOM 6107 N N . SER B 1 149 ? 5.440 31.882 9.643 1.00 27.01 ? 149 SER B N 1 ATOM 6108 C CA . SER B 1 149 ? 5.336 33.271 9.203 1.00 29.45 ? 149 SER B CA 1 ATOM 6109 C C . SER B 1 149 ? 6.308 33.726 8.107 1.00 29.84 ? 149 SER B C 1 ATOM 6110 O O . SER B 1 149 ? 6.086 34.770 7.501 1.00 30.71 ? 149 SER B O 1 ATOM 6111 C CB . SER B 1 149 ? 5.403 34.214 10.408 1.00 31.41 ? 149 SER B CB 1 ATOM 6112 O OG . SER B 1 149 ? 6.706 34.210 10.959 1.00 33.87 ? 149 SER B OG 1 ATOM 6113 N N . SER B 1 150 ? 7.370 32.972 7.834 1.00 29.25 ? 150 SER B N 1 ATOM 6114 C CA . SER B 1 150 ? 8.245 33.361 6.723 1.00 30.07 ? 150 SER B CA 1 ATOM 6115 C C . SER B 1 150 ? 7.533 33.109 5.402 1.00 30.59 ? 150 SER B C 1 ATOM 6116 O O . SER B 1 150 ? 6.878 32.076 5.229 1.00 29.70 ? 150 SER B O 1 ATOM 6117 C CB . SER B 1 150 ? 9.592 32.637 6.751 1.00 29.46 ? 150 SER B CB 1 ATOM 6118 O OG . SER B 1 150 ? 10.379 32.989 5.622 1.00 28.34 ? 150 SER B OG 1 ATOM 6119 N N . ARG B 1 151 ? 7.649 34.068 4.485 1.00 31.17 ? 151 ARG B N 1 ATOM 6120 C CA . ARG B 1 151 ? 7.122 33.917 3.127 1.00 32.10 ? 151 ARG B CA 1 ATOM 6121 C C . ARG B 1 151 ? 8.266 33.904 2.110 1.00 32.31 ? 151 ARG B C 1 ATOM 6122 O O . ARG B 1 151 ? 8.048 34.115 0.920 1.00 33.34 ? 151 ARG B O 1 ATOM 6123 C CB . ARG B 1 151 ? 6.121 35.032 2.789 1.00 34.03 ? 151 ARG B CB 1 ATOM 6124 C CG . ARG B 1 151 ? 5.063 35.327 3.850 1.00 35.38 ? 151 ARG B CG 1 ATOM 6125 C CD . ARG B 1 151 ? 3.878 34.376 3.789 1.00 35.59 ? 151 ARG B CD 1 ATOM 6126 N NE . ARG B 1 151 ? 3.987 33.293 4.752 1.00 37.08 ? 151 ARG B NE 1 ATOM 6127 C CZ . ARG B 1 151 ? 3.153 33.049 5.770 1.00 35.97 ? 151 ARG B CZ 1 ATOM 6128 N NH1 . ARG B 1 151 ? 2.087 33.792 5.999 1.00 36.70 ? 151 ARG B NH1 1 ATOM 6129 N NH2 . ARG B 1 151 ? 3.389 32.018 6.559 1.00 34.25 ? 151 ARG B NH2 1 ATOM 6130 N N . SER B 1 152 ? 9.484 33.657 2.590 1.00 32.20 ? 152 SER B N 1 ATOM 6131 C CA . SER B 1 152 ? 10.650 33.481 1.724 1.00 32.43 ? 152 SER B CA 1 ATOM 6132 C C . SER B 1 152 ? 10.843 32.001 1.420 1.00 31.24 ? 152 SER B C 1 ATOM 6133 O O . SER B 1 152 ? 11.106 31.193 2.332 1.00 30.25 ? 152 SER B O 1 ATOM 6134 C CB . SER B 1 152 ? 11.907 34.043 2.390 1.00 34.06 ? 152 SER B CB 1 ATOM 6135 O OG . SER B 1 152 ? 13.071 33.411 1.881 1.00 35.09 ? 152 SER B OG 1 ATOM 6136 N N . TYR B 1 153 ? 10.718 31.651 0.141 1.00 29.98 ? 153 TYR B N 1 ATOM 6137 C CA . TYR B 1 153 ? 10.793 30.261 -0.286 1.00 28.48 ? 153 TYR B CA 1 ATOM 6138 C C . TYR B 1 153 ? 12.077 29.616 0.231 1.00 28.50 ? 153 TYR B C 1 ATOM 6139 O O . TYR B 1 153 ? 12.042 28.523 0.813 1.00 27.90 ? 153 TYR B O 1 ATOM 6140 C CB . TYR B 1 153 ? 10.678 30.141 -1.820 1.00 28.08 ? 153 TYR B CB 1 ATOM 6141 C CG . TYR B 1 153 ? 10.523 28.711 -2.313 1.00 26.75 ? 153 TYR B CG 1 ATOM 6142 C CD1 . TYR B 1 153 ? 11.639 27.899 -2.491 1.00 26.42 ? 153 TYR B CD1 1 ATOM 6143 C CD2 . TYR B 1 153 ? 9.264 28.177 -2.611 1.00 26.05 ? 153 TYR B CD2 1 ATOM 6144 C CE1 . TYR B 1 153 ? 11.521 26.592 -2.933 1.00 26.32 ? 153 TYR B CE1 1 ATOM 6145 C CE2 . TYR B 1 153 ? 9.133 26.863 -3.058 1.00 25.86 ? 153 TYR B CE2 1 ATOM 6146 C CZ . TYR B 1 153 ? 10.270 26.080 -3.221 1.00 25.99 ? 153 TYR B CZ 1 ATOM 6147 O OH . TYR B 1 153 ? 10.196 24.773 -3.655 1.00 26.30 ? 153 TYR B OH 1 ATOM 6148 N N . ALA B 1 154 ? 13.197 30.307 0.027 1.00 28.06 ? 154 ALA B N 1 ATOM 6149 C CA . ALA B 1 154 ? 14.528 29.808 0.386 1.00 28.49 ? 154 ALA B CA 1 ATOM 6150 C C . ALA B 1 154 ? 14.726 29.620 1.890 1.00 27.84 ? 154 ALA B C 1 ATOM 6151 O O . ALA B 1 154 ? 15.329 28.635 2.314 1.00 27.92 ? 154 ALA B O 1 ATOM 6152 C CB . ALA B 1 154 ? 15.613 30.717 -0.192 1.00 29.20 ? 154 ALA B CB 1 ATOM 6153 N N . MET B 1 155 ? 14.223 30.559 2.688 1.00 28.55 ? 155 MET B N 1 ATOM 6154 C CA . MET B 1 155 ? 14.268 30.453 4.150 1.00 28.30 ? 155 MET B CA 1 ATOM 6155 C C . MET B 1 155 ? 13.414 29.289 4.680 1.00 26.64 ? 155 MET B C 1 ATOM 6156 O O . MET B 1 155 ? 13.843 28.523 5.554 1.00 25.93 ? 155 MET B O 1 ATOM 6157 C CB . MET B 1 155 ? 13.808 31.774 4.786 1.00 30.49 ? 155 MET B CB 1 ATOM 6158 C CG . MET B 1 155 ? 13.819 31.796 6.306 1.00 31.27 ? 155 MET B CG 1 ATOM 6159 S SD . MET B 1 155 ? 15.478 31.911 6.995 1.00 35.24 ? 155 MET B SD 1 ATOM 6160 C CE . MET B 1 155 ? 15.958 30.198 7.105 1.00 34.13 ? 155 MET B CE 1 ATOM 6161 N N . LEU B 1 156 ? 12.202 29.171 4.156 1.00 25.54 ? 156 LEU B N 1 ATOM 6162 C CA . LEU B 1 156 ? 11.310 28.063 4.522 1.00 23.82 ? 156 LEU B CA 1 ATOM 6163 C C . LEU B 1 156 ? 11.980 26.723 4.182 1.00 23.75 ? 156 LEU B C 1 ATOM 6164 O O . LEU B 1 156 ? 12.015 25.800 5.005 1.00 22.93 ? 156 LEU B O 1 ATOM 6165 C CB . LEU B 1 156 ? 9.976 28.210 3.803 1.00 23.39 ? 156 LEU B CB 1 ATOM 6166 C CG . LEU B 1 156 ? 9.087 29.359 4.284 1.00 23.40 ? 156 LEU B CG 1 ATOM 6167 C CD1 . LEU B 1 156 ? 8.004 29.629 3.246 1.00 23.11 ? 156 LEU B CD1 1 ATOM 6168 C CD2 . LEU B 1 156 ? 8.479 29.026 5.650 1.00 22.44 ? 156 LEU B CD2 1 ATOM 6169 N N . LEU B 1 157 ? 12.562 26.651 2.984 1.00 23.78 ? 157 LEU B N 1 ATOM 6170 C CA . LEU B 1 157 ? 13.293 25.467 2.539 1.00 23.67 ? 157 LEU B CA 1 ATOM 6171 C C . LEU B 1 157 ? 14.447 25.114 3.475 1.00 23.82 ? 157 LEU B C 1 ATOM 6172 O O . LEU B 1 157 ? 14.632 23.948 3.821 1.00 23.53 ? 157 LEU B O 1 ATOM 6173 C CB . LEU B 1 157 ? 13.805 25.655 1.101 1.00 24.26 ? 157 LEU B CB 1 ATOM 6174 C CG . LEU B 1 157 ? 14.547 24.472 0.466 1.00 25.17 ? 157 LEU B CG 1 ATOM 6175 C CD1 . LEU B 1 157 ? 13.683 23.216 0.490 1.00 24.45 ? 157 LEU B CD1 1 ATOM 6176 C CD2 . LEU B 1 157 ? 14.985 24.769 -0.965 1.00 25.72 ? 157 LEU B CD2 1 ATOM 6177 N N . PHE B 1 158 ? 15.224 26.118 3.875 1.00 24.99 ? 158 PHE B N 1 ATOM 6178 C CA . PHE B 1 158 ? 16.390 25.891 4.733 1.00 26.19 ? 158 PHE B CA 1 ATOM 6179 C C . PHE B 1 158 ? 15.957 25.345 6.101 1.00 25.03 ? 158 PHE B C 1 ATOM 6180 O O . PHE B 1 158 ? 16.608 24.467 6.663 1.00 25.55 ? 158 PHE B O 1 ATOM 6181 C CB . PHE B 1 158 ? 17.200 27.184 4.892 1.00 28.03 ? 158 PHE B CB 1 ATOM 6182 C CG . PHE B 1 158 ? 18.395 27.050 5.805 1.00 30.05 ? 158 PHE B CG 1 ATOM 6183 C CD1 . PHE B 1 158 ? 19.614 26.573 5.317 1.00 31.36 ? 158 PHE B CD1 1 ATOM 6184 C CD2 . PHE B 1 158 ? 18.308 27.410 7.149 1.00 30.21 ? 158 PHE B CD2 1 ATOM 6185 C CE1 . PHE B 1 158 ? 20.715 26.448 6.163 1.00 32.21 ? 158 PHE B CE1 1 ATOM 6186 C CE2 . PHE B 1 158 ? 19.404 27.284 7.997 1.00 30.47 ? 158 PHE B CE2 1 ATOM 6187 C CZ . PHE B 1 158 ? 20.601 26.795 7.501 1.00 31.47 ? 158 PHE B CZ 1 ATOM 6188 N N . ALA B 1 159 ? 14.865 25.883 6.630 1.00 23.70 ? 159 ALA B N 1 ATOM 6189 C CA . ALA B 1 159 ? 14.308 25.409 7.890 1.00 22.58 ? 159 ALA B CA 1 ATOM 6190 C C . ALA B 1 159 ? 13.758 23.977 7.732 1.00 21.80 ? 159 ALA B C 1 ATOM 6191 O O . ALA B 1 159 ? 14.083 23.106 8.530 1.00 22.17 ? 159 ALA B O 1 ATOM 6192 C CB . ALA B 1 159 ? 13.245 26.374 8.389 1.00 21.83 ? 159 ALA B CB 1 ATOM 6193 N N . TRP B 1 160 ? 12.978 23.732 6.678 1.00 21.38 ? 160 TRP B N 1 ATOM 6194 C CA . TRP B 1 160 ? 12.386 22.400 6.410 1.00 20.82 ? 160 TRP B CA 1 ATOM 6195 C C . TRP B 1 160 ? 13.452 21.322 6.209 1.00 21.06 ? 160 TRP B C 1 ATOM 6196 O O . TRP B 1 160 ? 13.372 20.239 6.783 1.00 20.43 ? 160 TRP B O 1 ATOM 6197 C CB . TRP B 1 160 ? 11.455 22.446 5.189 1.00 20.05 ? 160 TRP B CB 1 ATOM 6198 C CG . TRP B 1 160 ? 10.646 21.186 4.995 1.00 19.39 ? 160 TRP B CG 1 ATOM 6199 C CD1 . TRP B 1 160 ? 9.379 20.956 5.444 1.00 18.44 ? 160 TRP B CD1 1 ATOM 6200 C CD2 . TRP B 1 160 ? 11.064 19.975 4.335 1.00 18.77 ? 160 TRP B CD2 1 ATOM 6201 N NE1 . TRP B 1 160 ? 8.975 19.689 5.093 1.00 17.72 ? 160 TRP B NE1 1 ATOM 6202 C CE2 . TRP B 1 160 ? 9.989 19.060 4.424 1.00 18.41 ? 160 TRP B CE2 1 ATOM 6203 C CE3 . TRP B 1 160 ? 12.239 19.574 3.689 1.00 19.09 ? 160 TRP B CE3 1 ATOM 6204 C CZ2 . TRP B 1 160 ? 10.048 17.772 3.876 1.00 18.03 ? 160 TRP B CZ2 1 ATOM 6205 C CZ3 . TRP B 1 160 ? 12.306 18.281 3.142 1.00 19.39 ? 160 TRP B CZ3 1 ATOM 6206 C CH2 . TRP B 1 160 ? 11.208 17.396 3.244 1.00 18.86 ? 160 TRP B CH2 1 ATOM 6207 N N . GLU B 1 161 ? 14.450 21.618 5.384 1.00 21.93 ? 161 GLU B N 1 ATOM 6208 C CA . GLU B 1 161 ? 15.479 20.642 5.076 1.00 22.22 ? 161 GLU B CA 1 ATOM 6209 C C . GLU B 1 161 ? 16.388 20.448 6.277 1.00 22.14 ? 161 GLU B C 1 ATOM 6210 O O . GLU B 1 161 ? 16.716 19.315 6.640 1.00 21.29 ? 161 GLU B O 1 ATOM 6211 C CB . GLU B 1 161 ? 16.261 21.052 3.827 1.00 24.13 ? 161 GLU B CB 1 ATOM 6212 C CG . GLU B 1 161 ? 17.583 20.320 3.666 1.00 26.30 ? 161 GLU B CG 1 ATOM 6213 C CD . GLU B 1 161 ? 18.329 20.717 2.413 1.00 28.04 ? 161 GLU B CD 1 ATOM 6214 O OE1 . GLU B 1 161 ? 18.591 21.922 2.211 1.00 29.63 ? 161 GLU B OE1 1 ATOM 6215 O OE2 . GLU B 1 161 ? 18.652 19.813 1.628 1.00 28.88 ? 161 GLU B OE2 1 ATOM 6216 N N . GLY B 1 162 ? 16.776 21.562 6.901 1.00 22.32 ? 162 GLY B N 1 ATOM 6217 C CA . GLY B 1 162 ? 17.620 21.523 8.079 1.00 22.54 ? 162 GLY B CA 1 ATOM 6218 C C . GLY B 1 162 ? 17.020 20.646 9.149 1.00 22.04 ? 162 GLY B C 1 ATOM 6219 O O . GLY B 1 162 ? 17.698 19.767 9.703 1.00 21.77 ? 162 GLY B O 1 ATOM 6220 N N . TRP B 1 163 ? 15.735 20.857 9.426 1.00 21.45 ? 163 TRP B N 1 ATOM 6221 C CA . TRP B 1 163 ? 15.080 20.074 10.462 1.00 20.74 ? 163 TRP B CA 1 ATOM 6222 C C . TRP B 1 163 ? 15.004 18.590 10.108 1.00 20.67 ? 163 TRP B C 1 ATOM 6223 O O . TRP B 1 163 ? 15.362 17.739 10.930 1.00 20.53 ? 163 TRP B O 1 ATOM 6224 C CB . TRP B 1 163 ? 13.691 20.615 10.820 1.00 20.23 ? 163 TRP B CB 1 ATOM 6225 C CG . TRP B 1 163 ? 13.053 19.736 11.828 1.00 19.99 ? 163 TRP B CG 1 ATOM 6226 C CD1 . TRP B 1 163 ? 11.999 18.884 11.627 1.00 19.33 ? 163 TRP B CD1 1 ATOM 6227 C CD2 . TRP B 1 163 ? 13.472 19.542 13.185 1.00 20.12 ? 163 TRP B CD2 1 ATOM 6228 N NE1 . TRP B 1 163 ? 11.720 18.201 12.777 1.00 19.06 ? 163 TRP B NE1 1 ATOM 6229 C CE2 . TRP B 1 163 ? 12.609 18.578 13.751 1.00 19.58 ? 163 TRP B CE2 1 ATOM 6230 C CE3 . TRP B 1 163 ? 14.493 20.098 13.985 1.00 20.66 ? 163 TRP B CE3 1 ATOM 6231 C CZ2 . TRP B 1 163 ? 12.728 18.150 15.078 1.00 19.53 ? 163 TRP B CZ2 1 ATOM 6232 C CZ3 . TRP B 1 163 ? 14.606 19.676 15.305 1.00 20.77 ? 163 TRP B CZ3 1 ATOM 6233 C CH2 . TRP B 1 163 ? 13.728 18.711 15.837 1.00 20.37 ? 163 TRP B CH2 1 ATOM 6234 N N . HIS B 1 164 ? 14.546 18.274 8.896 1.00 20.28 ? 164 HIS B N 1 ATOM 6235 C CA . HIS B 1 164 ? 14.374 16.868 8.525 1.00 20.35 ? 164 HIS B CA 1 ATOM 6236 C C . HIS B 1 164 ? 15.685 16.096 8.533 1.00 21.12 ? 164 HIS B C 1 ATOM 6237 O O . HIS B 1 164 ? 15.744 14.989 9.064 1.00 21.08 ? 164 HIS B O 1 ATOM 6238 C CB . HIS B 1 164 ? 13.598 16.722 7.213 1.00 19.22 ? 164 HIS B CB 1 ATOM 6239 C CG . HIS B 1 164 ? 12.132 16.968 7.376 1.00 18.97 ? 164 HIS B CG 1 ATOM 6240 N ND1 . HIS B 1 164 ? 11.595 18.234 7.495 1.00 18.42 ? 164 HIS B ND1 1 ATOM 6241 C CD2 . HIS B 1 164 ? 11.089 16.104 7.472 1.00 18.39 ? 164 HIS B CD2 1 ATOM 6242 C CE1 . HIS B 1 164 ? 10.284 18.140 7.656 1.00 18.67 ? 164 HIS B CE1 1 ATOM 6243 N NE2 . HIS B 1 164 ? 9.952 16.858 7.650 1.00 18.17 ? 164 HIS B NE2 1 ATOM 6244 N N . ASN B 1 165 ? 16.729 16.706 7.982 1.00 22.74 ? 165 ASN B N 1 ATOM 6245 C CA . ASN B 1 165 ? 18.089 16.151 8.042 1.00 23.94 ? 165 ASN B CA 1 ATOM 6246 C C . ASN B 1 165 ? 18.634 15.961 9.471 1.00 24.28 ? 165 ASN B C 1 ATOM 6247 O O . ASN B 1 165 ? 19.163 14.891 9.796 1.00 24.48 ? 165 ASN B O 1 ATOM 6248 C CB . ASN B 1 165 ? 19.041 16.983 7.181 1.00 24.33 ? 165 ASN B CB 1 ATOM 6249 C CG . ASN B 1 165 ? 18.754 16.853 5.694 1.00 24.80 ? 165 ASN B CG 1 ATOM 6250 O OD1 . ASN B 1 165 ? 17.881 16.084 5.276 1.00 24.56 ? 165 ASN B OD1 1 ATOM 6251 N ND2 . ASN B 1 165 ? 19.486 17.605 4.883 1.00 25.45 ? 165 ASN B ND2 1 ATOM 6252 N N . ALA B 1 166 ? 18.485 16.979 10.325 1.00 24.46 ? 166 ALA B N 1 ATOM 6253 C CA . ALA B 1 166 ? 19.008 16.921 11.692 1.00 24.01 ? 166 ALA B CA 1 ATOM 6254 C C . ALA B 1 166 ? 18.331 15.872 12.559 1.00 23.63 ? 166 ALA B C 1 ATOM 6255 O O . ALA B 1 166 ? 19.006 15.090 13.230 1.00 23.31 ? 166 ALA B O 1 ATOM 6256 C CB . ALA B 1 166 ? 18.912 18.285 12.359 1.00 24.81 ? 166 ALA B CB 1 ATOM 6257 N N . ALA B 1 167 ? 17.003 15.856 12.554 1.00 22.83 ? 167 ALA B N 1 ATOM 6258 C CA . ALA B 1 167 ? 16.252 14.927 13.394 1.00 23.03 ? 167 ALA B CA 1 ATOM 6259 C C . ALA B 1 167 ? 16.224 13.520 12.809 1.00 22.79 ? 167 ALA B C 1 ATOM 6260 O O . ALA B 1 167 ? 16.498 12.553 13.517 1.00 23.61 ? 167 ALA B O 1 ATOM 6261 C CB . ALA B 1 167 ? 14.830 15.435 13.622 1.00 22.77 ? 167 ALA B CB 1 ATOM 6262 N N . GLY B 1 168 ? 15.906 13.419 11.522 1.00 23.09 ? 168 GLY B N 1 ATOM 6263 C CA . GLY B 1 168 ? 15.648 12.134 10.861 1.00 23.08 ? 168 GLY B CA 1 ATOM 6264 C C . GLY B 1 168 ? 16.834 11.208 10.665 1.00 22.90 ? 168 GLY B C 1 ATOM 6265 O O . GLY B 1 168 ? 16.786 10.042 11.065 1.00 22.44 ? 168 GLY B O 1 ATOM 6266 N N . ILE B 1 169 ? 17.905 11.719 10.067 1.00 23.87 ? 169 ILE B N 1 ATOM 6267 C CA . ILE B 1 169 ? 19.062 10.872 9.713 1.00 24.14 ? 169 ILE B CA 1 ATOM 6268 C C . ILE B 1 169 ? 19.636 10.045 10.893 1.00 24.55 ? 169 ILE B C 1 ATOM 6269 O O . ILE B 1 169 ? 19.691 8.816 10.806 1.00 24.73 ? 169 ILE B O 1 ATOM 6270 C CB . ILE B 1 169 ? 20.148 11.666 8.951 1.00 24.58 ? 169 ILE B CB 1 ATOM 6271 C CG1 . ILE B 1 169 ? 19.565 12.217 7.637 1.00 23.93 ? 169 ILE B CG1 1 ATOM 6272 C CG2 . ILE B 1 169 ? 21.389 10.793 8.709 1.00 24.97 ? 169 ILE B CG2 1 ATOM 6273 C CD1 . ILE B 1 169 ? 20.408 13.272 6.945 1.00 23.76 ? 169 ILE B CD1 1 ATOM 6274 N N . PRO B 1 170 ? 20.025 10.695 12.006 1.00 25.11 ? 170 PRO B N 1 ATOM 6275 C CA . PRO B 1 170 ? 20.566 9.918 13.134 1.00 25.12 ? 170 PRO B CA 1 ATOM 6276 C C . PRO B 1 170 ? 19.552 9.001 13.809 1.00 24.89 ? 170 PRO B C 1 ATOM 6277 O O . PRO B 1 170 ? 19.936 8.056 14.505 1.00 24.57 ? 170 PRO B O 1 ATOM 6278 C CB . PRO B 1 170 ? 21.040 11.002 14.106 1.00 25.69 ? 170 PRO B CB 1 ATOM 6279 C CG . PRO B 1 170 ? 20.235 12.203 13.753 1.00 25.61 ? 170 PRO B CG 1 ATOM 6280 C CD . PRO B 1 170 ? 20.121 12.144 12.260 1.00 25.11 ? 170 PRO B CD 1 ATOM 6281 N N . LEU B 1 171 ? 18.263 9.257 13.594 1.00 24.13 ? 171 LEU B N 1 ATOM 6282 C CA . LEU B 1 171 ? 17.234 8.431 14.199 1.00 24.18 ? 171 LEU B CA 1 ATOM 6283 C C . LEU B 1 171 ? 17.078 7.047 13.562 1.00 23.52 ? 171 LEU B C 1 ATOM 6284 O O . LEU B 1 171 ? 16.707 6.094 14.244 1.00 23.34 ? 171 LEU B O 1 ATOM 6285 C CB . LEU B 1 171 ? 15.883 9.161 14.202 1.00 24.45 ? 171 LEU B CB 1 ATOM 6286 C CG . LEU B 1 171 ? 15.673 10.115 15.385 1.00 25.70 ? 171 LEU B CG 1 ATOM 6287 C CD1 . LEU B 1 171 ? 14.426 10.960 15.139 1.00 25.76 ? 171 LEU B CD1 1 ATOM 6288 C CD2 . LEU B 1 171 ? 15.547 9.330 16.688 1.00 24.98 ? 171 LEU B CD2 1 ATOM 6289 N N . LYS B 1 172 ? 17.338 6.942 12.266 1.00 23.34 ? 172 LYS B N 1 ATOM 6290 C CA . LYS B 1 172 ? 17.012 5.714 11.533 1.00 24.21 ? 172 LYS B CA 1 ATOM 6291 C C . LYS B 1 172 ? 17.592 4.418 12.107 1.00 25.07 ? 172 LYS B C 1 ATOM 6292 O O . LYS B 1 172 ? 16.837 3.466 12.301 1.00 25.07 ? 172 LYS B O 1 ATOM 6293 C CB . LYS B 1 172 ? 17.302 5.833 10.030 1.00 24.52 ? 172 LYS B CB 1 ATOM 6294 C CG . LYS B 1 172 ? 16.660 4.700 9.224 1.00 23.65 ? 172 LYS B CG 1 ATOM 6295 C CD . LYS B 1 172 ? 16.989 4.774 7.747 1.00 24.56 ? 172 LYS B CD 1 ATOM 6296 C CE . LYS B 1 172 ? 16.373 3.579 7.010 1.00 24.30 ? 172 LYS B CE 1 ATOM 6297 N NZ . LYS B 1 172 ? 16.725 3.600 5.564 1.00 24.61 ? 172 LYS B NZ 1 ATOM 6298 N N . PRO B 1 173 ? 18.922 4.362 12.381 1.00 26.37 ? 173 PRO B N 1 ATOM 6299 C CA . PRO B 1 173 ? 19.404 3.066 12.901 1.00 26.68 ? 173 PRO B CA 1 ATOM 6300 C C . PRO B 1 173 ? 18.759 2.663 14.228 1.00 26.62 ? 173 PRO B C 1 ATOM 6301 O O . PRO B 1 173 ? 18.542 1.477 14.465 1.00 26.96 ? 173 PRO B O 1 ATOM 6302 C CB . PRO B 1 173 ? 20.930 3.257 13.050 1.00 27.89 ? 173 PRO B CB 1 ATOM 6303 C CG . PRO B 1 173 ? 21.206 4.699 12.773 1.00 28.56 ? 173 PRO B CG 1 ATOM 6304 C CD . PRO B 1 173 ? 20.032 5.256 12.002 1.00 26.84 ? 173 PRO B CD 1 ATOM 6305 N N . LEU B 1 174 ? 18.427 3.641 15.072 1.00 26.79 ? 174 LEU B N 1 ATOM 6306 C CA . LEU B 1 174 ? 17.785 3.349 16.358 1.00 26.69 ? 174 LEU B CA 1 ATOM 6307 C C . LEU B 1 174 ? 16.351 2.889 16.163 1.00 25.90 ? 174 LEU B C 1 ATOM 6308 O O . LEU B 1 174 ? 15.876 1.970 16.860 1.00 26.82 ? 174 LEU B O 1 ATOM 6309 C CB . LEU B 1 174 ? 17.813 4.566 17.303 1.00 27.96 ? 174 LEU B CB 1 ATOM 6310 C CG . LEU B 1 174 ? 19.068 5.424 17.562 1.00 28.90 ? 174 LEU B CG 1 ATOM 6311 C CD1 . LEU B 1 174 ? 18.918 6.110 18.912 1.00 28.60 ? 174 LEU B CD1 1 ATOM 6312 C CD2 . LEU B 1 174 ? 20.380 4.664 17.527 1.00 29.67 ? 174 LEU B CD2 1 ATOM 6313 N N . TYR B 1 175 ? 15.649 3.519 15.222 1.00 24.29 ? 175 TYR B N 1 ATOM 6314 C CA . TYR B 1 175 ? 14.242 3.171 15.007 1.00 23.88 ? 175 TYR B CA 1 ATOM 6315 C C . TYR B 1 175 ? 14.084 1.735 14.499 1.00 24.06 ? 175 TYR B C 1 ATOM 6316 O O . TYR B 1 175 ? 13.145 1.034 14.894 1.00 23.90 ? 175 TYR B O 1 ATOM 6317 C CB . TYR B 1 175 ? 13.512 4.181 14.098 1.00 22.77 ? 175 TYR B CB 1 ATOM 6318 C CG . TYR B 1 175 ? 12.020 4.037 14.222 1.00 22.50 ? 175 TYR B CG 1 ATOM 6319 C CD1 . TYR B 1 175 ? 11.340 4.576 15.321 1.00 22.39 ? 175 TYR B CD1 1 ATOM 6320 C CD2 . TYR B 1 175 ? 11.289 3.313 13.276 1.00 21.88 ? 175 TYR B CD2 1 ATOM 6321 C CE1 . TYR B 1 175 ? 9.970 4.417 15.460 1.00 21.95 ? 175 TYR B CE1 1 ATOM 6322 C CE2 . TYR B 1 175 ? 9.913 3.143 13.406 1.00 22.42 ? 175 TYR B CE2 1 ATOM 6323 C CZ . TYR B 1 175 ? 9.262 3.704 14.500 1.00 21.83 ? 175 TYR B CZ 1 ATOM 6324 O OH . TYR B 1 175 ? 7.912 3.541 14.646 1.00 21.74 ? 175 TYR B OH 1 ATOM 6325 N N . GLU B 1 176 ? 15.014 1.293 13.656 1.00 25.37 ? 176 GLU B N 1 ATOM 6326 C CA . GLU B 1 176 ? 15.011 -0.100 13.176 1.00 27.17 ? 176 GLU B CA 1 ATOM 6327 C C . GLU B 1 176 ? 15.110 -1.088 14.352 1.00 27.34 ? 176 GLU B C 1 ATOM 6328 O O . GLU B 1 176 ? 14.347 -2.048 14.432 1.00 27.61 ? 176 GLU B O 1 ATOM 6329 C CB . GLU B 1 176 ? 16.152 -0.353 12.185 1.00 28.48 ? 176 GLU B CB 1 ATOM 6330 C CG . GLU B 1 176 ? 16.292 0.647 11.052 1.00 29.34 ? 176 GLU B CG 1 ATOM 6331 C CD . GLU B 1 176 ? 17.400 0.266 10.073 1.00 32.54 ? 176 GLU B CD 1 ATOM 6332 O OE1 . GLU B 1 176 ? 17.916 -0.877 10.161 1.00 33.23 ? 176 GLU B OE1 1 ATOM 6333 O OE2 . GLU B 1 176 ? 17.746 1.101 9.204 1.00 32.27 ? 176 GLU B OE2 1 ATOM 6334 N N . ASP B 1 177 ? 16.032 -0.823 15.276 1.00 28.31 ? 177 ASP B N 1 ATOM 6335 C CA . ASP B 1 177 ? 16.220 -1.662 16.456 1.00 28.94 ? 177 ASP B CA 1 ATOM 6336 C C . ASP B 1 177 ? 15.005 -1.675 17.370 1.00 28.85 ? 177 ASP B C 1 ATOM 6337 O O . ASP B 1 177 ? 14.622 -2.733 17.882 1.00 28.60 ? 177 ASP B O 1 ATOM 6338 C CB . ASP B 1 177 ? 17.437 -1.200 17.246 1.00 30.49 ? 177 ASP B CB 1 ATOM 6339 C CG . ASP B 1 177 ? 18.738 -1.495 16.539 1.00 32.22 ? 177 ASP B CG 1 ATOM 6340 O OD1 . ASP B 1 177 ? 18.715 -1.996 15.387 1.00 31.95 ? 177 ASP B OD1 1 ATOM 6341 O OD2 . ASP B 1 177 ? 19.792 -1.222 17.152 1.00 33.59 ? 177 ASP B OD2 1 ATOM 6342 N N . PHE B 1 178 ? 14.406 -0.501 17.584 1.00 28.00 ? 178 PHE B N 1 ATOM 6343 C CA . PHE B 1 178 ? 13.230 -0.404 18.428 1.00 27.32 ? 178 PHE B CA 1 ATOM 6344 C C . PHE B 1 178 ? 12.069 -1.227 17.860 1.00 27.44 ? 178 PHE B C 1 ATOM 6345 O O . PHE B 1 178 ? 11.378 -1.938 18.601 1.00 26.53 ? 178 PHE B O 1 ATOM 6346 C CB . PHE B 1 178 ? 12.789 1.054 18.617 1.00 26.77 ? 178 PHE B CB 1 ATOM 6347 C CG . PHE B 1 178 ? 11.325 1.183 18.896 1.00 26.26 ? 178 PHE B CG 1 ATOM 6348 C CD1 . PHE B 1 178 ? 10.832 0.985 20.178 1.00 26.07 ? 178 PHE B CD1 1 ATOM 6349 C CD2 . PHE B 1 178 ? 10.430 1.440 17.863 1.00 25.69 ? 178 PHE B CD2 1 ATOM 6350 C CE1 . PHE B 1 178 ? 9.470 1.059 20.435 1.00 26.56 ? 178 PHE B CE1 1 ATOM 6351 C CE2 . PHE B 1 178 ? 9.070 1.520 18.109 1.00 26.25 ? 178 PHE B CE2 1 ATOM 6352 C CZ . PHE B 1 178 ? 8.585 1.330 19.399 1.00 26.11 ? 178 PHE B CZ 1 ATOM 6353 N N . THR B 1 179 ? 11.863 -1.118 16.544 1.00 26.95 ? 179 THR B N 1 ATOM 6354 C CA . THR B 1 179 ? 10.763 -1.794 15.857 1.00 26.70 ? 179 THR B CA 1 ATOM 6355 C C . THR B 1 179 ? 10.857 -3.309 16.074 1.00 26.50 ? 179 THR B C 1 ATOM 6356 O O . THR B 1 179 ? 9.866 -3.960 16.394 1.00 26.21 ? 179 THR B O 1 ATOM 6357 C CB . THR B 1 179 ? 10.755 -1.450 14.350 1.00 26.50 ? 179 THR B CB 1 ATOM 6358 O OG1 . THR B 1 179 ? 10.463 -0.057 14.182 1.00 26.34 ? 179 THR B OG1 1 ATOM 6359 C CG2 . THR B 1 179 ? 9.723 -2.276 13.599 1.00 26.35 ? 179 THR B CG2 1 ATOM 6360 N N . ALA B 1 180 ? 12.063 -3.846 15.918 1.00 27.23 ? 180 ALA B N 1 ATOM 6361 C CA . ALA B 1 180 ? 12.303 -5.278 16.074 1.00 27.30 ? 180 ALA B CA 1 ATOM 6362 C C . ALA B 1 180 ? 12.047 -5.740 17.514 1.00 27.68 ? 180 ALA B C 1 ATOM 6363 O O . ALA B 1 180 ? 11.381 -6.753 17.732 1.00 27.43 ? 180 ALA B O 1 ATOM 6364 C CB . ALA B 1 180 ? 13.709 -5.625 15.628 1.00 27.22 ? 180 ALA B CB 1 ATOM 6365 N N . LEU B 1 181 ? 12.539 -4.986 18.496 1.00 27.99 ? 181 LEU B N 1 ATOM 6366 C CA . LEU B 1 181 ? 12.304 -5.334 19.905 1.00 28.61 ? 181 LEU B CA 1 ATOM 6367 C C . LEU B 1 181 ? 10.826 -5.210 20.320 1.00 28.93 ? 181 LEU B C 1 ATOM 6368 O O . LEU B 1 181 ? 10.303 -6.052 21.074 1.00 28.63 ? 181 LEU B O 1 ATOM 6369 C CB . LEU B 1 181 ? 13.195 -4.498 20.834 1.00 29.37 ? 181 LEU B CB 1 ATOM 6370 C CG . LEU B 1 181 ? 14.708 -4.766 20.808 1.00 30.58 ? 181 LEU B CG 1 ATOM 6371 C CD1 . LEU B 1 181 ? 15.471 -3.702 21.591 1.00 30.67 ? 181 LEU B CD1 1 ATOM 6372 C CD2 . LEU B 1 181 ? 15.050 -6.158 21.337 1.00 31.33 ? 181 LEU B CD2 1 ATOM 6373 N N . SER B 1 182 ? 10.161 -4.161 19.841 1.00 26.84 ? 182 SER B N 1 ATOM 6374 C CA . SER B 1 182 ? 8.759 -3.953 20.168 1.00 27.06 ? 182 SER B CA 1 ATOM 6375 C C . SER B 1 182 ? 7.900 -5.098 19.627 1.00 27.26 ? 182 SER B C 1 ATOM 6376 O O . SER B 1 182 ? 7.037 -5.620 20.344 1.00 25.73 ? 182 SER B O 1 ATOM 6377 C CB . SER B 1 182 ? 8.250 -2.615 19.629 1.00 26.44 ? 182 SER B CB 1 ATOM 6378 O OG . SER B 1 182 ? 6.885 -2.452 19.961 1.00 27.03 ? 182 SER B OG 1 ATOM 6379 N N . ASN B 1 183 ? 8.162 -5.487 18.375 1.00 27.55 ? 183 ASN B N 1 ATOM 6380 C CA . ASN B 1 183 ? 7.435 -6.581 17.733 1.00 28.58 ? 183 ASN B CA 1 ATOM 6381 C C . ASN B 1 183 ? 7.656 -7.898 18.452 1.00 30.04 ? 183 ASN B C 1 ATOM 6382 O O . ASN B 1 183 ? 6.720 -8.688 18.618 1.00 31.05 ? 183 ASN B O 1 ATOM 6383 C CB . ASN B 1 183 ? 7.843 -6.724 16.265 1.00 29.44 ? 183 ASN B CB 1 ATOM 6384 C CG . ASN B 1 183 ? 7.048 -5.825 15.343 1.00 29.59 ? 183 ASN B CG 1 ATOM 6385 O OD1 . ASN B 1 183 ? 5.985 -5.321 15.705 1.00 30.65 ? 183 ASN B OD1 1 ATOM 6386 N ND2 . ASN B 1 183 ? 7.557 -5.631 14.129 1.00 29.02 ? 183 ASN B ND2 1 ATOM 6387 N N . GLU B 1 184 ? 8.898 -8.127 18.875 1.00 30.59 ? 184 GLU B N 1 ATOM 6388 C CA . GLU B 1 184 ? 9.266 -9.334 19.605 1.00 33.08 ? 184 GLU B CA 1 ATOM 6389 C C . GLU B 1 184 ? 8.529 -9.399 20.949 1.00 33.69 ? 184 GLU B C 1 ATOM 6390 O O . GLU B 1 184 ? 8.098 -10.473 21.389 1.00 33.92 ? 184 GLU B O 1 ATOM 6391 C CB . GLU B 1 184 ? 10.782 -9.352 19.825 1.00 34.96 ? 184 GLU B CB 1 ATOM 6392 C CG . GLU B 1 184 ? 11.330 -10.695 20.278 1.00 39.10 ? 184 GLU B CG 1 ATOM 6393 C CD . GLU B 1 184 ? 12.704 -10.575 20.904 1.00 41.00 ? 184 GLU B CD 1 ATOM 6394 O OE1 . GLU B 1 184 ? 13.575 -9.892 20.318 1.00 40.92 ? 184 GLU B OE1 1 ATOM 6395 O OE2 . GLU B 1 184 ? 12.911 -11.162 21.989 1.00 43.03 ? 184 GLU B OE2 1 ATOM 6396 N N . ALA B 1 185 ? 8.379 -8.238 21.585 1.00 32.51 ? 185 ALA B N 1 ATOM 6397 C CA . ALA B 1 185 ? 7.725 -8.131 22.877 1.00 32.69 ? 185 ALA B CA 1 ATOM 6398 C C . ALA B 1 185 ? 6.250 -8.501 22.770 1.00 33.63 ? 185 ALA B C 1 ATOM 6399 O O . ALA B 1 185 ? 5.770 -9.385 23.498 1.00 34.37 ? 185 ALA B O 1 ATOM 6400 C CB . ALA B 1 185 ? 7.877 -6.719 23.422 1.00 31.05 ? 185 ALA B CB 1 ATOM 6401 N N . TYR B 1 186 ? 5.543 -7.838 21.853 1.00 32.73 ? 186 TYR B N 1 ATOM 6402 C CA . TYR B 1 186 ? 4.097 -8.001 21.734 1.00 35.19 ? 186 TYR B CA 1 ATOM 6403 C C . TYR B 1 186 ? 3.643 -9.288 21.047 1.00 35.89 ? 186 TYR B C 1 ATOM 6404 O O . TYR B 1 186 ? 2.515 -9.744 21.271 1.00 35.76 ? 186 TYR B O 1 ATOM 6405 C CB . TYR B 1 186 ? 3.446 -6.753 21.128 1.00 34.68 ? 186 TYR B CB 1 ATOM 6406 C CG . TYR B 1 186 ? 3.351 -5.644 22.152 1.00 35.55 ? 186 TYR B CG 1 ATOM 6407 C CD1 . TYR B 1 186 ? 2.405 -5.703 23.175 1.00 36.33 ? 186 TYR B CD1 1 ATOM 6408 C CD2 . TYR B 1 186 ? 4.239 -4.566 22.136 1.00 35.82 ? 186 TYR B CD2 1 ATOM 6409 C CE1 . TYR B 1 186 ? 2.326 -4.710 24.140 1.00 36.57 ? 186 TYR B CE1 1 ATOM 6410 C CE2 . TYR B 1 186 ? 4.164 -3.561 23.095 1.00 36.69 ? 186 TYR B CE2 1 ATOM 6411 C CZ . TYR B 1 186 ? 3.204 -3.642 24.094 1.00 36.68 ? 186 TYR B CZ 1 ATOM 6412 O OH . TYR B 1 186 ? 3.105 -2.661 25.050 1.00 37.90 ? 186 TYR B OH 1 ATOM 6413 N N . LYS B 1 187 ? 4.521 -9.879 20.239 1.00 37.58 ? 187 LYS B N 1 ATOM 6414 C CA . LYS B 1 187 ? 4.237 -11.184 19.630 1.00 39.07 ? 187 LYS B CA 1 ATOM 6415 C C . LYS B 1 187 ? 3.984 -12.256 20.696 1.00 40.19 ? 187 LYS B C 1 ATOM 6416 O O . LYS B 1 187 ? 3.153 -13.155 20.510 1.00 39.78 ? 187 LYS B O 1 ATOM 6417 C CB . LYS B 1 187 ? 5.354 -11.615 18.672 1.00 40.50 ? 187 LYS B CB 1 ATOM 6418 C CG . LYS B 1 187 ? 5.190 -11.077 17.249 1.00 42.60 ? 187 LYS B CG 1 ATOM 6419 C CD . LYS B 1 187 ? 5.986 -11.878 16.218 1.00 44.74 ? 187 LYS B CD 1 ATOM 6420 C CE . LYS B 1 187 ? 5.349 -13.244 15.943 1.00 47.39 ? 187 LYS B CE 1 ATOM 6421 N NZ . LYS B 1 187 ? 6.042 -14.019 14.872 1.00 47.85 ? 187 LYS B NZ 1 ATOM 6422 N N . GLN B 1 188 ? 4.675 -12.126 21.825 1.00 40.11 ? 188 GLN B N 1 ATOM 6423 C CA . GLN B 1 188 ? 4.527 -13.054 22.938 1.00 41.16 ? 188 GLN B CA 1 ATOM 6424 C C . GLN B 1 188 ? 3.230 -12.858 23.725 1.00 40.87 ? 188 GLN B C 1 ATOM 6425 O O . GLN B 1 188 ? 2.905 -13.660 24.598 1.00 41.98 ? 188 GLN B O 1 ATOM 6426 C CB . GLN B 1 188 ? 5.749 -12.985 23.854 1.00 42.75 ? 188 GLN B CB 1 ATOM 6427 C CG . GLN B 1 188 ? 7.008 -13.518 23.188 1.00 45.31 ? 188 GLN B CG 1 ATOM 6428 C CD . GLN B 1 188 ? 8.272 -13.186 23.949 1.00 47.97 ? 188 GLN B CD 1 ATOM 6429 O OE1 . GLN B 1 188 ? 9.060 -12.341 23.521 1.00 49.89 ? 188 GLN B OE1 1 ATOM 6430 N NE2 . GLN B 1 188 ? 8.475 -13.846 25.085 1.00 49.16 ? 188 GLN B NE2 1 ATOM 6431 N N . ASP B 1 189 ? 2.485 -11.803 23.411 1.00 38.37 ? 189 ASP B N 1 ATOM 6432 C CA . ASP B 1 189 ? 1.156 -11.626 23.982 1.00 37.98 ? 189 ASP B CA 1 ATOM 6433 C C . ASP B 1 189 ? 0.063 -12.134 23.054 1.00 38.37 ? 189 ASP B C 1 ATOM 6434 O O . ASP B 1 189 ? -1.118 -12.094 23.410 1.00 38.53 ? 189 ASP B O 1 ATOM 6435 C CB . ASP B 1 189 ? 0.906 -10.162 24.342 1.00 37.70 ? 189 ASP B CB 1 ATOM 6436 C CG . ASP B 1 189 ? 1.829 -9.667 25.440 1.00 37.77 ? 189 ASP B CG 1 ATOM 6437 O OD1 . ASP B 1 189 ? 2.031 -10.394 26.436 1.00 38.87 ? 189 ASP B OD1 1 ATOM 6438 O OD2 . ASP B 1 189 ? 2.350 -8.541 25.318 1.00 36.92 ? 189 ASP B OD2 1 ATOM 6439 N N . GLY B 1 190 ? 0.458 -12.609 21.869 1.00 37.08 ? 190 GLY B N 1 ATOM 6440 C CA . GLY B 1 190 ? -0.489 -13.157 20.902 1.00 36.70 ? 190 GLY B CA 1 ATOM 6441 C C . GLY B 1 190 ? -0.829 -12.232 19.750 1.00 35.87 ? 190 GLY B C 1 ATOM 6442 O O . GLY B 1 190 ? -1.682 -12.555 18.920 1.00 35.20 ? 190 GLY B O 1 ATOM 6443 N N . PHE B 1 191 ? -0.167 -11.076 19.700 1.00 34.93 ? 191 PHE B N 1 ATOM 6444 C CA . PHE B 1 191 ? -0.369 -10.114 18.620 1.00 33.33 ? 191 PHE B CA 1 ATOM 6445 C C . PHE B 1 191 ? 0.577 -10.400 17.465 1.00 32.91 ? 191 PHE B C 1 ATOM 6446 O O . PHE B 1 191 ? 1.761 -10.660 17.694 1.00 32.53 ? 191 PHE B O 1 ATOM 6447 C CB . PHE B 1 191 ? -0.173 -8.683 19.138 1.00 32.40 ? 191 PHE B CB 1 ATOM 6448 C CG . PHE B 1 191 ? -1.153 -8.299 20.203 1.00 31.67 ? 191 PHE B CG 1 ATOM 6449 C CD1 . PHE B 1 191 ? -2.441 -7.888 19.864 1.00 31.34 ? 191 PHE B CD1 1 ATOM 6450 C CD2 . PHE B 1 191 ? -0.805 -8.379 21.547 1.00 31.73 ? 191 PHE B CD2 1 ATOM 6451 C CE1 . PHE B 1 191 ? -3.355 -7.544 20.849 1.00 31.05 ? 191 PHE B CE1 1 ATOM 6452 C CE2 . PHE B 1 191 ? -1.719 -8.049 22.538 1.00 31.29 ? 191 PHE B CE2 1 ATOM 6453 C CZ . PHE B 1 191 ? -2.995 -7.629 22.184 1.00 31.70 ? 191 PHE B CZ 1 ATOM 6454 N N . THR B 1 192 ? 0.055 -10.347 16.235 1.00 32.38 ? 192 THR B N 1 ATOM 6455 C CA . THR B 1 192 ? 0.886 -10.493 15.027 1.00 32.53 ? 192 THR B CA 1 ATOM 6456 C C . THR B 1 192 ? 2.026 -9.475 14.983 1.00 31.10 ? 192 THR B C 1 ATOM 6457 O O . THR B 1 192 ? 3.109 -9.782 14.482 1.00 30.44 ? 192 THR B O 1 ATOM 6458 C CB . THR B 1 192 ? 0.073 -10.413 13.710 1.00 33.89 ? 192 THR B CB 1 ATOM 6459 O OG1 . THR B 1 192 ? -0.581 -9.140 13.615 1.00 34.95 ? 192 THR B OG1 1 ATOM 6460 C CG2 . THR B 1 192 ? -0.978 -11.522 13.656 1.00 34.91 ? 192 THR B CG2 1 ATOM 6461 N N . ASP B 1 193 ? 1.773 -8.275 15.519 1.00 30.40 ? 193 ASP B N 1 ATOM 6462 C CA . ASP B 1 193 ? 2.794 -7.223 15.664 1.00 29.30 ? 193 ASP B CA 1 ATOM 6463 C C . ASP B 1 193 ? 2.320 -6.074 16.569 1.00 28.11 ? 193 ASP B C 1 ATOM 6464 O O . ASP B 1 193 ? 1.157 -6.026 16.988 1.00 28.79 ? 193 ASP B O 1 ATOM 6465 C CB . ASP B 1 193 ? 3.235 -6.676 14.293 1.00 29.61 ? 193 ASP B CB 1 ATOM 6466 C CG . ASP B 1 193 ? 2.100 -6.015 13.532 1.00 31.21 ? 193 ASP B CG 1 ATOM 6467 O OD1 . ASP B 1 193 ? 1.607 -4.952 13.980 1.00 31.60 ? 193 ASP B OD1 1 ATOM 6468 O OD2 . ASP B 1 193 ? 1.694 -6.554 12.481 1.00 31.62 ? 193 ASP B OD2 1 ATOM 6469 N N . THR B 1 194 ? 3.224 -5.145 16.859 1.00 27.13 ? 194 THR B N 1 ATOM 6470 C CA . THR B 1 194 ? 2.884 -3.983 17.695 1.00 26.49 ? 194 THR B CA 1 ATOM 6471 C C . THR B 1 194 ? 1.708 -3.162 17.168 1.00 26.17 ? 194 THR B C 1 ATOM 6472 O O . THR B 1 194 ? 0.835 -2.761 17.943 1.00 26.90 ? 194 THR B O 1 ATOM 6473 C CB . THR B 1 194 ? 4.092 -3.064 17.910 1.00 25.84 ? 194 THR B CB 1 ATOM 6474 O OG1 . THR B 1 194 ? 5.199 -3.858 18.343 1.00 25.42 ? 194 THR B OG1 1 ATOM 6475 C CG2 . THR B 1 194 ? 3.771 -2.004 18.975 1.00 25.56 ? 194 THR B CG2 1 ATOM 6476 N N . GLY B 1 195 ? 1.697 -2.909 15.864 1.00 26.27 ? 195 GLY B N 1 ATOM 6477 C CA . GLY B 1 195 ? 0.598 -2.202 15.217 1.00 26.77 ? 195 GLY B CA 1 ATOM 6478 C C . GLY B 1 195 ? -0.734 -2.830 15.585 1.00 27.64 ? 195 GLY B C 1 ATOM 6479 O O . GLY B 1 195 ? -1.679 -2.123 15.931 1.00 28.22 ? 195 GLY B O 1 ATOM 6480 N N . ALA B 1 196 ? -0.804 -4.158 15.531 1.00 27.99 ? 196 ALA B N 1 ATOM 6481 C CA . ALA B 1 196 ? -2.039 -4.884 15.864 1.00 28.75 ? 196 ALA B CA 1 ATOM 6482 C C . ALA B 1 196 ? -2.452 -4.694 17.327 1.00 28.88 ? 196 ALA B C 1 ATOM 6483 O O . ALA B 1 196 ? -3.642 -4.599 17.637 1.00 29.73 ? 196 ALA B O 1 ATOM 6484 C CB . ALA B 1 196 ? -1.905 -6.365 15.517 1.00 29.65 ? 196 ALA B CB 1 ATOM 6485 N N . TYR B 1 197 ? -1.467 -4.615 18.220 1.00 28.73 ? 197 TYR B N 1 ATOM 6486 C CA . TYR B 1 197 ? -1.720 -4.280 19.616 1.00 29.28 ? 197 TYR B CA 1 ATOM 6487 C C . TYR B 1 197 ? -2.307 -2.877 19.764 1.00 28.40 ? 197 TYR B C 1 ATOM 6488 O O . TYR B 1 197 ? -3.298 -2.679 20.463 1.00 27.06 ? 197 TYR B O 1 ATOM 6489 C CB . TYR B 1 197 ? -0.434 -4.366 20.446 1.00 30.56 ? 197 TYR B CB 1 ATOM 6490 C CG . TYR B 1 197 ? -0.613 -3.841 21.853 1.00 32.99 ? 197 TYR B CG 1 ATOM 6491 C CD1 . TYR B 1 197 ? -1.559 -4.407 22.706 1.00 33.09 ? 197 TYR B CD1 1 ATOM 6492 C CD2 . TYR B 1 197 ? 0.155 -2.777 22.331 1.00 33.94 ? 197 TYR B CD2 1 ATOM 6493 C CE1 . TYR B 1 197 ? -1.736 -3.937 23.990 1.00 34.82 ? 197 TYR B CE1 1 ATOM 6494 C CE2 . TYR B 1 197 ? -0.017 -2.300 23.628 1.00 35.50 ? 197 TYR B CE2 1 ATOM 6495 C CZ . TYR B 1 197 ? -0.964 -2.888 24.447 1.00 36.07 ? 197 TYR B CZ 1 ATOM 6496 O OH . TYR B 1 197 ? -1.161 -2.439 25.730 1.00 38.93 ? 197 TYR B OH 1 ATOM 6497 N N . TRP B 1 198 ? -1.678 -1.904 19.108 1.00 27.21 ? 198 TRP B N 1 ATOM 6498 C CA . TRP B 1 198 ? -2.154 -0.522 19.149 1.00 27.09 ? 198 TRP B CA 1 ATOM 6499 C C . TRP B 1 198 ? -3.608 -0.423 18.680 1.00 28.02 ? 198 TRP B C 1 ATOM 6500 O O . TRP B 1 198 ? -4.429 0.233 19.333 1.00 29.19 ? 198 TRP B O 1 ATOM 6501 C CB . TRP B 1 198 ? -1.235 0.388 18.315 1.00 25.68 ? 198 TRP B CB 1 ATOM 6502 C CG . TRP B 1 198 ? 0.093 0.688 18.962 1.00 24.65 ? 198 TRP B CG 1 ATOM 6503 C CD1 . TRP B 1 198 ? 0.598 0.138 20.110 1.00 24.58 ? 198 TRP B CD1 1 ATOM 6504 C CD2 . TRP B 1 198 ? 1.097 1.600 18.483 1.00 24.28 ? 198 TRP B CD2 1 ATOM 6505 N NE1 . TRP B 1 198 ? 1.842 0.658 20.376 1.00 24.12 ? 198 TRP B NE1 1 ATOM 6506 C CE2 . TRP B 1 198 ? 2.172 1.556 19.394 1.00 23.92 ? 198 TRP B CE2 1 ATOM 6507 C CE3 . TRP B 1 198 ? 1.187 2.454 17.368 1.00 24.36 ? 198 TRP B CE3 1 ATOM 6508 C CZ2 . TRP B 1 198 ? 3.320 2.341 19.238 1.00 23.32 ? 198 TRP B CZ2 1 ATOM 6509 C CZ3 . TRP B 1 198 ? 2.333 3.236 17.215 1.00 22.61 ? 198 TRP B CZ3 1 ATOM 6510 C CH2 . TRP B 1 198 ? 3.378 3.171 18.141 1.00 22.81 ? 198 TRP B CH2 1 ATOM 6511 N N . ARG B 1 199 ? -3.928 -1.098 17.582 1.00 28.36 ? 199 ARG B N 1 ATOM 6512 C CA . ARG B 1 199 ? -5.269 -1.039 16.999 1.00 30.46 ? 199 ARG B CA 1 ATOM 6513 C C . ARG B 1 199 ? -6.305 -1.687 17.915 1.00 32.63 ? 199 ARG B C 1 ATOM 6514 O O . ARG B 1 199 ? -7.475 -1.295 17.903 1.00 33.38 ? 199 ARG B O 1 ATOM 6515 C CB . ARG B 1 199 ? -5.314 -1.699 15.614 1.00 29.99 ? 199 ARG B CB 1 ATOM 6516 C CG . ARG B 1 199 ? -4.558 -0.957 14.524 1.00 28.73 ? 199 ARG B CG 1 ATOM 6517 C CD . ARG B 1 199 ? -4.826 -1.542 13.146 1.00 29.51 ? 199 ARG B CD 1 ATOM 6518 N NE . ARG B 1 199 ? -4.357 -2.925 12.999 1.00 29.89 ? 199 ARG B NE 1 ATOM 6519 C CZ . ARG B 1 199 ? -3.112 -3.274 12.675 1.00 30.46 ? 199 ARG B CZ 1 ATOM 6520 N NH1 . ARG B 1 199 ? -2.190 -2.348 12.459 1.00 28.06 ? 199 ARG B NH1 1 ATOM 6521 N NH2 . ARG B 1 199 ? -2.784 -4.559 12.571 1.00 31.18 ? 199 ARG B NH2 1 ATOM 6522 N N . SER B 1 200 ? -5.868 -2.661 18.713 1.00 34.24 ? 200 SER B N 1 ATOM 6523 C CA . SER B 1 200 ? -6.775 -3.423 19.584 1.00 36.32 ? 200 SER B CA 1 ATOM 6524 C C . SER B 1 200 ? -7.465 -2.560 20.647 1.00 37.27 ? 200 SER B C 1 ATOM 6525 O O . SER B 1 200 ? -8.566 -2.889 21.097 1.00 37.47 ? 200 SER B O 1 ATOM 6526 C CB . SER B 1 200 ? -6.047 -4.607 20.232 1.00 36.12 ? 200 SER B CB 1 ATOM 6527 O OG . SER B 1 200 ? -5.102 -4.174 21.193 1.00 36.12 ? 200 SER B OG 1 ATOM 6528 N N . TRP B 1 201 ? -6.835 -1.443 21.016 1.00 37.82 ? 201 TRP B N 1 ATOM 6529 C CA . TRP B 1 201 ? -7.406 -0.511 21.991 1.00 38.60 ? 201 TRP B CA 1 ATOM 6530 C C . TRP B 1 201 ? -8.766 0.054 21.571 1.00 37.81 ? 201 TRP B C 1 ATOM 6531 O O . TRP B 1 201 ? -9.506 0.586 22.401 1.00 39.44 ? 201 TRP B O 1 ATOM 6532 C CB . TRP B 1 201 ? -6.454 0.653 22.267 1.00 40.93 ? 201 TRP B CB 1 ATOM 6533 C CG . TRP B 1 201 ? -5.099 0.268 22.781 1.00 41.82 ? 201 TRP B CG 1 ATOM 6534 C CD1 . TRP B 1 201 ? -4.770 -0.844 23.504 1.00 43.76 ? 201 TRP B CD1 1 ATOM 6535 C CD2 . TRP B 1 201 ? -3.894 1.023 22.636 1.00 42.89 ? 201 TRP B CD2 1 ATOM 6536 N NE1 . TRP B 1 201 ? -3.425 -0.833 23.804 1.00 43.22 ? 201 TRP B NE1 1 ATOM 6537 C CE2 . TRP B 1 201 ? -2.865 0.302 23.281 1.00 43.25 ? 201 TRP B CE2 1 ATOM 6538 C CE3 . TRP B 1 201 ? -3.579 2.242 22.014 1.00 43.74 ? 201 TRP B CE3 1 ATOM 6539 C CZ2 . TRP B 1 201 ? -1.542 0.764 23.331 1.00 43.69 ? 201 TRP B CZ2 1 ATOM 6540 C CZ3 . TRP B 1 201 ? -2.262 2.696 22.061 1.00 43.16 ? 201 TRP B CZ3 1 ATOM 6541 C CH2 . TRP B 1 201 ? -1.261 1.955 22.716 1.00 43.28 ? 201 TRP B CH2 1 ATOM 6542 N N . TYR B 1 202 ? -9.092 -0.056 20.291 1.00 34.87 ? 202 TYR B N 1 ATOM 6543 C CA . TYR B 1 202 ? -10.354 0.464 19.789 1.00 35.30 ? 202 TYR B CA 1 ATOM 6544 C C . TYR B 1 202 ? -11.484 -0.562 19.767 1.00 37.78 ? 202 TYR B C 1 ATOM 6545 O O . TYR B 1 202 ? -12.616 -0.219 19.433 1.00 38.78 ? 202 TYR B O 1 ATOM 6546 C CB . TYR B 1 202 ? -10.149 1.124 18.426 1.00 32.06 ? 202 TYR B CB 1 ATOM 6547 C CG . TYR B 1 202 ? -9.349 2.389 18.581 1.00 30.68 ? 202 TYR B CG 1 ATOM 6548 C CD1 . TYR B 1 202 ? -7.956 2.356 18.603 1.00 29.72 ? 202 TYR B CD1 1 ATOM 6549 C CD2 . TYR B 1 202 ? -9.990 3.617 18.776 1.00 30.23 ? 202 TYR B CD2 1 ATOM 6550 C CE1 . TYR B 1 202 ? -7.225 3.519 18.778 1.00 28.30 ? 202 TYR B CE1 1 ATOM 6551 C CE2 . TYR B 1 202 ? -9.272 4.780 18.959 1.00 27.99 ? 202 TYR B CE2 1 ATOM 6552 C CZ . TYR B 1 202 ? -7.896 4.724 18.952 1.00 27.86 ? 202 TYR B CZ 1 ATOM 6553 O OH . TYR B 1 202 ? -7.191 5.880 19.139 1.00 26.46 ? 202 TYR B OH 1 ATOM 6554 N N . ASN B 1 203 ? -11.171 -1.804 20.142 1.00 41.70 ? 203 ASN B N 1 ATOM 6555 C CA . ASN B 1 203 ? -12.140 -2.920 20.154 1.00 43.79 ? 203 ASN B CA 1 ATOM 6556 C C . ASN B 1 203 ? -13.190 -2.840 19.051 1.00 44.63 ? 203 ASN B C 1 ATOM 6557 O O . ASN B 1 203 ? -14.389 -2.834 19.320 1.00 45.75 ? 203 ASN B O 1 ATOM 6558 C CB . ASN B 1 203 ? -12.828 -3.028 21.519 1.00 46.43 ? 203 ASN B CB 1 ATOM 6559 C CG . ASN B 1 203 ? -11.865 -3.392 22.636 1.00 49.05 ? 203 ASN B CG 1 ATOM 6560 O OD1 . ASN B 1 203 ? -10.977 -4.232 22.468 1.00 52.00 ? 203 ASN B OD1 1 ATOM 6561 N ND2 . ASN B 1 203 ? -12.044 -2.763 23.792 1.00 50.03 ? 203 ASN B ND2 1 ATOM 6562 N N . SER B 1 204 ? -12.729 -2.735 17.812 1.00 44.30 ? 204 SER B N 1 ATOM 6563 C CA . SER B 1 204 ? -13.616 -2.730 16.668 1.00 46.23 ? 204 SER B CA 1 ATOM 6564 C C . SER B 1 204 ? -13.038 -3.712 15.677 1.00 47.35 ? 204 SER B C 1 ATOM 6565 O O . SER B 1 204 ? -11.944 -3.483 15.149 1.00 46.08 ? 204 SER B O 1 ATOM 6566 C CB . SER B 1 204 ? -13.714 -1.343 16.030 1.00 47.55 ? 204 SER B CB 1 ATOM 6567 O OG . SER B 1 204 ? -13.810 -0.323 17.007 1.00 49.58 ? 204 SER B OG 1 ATOM 6568 N N . PRO B 1 205 ? -13.765 -4.818 15.423 1.00 47.52 ? 205 PRO B N 1 ATOM 6569 C CA . PRO B 1 205 ? -13.294 -5.849 14.497 1.00 47.24 ? 205 PRO B CA 1 ATOM 6570 C C . PRO B 1 205 ? -13.073 -5.268 13.109 1.00 46.14 ? 205 PRO B C 1 ATOM 6571 O O . PRO B 1 205 ? -12.324 -5.826 12.311 1.00 48.00 ? 205 PRO B O 1 ATOM 6572 C CB . PRO B 1 205 ? -14.454 -6.856 14.471 1.00 47.80 ? 205 PRO B CB 1 ATOM 6573 C CG . PRO B 1 205 ? -15.652 -6.081 14.912 1.00 48.51 ? 205 PRO B CG 1 ATOM 6574 C CD . PRO B 1 205 ? -15.125 -5.100 15.920 1.00 48.81 ? 205 PRO B CD 1 ATOM 6575 N N . THR B 1 206 ? -13.718 -4.139 12.846 1.00 44.84 ? 206 THR B N 1 ATOM 6576 C CA . THR B 1 206 ? -13.698 -3.521 11.530 1.00 43.62 ? 206 THR B CA 1 ATOM 6577 C C . THR B 1 206 ? -13.049 -2.105 11.541 1.00 41.08 ? 206 THR B C 1 ATOM 6578 O O . THR B 1 206 ? -13.301 -1.285 10.650 1.00 40.42 ? 206 THR B O 1 ATOM 6579 C CB . THR B 1 206 ? -15.127 -3.568 10.909 1.00 45.25 ? 206 THR B CB 1 ATOM 6580 O OG1 . THR B 1 206 ? -15.095 -3.111 9.556 1.00 47.29 ? 206 THR B OG1 1 ATOM 6581 C CG2 . THR B 1 206 ? -16.135 -2.747 11.720 1.00 44.57 ? 206 THR B CG2 1 ATOM 6582 N N . PHE B 1 207 ? -12.196 -1.855 12.542 1.00 38.39 ? 207 PHE B N 1 ATOM 6583 C CA . PHE B 1 207 ? -11.498 -0.559 12.745 1.00 36.78 ? 207 PHE B CA 1 ATOM 6584 C C . PHE B 1 207 ? -10.983 0.067 11.445 1.00 36.24 ? 207 PHE B C 1 ATOM 6585 O O . PHE B 1 207 ? -11.419 1.153 11.060 1.00 35.09 ? 207 PHE B O 1 ATOM 6586 C CB . PHE B 1 207 ? -10.349 -0.710 13.773 1.00 33.99 ? 207 PHE B CB 1 ATOM 6587 C CG . PHE B 1 207 ? -9.760 0.604 14.264 1.00 32.06 ? 207 PHE B CG 1 ATOM 6588 C CD1 . PHE B 1 207 ? -10.575 1.664 14.645 1.00 31.82 ? 207 PHE B CD1 1 ATOM 6589 C CD2 . PHE B 1 207 ? -8.378 0.759 14.381 1.00 31.88 ? 207 PHE B CD2 1 ATOM 6590 C CE1 . PHE B 1 207 ? -10.031 2.858 15.099 1.00 30.87 ? 207 PHE B CE1 1 ATOM 6591 C CE2 . PHE B 1 207 ? -7.824 1.951 14.835 1.00 30.63 ? 207 PHE B CE2 1 ATOM 6592 C CZ . PHE B 1 207 ? -8.651 3.000 15.202 1.00 31.00 ? 207 PHE B CZ 1 ATOM 6593 N N . GLU B 1 208 ? -10.081 -0.634 10.763 1.00 38.03 ? 208 GLU B N 1 ATOM 6594 C CA . GLU B 1 208 ? -9.443 -0.109 9.552 1.00 39.42 ? 208 GLU B CA 1 ATOM 6595 C C . GLU B 1 208 ? -10.428 0.212 8.424 1.00 39.89 ? 208 GLU B C 1 ATOM 6596 O O . GLU B 1 208 ? -10.286 1.239 7.760 1.00 38.95 ? 208 GLU B O 1 ATOM 6597 C CB . GLU B 1 208 ? -8.304 -1.023 9.095 1.00 42.04 ? 208 GLU B CB 1 ATOM 6598 C CG . GLU B 1 208 ? -7.219 -1.153 10.158 1.00 43.44 ? 208 GLU B CG 1 ATOM 6599 C CD . GLU B 1 208 ? -6.223 -2.257 9.870 1.00 46.61 ? 208 GLU B CD 1 ATOM 6600 O OE1 . GLU B 1 208 ? -5.344 -2.063 9.001 1.00 45.78 ? 208 GLU B OE1 1 ATOM 6601 O OE2 . GLU B 1 208 ? -6.312 -3.314 10.532 1.00 48.94 ? 208 GLU B OE2 1 ATOM 6602 N N . ASP B 1 209 ? -11.433 -0.649 8.232 1.00 39.29 ? 209 ASP B N 1 ATOM 6603 C CA . ASP B 1 209 ? -12.518 -0.386 7.278 1.00 38.68 ? 209 ASP B CA 1 ATOM 6604 C C . ASP B 1 209 ? -13.351 0.843 7.661 1.00 37.24 ? 209 ASP B C 1 ATOM 6605 O O . ASP B 1 209 ? -13.677 1.669 6.807 1.00 38.52 ? 209 ASP B O 1 ATOM 6606 C CB . ASP B 1 209 ? -13.435 -1.612 7.125 1.00 40.99 ? 209 ASP B CB 1 ATOM 6607 C CG . ASP B 1 209 ? -12.743 -2.793 6.455 1.00 42.45 ? 209 ASP B CG 1 ATOM 6608 O OD1 . ASP B 1 209 ? -11.722 -2.586 5.761 1.00 42.86 ? 209 ASP B OD1 1 ATOM 6609 O OD2 . ASP B 1 209 ? -13.224 -3.936 6.617 1.00 43.11 ? 209 ASP B OD2 1 ATOM 6610 N N . ASP B 1 210 ? -13.698 0.951 8.942 1.00 36.88 ? 210 ASP B N 1 ATOM 6611 C CA . ASP B 1 210 ? -14.432 2.104 9.470 1.00 35.12 ? 210 ASP B CA 1 ATOM 6612 C C . ASP B 1 210 ? -13.684 3.406 9.211 1.00 33.22 ? 210 ASP B C 1 ATOM 6613 O O . ASP B 1 210 ? -14.273 4.381 8.743 1.00 31.54 ? 210 ASP B O 1 ATOM 6614 C CB . ASP B 1 210 ? -14.699 1.929 10.963 1.00 36.81 ? 210 ASP B CB 1 ATOM 6615 C CG . ASP B 1 210 ? -15.577 0.731 11.258 1.00 39.95 ? 210 ASP B CG 1 ATOM 6616 O OD1 . ASP B 1 210 ? -16.330 0.291 10.363 1.00 42.08 ? 210 ASP B OD1 1 ATOM 6617 O OD2 . ASP B 1 210 ? -15.512 0.215 12.388 1.00 42.77 ? 210 ASP B OD2 1 ATOM 6618 N N . LEU B 1 211 ? -12.378 3.395 9.489 1.00 31.69 ? 211 LEU B N 1 ATOM 6619 C CA . LEU B 1 211 ? -11.511 4.540 9.226 1.00 31.01 ? 211 LEU B CA 1 ATOM 6620 C C . LEU B 1 211 ? -11.515 4.915 7.745 1.00 30.86 ? 211 LEU B C 1 ATOM 6621 O O . LEU B 1 211 ? -11.668 6.089 7.397 1.00 29.23 ? 211 LEU B O 1 ATOM 6622 C CB . LEU B 1 211 ? -10.077 4.251 9.697 1.00 30.74 ? 211 LEU B CB 1 ATOM 6623 C CG . LEU B 1 211 ? -9.808 3.947 11.176 1.00 30.31 ? 211 LEU B CG 1 ATOM 6624 C CD1 . LEU B 1 211 ? -8.370 3.480 11.388 1.00 30.00 ? 211 LEU B CD1 1 ATOM 6625 C CD2 . LEU B 1 211 ? -10.130 5.140 12.066 1.00 30.56 ? 211 LEU B CD2 1 ATOM 6626 N N . GLU B 1 212 ? -11.347 3.918 6.871 1.00 32.11 ? 212 GLU B N 1 ATOM 6627 C CA . GLU B 1 212 ? -11.316 4.176 5.432 1.00 33.30 ? 212 GLU B CA 1 ATOM 6628 C C . GLU B 1 212 ? -12.633 4.779 4.931 1.00 32.06 ? 212 GLU B C 1 ATOM 6629 O O . GLU B 1 212 ? -12.613 5.717 4.127 1.00 31.39 ? 212 GLU B O 1 ATOM 6630 C CB . GLU B 1 212 ? -10.885 2.932 4.630 1.00 36.78 ? 212 GLU B CB 1 ATOM 6631 C CG . GLU B 1 212 ? -11.241 2.935 3.143 1.00 41.24 ? 212 GLU B CG 1 ATOM 6632 C CD . GLU B 1 212 ? -10.555 4.024 2.306 1.00 46.26 ? 212 GLU B CD 1 ATOM 6633 O OE1 . GLU B 1 212 ? -9.979 4.994 2.863 1.00 48.33 ? 212 GLU B OE1 1 ATOM 6634 O OE2 . GLU B 1 212 ? -10.608 3.913 1.053 1.00 51.36 ? 212 GLU B OE2 1 ATOM 6635 N N . HIS B 1 213 ? -13.759 4.252 5.423 1.00 32.80 ? 213 HIS B N 1 ATOM 6636 C CA A HIS B 1 213 ? -15.086 4.772 5.077 0.50 33.11 ? 213 HIS B CA 1 ATOM 6637 C CA B HIS B 1 213 ? -15.082 4.779 5.066 0.50 33.10 ? 213 HIS B CA 1 ATOM 6638 C C . HIS B 1 213 ? -15.249 6.225 5.531 1.00 32.58 ? 213 HIS B C 1 ATOM 6639 O O . HIS B 1 213 ? -15.844 7.043 4.828 1.00 33.35 ? 213 HIS B O 1 ATOM 6640 C CB A HIS B 1 213 ? -16.199 3.897 5.674 0.50 34.51 ? 213 HIS B CB 1 ATOM 6641 C CB B HIS B 1 213 ? -16.210 3.900 5.626 0.50 34.41 ? 213 HIS B CB 1 ATOM 6642 C CG A HIS B 1 213 ? -16.323 2.547 5.033 0.50 35.57 ? 213 HIS B CG 1 ATOM 6643 C CG B HIS B 1 213 ? -17.563 4.227 5.069 0.50 35.58 ? 213 HIS B CG 1 ATOM 6644 N ND1 A HIS B 1 213 ? -16.706 1.422 5.734 0.50 36.43 ? 213 HIS B ND1 1 ATOM 6645 N ND1 B HIS B 1 213 ? -17.807 4.327 3.716 0.50 36.10 ? 213 HIS B ND1 1 ATOM 6646 C CD2 A HIS B 1 213 ? -16.112 2.140 3.758 0.50 35.93 ? 213 HIS B CD2 1 ATOM 6647 C CD2 B HIS B 1 213 ? -18.747 4.467 5.681 0.50 36.56 ? 213 HIS B CD2 1 ATOM 6648 C CE1 A HIS B 1 213 ? -16.729 0.383 4.918 0.50 36.46 ? 213 HIS B CE1 1 ATOM 6649 C CE1 B HIS B 1 213 ? -19.079 4.625 3.519 0.50 37.16 ? 213 HIS B CE1 1 ATOM 6650 N NE2 A HIS B 1 213 ? -16.370 0.791 3.713 0.50 36.18 ? 213 HIS B NE2 1 ATOM 6651 N NE2 B HIS B 1 213 ? -19.671 4.717 4.696 0.50 37.13 ? 213 HIS B NE2 1 ATOM 6652 N N . LEU B 1 214 ? -14.725 6.542 6.710 1.00 30.76 ? 214 LEU B N 1 ATOM 6653 C CA . LEU B 1 214 ? -14.759 7.926 7.193 1.00 30.82 ? 214 LEU B CA 1 ATOM 6654 C C . LEU B 1 214 ? -13.916 8.826 6.279 1.00 29.85 ? 214 LEU B C 1 ATOM 6655 O O . LEU B 1 214 ? -14.372 9.901 5.871 1.00 29.32 ? 214 LEU B O 1 ATOM 6656 C CB . LEU B 1 214 ? -14.282 8.032 8.653 1.00 29.98 ? 214 LEU B CB 1 ATOM 6657 C CG . LEU B 1 214 ? -15.130 7.455 9.792 1.00 30.94 ? 214 LEU B CG 1 ATOM 6658 C CD1 . LEU B 1 214 ? -14.282 7.227 11.035 1.00 29.59 ? 214 LEU B CD1 1 ATOM 6659 C CD2 . LEU B 1 214 ? -16.320 8.350 10.120 1.00 31.50 ? 214 LEU B CD2 1 ATOM 6660 N N . TYR B 1 215 ? -12.702 8.382 5.932 1.00 29.30 ? 215 TYR B N 1 ATOM 6661 C CA . TYR B 1 215 ? -11.854 9.197 5.052 1.00 28.69 ? 215 TYR B CA 1 ATOM 6662 C C . TYR B 1 215 ? -12.460 9.474 3.658 1.00 29.23 ? 215 TYR B C 1 ATOM 6663 O O . TYR B 1 215 ? -12.323 10.577 3.126 1.00 28.23 ? 215 TYR B O 1 ATOM 6664 C CB . TYR B 1 215 ? -10.388 8.705 4.965 1.00 28.62 ? 215 TYR B CB 1 ATOM 6665 C CG . TYR B 1 215 ? -9.518 9.803 4.411 1.00 28.32 ? 215 TYR B CG 1 ATOM 6666 C CD1 . TYR B 1 215 ? -9.095 10.853 5.236 1.00 29.03 ? 215 TYR B CD1 1 ATOM 6667 C CD2 . TYR B 1 215 ? -9.180 9.847 3.052 1.00 28.42 ? 215 TYR B CD2 1 ATOM 6668 C CE1 . TYR B 1 215 ? -8.342 11.898 4.734 1.00 28.60 ? 215 TYR B CE1 1 ATOM 6669 C CE2 . TYR B 1 215 ? -8.429 10.898 2.541 1.00 28.64 ? 215 TYR B CE2 1 ATOM 6670 C CZ . TYR B 1 215 ? -8.010 11.914 3.392 1.00 28.87 ? 215 TYR B CZ 1 ATOM 6671 O OH . TYR B 1 215 ? -7.273 12.975 2.918 1.00 30.77 ? 215 TYR B OH 1 ATOM 6672 N N . GLN B 1 216 ? -13.150 8.484 3.087 1.00 30.76 ? 216 GLN B N 1 ATOM 6673 C CA . GLN B 1 216 ? -13.826 8.662 1.793 1.00 32.69 ? 216 GLN B CA 1 ATOM 6674 C C . GLN B 1 216 ? -14.830 9.822 1.770 1.00 32.23 ? 216 GLN B C 1 ATOM 6675 O O . GLN B 1 216 ? -14.935 10.539 0.775 1.00 31.35 ? 216 GLN B O 1 ATOM 6676 C CB . GLN B 1 216 ? -14.523 7.372 1.352 1.00 36.21 ? 216 GLN B CB 1 ATOM 6677 C CG . GLN B 1 216 ? -13.577 6.289 0.865 1.00 39.59 ? 216 GLN B CG 1 ATOM 6678 C CD . GLN B 1 216 ? -14.280 4.960 0.624 1.00 44.67 ? 216 GLN B CD 1 ATOM 6679 O OE1 . GLN B 1 216 ? -15.455 4.787 0.968 1.00 46.82 ? 216 GLN B OE1 1 ATOM 6680 N NE2 . GLN B 1 216 ? -13.559 4.010 0.034 1.00 45.27 ? 216 GLN B NE2 1 ATOM 6681 N N . GLN B 1 217 ? -15.558 10.012 2.867 1.00 32.44 ? 217 GLN B N 1 ATOM 6682 C CA . GLN B 1 217 ? -16.523 11.105 2.950 1.00 33.10 ? 217 GLN B CA 1 ATOM 6683 C C . GLN B 1 217 ? -15.844 12.447 3.175 1.00 30.70 ? 217 GLN B C 1 ATOM 6684 O O . GLN B 1 217 ? -16.377 13.489 2.809 1.00 29.85 ? 217 GLN B O 1 ATOM 6685 C CB . GLN B 1 217 ? -17.521 10.845 4.067 1.00 36.20 ? 217 GLN B CB 1 ATOM 6686 C CG . GLN B 1 217 ? -18.379 9.619 3.825 1.00 40.17 ? 217 GLN B CG 1 ATOM 6687 C CD . GLN B 1 217 ? -18.644 8.870 5.107 1.00 43.75 ? 217 GLN B CD 1 ATOM 6688 O OE1 . GLN B 1 217 ? -18.937 9.474 6.140 1.00 46.09 ? 217 GLN B OE1 1 ATOM 6689 N NE2 . GLN B 1 217 ? -18.537 7.545 5.053 1.00 45.34 ? 217 GLN B NE2 1 ATOM 6690 N N . LEU B 1 218 ? -14.661 12.408 3.781 1.00 29.24 ? 218 LEU B N 1 ATOM 6691 C CA . LEU B 1 218 ? -13.918 13.617 4.125 1.00 26.96 ? 218 LEU B CA 1 ATOM 6692 C C . LEU B 1 218 ? -13.034 14.103 2.977 1.00 26.26 ? 218 LEU B C 1 ATOM 6693 O O . LEU B 1 218 ? -12.795 15.302 2.846 1.00 25.72 ? 218 LEU B O 1 ATOM 6694 C CB . LEU B 1 218 ? -13.082 13.376 5.397 1.00 26.20 ? 218 LEU B CB 1 ATOM 6695 C CG . LEU B 1 218 ? -13.894 13.022 6.653 1.00 25.75 ? 218 LEU B CG 1 ATOM 6696 C CD1 . LEU B 1 218 ? -13.012 12.415 7.729 1.00 25.24 ? 218 LEU B CD1 1 ATOM 6697 C CD2 . LEU B 1 218 ? -14.659 14.223 7.201 1.00 26.72 ? 218 LEU B CD2 1 ATOM 6698 N N . GLU B 1 219 ? -12.564 13.175 2.139 1.00 26.24 ? 219 GLU B N 1 ATOM 6699 C CA . GLU B 1 219 ? -11.628 13.506 1.051 1.00 26.29 ? 219 GLU B CA 1 ATOM 6700 C C . GLU B 1 219 ? -11.983 14.708 0.127 1.00 26.02 ? 219 GLU B C 1 ATOM 6701 O O . GLU B 1 219 ? -11.114 15.560 -0.112 1.00 25.58 ? 219 GLU B O 1 ATOM 6702 C CB . GLU B 1 219 ? -11.254 12.261 0.234 1.00 28.49 ? 219 GLU B CB 1 ATOM 6703 C CG . GLU B 1 219 ? -10.166 12.532 -0.800 1.00 30.92 ? 219 GLU B CG 1 ATOM 6704 C CD . GLU B 1 219 ? -9.458 11.276 -1.281 1.00 33.88 ? 219 GLU B CD 1 ATOM 6705 O OE1 . GLU B 1 219 ? -10.015 10.163 -1.119 1.00 34.38 ? 219 GLU B OE1 1 ATOM 6706 O OE2 . GLU B 1 219 ? -8.327 11.407 -1.812 1.00 36.72 ? 219 GLU B OE2 1 ATOM 6707 N N . PRO B 1 220 ? -13.241 14.788 -0.389 1.00 25.97 ? 220 PRO B N 1 ATOM 6708 C CA . PRO B 1 220 ? -13.595 15.927 -1.268 1.00 25.75 ? 220 PRO B CA 1 ATOM 6709 C C . PRO B 1 220 ? -13.358 17.286 -0.620 1.00 25.32 ? 220 PRO B C 1 ATOM 6710 O O . PRO B 1 220 ? -12.912 18.234 -1.286 1.00 24.83 ? 220 PRO B O 1 ATOM 6711 C CB . PRO B 1 220 ? -15.101 15.727 -1.529 1.00 26.49 ? 220 PRO B CB 1 ATOM 6712 C CG . PRO B 1 220 ? -15.335 14.271 -1.321 1.00 26.80 ? 220 PRO B CG 1 ATOM 6713 C CD . PRO B 1 220 ? -14.348 13.815 -0.278 1.00 26.25 ? 220 PRO B CD 1 ATOM 6714 N N . LEU B 1 221 ? -13.656 17.369 0.674 1.00 25.44 ? 221 LEU B N 1 ATOM 6715 C CA . LEU B 1 221 ? -13.408 18.568 1.460 1.00 25.41 ? 221 LEU B CA 1 ATOM 6716 C C . LEU B 1 221 ? -11.929 18.924 1.431 1.00 24.64 ? 221 LEU B C 1 ATOM 6717 O O . LEU B 1 221 ? -11.567 20.058 1.124 1.00 25.43 ? 221 LEU B O 1 ATOM 6718 C CB . LEU B 1 221 ? -13.888 18.380 2.903 1.00 25.84 ? 221 LEU B CB 1 ATOM 6719 C CG . LEU B 1 221 ? -15.331 18.791 3.202 1.00 26.63 ? 221 LEU B CG 1 ATOM 6720 C CD1 . LEU B 1 221 ? -16.323 17.890 2.483 1.00 26.80 ? 221 LEU B CD1 1 ATOM 6721 C CD2 . LEU B 1 221 ? -15.572 18.786 4.708 1.00 26.43 ? 221 LEU B CD2 1 ATOM 6722 N N . TYR B 1 222 ? -11.071 17.946 1.703 1.00 23.82 ? 222 TYR B N 1 ATOM 6723 C CA . TYR B 1 222 ? -9.635 18.197 1.636 1.00 22.74 ? 222 TYR B CA 1 ATOM 6724 C C . TYR B 1 222 ? -9.195 18.598 0.228 1.00 23.09 ? 222 TYR B C 1 ATOM 6725 O O . TYR B 1 222 ? -8.444 19.562 0.071 1.00 23.03 ? 222 TYR B O 1 ATOM 6726 C CB . TYR B 1 222 ? -8.805 17.007 2.137 1.00 21.61 ? 222 TYR B CB 1 ATOM 6727 C CG . TYR B 1 222 ? -7.323 17.327 2.088 1.00 20.80 ? 222 TYR B CG 1 ATOM 6728 C CD1 . TYR B 1 222 ? -6.765 18.223 2.998 1.00 20.12 ? 222 TYR B CD1 1 ATOM 6729 C CD2 . TYR B 1 222 ? -6.507 16.804 1.086 1.00 20.20 ? 222 TYR B CD2 1 ATOM 6730 C CE1 . TYR B 1 222 ? -5.430 18.557 2.945 1.00 19.95 ? 222 TYR B CE1 1 ATOM 6731 C CE2 . TYR B 1 222 ? -5.158 17.129 1.028 1.00 20.17 ? 222 TYR B CE2 1 ATOM 6732 C CZ . TYR B 1 222 ? -4.630 17.999 1.964 1.00 19.84 ? 222 TYR B CZ 1 ATOM 6733 O OH . TYR B 1 222 ? -3.298 18.333 1.937 1.00 20.17 ? 222 TYR B OH 1 ATOM 6734 N N . LEU B 1 223 ? -9.651 17.856 -0.784 1.00 24.16 ? 223 LEU B N 1 ATOM 6735 C CA . LEU B 1 223 ? -9.260 18.127 -2.177 1.00 25.10 ? 223 LEU B CA 1 ATOM 6736 C C . LEU B 1 223 ? -9.556 19.560 -2.621 1.00 25.45 ? 223 LEU B C 1 ATOM 6737 O O . LEU B 1 223 ? -8.724 20.205 -3.273 1.00 26.21 ? 223 LEU B O 1 ATOM 6738 C CB . LEU B 1 223 ? -9.897 17.120 -3.147 1.00 25.86 ? 223 LEU B CB 1 ATOM 6739 C CG . LEU B 1 223 ? -9.427 15.658 -3.065 1.00 26.31 ? 223 LEU B CG 1 ATOM 6740 C CD1 . LEU B 1 223 ? -10.146 14.809 -4.107 1.00 27.09 ? 223 LEU B CD1 1 ATOM 6741 C CD2 . LEU B 1 223 ? -7.921 15.522 -3.236 1.00 26.22 ? 223 LEU B CD2 1 ATOM 6742 N N . ASN B 1 224 ? -10.723 20.071 -2.241 1.00 25.72 ? 224 ASN B N 1 ATOM 6743 C CA . ASN B 1 224 ? -11.075 21.450 -2.568 1.00 25.77 ? 224 ASN B CA 1 ATOM 6744 C C . ASN B 1 224 ? -10.276 22.501 -1.828 1.00 24.87 ? 224 ASN B C 1 ATOM 6745 O O . ASN B 1 224 ? -9.858 23.502 -2.436 1.00 24.70 ? 224 ASN B O 1 ATOM 6746 C CB . ASN B 1 224 ? -12.568 21.677 -2.420 1.00 27.50 ? 224 ASN B CB 1 ATOM 6747 C CG . ASN B 1 224 ? -13.329 21.253 -3.662 1.00 28.95 ? 224 ASN B CG 1 ATOM 6748 O OD1 . ASN B 1 224 ? -13.372 21.994 -4.652 1.00 29.89 ? 224 ASN B OD1 1 ATOM 6749 N ND2 . ASN B 1 224 ? -13.906 20.051 -3.633 1.00 27.74 ? 224 ASN B ND2 1 ATOM 6750 N N . LEU B 1 225 ? -10.035 22.266 -0.536 1.00 23.61 ? 225 LEU B N 1 ATOM 6751 C CA . LEU B 1 225 ? -9.203 23.169 0.255 1.00 23.47 ? 225 LEU B CA 1 ATOM 6752 C C . LEU B 1 225 ? -7.800 23.211 -0.332 1.00 22.97 ? 225 LEU B C 1 ATOM 6753 O O . LEU B 1 225 ? -7.211 24.283 -0.493 1.00 23.31 ? 225 LEU B O 1 ATOM 6754 C CB . LEU B 1 225 ? -9.148 22.725 1.727 1.00 22.94 ? 225 LEU B CB 1 ATOM 6755 C CG . LEU B 1 225 ? -8.282 23.630 2.602 1.00 22.38 ? 225 LEU B CG 1 ATOM 6756 C CD1 . LEU B 1 225 ? -8.927 25.015 2.716 1.00 22.47 ? 225 LEU B CD1 1 ATOM 6757 C CD2 . LEU B 1 225 ? -8.075 22.992 3.972 1.00 21.71 ? 225 LEU B CD2 1 ATOM 6758 N N . HIS B 1 226 ? -7.289 22.018 -0.647 1.00 22.68 ? 226 HIS B N 1 ATOM 6759 C CA . HIS B 1 226 ? -5.977 21.818 -1.244 1.00 22.37 ? 226 HIS B CA 1 ATOM 6760 C C . HIS B 1 226 ? -5.812 22.660 -2.508 1.00 22.58 ? 226 HIS B C 1 ATOM 6761 O O . HIS B 1 226 ? -4.845 23.410 -2.622 1.00 22.81 ? 226 HIS B O 1 ATOM 6762 C CB . HIS B 1 226 ? -5.760 20.317 -1.539 1.00 22.27 ? 226 HIS B CB 1 ATOM 6763 C CG . HIS B 1 226 ? -4.428 19.999 -2.143 1.00 22.34 ? 226 HIS B CG 1 ATOM 6764 N ND1 . HIS B 1 226 ? -4.160 20.169 -3.486 1.00 22.34 ? 226 HIS B ND1 1 ATOM 6765 C CD2 . HIS B 1 226 ? -3.288 19.517 -1.589 1.00 21.79 ? 226 HIS B CD2 1 ATOM 6766 C CE1 . HIS B 1 226 ? -2.910 19.817 -3.731 1.00 22.31 ? 226 HIS B CE1 1 ATOM 6767 N NE2 . HIS B 1 226 ? -2.362 19.407 -2.599 1.00 21.67 ? 226 HIS B NE2 1 ATOM 6768 N N . ALA B 1 227 ? -6.769 22.555 -3.430 1.00 23.36 ? 227 ALA B N 1 ATOM 6769 C CA . ALA B 1 227 ? -6.702 23.247 -4.729 1.00 24.26 ? 227 ALA B CA 1 ATOM 6770 C C . ALA B 1 227 ? -6.790 24.764 -4.586 1.00 25.06 ? 227 ALA B C 1 ATOM 6771 O O . ALA B 1 227 ? -6.060 25.511 -5.251 1.00 26.39 ? 227 ALA B O 1 ATOM 6772 C CB . ALA B 1 227 ? -7.788 22.731 -5.670 1.00 24.29 ? 227 ALA B CB 1 ATOM 6773 N N . PHE B 1 228 ? -7.671 25.213 -3.703 1.00 25.83 ? 228 PHE B N 1 ATOM 6774 C CA . PHE B 1 228 ? -7.804 26.644 -3.387 1.00 26.19 ? 228 PHE B CA 1 ATOM 6775 C C . PHE B 1 228 ? -6.515 27.218 -2.791 1.00 25.98 ? 228 PHE B C 1 ATOM 6776 O O . PHE B 1 228 ? -6.082 28.322 -3.151 1.00 25.53 ? 228 PHE B O 1 ATOM 6777 C CB . PHE B 1 228 ? -8.963 26.846 -2.421 1.00 26.88 ? 228 PHE B CB 1 ATOM 6778 C CG . PHE B 1 228 ? -9.145 28.271 -1.972 1.00 27.97 ? 228 PHE B CG 1 ATOM 6779 C CD1 . PHE B 1 228 ? -9.766 29.206 -2.804 1.00 28.89 ? 228 PHE B CD1 1 ATOM 6780 C CD2 . PHE B 1 228 ? -8.706 28.678 -0.711 1.00 28.18 ? 228 PHE B CD2 1 ATOM 6781 C CE1 . PHE B 1 228 ? -9.942 30.522 -2.388 1.00 29.55 ? 228 PHE B CE1 1 ATOM 6782 C CE2 . PHE B 1 228 ? -8.878 29.993 -0.286 1.00 28.25 ? 228 PHE B CE2 1 ATOM 6783 C CZ . PHE B 1 228 ? -9.496 30.914 -1.128 1.00 29.31 ? 228 PHE B CZ 1 ATOM 6784 N N . VAL B 1 229 ? -5.898 26.466 -1.878 1.00 25.33 ? 229 VAL B N 1 ATOM 6785 C CA . VAL B 1 229 ? -4.659 26.918 -1.244 1.00 24.46 ? 229 VAL B CA 1 ATOM 6786 C C . VAL B 1 229 ? -3.531 26.885 -2.270 1.00 24.61 ? 229 VAL B C 1 ATOM 6787 O O . VAL B 1 229 ? -2.767 27.835 -2.375 1.00 25.48 ? 229 VAL B O 1 ATOM 6788 C CB . VAL B 1 229 ? -4.312 26.091 0.023 1.00 23.87 ? 229 VAL B CB 1 ATOM 6789 C CG1 . VAL B 1 229 ? -2.904 26.405 0.506 1.00 23.98 ? 229 VAL B CG1 1 ATOM 6790 C CG2 . VAL B 1 229 ? -5.322 26.360 1.128 1.00 23.80 ? 229 VAL B CG2 1 ATOM 6791 N N . ARG B 1 230 ? -3.450 25.810 -3.053 1.00 24.09 ? 230 ARG B N 1 ATOM 6792 C CA . ARG B 1 230 ? -2.448 25.738 -4.124 1.00 24.00 ? 230 ARG B CA 1 ATOM 6793 C C . ARG B 1 230 ? -2.470 26.971 -5.054 1.00 24.67 ? 230 ARG B C 1 ATOM 6794 O O . ARG B 1 230 ? -1.416 27.486 -5.426 1.00 25.72 ? 230 ARG B O 1 ATOM 6795 C CB . ARG B 1 230 ? -2.581 24.425 -4.913 1.00 23.04 ? 230 ARG B CB 1 ATOM 6796 C CG . ARG B 1 230 ? -1.471 24.188 -5.928 1.00 23.08 ? 230 ARG B CG 1 ATOM 6797 C CD . ARG B 1 230 ? -1.612 22.833 -6.610 1.00 22.29 ? 230 ARG B CD 1 ATOM 6798 N NE . ARG B 1 230 ? -2.983 22.608 -7.049 1.00 22.13 ? 230 ARG B NE 1 ATOM 6799 C CZ . ARG B 1 230 ? -3.498 21.428 -7.372 1.00 22.15 ? 230 ARG B CZ 1 ATOM 6800 N NH1 . ARG B 1 230 ? -2.758 20.320 -7.331 1.00 21.85 ? 230 ARG B NH1 1 ATOM 6801 N NH2 . ARG B 1 230 ? -4.773 21.361 -7.736 1.00 22.51 ? 230 ARG B NH2 1 ATOM 6802 N N . ARG B 1 231 ? -3.653 27.445 -5.419 1.00 25.78 ? 231 ARG B N 1 ATOM 6803 C CA . ARG B 1 231 ? -3.776 28.667 -6.249 1.00 27.79 ? 231 ARG B CA 1 ATOM 6804 C C . ARG B 1 231 ? -3.129 29.915 -5.617 1.00 28.06 ? 231 ARG B C 1 ATOM 6805 O O . ARG B 1 231 ? -2.405 30.654 -6.297 1.00 29.44 ? 231 ARG B O 1 ATOM 6806 C CB . ARG B 1 231 ? -5.246 28.935 -6.611 1.00 28.89 ? 231 ARG B CB 1 ATOM 6807 C CG . ARG B 1 231 ? -5.509 30.202 -7.439 1.00 30.46 ? 231 ARG B CG 1 ATOM 6808 C CD . ARG B 1 231 ? -4.831 30.190 -8.808 1.00 30.67 ? 231 ARG B CD 1 ATOM 6809 N NE . ARG B 1 231 ? -5.356 29.130 -9.676 1.00 31.76 ? 231 ARG B NE 1 ATOM 6810 C CZ . ARG B 1 231 ? -5.091 29.001 -10.975 1.00 32.23 ? 231 ARG B CZ 1 ATOM 6811 N NH1 . ARG B 1 231 ? -4.299 29.870 -11.594 1.00 32.99 ? 231 ARG B NH1 1 ATOM 6812 N NH2 . ARG B 1 231 ? -5.619 27.993 -11.663 1.00 31.76 ? 231 ARG B NH2 1 ATOM 6813 N N . ALA B 1 232 ? -3.373 30.140 -4.321 1.00 28.57 ? 232 ALA B N 1 ATOM 6814 C CA . ALA B 1 232 ? -2.781 31.291 -3.611 1.00 28.70 ? 232 ALA B CA 1 ATOM 6815 C C . ALA B 1 232 ? -1.252 31.188 -3.573 1.00 29.20 ? 232 ALA B C 1 ATOM 6816 O O . ALA B 1 232 ? -0.534 32.182 -3.775 1.00 29.57 ? 232 ALA B O 1 ATOM 6817 C CB . ALA B 1 232 ? -3.344 31.386 -2.207 1.00 29.01 ? 232 ALA B CB 1 ATOM 6818 N N . LEU B 1 233 ? -0.758 29.968 -3.363 1.00 28.19 ? 233 LEU B N 1 ATOM 6819 C CA . LEU B 1 233 ? 0.674 29.712 -3.367 1.00 28.28 ? 233 LEU B CA 1 ATOM 6820 C C . LEU B 1 233 ? 1.302 29.980 -4.723 1.00 29.41 ? 233 LEU B C 1 ATOM 6821 O O . LEU B 1 233 ? 2.406 30.529 -4.795 1.00 30.36 ? 233 LEU B O 1 ATOM 6822 C CB . LEU B 1 233 ? 0.967 28.283 -2.892 1.00 27.36 ? 233 LEU B CB 1 ATOM 6823 C CG . LEU B 1 233 ? 0.590 28.001 -1.431 1.00 26.78 ? 233 LEU B CG 1 ATOM 6824 C CD1 . LEU B 1 233 ? 0.834 26.538 -1.103 1.00 26.35 ? 233 LEU B CD1 1 ATOM 6825 C CD2 . LEU B 1 233 ? 1.361 28.907 -0.472 1.00 26.42 ? 233 LEU B CD2 1 ATOM 6826 N N . HIS B 1 234 ? 0.595 29.612 -5.795 1.00 30.53 ? 234 HIS B N 1 ATOM 6827 C CA . HIS B 1 234 ? 1.099 29.800 -7.163 1.00 31.76 ? 234 HIS B CA 1 ATOM 6828 C C . HIS B 1 234 ? 1.350 31.279 -7.471 1.00 32.84 ? 234 HIS B C 1 ATOM 6829 O O . HIS B 1 234 ? 2.421 31.651 -7.984 1.00 32.96 ? 234 HIS B O 1 ATOM 6830 C CB . HIS B 1 234 ? 0.132 29.192 -8.188 1.00 31.92 ? 234 HIS B CB 1 ATOM 6831 C CG . HIS B 1 234 ? 0.646 29.223 -9.596 1.00 32.78 ? 234 HIS B CG 1 ATOM 6832 N ND1 . HIS B 1 234 ? 0.309 30.217 -10.489 1.00 33.19 ? 234 HIS B ND1 1 ATOM 6833 C CD2 . HIS B 1 234 ? 1.478 28.387 -10.260 1.00 32.40 ? 234 HIS B CD2 1 ATOM 6834 C CE1 . HIS B 1 234 ? 0.901 29.985 -11.647 1.00 33.79 ? 234 HIS B CE1 1 ATOM 6835 N NE2 . HIS B 1 234 ? 1.617 28.880 -11.535 1.00 33.62 ? 234 HIS B NE2 1 ATOM 6836 N N . ARG B 1 235 ? 0.363 32.102 -7.142 1.00 33.03 ? 235 ARG B N 1 ATOM 6837 C CA . ARG B 1 235 ? 0.455 33.551 -7.295 1.00 35.98 ? 235 ARG B CA 1 ATOM 6838 C C . ARG B 1 235 ? 1.591 34.146 -6.486 1.00 36.27 ? 235 ARG B C 1 ATOM 6839 O O . ARG B 1 235 ? 2.264 35.063 -6.944 1.00 35.51 ? 235 ARG B O 1 ATOM 6840 C CB . ARG B 1 235 ? -0.855 34.206 -6.896 1.00 36.92 ? 235 ARG B CB 1 ATOM 6841 C CG . ARG B 1 235 ? -1.890 34.140 -8.003 1.00 40.16 ? 235 ARG B CG 1 ATOM 6842 C CD . ARG B 1 235 ? -3.285 34.271 -7.431 1.00 43.39 ? 235 ARG B CD 1 ATOM 6843 N NE . ARG B 1 235 ? -4.288 34.204 -8.488 1.00 46.57 ? 235 ARG B NE 1 ATOM 6844 C CZ . ARG B 1 235 ? -5.589 34.043 -8.275 1.00 47.71 ? 235 ARG B CZ 1 ATOM 6845 N NH1 . ARG B 1 235 ? -6.058 33.932 -7.034 1.00 47.69 ? 235 ARG B NH1 1 ATOM 6846 N NH2 . ARG B 1 235 ? -6.420 33.996 -9.307 1.00 49.46 ? 235 ARG B NH2 1 ATOM 6847 N N . ARG B 1 236 ? 1.813 33.597 -5.300 1.00 36.02 ? 236 ARG B N 1 ATOM 6848 C CA . ARG B 1 236 ? 2.827 34.102 -4.399 1.00 37.38 ? 236 ARG B CA 1 ATOM 6849 C C . ARG B 1 236 ? 4.245 33.707 -4.831 1.00 37.45 ? 236 ARG B C 1 ATOM 6850 O O . ARG B 1 236 ? 5.138 34.551 -4.878 1.00 39.30 ? 236 ARG B O 1 ATOM 6851 C CB . ARG B 1 236 ? 2.525 33.636 -2.971 1.00 38.00 ? 236 ARG B CB 1 ATOM 6852 C CG . ARG B 1 236 ? 3.465 34.175 -1.913 1.00 39.55 ? 236 ARG B CG 1 ATOM 6853 C CD . ARG B 1 236 ? 3.461 35.693 -1.915 1.00 42.79 ? 236 ARG B CD 1 ATOM 6854 N NE . ARG B 1 236 ? 3.721 36.205 -0.582 1.00 45.00 ? 236 ARG B NE 1 ATOM 6855 C CZ . ARG B 1 236 ? 2.784 36.624 0.257 1.00 43.02 ? 236 ARG B CZ 1 ATOM 6856 N NH1 . ARG B 1 236 ? 1.506 36.622 -0.091 1.00 42.97 ? 236 ARG B NH1 1 ATOM 6857 N NH2 . ARG B 1 236 ? 3.136 37.062 1.450 1.00 45.25 ? 236 ARG B NH2 1 ATOM 6858 N N . TYR B 1 237 ? 4.446 32.439 -5.161 1.00 35.96 ? 237 TYR B N 1 ATOM 6859 C CA . TYR B 1 237 ? 5.790 31.926 -5.418 1.00 35.97 ? 237 TYR B CA 1 ATOM 6860 C C . TYR B 1 237 ? 6.155 31.736 -6.899 1.00 36.53 ? 237 TYR B C 1 ATOM 6861 O O . TYR B 1 237 ? 7.326 31.543 -7.236 1.00 37.45 ? 237 TYR B O 1 ATOM 6862 C CB . TYR B 1 237 ? 6.007 30.634 -4.628 1.00 34.38 ? 237 TYR B CB 1 ATOM 6863 C CG . TYR B 1 237 ? 5.888 30.843 -3.134 1.00 33.96 ? 237 TYR B CG 1 ATOM 6864 C CD1 . TYR B 1 237 ? 6.913 31.464 -2.419 1.00 34.07 ? 237 TYR B CD1 1 ATOM 6865 C CD2 . TYR B 1 237 ? 4.752 30.431 -2.435 1.00 33.44 ? 237 TYR B CD2 1 ATOM 6866 C CE1 . TYR B 1 237 ? 6.814 31.663 -1.052 1.00 33.86 ? 237 TYR B CE1 1 ATOM 6867 C CE2 . TYR B 1 237 ? 4.645 30.622 -1.063 1.00 32.81 ? 237 TYR B CE2 1 ATOM 6868 C CZ . TYR B 1 237 ? 5.682 31.240 -0.379 1.00 33.07 ? 237 TYR B CZ 1 ATOM 6869 O OH . TYR B 1 237 ? 5.595 31.449 0.977 1.00 32.41 ? 237 TYR B OH 1 ATOM 6870 N N . GLY B 1 238 ? 5.161 31.774 -7.775 1.00 36.31 ? 238 GLY B N 1 ATOM 6871 C CA . GLY B 1 238 ? 5.424 31.679 -9.206 1.00 37.93 ? 238 GLY B CA 1 ATOM 6872 C C . GLY B 1 238 ? 5.339 30.276 -9.765 1.00 38.75 ? 238 GLY B C 1 ATOM 6873 O O . GLY B 1 238 ? 5.326 29.286 -9.022 1.00 36.98 ? 238 GLY B O 1 ATOM 6874 N N . ASP B 1 239 ? 5.303 30.207 -11.091 1.00 39.89 ? 239 ASP B N 1 ATOM 6875 C CA . ASP B 1 239 ? 5.146 28.965 -11.832 1.00 41.19 ? 239 ASP B CA 1 ATOM 6876 C C . ASP B 1 239 ? 6.333 28.020 -11.679 1.00 40.19 ? 239 ASP B C 1 ATOM 6877 O O . ASP B 1 239 ? 6.213 26.822 -11.941 1.00 40.08 ? 239 ASP B O 1 ATOM 6878 C CB . ASP B 1 239 ? 4.918 29.283 -13.317 1.00 44.87 ? 239 ASP B CB 1 ATOM 6879 C CG . ASP B 1 239 ? 4.147 28.193 -14.034 1.00 48.22 ? 239 ASP B CG 1 ATOM 6880 O OD1 . ASP B 1 239 ? 3.165 27.678 -13.451 1.00 50.11 ? 239 ASP B OD1 1 ATOM 6881 O OD2 . ASP B 1 239 ? 4.515 27.850 -15.181 1.00 50.62 ? 239 ASP B OD2 1 ATOM 6882 N N . ARG B 1 240 ? 7.477 28.559 -11.265 1.00 39.85 ? 240 ARG B N 1 ATOM 6883 C CA . ARG B 1 240 ? 8.687 27.757 -11.069 1.00 41.03 ? 240 ARG B CA 1 ATOM 6884 C C . ARG B 1 240 ? 8.570 26.819 -9.850 1.00 39.12 ? 240 ARG B C 1 ATOM 6885 O O . ARG B 1 240 ? 9.021 25.672 -9.890 1.00 37.41 ? 240 ARG B O 1 ATOM 6886 C CB . ARG B 1 240 ? 9.916 28.675 -10.961 1.00 43.76 ? 240 ARG B CB 1 ATOM 6887 C CG . ARG B 1 240 ? 11.242 27.951 -10.755 1.00 48.60 ? 240 ARG B CG 1 ATOM 6888 C CD . ARG B 1 240 ? 12.440 28.844 -11.056 1.00 52.65 ? 240 ARG B CD 1 ATOM 6889 N NE . ARG B 1 240 ? 13.669 28.368 -10.410 1.00 54.42 ? 240 ARG B NE 1 ATOM 6890 C CZ . ARG B 1 240 ? 14.501 27.465 -10.929 1.00 55.58 ? 240 ARG B CZ 1 ATOM 6891 N NH1 . ARG B 1 240 ? 14.256 26.916 -12.114 1.00 54.86 ? 240 ARG B NH1 1 ATOM 6892 N NH2 . ARG B 1 240 ? 15.588 27.107 -10.257 1.00 56.83 ? 240 ARG B NH2 1 ATOM 6893 N N . TYR B 1 241 ? 7.938 27.307 -8.786 1.00 37.81 ? 241 TYR B N 1 ATOM 6894 C CA . TYR B 1 241 ? 7.897 26.589 -7.504 1.00 36.59 ? 241 TYR B CA 1 ATOM 6895 C C . TYR B 1 241 ? 6.556 25.946 -7.170 1.00 33.38 ? 241 TYR B C 1 ATOM 6896 O O . TYR B 1 241 ? 6.466 25.148 -6.236 1.00 33.68 ? 241 TYR B O 1 ATOM 6897 C CB . TYR B 1 241 ? 8.323 27.516 -6.364 1.00 38.02 ? 241 TYR B CB 1 ATOM 6898 C CG . TYR B 1 241 ? 9.731 28.022 -6.502 1.00 40.95 ? 241 TYR B CG 1 ATOM 6899 C CD1 . TYR B 1 241 ? 10.806 27.135 -6.574 1.00 42.24 ? 241 TYR B CD1 1 ATOM 6900 C CD2 . TYR B 1 241 ? 9.993 29.391 -6.560 1.00 43.74 ? 241 TYR B CD2 1 ATOM 6901 C CE1 . TYR B 1 241 ? 12.107 27.595 -6.712 1.00 45.65 ? 241 TYR B CE1 1 ATOM 6902 C CE2 . TYR B 1 241 ? 11.289 29.866 -6.690 1.00 46.84 ? 241 TYR B CE2 1 ATOM 6903 C CZ . TYR B 1 241 ? 12.341 28.965 -6.768 1.00 47.79 ? 241 TYR B CZ 1 ATOM 6904 O OH . TYR B 1 241 ? 13.625 29.431 -6.895 1.00 49.68 ? 241 TYR B OH 1 ATOM 6905 N N . ILE B 1 242 ? 5.519 26.295 -7.922 1.00 31.88 ? 242 ILE B N 1 ATOM 6906 C CA . ILE B 1 242 ? 4.192 25.706 -7.732 1.00 30.29 ? 242 ILE B CA 1 ATOM 6907 C C . ILE B 1 242 ? 3.669 25.122 -9.050 1.00 30.54 ? 242 ILE B C 1 ATOM 6908 O O . ILE B 1 242 ? 3.750 25.770 -10.101 1.00 31.28 ? 242 ILE B O 1 ATOM 6909 C CB . ILE B 1 242 ? 3.182 26.735 -7.185 1.00 29.84 ? 242 ILE B CB 1 ATOM 6910 C CG1 . ILE B 1 242 ? 3.653 27.344 -5.844 1.00 29.45 ? 242 ILE B CG1 1 ATOM 6911 C CG2 . ILE B 1 242 ? 1.788 26.126 -7.061 1.00 29.05 ? 242 ILE B CG2 1 ATOM 6912 C CD1 . ILE B 1 242 ? 3.640 26.384 -4.668 1.00 28.72 ? 242 ILE B CD1 1 ATOM 6913 N N . ASN B 1 243 ? 3.134 23.904 -8.978 1.00 29.46 ? 243 ASN B N 1 ATOM 6914 C CA . ASN B 1 243 ? 2.492 23.236 -10.115 1.00 29.19 ? 243 ASN B CA 1 ATOM 6915 C C . ASN B 1 243 ? 0.999 23.096 -9.820 1.00 28.67 ? 243 ASN B C 1 ATOM 6916 O O . ASN B 1 243 ? 0.608 22.362 -8.915 1.00 27.69 ? 243 ASN B O 1 ATOM 6917 C CB . ASN B 1 243 ? 3.139 21.859 -10.327 1.00 28.34 ? 243 ASN B CB 1 ATOM 6918 C CG . ASN B 1 243 ? 2.578 21.088 -11.518 1.00 28.37 ? 243 ASN B CG 1 ATOM 6919 O OD1 . ASN B 1 243 ? 1.486 21.354 -12.014 1.00 28.08 ? 243 ASN B OD1 1 ATOM 6920 N ND2 . ASN B 1 243 ? 3.335 20.094 -11.963 1.00 27.93 ? 243 ASN B ND2 1 ATOM 6921 N N . LEU B 1 244 ? 0.174 23.800 -10.597 1.00 28.83 ? 244 LEU B N 1 ATOM 6922 C CA . LEU B 1 244 ? -1.277 23.848 -10.374 1.00 28.28 ? 244 LEU B CA 1 ATOM 6923 C C . LEU B 1 244 ? -1.989 22.514 -10.598 1.00 28.31 ? 244 LEU B C 1 ATOM 6924 O O . LEU B 1 244 ? -3.176 22.383 -10.313 1.00 28.30 ? 244 LEU B O 1 ATOM 6925 C CB . LEU B 1 244 ? -1.914 24.933 -11.244 1.00 28.82 ? 244 LEU B CB 1 ATOM 6926 C CG . LEU B 1 244 ? -1.629 26.390 -10.874 1.00 28.64 ? 244 LEU B CG 1 ATOM 6927 C CD1 . LEU B 1 244 ? -1.937 27.316 -12.049 1.00 29.43 ? 244 LEU B CD1 1 ATOM 6928 C CD2 . LEU B 1 244 ? -2.418 26.786 -9.632 1.00 28.81 ? 244 LEU B CD2 1 ATOM 6929 N N . ARG B 1 245 ? -1.263 21.530 -11.117 1.00 28.79 ? 245 ARG B N 1 ATOM 6930 C CA . ARG B 1 245 ? -1.794 20.182 -11.286 1.00 28.96 ? 245 ARG B CA 1 ATOM 6931 C C . ARG B 1 245 ? -0.914 19.146 -10.579 1.00 27.41 ? 245 ARG B C 1 ATOM 6932 O O . ARG B 1 245 ? -1.055 17.947 -10.815 1.00 26.71 ? 245 ARG B O 1 ATOM 6933 C CB . ARG B 1 245 ? -1.964 19.843 -12.783 1.00 31.27 ? 245 ARG B CB 1 ATOM 6934 C CG . ARG B 1 245 ? -3.043 20.677 -13.473 1.00 34.40 ? 245 ARG B CG 1 ATOM 6935 C CD . ARG B 1 245 ? -3.283 20.262 -14.923 1.00 38.21 ? 245 ARG B CD 1 ATOM 6936 N NE . ARG B 1 245 ? -2.205 20.676 -15.826 1.00 41.02 ? 245 ARG B NE 1 ATOM 6937 C CZ . ARG B 1 245 ? -2.166 20.394 -17.129 1.00 44.71 ? 245 ARG B CZ 1 ATOM 6938 N NH1 . ARG B 1 245 ? -3.143 19.700 -17.702 1.00 46.47 ? 245 ARG B NH1 1 ATOM 6939 N NH2 . ARG B 1 245 ? -1.143 20.798 -17.870 1.00 45.81 ? 245 ARG B NH2 1 ATOM 6940 N N . GLY B 1 246 ? -0.009 19.614 -9.718 1.00 25.56 ? 246 GLY B N 1 ATOM 6941 C CA . GLY B 1 246 ? 0.881 18.719 -8.963 1.00 25.06 ? 246 GLY B CA 1 ATOM 6942 C C . GLY B 1 246 ? 0.772 18.884 -7.450 1.00 24.29 ? 246 GLY B C 1 ATOM 6943 O O . GLY B 1 246 ? 0.008 19.737 -6.961 1.00 24.10 ? 246 GLY B O 1 ATOM 6944 N N . PRO B 1 247 ? 1.533 18.073 -6.687 1.00 23.57 ? 247 PRO B N 1 ATOM 6945 C CA . PRO B 1 247 ? 1.530 18.233 -5.230 1.00 22.87 ? 247 PRO B CA 1 ATOM 6946 C C . PRO B 1 247 ? 2.167 19.551 -4.787 1.00 22.25 ? 247 PRO B C 1 ATOM 6947 O O . PRO B 1 247 ? 3.051 20.067 -5.462 1.00 22.53 ? 247 PRO B O 1 ATOM 6948 C CB . PRO B 1 247 ? 2.387 17.063 -4.735 1.00 22.60 ? 247 PRO B CB 1 ATOM 6949 C CG . PRO B 1 247 ? 2.532 16.139 -5.901 1.00 23.21 ? 247 PRO B CG 1 ATOM 6950 C CD . PRO B 1 247 ? 2.471 17.023 -7.111 1.00 23.38 ? 247 PRO B CD 1 ATOM 6951 N N . ILE B 1 248 ? 1.712 20.071 -3.653 1.00 21.08 ? 248 ILE B N 1 ATOM 6952 C CA . ILE B 1 248 ? 2.252 21.299 -3.068 1.00 20.98 ? 248 ILE B CA 1 ATOM 6953 C C . ILE B 1 248 ? 3.594 20.998 -2.394 1.00 20.58 ? 248 ILE B C 1 ATOM 6954 O O . ILE B 1 248 ? 3.695 20.018 -1.659 1.00 20.89 ? 248 ILE B O 1 ATOM 6955 C CB . ILE B 1 248 ? 1.254 21.875 -2.023 1.00 20.25 ? 248 ILE B CB 1 ATOM 6956 C CG1 . ILE B 1 248 ? -0.106 22.135 -2.692 1.00 20.55 ? 248 ILE B CG1 1 ATOM 6957 C CG2 . ILE B 1 248 ? 1.820 23.126 -1.339 1.00 20.08 ? 248 ILE B CG2 1 ATOM 6958 C CD1 . ILE B 1 248 ? -1.218 22.619 -1.771 1.00 20.47 ? 248 ILE B CD1 1 ATOM 6959 N N . PRO B 1 249 ? 4.635 21.828 -2.631 1.00 20.57 ? 249 PRO B N 1 ATOM 6960 C CA . PRO B 1 249 ? 5.871 21.649 -1.848 1.00 20.01 ? 249 PRO B CA 1 ATOM 6961 C C . PRO B 1 249 ? 5.599 21.675 -0.335 1.00 19.44 ? 249 PRO B C 1 ATOM 6962 O O . PRO B 1 249 ? 4.871 22.542 0.135 1.00 18.90 ? 249 PRO B O 1 ATOM 6963 C CB . PRO B 1 249 ? 6.714 22.847 -2.265 1.00 20.54 ? 249 PRO B CB 1 ATOM 6964 C CG . PRO B 1 249 ? 6.290 23.095 -3.672 1.00 21.29 ? 249 PRO B CG 1 ATOM 6965 C CD . PRO B 1 249 ? 4.802 22.863 -3.667 1.00 21.24 ? 249 PRO B CD 1 ATOM 6966 N N . ALA B 1 250 ? 6.194 20.729 0.400 1.00 19.40 ? 250 ALA B N 1 ATOM 6967 C CA . ALA B 1 250 ? 5.803 20.411 1.790 1.00 19.10 ? 250 ALA B CA 1 ATOM 6968 C C . ALA B 1 250 ? 6.109 21.493 2.841 1.00 19.27 ? 250 ALA B C 1 ATOM 6969 O O . ALA B 1 250 ? 5.695 21.378 3.991 1.00 19.65 ? 250 ALA B O 1 ATOM 6970 C CB . ALA B 1 250 ? 6.438 19.091 2.217 1.00 18.66 ? 250 ALA B CB 1 ATOM 6971 N N . HIS B 1 251 ? 6.850 22.521 2.449 1.00 19.86 ? 251 HIS B N 1 ATOM 6972 C CA . HIS B 1 251 ? 7.337 23.531 3.386 1.00 20.39 ? 251 HIS B CA 1 ATOM 6973 C C . HIS B 1 251 ? 6.583 24.850 3.306 1.00 20.61 ? 251 HIS B C 1 ATOM 6974 O O . HIS B 1 251 ? 6.949 25.807 3.993 1.00 20.97 ? 251 HIS B O 1 ATOM 6975 C CB . HIS B 1 251 ? 8.823 23.806 3.146 1.00 20.46 ? 251 HIS B CB 1 ATOM 6976 C CG . HIS B 1 251 ? 9.127 24.404 1.801 1.00 21.26 ? 251 HIS B CG 1 ATOM 6977 N ND1 . HIS B 1 251 ? 8.623 23.890 0.625 1.00 21.01 ? 251 HIS B ND1 1 ATOM 6978 C CD2 . HIS B 1 251 ? 9.913 25.452 1.448 1.00 21.50 ? 251 HIS B CD2 1 ATOM 6979 C CE1 . HIS B 1 251 ? 9.077 24.600 -0.395 1.00 21.76 ? 251 HIS B CE1 1 ATOM 6980 N NE2 . HIS B 1 251 ? 9.861 25.554 0.077 1.00 22.38 ? 251 HIS B NE2 1 ATOM 6981 N N . LEU B 1 252 ? 5.534 24.901 2.490 1.00 20.27 ? 252 LEU B N 1 ATOM 6982 C CA . LEU B 1 252 ? 4.880 26.182 2.169 1.00 20.68 ? 252 LEU B CA 1 ATOM 6983 C C . LEU B 1 252 ? 3.557 26.414 2.881 1.00 20.55 ? 252 LEU B C 1 ATOM 6984 O O . LEU B 1 252 ? 2.905 27.433 2.645 1.00 21.29 ? 252 LEU B O 1 ATOM 6985 C CB . LEU B 1 252 ? 4.657 26.293 0.655 1.00 20.77 ? 252 LEU B CB 1 ATOM 6986 C CG . LEU B 1 252 ? 5.910 26.309 -0.223 1.00 20.83 ? 252 LEU B CG 1 ATOM 6987 C CD1 . LEU B 1 252 ? 5.525 26.455 -1.680 1.00 21.10 ? 252 LEU B CD1 1 ATOM 6988 C CD2 . LEU B 1 252 ? 6.845 27.432 0.201 1.00 20.87 ? 252 LEU B CD2 1 ATOM 6989 N N . LEU B 1 253 ? 3.176 25.485 3.753 1.00 20.32 ? 253 LEU B N 1 ATOM 6990 C CA . LEU B 1 253 ? 1.806 25.417 4.275 1.00 19.81 ? 253 LEU B CA 1 ATOM 6991 C C . LEU B 1 253 ? 1.634 25.839 5.737 1.00 20.04 ? 253 LEU B C 1 ATOM 6992 O O . LEU B 1 253 ? 0.582 25.612 6.338 1.00 19.86 ? 253 LEU B O 1 ATOM 6993 C CB . LEU B 1 253 ? 1.218 24.030 4.023 1.00 19.79 ? 253 LEU B CB 1 ATOM 6994 C CG . LEU B 1 253 ? 1.040 23.696 2.533 1.00 20.11 ? 253 LEU B CG 1 ATOM 6995 C CD1 . LEU B 1 253 ? 0.960 22.192 2.284 1.00 19.94 ? 253 LEU B CD1 1 ATOM 6996 C CD2 . LEU B 1 253 ? -0.173 24.412 1.941 1.00 19.85 ? 253 LEU B CD2 1 ATOM 6997 N N . GLY B 1 254 ? 2.675 26.449 6.297 1.00 20.01 ? 254 GLY B N 1 ATOM 6998 C CA . GLY B 1 254 ? 2.587 27.136 7.587 1.00 20.39 ? 254 GLY B CA 1 ATOM 6999 C C . GLY B 1 254 ? 3.043 26.308 8.775 1.00 20.20 ? 254 GLY B C 1 ATOM 7000 O O . GLY B 1 254 ? 3.016 26.785 9.913 1.00 20.97 ? 254 GLY B O 1 ATOM 7001 N N . ASP B 1 255 ? 3.494 25.085 8.499 1.00 20.15 ? 255 ASP B N 1 ATOM 7002 C CA . ASP B 1 255 ? 3.749 24.079 9.529 1.00 19.89 ? 255 ASP B CA 1 ATOM 7003 C C . ASP B 1 255 ? 4.836 23.117 9.037 1.00 19.50 ? 255 ASP B C 1 ATOM 7004 O O . ASP B 1 255 ? 4.849 22.751 7.852 1.00 19.87 ? 255 ASP B O 1 ATOM 7005 C CB . ASP B 1 255 ? 2.441 23.330 9.804 1.00 20.14 ? 255 ASP B CB 1 ATOM 7006 C CG . ASP B 1 255 ? 2.601 22.220 10.810 1.00 20.40 ? 255 ASP B CG 1 ATOM 7007 O OD1 . ASP B 1 255 ? 2.974 21.107 10.403 1.00 19.76 ? 255 ASP B OD1 1 ATOM 7008 O OD2 . ASP B 1 255 ? 2.346 22.462 12.005 1.00 20.88 ? 255 ASP B OD2 1 ATOM 7009 N N . MET B 1 256 ? 5.727 22.697 9.939 1.00 19.08 ? 256 MET B N 1 ATOM 7010 C CA . MET B 1 256 ? 6.869 21.817 9.594 1.00 19.13 ? 256 MET B CA 1 ATOM 7011 C C . MET B 1 256 ? 6.438 20.510 8.900 1.00 19.04 ? 256 MET B C 1 ATOM 7012 O O . MET B 1 256 ? 7.166 19.982 8.045 1.00 19.19 ? 256 MET B O 1 ATOM 7013 C CB . MET B 1 256 ? 7.736 21.513 10.834 1.00 18.83 ? 256 MET B CB 1 ATOM 7014 C CG . MET B 1 256 ? 8.983 20.668 10.556 1.00 18.77 ? 256 MET B CG 1 ATOM 7015 S SD . MET B 1 256 ? 10.169 21.454 9.442 1.00 19.65 ? 256 MET B SD 1 ATOM 7016 C CE . MET B 1 256 ? 10.891 22.625 10.588 1.00 19.12 ? 256 MET B CE 1 ATOM 7017 N N . TRP B 1 257 ? 5.264 20.011 9.279 1.00 18.17 ? 257 TRP B N 1 ATOM 7018 C CA . TRP B 1 257 ? 4.728 18.757 8.737 1.00 18.14 ? 257 TRP B CA 1 ATOM 7019 C C . TRP B 1 257 ? 3.590 18.981 7.751 1.00 17.87 ? 257 TRP B C 1 ATOM 7020 O O . TRP B 1 257 ? 2.997 18.019 7.250 1.00 17.83 ? 257 TRP B O 1 ATOM 7021 C CB . TRP B 1 257 ? 4.327 17.808 9.892 1.00 17.58 ? 257 TRP B CB 1 ATOM 7022 C CG . TRP B 1 257 ? 5.479 17.678 10.821 1.00 17.27 ? 257 TRP B CG 1 ATOM 7023 C CD1 . TRP B 1 257 ? 6.543 16.836 10.692 1.00 17.75 ? 257 TRP B CD1 1 ATOM 7024 C CD2 . TRP B 1 257 ? 5.731 18.478 11.979 1.00 17.72 ? 257 TRP B CD2 1 ATOM 7025 N NE1 . TRP B 1 257 ? 7.447 17.046 11.713 1.00 18.14 ? 257 TRP B NE1 1 ATOM 7026 C CE2 . TRP B 1 257 ? 6.980 18.059 12.512 1.00 17.89 ? 257 TRP B CE2 1 ATOM 7027 C CE3 . TRP B 1 257 ? 5.033 19.518 12.611 1.00 17.77 ? 257 TRP B CE3 1 ATOM 7028 C CZ2 . TRP B 1 257 ? 7.536 18.629 13.664 1.00 18.02 ? 257 TRP B CZ2 1 ATOM 7029 C CZ3 . TRP B 1 257 ? 5.591 20.099 13.767 1.00 18.42 ? 257 TRP B CZ3 1 ATOM 7030 C CH2 . TRP B 1 257 ? 6.831 19.646 14.274 1.00 18.24 ? 257 TRP B CH2 1 ATOM 7031 N N . ALA B 1 258 ? 3.322 20.248 7.436 1.00 18.03 ? 258 ALA B N 1 ATOM 7032 C CA . ALA B 1 258 ? 2.181 20.624 6.582 1.00 18.67 ? 258 ALA B CA 1 ATOM 7033 C C . ALA B 1 258 ? 0.875 20.033 7.129 1.00 18.76 ? 258 ALA B C 1 ATOM 7034 O O . ALA B 1 258 ? -0.050 19.775 6.373 1.00 19.00 ? 258 ALA B O 1 ATOM 7035 C CB . ALA B 1 258 ? 2.422 20.185 5.126 1.00 17.78 ? 258 ALA B CB 1 ATOM 7036 N N . GLN B 1 259 ? 0.801 19.835 8.445 1.00 19.74 ? 259 GLN B N 1 ATOM 7037 C CA . GLN B 1 259 ? -0.319 19.096 9.042 1.00 20.62 ? 259 GLN B CA 1 ATOM 7038 C C . GLN B 1 259 ? -1.506 19.988 9.371 1.00 21.73 ? 259 GLN B C 1 ATOM 7039 O O . GLN B 1 259 ? -2.635 19.513 9.509 1.00 22.66 ? 259 GLN B O 1 ATOM 7040 C CB . GLN B 1 259 ? 0.137 18.351 10.296 1.00 20.40 ? 259 GLN B CB 1 ATOM 7041 C CG . GLN B 1 259 ? 0.397 19.231 11.513 1.00 20.44 ? 259 GLN B CG 1 ATOM 7042 C CD . GLN B 1 259 ? 0.903 18.442 12.705 1.00 20.93 ? 259 GLN B CD 1 ATOM 7043 O OE1 . GLN B 1 259 ? 1.923 17.750 12.623 1.00 21.91 ? 259 GLN B OE1 1 ATOM 7044 N NE2 . GLN B 1 259 ? 0.199 18.542 13.823 1.00 20.76 ? 259 GLN B NE2 1 ATOM 7045 N N . SER B 1 260 ? -1.234 21.283 9.466 1.00 22.09 ? 260 SER B N 1 ATOM 7046 C CA . SER B 1 260 ? -2.199 22.270 9.894 1.00 22.89 ? 260 SER B CA 1 ATOM 7047 C C . SER B 1 260 ? -1.881 23.536 9.127 1.00 22.01 ? 260 SER B C 1 ATOM 7048 O O . SER B 1 260 ? -0.723 23.952 9.113 1.00 21.95 ? 260 SER B O 1 ATOM 7049 C CB . SER B 1 260 ? -1.963 22.530 11.369 1.00 23.78 ? 260 SER B CB 1 ATOM 7050 O OG . SER B 1 260 ? -3.042 23.185 11.923 1.00 26.52 ? 260 SER B OG 1 ATOM 7051 N N . TRP B 1 261 ? -2.872 24.168 8.504 1.00 21.06 ? 261 TRP B N 1 ATOM 7052 C CA . TRP B 1 261 ? -2.547 25.290 7.599 1.00 21.44 ? 261 TRP B CA 1 ATOM 7053 C C . TRP B 1 261 ? -2.992 26.664 8.077 1.00 21.95 ? 261 TRP B C 1 ATOM 7054 O O . TRP B 1 261 ? -2.875 27.651 7.336 1.00 22.04 ? 261 TRP B O 1 ATOM 7055 C CB . TRP B 1 261 ? -3.096 25.043 6.189 1.00 21.30 ? 261 TRP B CB 1 ATOM 7056 C CG . TRP B 1 261 ? -2.654 23.778 5.536 1.00 20.94 ? 261 TRP B CG 1 ATOM 7057 C CD1 . TRP B 1 261 ? -1.708 22.887 5.980 1.00 20.69 ? 261 TRP B CD1 1 ATOM 7058 C CD2 . TRP B 1 261 ? -3.133 23.267 4.287 1.00 21.17 ? 261 TRP B CD2 1 ATOM 7059 N NE1 . TRP B 1 261 ? -1.582 21.839 5.080 1.00 20.59 ? 261 TRP B NE1 1 ATOM 7060 C CE2 . TRP B 1 261 ? -2.446 22.053 4.036 1.00 20.92 ? 261 TRP B CE2 1 ATOM 7061 C CE3 . TRP B 1 261 ? -4.092 23.712 3.360 1.00 21.44 ? 261 TRP B CE3 1 ATOM 7062 C CZ2 . TRP B 1 261 ? -2.678 21.283 2.886 1.00 21.15 ? 261 TRP B CZ2 1 ATOM 7063 C CZ3 . TRP B 1 261 ? -4.326 22.943 2.220 1.00 22.07 ? 261 TRP B CZ3 1 ATOM 7064 C CH2 . TRP B 1 261 ? -3.618 21.742 1.995 1.00 21.59 ? 261 TRP B CH2 1 ATOM 7065 N N . GLU B 1 262 ? -3.483 26.737 9.315 1.00 21.60 ? 262 GLU B N 1 ATOM 7066 C CA . GLU B 1 262 ? -4.018 27.987 9.835 1.00 22.77 ? 262 GLU B CA 1 ATOM 7067 C C . GLU B 1 262 ? -3.022 29.159 9.750 1.00 22.43 ? 262 GLU B C 1 ATOM 7068 O O . GLU B 1 262 ? -3.433 30.301 9.529 1.00 22.17 ? 262 GLU B O 1 ATOM 7069 C CB . GLU B 1 262 ? -4.557 27.803 11.268 1.00 23.62 ? 262 GLU B CB 1 ATOM 7070 C CG . GLU B 1 262 ? -3.486 27.657 12.356 1.00 24.52 ? 262 GLU B CG 1 ATOM 7071 C CD . GLU B 1 262 ? -2.915 26.248 12.487 1.00 25.57 ? 262 GLU B CD 1 ATOM 7072 O OE1 . GLU B 1 262 ? -3.434 25.301 11.826 1.00 24.15 ? 262 GLU B OE1 1 ATOM 7073 O OE2 . GLU B 1 262 ? -1.928 26.087 13.251 1.00 24.93 ? 262 GLU B OE2 1 ATOM 7074 N N . ASN B 1 263 ? -1.725 28.868 9.881 1.00 21.95 ? 263 ASN B N 1 ATOM 7075 C CA . ASN B 1 263 ? -0.688 29.902 9.835 1.00 22.74 ? 263 ASN B CA 1 ATOM 7076 C C . ASN B 1 263 ? -0.475 30.577 8.468 1.00 22.89 ? 263 ASN B C 1 ATOM 7077 O O . ASN B 1 263 ? 0.188 31.605 8.395 1.00 22.07 ? 263 ASN B O 1 ATOM 7078 C CB . ASN B 1 263 ? 0.649 29.386 10.364 1.00 23.43 ? 263 ASN B CB 1 ATOM 7079 C CG . ASN B 1 263 ? 0.591 29.008 11.829 1.00 24.62 ? 263 ASN B CG 1 ATOM 7080 O OD1 . ASN B 1 263 ? 0.442 29.877 12.707 1.00 26.78 ? 263 ASN B OD1 1 ATOM 7081 N ND2 . ASN B 1 263 ? 0.711 27.713 12.111 1.00 22.81 ? 263 ASN B ND2 1 ATOM 7082 N N . ILE B 1 264 ? -1.021 30.013 7.391 1.00 22.46 ? 264 ILE B N 1 ATOM 7083 C CA . ILE B 1 264 ? -1.010 30.749 6.110 1.00 22.80 ? 264 ILE B CA 1 ATOM 7084 C C . ILE B 1 264 ? -2.371 31.374 5.820 1.00 23.38 ? 264 ILE B C 1 ATOM 7085 O O . ILE B 1 264 ? -2.657 31.755 4.690 1.00 23.95 ? 264 ILE B O 1 ATOM 7086 C CB . ILE B 1 264 ? -0.500 29.918 4.908 1.00 22.97 ? 264 ILE B CB 1 ATOM 7087 C CG1 . ILE B 1 264 ? -1.327 28.650 4.718 1.00 22.43 ? 264 ILE B CG1 1 ATOM 7088 C CG2 . ILE B 1 264 ? 0.989 29.616 5.055 1.00 22.27 ? 264 ILE B CG2 1 ATOM 7089 C CD1 . ILE B 1 264 ? -1.202 28.052 3.332 1.00 24.20 ? 264 ILE B CD1 1 ATOM 7090 N N . TYR B 1 265 ? -3.211 31.483 6.848 1.00 23.76 ? 265 TYR B N 1 ATOM 7091 C CA . TYR B 1 265 ? -4.484 32.192 6.721 1.00 25.20 ? 265 TYR B CA 1 ATOM 7092 C C . TYR B 1 265 ? -4.320 33.598 6.117 1.00 26.86 ? 265 TYR B C 1 ATOM 7093 O O . TYR B 1 265 ? -5.115 33.993 5.273 1.00 28.09 ? 265 TYR B O 1 ATOM 7094 C CB . TYR B 1 265 ? -5.201 32.256 8.073 1.00 25.68 ? 265 TYR B CB 1 ATOM 7095 C CG . TYR B 1 265 ? -6.527 32.977 8.048 1.00 26.16 ? 265 TYR B CG 1 ATOM 7096 C CD1 . TYR B 1 265 ? -7.633 32.432 7.388 1.00 26.26 ? 265 TYR B CD1 1 ATOM 7097 C CD2 . TYR B 1 265 ? -6.678 34.196 8.700 1.00 27.31 ? 265 TYR B CD2 1 ATOM 7098 C CE1 . TYR B 1 265 ? -8.847 33.096 7.366 1.00 27.66 ? 265 TYR B CE1 1 ATOM 7099 C CE2 . TYR B 1 265 ? -7.891 34.867 8.691 1.00 27.97 ? 265 TYR B CE2 1 ATOM 7100 C CZ . TYR B 1 265 ? -8.970 34.312 8.030 1.00 27.98 ? 265 TYR B CZ 1 ATOM 7101 O OH . TYR B 1 265 ? -10.163 34.980 8.032 1.00 28.72 ? 265 TYR B OH 1 ATOM 7102 N N . ASP B 1 266 ? -3.283 34.336 6.517 1.00 29.45 ? 266 ASP B N 1 ATOM 7103 C CA . ASP B 1 266 ? -3.077 35.701 5.993 1.00 31.96 ? 266 ASP B CA 1 ATOM 7104 C C . ASP B 1 266 ? -2.741 35.756 4.487 1.00 33.11 ? 266 ASP B C 1 ATOM 7105 O O . ASP B 1 266 ? -2.831 36.821 3.870 1.00 32.81 ? 266 ASP B O 1 ATOM 7106 C CB . ASP B 1 266 ? -2.079 36.511 6.848 1.00 33.96 ? 266 ASP B CB 1 ATOM 7107 C CG . ASP B 1 266 ? -0.617 36.089 6.653 1.00 35.86 ? 266 ASP B CG 1 ATOM 7108 O OD1 . ASP B 1 266 ? -0.313 35.191 5.839 1.00 38.08 ? 266 ASP B OD1 1 ATOM 7109 O OD2 . ASP B 1 266 ? 0.249 36.676 7.336 1.00 37.74 ? 266 ASP B OD2 1 ATOM 7110 N N . MET B 1 267 ? -2.388 34.609 3.901 1.00 32.77 ? 267 MET B N 1 ATOM 7111 C CA . MET B 1 267 ? -2.144 34.513 2.452 1.00 33.69 ? 267 MET B CA 1 ATOM 7112 C C . MET B 1 267 ? -3.385 34.135 1.659 1.00 33.29 ? 267 MET B C 1 ATOM 7113 O O . MET B 1 267 ? -3.463 34.428 0.454 1.00 33.90 ? 267 MET B O 1 ATOM 7114 C CB . MET B 1 267 ? -1.074 33.473 2.135 1.00 34.89 ? 267 MET B CB 1 ATOM 7115 C CG . MET B 1 267 ? 0.356 33.886 2.426 1.00 37.57 ? 267 MET B CG 1 ATOM 7116 S SD . MET B 1 267 ? 1.463 32.480 2.170 1.00 41.53 ? 267 MET B SD 1 ATOM 7117 C CE . MET B 1 267 ? 1.454 32.389 0.385 1.00 39.31 ? 267 MET B CE 1 ATOM 7118 N N . VAL B 1 268 ? -4.328 33.455 2.313 1.00 30.93 ? 268 VAL B N 1 ATOM 7119 C CA . VAL B 1 268 ? -5.465 32.840 1.613 1.00 31.10 ? 268 VAL B CA 1 ATOM 7120 C C . VAL B 1 268 ? -6.825 33.445 1.977 1.00 31.53 ? 268 VAL B C 1 ATOM 7121 O O . VAL B 1 268 ? -7.838 33.115 1.343 1.00 31.91 ? 268 VAL B O 1 ATOM 7122 C CB . VAL B 1 268 ? -5.525 31.293 1.813 1.00 30.46 ? 268 VAL B CB 1 ATOM 7123 C CG1 . VAL B 1 268 ? -4.265 30.622 1.286 1.00 30.68 ? 268 VAL B CG1 1 ATOM 7124 C CG2 . VAL B 1 268 ? -5.721 30.933 3.283 1.00 30.34 ? 268 VAL B CG2 1 ATOM 7125 N N . VAL B 1 269 ? -6.847 34.303 2.998 1.00 30.62 ? 269 VAL B N 1 ATOM 7126 C CA . VAL B 1 269 ? -8.071 34.963 3.448 1.00 32.10 ? 269 VAL B CA 1 ATOM 7127 C C . VAL B 1 269 ? -8.704 35.732 2.279 1.00 33.89 ? 269 VAL B C 1 ATOM 7128 O O . VAL B 1 269 ? -8.070 36.629 1.708 1.00 34.79 ? 269 VAL B O 1 ATOM 7129 C CB . VAL B 1 269 ? -7.819 35.858 4.696 1.00 32.00 ? 269 VAL B CB 1 ATOM 7130 C CG1 . VAL B 1 269 ? -6.728 36.900 4.442 1.00 32.64 ? 269 VAL B CG1 1 ATOM 7131 C CG2 . VAL B 1 269 ? -9.105 36.508 5.200 1.00 33.33 ? 269 VAL B CG2 1 ATOM 7132 N N . PRO B 1 270 ? -9.940 35.350 1.890 1.00 33.74 ? 270 PRO B N 1 ATOM 7133 C CA . PRO B 1 270 ? -10.621 36.023 0.769 1.00 34.79 ? 270 PRO B CA 1 ATOM 7134 C C . PRO B 1 270 ? -10.943 37.508 1.003 1.00 35.06 ? 270 PRO B C 1 ATOM 7135 O O . PRO B 1 270 ? -10.967 38.298 0.053 1.00 34.82 ? 270 PRO B O 1 ATOM 7136 C CB . PRO B 1 270 ? -11.917 35.213 0.592 1.00 34.85 ? 270 PRO B CB 1 ATOM 7137 C CG . PRO B 1 270 ? -12.086 34.439 1.860 1.00 33.44 ? 270 PRO B CG 1 ATOM 7138 C CD . PRO B 1 270 ? -10.718 34.212 2.417 1.00 32.52 ? 270 PRO B CD 1 ATOM 7139 N N . PHE B 1 271 ? -11.172 37.883 2.256 1.00 35.38 ? 271 PHE B N 1 ATOM 7140 C CA . PHE B 1 271 ? -11.634 39.226 2.574 1.00 36.61 ? 271 PHE B CA 1 ATOM 7141 C C . PHE B 1 271 ? -10.755 39.888 3.640 1.00 36.83 ? 271 PHE B C 1 ATOM 7142 O O . PHE B 1 271 ? -11.168 40.036 4.795 1.00 35.44 ? 271 PHE B O 1 ATOM 7143 C CB . PHE B 1 271 ? -13.108 39.173 2.991 1.00 37.25 ? 271 PHE B CB 1 ATOM 7144 C CG . PHE B 1 271 ? -13.966 38.382 2.044 1.00 38.29 ? 271 PHE B CG 1 ATOM 7145 C CD1 . PHE B 1 271 ? -14.167 38.817 0.735 1.00 39.73 ? 271 PHE B CD1 1 ATOM 7146 C CD2 . PHE B 1 271 ? -14.556 37.195 2.447 1.00 38.03 ? 271 PHE B CD2 1 ATOM 7147 C CE1 . PHE B 1 271 ? -14.945 38.079 -0.151 1.00 41.33 ? 271 PHE B CE1 1 ATOM 7148 C CE2 . PHE B 1 271 ? -15.348 36.461 1.574 1.00 39.13 ? 271 PHE B CE2 1 ATOM 7149 C CZ . PHE B 1 271 ? -15.539 36.899 0.270 1.00 40.55 ? 271 PHE B CZ 1 ATOM 7150 N N . PRO B 1 272 ? -9.530 40.297 3.250 1.00 38.18 ? 272 PRO B N 1 ATOM 7151 C CA . PRO B 1 272 ? -8.557 40.796 4.244 1.00 39.02 ? 272 PRO B CA 1 ATOM 7152 C C . PRO B 1 272 ? -8.922 42.161 4.834 1.00 40.32 ? 272 PRO B C 1 ATOM 7153 O O . PRO B 1 272 ? -8.291 42.598 5.798 1.00 41.32 ? 272 PRO B O 1 ATOM 7154 C CB . PRO B 1 272 ? -7.232 40.868 3.459 1.00 38.42 ? 272 PRO B CB 1 ATOM 7155 C CG . PRO B 1 272 ? -7.536 40.418 2.062 1.00 38.73 ? 272 PRO B CG 1 ATOM 7156 C CD . PRO B 1 272 ? -9.018 40.397 1.872 1.00 37.96 ? 272 PRO B CD 1 ATOM 7157 N N . ASP B 1 273 ? -9.938 42.809 4.263 1.00 41.17 ? 273 ASP B N 1 ATOM 7158 C CA . ASP B 1 273 ? -10.462 44.082 4.768 1.00 43.90 ? 273 ASP B CA 1 ATOM 7159 C C . ASP B 1 273 ? -11.285 43.910 6.053 1.00 44.11 ? 273 ASP B C 1 ATOM 7160 O O . ASP B 1 273 ? -11.364 44.829 6.877 1.00 42.95 ? 273 ASP B O 1 ATOM 7161 C CB . ASP B 1 273 ? -11.318 44.763 3.697 1.00 46.20 ? 273 ASP B CB 1 ATOM 7162 C CG . ASP B 1 273 ? -12.549 43.948 3.331 1.00 46.89 ? 273 ASP B CG 1 ATOM 7163 O OD1 . ASP B 1 273 ? -12.398 42.771 2.944 1.00 46.14 ? 273 ASP B OD1 1 ATOM 7164 O OD2 . ASP B 1 273 ? -13.668 44.485 3.449 1.00 49.96 ? 273 ASP B OD2 1 ATOM 7165 N N . LYS B 1 274 ? -11.897 42.734 6.209 1.00 44.45 ? 274 LYS B N 1 ATOM 7166 C CA . LYS B 1 274 ? -12.655 42.392 7.422 1.00 44.40 ? 274 LYS B CA 1 ATOM 7167 C C . LYS B 1 274 ? -11.686 42.217 8.587 1.00 43.10 ? 274 LYS B C 1 ATOM 7168 O O . LYS B 1 274 ? -10.490 42.029 8.356 1.00 44.11 ? 274 LYS B O 1 ATOM 7169 C CB . LYS B 1 274 ? -13.465 41.110 7.212 1.00 43.79 ? 274 LYS B CB 1 ATOM 7170 C CG . LYS B 1 274 ? -14.146 40.991 5.856 1.00 46.77 ? 274 LYS B CG 1 ATOM 7171 C CD . LYS B 1 274 ? -15.404 41.834 5.745 1.00 49.91 ? 274 LYS B CD 1 ATOM 7172 C CE . LYS B 1 274 ? -16.605 41.115 6.331 1.00 50.59 ? 274 LYS B CE 1 ATOM 7173 N NZ . LYS B 1 274 ? -17.795 42.006 6.308 1.00 53.32 ? 274 LYS B NZ 1 ATOM 7174 N N . PRO B 1 275 ? -12.188 42.275 9.840 1.00 42.36 ? 275 PRO B N 1 ATOM 7175 C CA . PRO B 1 275 ? -11.313 42.109 11.005 1.00 41.13 ? 275 PRO B CA 1 ATOM 7176 C C . PRO B 1 275 ? -10.514 40.809 10.971 1.00 38.58 ? 275 PRO B C 1 ATOM 7177 O O . PRO B 1 275 ? -11.022 39.778 10.531 1.00 37.10 ? 275 PRO B O 1 ATOM 7178 C CB . PRO B 1 275 ? -12.295 42.106 12.181 1.00 41.72 ? 275 PRO B CB 1 ATOM 7179 C CG . PRO B 1 275 ? -13.444 42.925 11.698 1.00 43.01 ? 275 PRO B CG 1 ATOM 7180 C CD . PRO B 1 275 ? -13.576 42.582 10.242 1.00 43.27 ? 275 PRO B CD 1 ATOM 7181 N N . ASN B 1 276 ? -9.263 40.878 11.411 1.00 38.30 ? 276 ASN B N 1 ATOM 7182 C CA . ASN B 1 276 ? -8.381 39.714 11.427 1.00 37.43 ? 276 ASN B CA 1 ATOM 7183 C C . ASN B 1 276 ? -8.825 38.705 12.491 1.00 36.84 ? 276 ASN B C 1 ATOM 7184 O O . ASN B 1 276 ? -8.733 38.977 13.696 1.00 35.57 ? 276 ASN B O 1 ATOM 7185 C CB . ASN B 1 276 ? -6.928 40.148 11.661 1.00 38.08 ? 276 ASN B CB 1 ATOM 7186 C CG . ASN B 1 276 ? -5.921 39.054 11.319 1.00 38.12 ? 276 ASN B CG 1 ATOM 7187 O OD1 . ASN B 1 276 ? -6.284 37.967 10.872 1.00 38.07 ? 276 ASN B OD1 1 ATOM 7188 N ND2 . ASN B 1 276 ? -4.648 39.344 11.530 1.00 38.79 ? 276 ASN B ND2 1 ATOM 7189 N N . LEU B 1 277 ? -9.315 37.549 12.038 1.00 35.45 ? 277 LEU B N 1 ATOM 7190 C CA . LEU B 1 277 ? -9.797 36.500 12.935 1.00 34.40 ? 277 LEU B CA 1 ATOM 7191 C C . LEU B 1 277 ? -8.676 35.714 13.590 1.00 34.15 ? 277 LEU B C 1 ATOM 7192 O O . LEU B 1 277 ? -8.936 34.866 14.448 1.00 35.64 ? 277 LEU B O 1 ATOM 7193 C CB . LEU B 1 277 ? -10.748 35.540 12.215 1.00 34.12 ? 277 LEU B CB 1 ATOM 7194 C CG . LEU B 1 277 ? -12.098 36.102 11.773 1.00 35.13 ? 277 LEU B CG 1 ATOM 7195 C CD1 . LEU B 1 277 ? -12.828 35.077 10.935 1.00 33.87 ? 277 LEU B CD1 1 ATOM 7196 C CD2 . LEU B 1 277 ? -12.952 36.531 12.957 1.00 34.84 ? 277 LEU B CD2 1 ATOM 7197 N N . ASP B 1 278 ? -7.440 35.975 13.170 1.00 34.25 ? 278 ASP B N 1 ATOM 7198 C CA . ASP B 1 278 ? -6.262 35.505 13.888 1.00 33.12 ? 278 ASP B CA 1 ATOM 7199 C C . ASP B 1 278 ? -5.910 36.584 14.905 1.00 31.75 ? 278 ASP B C 1 ATOM 7200 O O . ASP B 1 278 ? -5.391 37.659 14.549 1.00 30.56 ? 278 ASP B O 1 ATOM 7201 C CB . ASP B 1 278 ? -5.085 35.225 12.931 1.00 35.80 ? 278 ASP B CB 1 ATOM 7202 C CG . ASP B 1 278 ? -3.765 34.969 13.672 1.00 37.81 ? 278 ASP B CG 1 ATOM 7203 O OD1 . ASP B 1 278 ? -3.792 34.605 14.869 1.00 40.03 ? 278 ASP B OD1 1 ATOM 7204 O OD2 . ASP B 1 278 ? -2.691 35.148 13.066 1.00 38.74 ? 278 ASP B OD2 1 ATOM 7205 N N . VAL B 1 279 ? -6.192 36.286 16.172 1.00 28.90 ? 279 VAL B N 1 ATOM 7206 C CA . VAL B 1 279 ? -6.100 37.284 17.237 1.00 27.68 ? 279 VAL B CA 1 ATOM 7207 C C . VAL B 1 279 ? -4.704 37.349 17.851 1.00 26.90 ? 279 VAL B C 1 ATOM 7208 O O . VAL B 1 279 ? -4.504 37.997 18.878 1.00 26.90 ? 279 VAL B O 1 ATOM 7209 C CB . VAL B 1 279 ? -7.177 37.045 18.321 1.00 27.57 ? 279 VAL B CB 1 ATOM 7210 C CG1 . VAL B 1 279 ? -8.558 37.194 17.703 1.00 27.93 ? 279 VAL B CG1 1 ATOM 7211 C CG2 . VAL B 1 279 ? -7.030 35.669 18.957 1.00 26.79 ? 279 VAL B CG2 1 ATOM 7212 N N . THR B 1 280 ? -3.737 36.686 17.207 1.00 26.06 ? 280 THR B N 1 ATOM 7213 C CA . THR B 1 280 ? -2.353 36.643 17.698 1.00 25.64 ? 280 THR B CA 1 ATOM 7214 C C . THR B 1 280 ? -1.810 38.038 17.973 1.00 26.78 ? 280 THR B C 1 ATOM 7215 O O . THR B 1 280 ? -1.334 38.316 19.087 1.00 26.29 ? 280 THR B O 1 ATOM 7216 C CB . THR B 1 280 ? -1.410 35.889 16.723 1.00 25.68 ? 280 THR B CB 1 ATOM 7217 O OG1 . THR B 1 280 ? -1.757 34.504 16.697 1.00 24.58 ? 280 THR B OG1 1 ATOM 7218 C CG2 . THR B 1 280 ? 0.061 36.026 17.142 1.00 25.31 ? 280 THR B CG2 1 ATOM 7219 N N . SER B 1 281 ? -1.890 38.921 16.972 1.00 27.46 ? 281 SER B N 1 ATOM 7220 C CA . SER B 1 281 ? -1.353 40.279 17.144 1.00 29.12 ? 281 SER B CA 1 ATOM 7221 C C . SER B 1 281 ? -2.056 41.063 18.263 1.00 28.68 ? 281 SER B C 1 ATOM 7222 O O . SER B 1 281 ? -1.423 41.867 18.947 1.00 28.82 ? 281 SER B O 1 ATOM 7223 C CB . SER B 1 281 ? -1.335 41.065 15.824 1.00 30.51 ? 281 SER B CB 1 ATOM 7224 O OG . SER B 1 281 ? -2.632 41.495 15.462 1.00 31.30 ? 281 SER B OG 1 ATOM 7225 N N . THR B 1 282 ? -3.353 40.827 18.452 1.00 28.21 ? 282 THR B N 1 ATOM 7226 C CA . THR B 1 282 ? -4.072 41.429 19.581 1.00 27.75 ? 282 THR B CA 1 ATOM 7227 C C . THR B 1 282 ? -3.641 40.838 20.933 1.00 27.25 ? 282 THR B C 1 ATOM 7228 O O . THR B 1 282 ? -3.548 41.561 21.928 1.00 26.68 ? 282 THR B O 1 ATOM 7229 C CB . THR B 1 282 ? -5.591 41.319 19.404 1.00 28.33 ? 282 THR B CB 1 ATOM 7230 O OG1 . THR B 1 282 ? -5.965 42.019 18.216 1.00 29.74 ? 282 THR B OG1 1 ATOM 7231 C CG2 . THR B 1 282 ? -6.344 41.917 20.606 1.00 28.19 ? 282 THR B CG2 1 ATOM 7232 N N . MET B 1 283 ? -3.382 39.528 20.977 1.00 26.36 ? 283 MET B N 1 ATOM 7233 C CA . MET B 1 283 ? -2.885 38.904 22.209 1.00 25.68 ? 283 MET B CA 1 ATOM 7234 C C . MET B 1 283 ? -1.546 39.529 22.582 1.00 26.71 ? 283 MET B C 1 ATOM 7235 O O . MET B 1 283 ? -1.299 39.835 23.746 1.00 26.35 ? 283 MET B O 1 ATOM 7236 C CB . MET B 1 283 ? -2.716 37.398 22.043 1.00 24.36 ? 283 MET B CB 1 ATOM 7237 C CG . MET B 1 283 ? -4.016 36.634 21.920 1.00 23.18 ? 283 MET B CG 1 ATOM 7238 S SD . MET B 1 283 ? -3.718 34.902 21.531 1.00 23.75 ? 283 MET B SD 1 ATOM 7239 C CE . MET B 1 283 ? -3.089 34.270 23.086 1.00 21.45 ? 283 MET B CE 1 ATOM 7240 N N . LEU B 1 284 ? -0.690 39.723 21.579 1.00 27.52 ? 284 LEU B N 1 ATOM 7241 C CA . LEU B 1 284 ? 0.606 40.370 21.799 1.00 29.53 ? 284 LEU B CA 1 ATOM 7242 C C . LEU B 1 284 ? 0.433 41.853 22.156 1.00 31.16 ? 284 LEU B C 1 ATOM 7243 O O . LEU B 1 284 ? 1.043 42.342 23.111 1.00 31.14 ? 284 LEU B O 1 ATOM 7244 C CB . LEU B 1 284 ? 1.501 40.197 20.571 1.00 30.44 ? 284 LEU B CB 1 ATOM 7245 C CG . LEU B 1 284 ? 1.930 38.750 20.291 1.00 30.51 ? 284 LEU B CG 1 ATOM 7246 C CD1 . LEU B 1 284 ? 2.499 38.600 18.883 1.00 31.52 ? 284 LEU B CD1 1 ATOM 7247 C CD2 . LEU B 1 284 ? 2.928 38.273 21.340 1.00 30.17 ? 284 LEU B CD2 1 ATOM 7248 N N . GLN B 1 285 ? -0.420 42.551 21.404 1.00 32.09 ? 285 GLN B N 1 ATOM 7249 C CA . GLN B 1 285 ? -0.729 43.962 21.677 1.00 33.44 ? 285 GLN B CA 1 ATOM 7250 C C . GLN B 1 285 ? -1.227 44.153 23.113 1.00 31.96 ? 285 GLN B C 1 ATOM 7251 O O . GLN B 1 285 ? -0.803 45.082 23.791 1.00 31.04 ? 285 GLN B O 1 ATOM 7252 C CB . GLN B 1 285 ? -1.753 44.489 20.663 1.00 36.59 ? 285 GLN B CB 1 ATOM 7253 C CG . GLN B 1 285 ? -2.309 45.881 20.953 1.00 41.20 ? 285 GLN B CG 1 ATOM 7254 C CD . GLN B 1 285 ? -3.819 45.941 20.769 1.00 44.23 ? 285 GLN B CD 1 ATOM 7255 O OE1 . GLN B 1 285 ? -4.333 45.810 19.652 1.00 46.85 ? 285 GLN B OE1 1 ATOM 7256 N NE2 . GLN B 1 285 ? -4.542 46.127 21.872 1.00 44.43 ? 285 GLN B NE2 1 ATOM 7257 N N . GLN B 1 286 ? -2.093 43.242 23.580 1.00 30.24 ? 286 GLN B N 1 ATOM 7258 C CA . GLN B 1 286 ? -2.658 43.295 24.941 1.00 28.59 ? 286 GLN B CA 1 ATOM 7259 C C . GLN B 1 286 ? -1.736 42.753 26.032 1.00 27.90 ? 286 GLN B C 1 ATOM 7260 O O . GLN B 1 286 ? -2.016 42.916 27.228 1.00 27.34 ? 286 GLN B O 1 ATOM 7261 C CB . GLN B 1 286 ? -4.008 42.563 25.003 1.00 28.74 ? 286 GLN B CB 1 ATOM 7262 C CG . GLN B 1 286 ? -5.156 43.295 24.329 1.00 28.83 ? 286 GLN B CG 1 ATOM 7263 C CD . GLN B 1 286 ? -6.452 42.494 24.346 1.00 29.06 ? 286 GLN B CD 1 ATOM 7264 O OE1 . GLN B 1 286 ? -6.531 41.400 24.929 1.00 27.03 ? 286 GLN B OE1 1 ATOM 7265 N NE2 . GLN B 1 286 ? -7.479 43.035 23.695 1.00 29.12 ? 286 GLN B NE2 1 ATOM 7266 N N . GLY B 1 287 ? -0.648 42.098 25.637 1.00 27.04 ? 287 GLY B N 1 ATOM 7267 C CA . GLY B 1 287 ? 0.327 41.616 26.613 1.00 25.64 ? 287 GLY B CA 1 ATOM 7268 C C . GLY B 1 287 ? -0.017 40.298 27.288 1.00 25.10 ? 287 GLY B C 1 ATOM 7269 O O . GLY B 1 287 ? 0.364 40.055 28.429 1.00 24.12 ? 287 GLY B O 1 ATOM 7270 N N . TRP B 1 288 ? -0.718 39.422 26.576 1.00 24.87 ? 288 TRP B N 1 ATOM 7271 C CA . TRP B 1 288 ? -0.998 38.097 27.103 1.00 24.71 ? 288 TRP B CA 1 ATOM 7272 C C . TRP B 1 288 ? 0.298 37.327 27.374 1.00 24.95 ? 288 TRP B C 1 ATOM 7273 O O . TRP B 1 288 ? 1.278 37.485 26.648 1.00 24.41 ? 288 TRP B O 1 ATOM 7274 C CB . TRP B 1 288 ? -1.866 37.325 26.115 1.00 23.38 ? 288 TRP B CB 1 ATOM 7275 C CG . TRP B 1 288 ? -3.316 37.740 26.098 1.00 23.03 ? 288 TRP B CG 1 ATOM 7276 C CD1 . TRP B 1 288 ? -3.832 38.969 25.769 1.00 23.28 ? 288 TRP B CD1 1 ATOM 7277 C CD2 . TRP B 1 288 ? -4.441 36.892 26.362 1.00 22.39 ? 288 TRP B CD2 1 ATOM 7278 N NE1 . TRP B 1 288 ? -5.210 38.939 25.837 1.00 23.17 ? 288 TRP B NE1 1 ATOM 7279 C CE2 . TRP B 1 288 ? -5.607 37.675 26.192 1.00 22.69 ? 288 TRP B CE2 1 ATOM 7280 C CE3 . TRP B 1 288 ? -4.574 35.544 26.730 1.00 21.78 ? 288 TRP B CE3 1 ATOM 7281 C CZ2 . TRP B 1 288 ? -6.894 37.155 26.389 1.00 22.36 ? 288 TRP B CZ2 1 ATOM 7282 C CZ3 . TRP B 1 288 ? -5.850 35.027 26.916 1.00 21.70 ? 288 TRP B CZ3 1 ATOM 7283 C CH2 . TRP B 1 288 ? -6.988 35.830 26.748 1.00 22.36 ? 288 TRP B CH2 1 ATOM 7284 N N . GLN B 1 289 ? 0.296 36.520 28.431 1.00 24.55 ? 289 GLN B N 1 ATOM 7285 C CA . GLN B 1 289 ? 1.385 35.587 28.713 1.00 25.57 ? 289 GLN B CA 1 ATOM 7286 C C . GLN B 1 289 ? 0.844 34.164 28.884 1.00 23.94 ? 289 GLN B C 1 ATOM 7287 O O . GLN B 1 289 ? -0.367 33.963 28.936 1.00 21.79 ? 289 GLN B O 1 ATOM 7288 C CB . GLN B 1 289 ? 2.152 36.003 29.975 1.00 27.59 ? 289 GLN B CB 1 ATOM 7289 C CG . GLN B 1 289 ? 2.821 37.369 29.913 1.00 32.01 ? 289 GLN B CG 1 ATOM 7290 C CD . GLN B 1 289 ? 3.838 37.482 28.790 1.00 34.72 ? 289 GLN B CD 1 ATOM 7291 O OE1 . GLN B 1 289 ? 4.414 36.483 28.335 1.00 36.97 ? 289 GLN B OE1 1 ATOM 7292 N NE2 . GLN B 1 289 ? 4.068 38.708 28.336 1.00 38.41 ? 289 GLN B NE2 1 ATOM 7293 N N . ALA B 1 290 ? 1.748 33.186 28.980 1.00 23.20 ? 290 ALA B N 1 ATOM 7294 C CA . ALA B 1 290 ? 1.361 31.811 29.255 1.00 23.66 ? 290 ALA B CA 1 ATOM 7295 C C . ALA B 1 290 ? 0.384 31.708 30.435 1.00 24.37 ? 290 ALA B C 1 ATOM 7296 O O . ALA B 1 290 ? -0.628 31.000 30.328 1.00 23.91 ? 290 ALA B O 1 ATOM 7297 C CB . ALA B 1 290 ? 2.580 30.921 29.470 1.00 23.60 ? 290 ALA B CB 1 ATOM 7298 N N . THR B 1 291 ? 0.658 32.433 31.529 1.00 24.63 ? 291 THR B N 1 ATOM 7299 C CA . THR B 1 291 ? -0.250 32.447 32.709 1.00 25.94 ? 291 THR B CA 1 ATOM 7300 C C . THR B 1 291 ? -1.704 32.783 32.349 1.00 24.18 ? 291 THR B C 1 ATOM 7301 O O . THR B 1 291 ? -2.629 32.064 32.746 1.00 24.47 ? 291 THR B O 1 ATOM 7302 C CB . THR B 1 291 ? 0.226 33.417 33.833 1.00 27.36 ? 291 THR B CB 1 ATOM 7303 O OG1 . THR B 1 291 ? 1.517 33.013 34.301 1.00 31.82 ? 291 THR B OG1 1 ATOM 7304 C CG2 . THR B 1 291 ? -0.715 33.350 35.015 1.00 27.84 ? 291 THR B CG2 1 ATOM 7305 N N . HIS B 1 292 ? -1.906 33.866 31.598 1.00 23.58 ? 292 HIS B N 1 ATOM 7306 C CA . HIS B 1 292 ? -3.258 34.276 31.178 1.00 23.06 ? 292 HIS B CA 1 ATOM 7307 C C . HIS B 1 292 ? -3.963 33.214 30.351 1.00 21.46 ? 292 HIS B C 1 ATOM 7308 O O . HIS B 1 292 ? -5.166 32.966 30.532 1.00 21.01 ? 292 HIS B O 1 ATOM 7309 C CB . HIS B 1 292 ? -3.227 35.575 30.371 1.00 24.23 ? 292 HIS B CB 1 ATOM 7310 C CG . HIS B 1 292 ? -2.526 36.699 31.063 1.00 26.26 ? 292 HIS B CG 1 ATOM 7311 N ND1 . HIS B 1 292 ? -1.200 37.002 30.829 1.00 26.47 ? 292 HIS B ND1 1 ATOM 7312 C CD2 . HIS B 1 292 ? -2.962 37.593 31.984 1.00 26.60 ? 292 HIS B CD2 1 ATOM 7313 C CE1 . HIS B 1 292 ? -0.851 38.038 31.577 1.00 27.53 ? 292 HIS B CE1 1 ATOM 7314 N NE2 . HIS B 1 292 ? -1.902 38.418 32.282 1.00 26.97 ? 292 HIS B NE2 1 ATOM 7315 N N . MET B 1 293 ? -3.221 32.610 29.423 1.00 19.76 ? 293 MET B N 1 ATOM 7316 C CA . MET B 1 293 ? -3.786 31.619 28.506 1.00 18.66 ? 293 MET B CA 1 ATOM 7317 C C . MET B 1 293 ? -4.324 30.424 29.297 1.00 18.16 ? 293 MET B C 1 ATOM 7318 O O . MET B 1 293 ? -5.436 29.960 29.049 1.00 17.65 ? 293 MET B O 1 ATOM 7319 C CB . MET B 1 293 ? -2.719 31.186 27.487 1.00 18.84 ? 293 MET B CB 1 ATOM 7320 C CG . MET B 1 293 ? -2.256 32.337 26.596 1.00 19.38 ? 293 MET B CG 1 ATOM 7321 S SD . MET B 1 293 ? -0.728 32.080 25.650 1.00 19.91 ? 293 MET B SD 1 ATOM 7322 C CE . MET B 1 293 ? -1.216 30.780 24.523 1.00 18.82 ? 293 MET B CE 1 ATOM 7323 N N . PHE B 1 294 ? -3.520 29.936 30.242 1.00 17.90 ? 294 PHE B N 1 ATOM 7324 C CA . PHE B 1 294 ? -3.919 28.818 31.118 1.00 17.73 ? 294 PHE B CA 1 ATOM 7325 C C . PHE B 1 294 ? -5.098 29.156 32.045 1.00 17.43 ? 294 PHE B C 1 ATOM 7326 O O . PHE B 1 294 ? -5.992 28.326 32.226 1.00 17.09 ? 294 PHE B O 1 ATOM 7327 C CB . PHE B 1 294 ? -2.707 28.250 31.888 1.00 18.10 ? 294 PHE B CB 1 ATOM 7328 C CG . PHE B 1 294 ? -1.852 27.313 31.054 1.00 18.74 ? 294 PHE B CG 1 ATOM 7329 C CD1 . PHE B 1 294 ? -0.860 27.811 30.204 1.00 19.33 ? 294 PHE B CD1 1 ATOM 7330 C CD2 . PHE B 1 294 ? -2.059 25.932 31.096 1.00 19.17 ? 294 PHE B CD2 1 ATOM 7331 C CE1 . PHE B 1 294 ? -0.086 26.947 29.424 1.00 19.25 ? 294 PHE B CE1 1 ATOM 7332 C CE2 . PHE B 1 294 ? -1.295 25.058 30.309 1.00 19.27 ? 294 PHE B CE2 1 ATOM 7333 C CZ . PHE B 1 294 ? -0.316 25.568 29.469 1.00 19.61 ? 294 PHE B CZ 1 ATOM 7334 N N . ARG B 1 295 ? -5.125 30.371 32.590 1.00 17.95 ? 295 ARG B N 1 ATOM 7335 C CA . ARG B 1 295 ? -6.250 30.809 33.470 1.00 18.55 ? 295 ARG B CA 1 ATOM 7336 C C . ARG B 1 295 ? -7.557 31.002 32.681 1.00 18.63 ? 295 ARG B C 1 ATOM 7337 O O . ARG B 1 295 ? -8.642 30.625 33.131 1.00 19.36 ? 295 ARG B O 1 ATOM 7338 C CB . ARG B 1 295 ? -5.870 32.084 34.242 1.00 18.26 ? 295 ARG B CB 1 ATOM 7339 C CG . ARG B 1 295 ? -4.837 31.843 35.337 1.00 18.69 ? 295 ARG B CG 1 ATOM 7340 C CD . ARG B 1 295 ? -5.427 31.032 36.491 1.00 18.74 ? 295 ARG B CD 1 ATOM 7341 N NE . ARG B 1 295 ? -4.455 30.774 37.549 1.00 19.10 ? 295 ARG B NE 1 ATOM 7342 C CZ . ARG B 1 295 ? -4.703 30.062 38.649 1.00 19.47 ? 295 ARG B CZ 1 ATOM 7343 N NH1 . ARG B 1 295 ? -5.902 29.519 38.861 1.00 19.50 ? 295 ARG B NH1 1 ATOM 7344 N NH2 . ARG B 1 295 ? -3.746 29.893 39.549 1.00 20.06 ? 295 ARG B NH2 1 ATOM 7345 N N . VAL B 1 296 ? -7.435 31.544 31.475 1.00 18.51 ? 296 VAL B N 1 ATOM 7346 C CA . VAL B 1 296 ? -8.575 31.695 30.585 1.00 18.58 ? 296 VAL B CA 1 ATOM 7347 C C . VAL B 1 296 ? -9.134 30.327 30.160 1.00 18.49 ? 296 VAL B C 1 ATOM 7348 O O . VAL B 1 296 ? -10.347 30.128 30.186 1.00 18.77 ? 296 VAL B O 1 ATOM 7349 C CB . VAL B 1 296 ? -8.227 32.602 29.380 1.00 19.11 ? 296 VAL B CB 1 ATOM 7350 C CG1 . VAL B 1 296 ? -9.315 32.544 28.316 1.00 19.45 ? 296 VAL B CG1 1 ATOM 7351 C CG2 . VAL B 1 296 ? -8.049 34.033 29.858 1.00 19.06 ? 296 VAL B CG2 1 ATOM 7352 N N . ALA B 1 297 ? -8.256 29.381 29.809 1.00 18.04 ? 297 ALA B N 1 ATOM 7353 C CA . ALA B 1 297 ? -8.680 28.002 29.507 1.00 17.70 ? 297 ALA B CA 1 ATOM 7354 C C . ALA B 1 297 ? -9.375 27.370 30.713 1.00 18.37 ? 297 ALA B C 1 ATOM 7355 O O . ALA B 1 297 ? -10.450 26.763 30.579 1.00 17.70 ? 297 ALA B O 1 ATOM 7356 C CB . ALA B 1 297 ? -7.494 27.144 29.071 1.00 17.18 ? 297 ALA B CB 1 ATOM 7357 N N . GLU B 1 298 ? -8.749 27.498 31.884 1.00 18.79 ? 298 GLU B N 1 ATOM 7358 C CA . GLU B 1 298 ? -9.321 26.973 33.129 1.00 20.01 ? 298 GLU B CA 1 ATOM 7359 C C . GLU B 1 298 ? -10.734 27.499 33.377 1.00 20.34 ? 298 GLU B C 1 ATOM 7360 O O . GLU B 1 298 ? -11.639 26.731 33.685 1.00 20.63 ? 298 GLU B O 1 ATOM 7361 C CB . GLU B 1 298 ? -8.412 27.292 34.316 1.00 20.38 ? 298 GLU B CB 1 ATOM 7362 C CG . GLU B 1 298 ? -8.986 26.893 35.674 1.00 21.44 ? 298 GLU B CG 1 ATOM 7363 C CD . GLU B 1 298 ? -8.122 27.357 36.832 1.00 22.49 ? 298 GLU B CD 1 ATOM 7364 O OE1 . GLU B 1 298 ? -7.835 28.577 36.931 1.00 22.78 ? 298 GLU B OE1 1 ATOM 7365 O OE2 . GLU B 1 298 ? -7.756 26.494 37.664 1.00 23.49 ? 298 GLU B OE2 1 ATOM 7366 N N . GLU B 1 299 ? -10.919 28.807 33.225 1.00 21.08 ? 299 GLU B N 1 ATOM 7367 C CA . GLU B 1 299 ? -12.212 29.417 33.498 1.00 21.62 ? 299 GLU B CA 1 ATOM 7368 C C . GLU B 1 299 ? -13.295 28.899 32.551 1.00 21.30 ? 299 GLU B C 1 ATOM 7369 O O . GLU B 1 299 ? -14.471 28.836 32.935 1.00 21.53 ? 299 GLU B O 1 ATOM 7370 C CB . GLU B 1 299 ? -12.118 30.939 33.451 1.00 22.45 ? 299 GLU B CB 1 ATOM 7371 C CG . GLU B 1 299 ? -13.254 31.650 34.171 1.00 23.32 ? 299 GLU B CG 1 ATOM 7372 C CD . GLU B 1 299 ? -14.489 31.829 33.294 1.00 24.35 ? 299 GLU B CD 1 ATOM 7373 O OE1 . GLU B 1 299 ? -14.340 32.086 32.077 1.00 24.46 ? 299 GLU B OE1 1 ATOM 7374 O OE2 . GLU B 1 299 ? -15.614 31.721 33.823 1.00 24.74 ? 299 GLU B OE2 1 ATOM 7375 N N . PHE B 1 300 ? -12.922 28.528 31.324 1.00 20.91 ? 300 PHE B N 1 ATOM 7376 C CA . PHE B 1 300 ? -13.911 27.902 30.423 1.00 21.42 ? 300 PHE B CA 1 ATOM 7377 C C . PHE B 1 300 ? -14.393 26.594 31.048 1.00 21.02 ? 300 PHE B C 1 ATOM 7378 O O . PHE B 1 300 ? -15.598 26.353 31.121 1.00 21.66 ? 300 PHE B O 1 ATOM 7379 C CB . PHE B 1 300 ? -13.381 27.682 28.997 1.00 21.62 ? 300 PHE B CB 1 ATOM 7380 C CG . PHE B 1 300 ? -14.476 27.544 27.953 1.00 22.59 ? 300 PHE B CG 1 ATOM 7381 C CD1 . PHE B 1 300 ? -15.327 26.437 27.937 1.00 23.08 ? 300 PHE B CD1 1 ATOM 7382 C CD2 . PHE B 1 300 ? -14.663 28.523 26.994 1.00 22.98 ? 300 PHE B CD2 1 ATOM 7383 C CE1 . PHE B 1 300 ? -16.330 26.305 26.977 1.00 23.57 ? 300 PHE B CE1 1 ATOM 7384 C CE2 . PHE B 1 300 ? -15.659 28.398 26.028 1.00 23.63 ? 300 PHE B CE2 1 ATOM 7385 C CZ . PHE B 1 300 ? -16.501 27.292 26.026 1.00 23.73 ? 300 PHE B CZ 1 ATOM 7386 N N . PHE B 1 301 ? -13.458 25.773 31.520 1.00 20.84 ? 301 PHE B N 1 ATOM 7387 C CA . PHE B 1 301 ? -13.800 24.499 32.172 1.00 21.41 ? 301 PHE B CA 1 ATOM 7388 C C . PHE B 1 301 ? -14.704 24.671 33.395 1.00 22.21 ? 301 PHE B C 1 ATOM 7389 O O . PHE B 1 301 ? -15.702 23.950 33.539 1.00 23.03 ? 301 PHE B O 1 ATOM 7390 C CB . PHE B 1 301 ? -12.540 23.726 32.579 1.00 20.52 ? 301 PHE B CB 1 ATOM 7391 C CG . PHE B 1 301 ? -11.853 23.035 31.432 1.00 20.64 ? 301 PHE B CG 1 ATOM 7392 C CD1 . PHE B 1 301 ? -12.220 21.750 31.057 1.00 20.38 ? 301 PHE B CD1 1 ATOM 7393 C CD2 . PHE B 1 301 ? -10.818 23.663 30.741 1.00 20.20 ? 301 PHE B CD2 1 ATOM 7394 C CE1 . PHE B 1 301 ? -11.584 21.104 29.998 1.00 20.94 ? 301 PHE B CE1 1 ATOM 7395 C CE2 . PHE B 1 301 ? -10.179 23.026 29.681 1.00 20.75 ? 301 PHE B CE2 1 ATOM 7396 C CZ . PHE B 1 301 ? -10.564 21.741 29.305 1.00 20.36 ? 301 PHE B CZ 1 ATOM 7397 N N . THR B 1 302 ? -14.356 25.616 34.271 1.00 22.32 ? 302 THR B N 1 ATOM 7398 C CA . THR B 1 302 ? -15.152 25.853 35.486 1.00 22.86 ? 302 THR B CA 1 ATOM 7399 C C . THR B 1 302 ? -16.518 26.457 35.136 1.00 24.15 ? 302 THR B C 1 ATOM 7400 O O . THR B 1 302 ? -17.493 26.203 35.840 1.00 23.68 ? 302 THR B O 1 ATOM 7401 C CB . THR B 1 302 ? -14.412 26.717 36.530 1.00 23.49 ? 302 THR B CB 1 ATOM 7402 O OG1 . THR B 1 302 ? -14.018 27.958 35.938 1.00 23.26 ? 302 THR B OG1 1 ATOM 7403 C CG2 . THR B 1 302 ? -13.160 26.004 37.037 1.00 22.66 ? 302 THR B CG2 1 ATOM 7404 N N . SER B 1 303 ? -16.594 27.209 34.030 1.00 24.47 ? 303 SER B N 1 ATOM 7405 C CA . SER B 1 303 ? -17.880 27.745 33.538 1.00 25.76 ? 303 SER B CA 1 ATOM 7406 C C . SER B 1 303 ? -18.872 26.627 33.247 1.00 26.14 ? 303 SER B C 1 ATOM 7407 O O . SER B 1 303 ? -20.080 26.831 33.332 1.00 27.23 ? 303 SER B O 1 ATOM 7408 C CB . SER B 1 303 ? -17.700 28.611 32.278 1.00 25.52 ? 303 SER B CB 1 ATOM 7409 O OG . SER B 1 303 ? -17.851 27.857 31.076 1.00 25.61 ? 303 SER B OG 1 ATOM 7410 N N . LEU B 1 304 ? -18.339 25.460 32.891 1.00 25.95 ? 304 LEU B N 1 ATOM 7411 C CA . LEU B 1 304 ? -19.113 24.247 32.620 1.00 26.80 ? 304 LEU B CA 1 ATOM 7412 C C . LEU B 1 304 ? -19.392 23.418 33.876 1.00 27.32 ? 304 LEU B C 1 ATOM 7413 O O . LEU B 1 304 ? -19.991 22.345 33.787 1.00 28.26 ? 304 LEU B O 1 ATOM 7414 C CB . LEU B 1 304 ? -18.378 23.368 31.586 1.00 26.30 ? 304 LEU B CB 1 ATOM 7415 C CG . LEU B 1 304 ? -18.155 23.963 30.193 1.00 26.47 ? 304 LEU B CG 1 ATOM 7416 C CD1 . LEU B 1 304 ? -17.333 23.023 29.313 1.00 26.58 ? 304 LEU B CD1 1 ATOM 7417 C CD2 . LEU B 1 304 ? -19.483 24.279 29.525 1.00 27.52 ? 304 LEU B CD2 1 ATOM 7418 N N . GLU B 1 305 ? -18.973 23.929 35.033 1.00 27.41 ? 305 GLU B N 1 ATOM 7419 C CA . GLU B 1 305 ? -18.982 23.193 36.301 1.00 28.50 ? 305 GLU B CA 1 ATOM 7420 C C . GLU B 1 305 ? -18.078 21.959 36.280 1.00 28.46 ? 305 GLU B C 1 ATOM 7421 O O . GLU B 1 305 ? -18.326 20.973 36.967 1.00 29.44 ? 305 GLU B O 1 ATOM 7422 C CB . GLU B 1 305 ? -20.414 22.859 36.753 1.00 30.85 ? 305 GLU B CB 1 ATOM 7423 C CG . GLU B 1 305 ? -21.107 24.032 37.434 1.00 33.35 ? 305 GLU B CG 1 ATOM 7424 C CD . GLU B 1 305 ? -22.620 23.869 37.500 1.00 36.24 ? 305 GLU B CD 1 ATOM 7425 O OE1 . GLU B 1 305 ? -23.151 22.868 36.962 1.00 36.78 ? 305 GLU B OE1 1 ATOM 7426 O OE2 . GLU B 1 305 ? -23.280 24.758 38.081 1.00 37.41 ? 305 GLU B OE2 1 ATOM 7427 N N . LEU B 1 306 ? -17.013 22.027 35.486 1.00 27.41 ? 306 LEU B N 1 ATOM 7428 C CA . LEU B 1 306 ? -15.947 21.042 35.560 1.00 26.37 ? 306 LEU B CA 1 ATOM 7429 C C . LEU B 1 306 ? -14.913 21.548 36.568 1.00 25.61 ? 306 LEU B C 1 ATOM 7430 O O . LEU B 1 306 ? -15.076 22.640 37.112 1.00 25.17 ? 306 LEU B O 1 ATOM 7431 C CB . LEU B 1 306 ? -15.368 20.764 34.170 1.00 25.85 ? 306 LEU B CB 1 ATOM 7432 C CG . LEU B 1 306 ? -16.363 20.019 33.258 1.00 26.41 ? 306 LEU B CG 1 ATOM 7433 C CD1 . LEU B 1 306 ? -15.923 20.016 31.798 1.00 26.20 ? 306 LEU B CD1 1 ATOM 7434 C CD2 . LEU B 1 306 ? -16.571 18.595 33.756 1.00 26.34 ? 306 LEU B CD2 1 ATOM 7435 N N . SER B 1 307 ? -13.884 20.755 36.847 1.00 25.14 ? 307 SER B N 1 ATOM 7436 C CA . SER B 1 307 ? -12.961 21.080 37.932 1.00 25.70 ? 307 SER B CA 1 ATOM 7437 C C . SER B 1 307 ? -11.930 22.126 37.534 1.00 24.59 ? 307 SER B C 1 ATOM 7438 O O . SER B 1 307 ? -11.484 22.152 36.378 1.00 24.59 ? 307 SER B O 1 ATOM 7439 C CB . SER B 1 307 ? -12.249 19.830 38.445 1.00 26.86 ? 307 SER B CB 1 ATOM 7440 O OG . SER B 1 307 ? -13.200 18.832 38.773 1.00 31.76 ? 307 SER B OG 1 ATOM 7441 N N . PRO B 1 308 ? -11.572 23.009 38.486 1.00 23.59 ? 308 PRO B N 1 ATOM 7442 C CA . PRO B 1 308 ? -10.436 23.915 38.301 1.00 23.06 ? 308 PRO B CA 1 ATOM 7443 C C . PRO B 1 308 ? -9.130 23.124 38.376 1.00 22.58 ? 308 PRO B C 1 ATOM 7444 O O . PRO B 1 308 ? -9.131 21.982 38.856 1.00 22.52 ? 308 PRO B O 1 ATOM 7445 C CB . PRO B 1 308 ? -10.558 24.875 39.494 1.00 22.79 ? 308 PRO B CB 1 ATOM 7446 C CG . PRO B 1 308 ? -11.256 24.072 40.553 1.00 23.58 ? 308 PRO B CG 1 ATOM 7447 C CD . PRO B 1 308 ? -12.238 23.211 39.790 1.00 23.86 ? 308 PRO B CD 1 ATOM 7448 N N . MET B 1 309 ? -8.026 23.702 37.911 1.00 21.81 ? 309 MET B N 1 ATOM 7449 C CA . MET B 1 309 ? -6.723 23.061 38.107 1.00 21.71 ? 309 MET B CA 1 ATOM 7450 C C . MET B 1 309 ? -6.324 23.176 39.585 1.00 21.96 ? 309 MET B C 1 ATOM 7451 O O . MET B 1 309 ? -6.342 24.279 40.131 1.00 21.57 ? 309 MET B O 1 ATOM 7452 C CB . MET B 1 309 ? -5.647 23.715 37.239 1.00 21.69 ? 309 MET B CB 1 ATOM 7453 C CG . MET B 1 309 ? -5.887 23.720 35.734 1.00 22.31 ? 309 MET B CG 1 ATOM 7454 S SD . MET B 1 309 ? -6.008 22.074 34.982 1.00 22.49 ? 309 MET B SD 1 ATOM 7455 C CE . MET B 1 309 ? -7.786 21.840 34.966 1.00 23.03 ? 309 MET B CE 1 ATOM 7456 N N . PRO B 1 310 ? -5.936 22.044 40.229 1.00 22.43 ? 310 PRO B N 1 ATOM 7457 C CA . PRO B 1 310 ? -5.540 22.031 41.652 1.00 22.56 ? 310 PRO B CA 1 ATOM 7458 C C . PRO B 1 310 ? -4.223 22.774 41.898 1.00 22.11 ? 310 PRO B C 1 ATOM 7459 O O . PRO B 1 310 ? -3.483 23.012 40.947 1.00 23.01 ? 310 PRO B O 1 ATOM 7460 C CB . PRO B 1 310 ? -5.339 20.542 41.941 1.00 22.75 ? 310 PRO B CB 1 ATOM 7461 C CG . PRO B 1 310 ? -4.938 19.964 40.628 1.00 22.36 ? 310 PRO B CG 1 ATOM 7462 C CD . PRO B 1 310 ? -5.767 20.714 39.613 1.00 22.47 ? 310 PRO B CD 1 ATOM 7463 N N . PRO B 1 311 ? -3.928 23.135 43.163 1.00 22.21 ? 311 PRO B N 1 ATOM 7464 C CA . PRO B 1 311 ? -2.678 23.827 43.496 1.00 21.80 ? 311 PRO B CA 1 ATOM 7465 C C . PRO B 1 311 ? -1.420 23.104 43.000 1.00 22.31 ? 311 PRO B C 1 ATOM 7466 O O . PRO B 1 311 ? -0.473 23.754 42.546 1.00 22.18 ? 311 PRO B O 1 ATOM 7467 C CB . PRO B 1 311 ? -2.702 23.849 45.024 1.00 21.64 ? 311 PRO B CB 1 ATOM 7468 C CG . PRO B 1 311 ? -4.154 23.971 45.334 1.00 22.17 ? 311 PRO B CG 1 ATOM 7469 C CD . PRO B 1 311 ? -4.823 23.052 44.336 1.00 21.64 ? 311 PRO B CD 1 ATOM 7470 N N . GLU B 1 312 ? -1.427 21.778 43.094 1.00 22.19 ? 312 GLU B N 1 ATOM 7471 C CA . GLU B 1 312 ? -0.330 20.934 42.622 1.00 23.11 ? 312 GLU B CA 1 ATOM 7472 C C . GLU B 1 312 ? -0.003 21.176 41.139 1.00 22.00 ? 312 GLU B C 1 ATOM 7473 O O . GLU B 1 312 ? 1.171 21.124 40.745 1.00 21.17 ? 312 GLU B O 1 ATOM 7474 C CB . GLU B 1 312 ? -0.672 19.458 42.849 1.00 24.50 ? 312 GLU B CB 1 ATOM 7475 C CG . GLU B 1 312 ? -0.636 19.016 44.313 1.00 26.98 ? 312 GLU B CG 1 ATOM 7476 C CD . GLU B 1 312 ? -1.910 19.312 45.098 1.00 28.57 ? 312 GLU B CD 1 ATOM 7477 O OE1 . GLU B 1 312 ? -2.858 19.943 44.570 1.00 28.33 ? 312 GLU B OE1 1 ATOM 7478 O OE2 . GLU B 1 312 ? -1.976 18.886 46.270 1.00 31.61 ? 312 GLU B OE2 1 ATOM 7479 N N . PHE B 1 313 ? -1.039 21.455 40.345 1.00 20.15 ? 313 PHE B N 1 ATOM 7480 C CA . PHE B 1 313 ? -0.887 21.773 38.916 1.00 19.91 ? 313 PHE B CA 1 ATOM 7481 C C . PHE B 1 313 ? -0.106 23.067 38.698 1.00 20.21 ? 313 PHE B C 1 ATOM 7482 O O . PHE B 1 313 ? 0.817 23.109 37.887 1.00 19.75 ? 313 PHE B O 1 ATOM 7483 C CB . PHE B 1 313 ? -2.252 21.861 38.197 1.00 19.03 ? 313 PHE B CB 1 ATOM 7484 C CG . PHE B 1 313 ? -2.158 22.376 36.782 1.00 19.07 ? 313 PHE B CG 1 ATOM 7485 C CD1 . PHE B 1 313 ? -2.239 23.738 36.513 1.00 18.99 ? 313 PHE B CD1 1 ATOM 7486 C CD2 . PHE B 1 313 ? -1.977 21.497 35.719 1.00 18.83 ? 313 PHE B CD2 1 ATOM 7487 C CE1 . PHE B 1 313 ? -2.132 24.215 35.215 1.00 18.91 ? 313 PHE B CE1 1 ATOM 7488 C CE2 . PHE B 1 313 ? -1.875 21.966 34.416 1.00 19.01 ? 313 PHE B CE2 1 ATOM 7489 C CZ . PHE B 1 313 ? -1.937 23.327 34.162 1.00 18.91 ? 313 PHE B CZ 1 ATOM 7490 N N . TRP B 1 314 ? -0.497 24.126 39.401 1.00 20.58 ? 314 TRP B N 1 ATOM 7491 C CA . TRP B 1 314 ? 0.164 25.421 39.249 1.00 20.98 ? 314 TRP B CA 1 ATOM 7492 C C . TRP B 1 314 ? 1.573 25.381 39.812 1.00 21.87 ? 314 TRP B C 1 ATOM 7493 O O . TRP B 1 314 ? 2.487 26.008 39.265 1.00 21.58 ? 314 TRP B O 1 ATOM 7494 C CB . TRP B 1 314 ? -0.675 26.538 39.882 1.00 21.27 ? 314 TRP B CB 1 ATOM 7495 C CG . TRP B 1 314 ? -2.047 26.641 39.232 1.00 21.06 ? 314 TRP B CG 1 ATOM 7496 C CD1 . TRP B 1 314 ? -3.232 26.258 39.770 1.00 21.36 ? 314 TRP B CD1 1 ATOM 7497 C CD2 . TRP B 1 314 ? -2.345 27.133 37.907 1.00 21.41 ? 314 TRP B CD2 1 ATOM 7498 N NE1 . TRP B 1 314 ? -4.256 26.482 38.879 1.00 21.69 ? 314 TRP B NE1 1 ATOM 7499 C CE2 . TRP B 1 314 ? -3.738 27.008 37.722 1.00 21.30 ? 314 TRP B CE2 1 ATOM 7500 C CE3 . TRP B 1 314 ? -1.564 27.658 36.862 1.00 21.02 ? 314 TRP B CE3 1 ATOM 7501 C CZ2 . TRP B 1 314 ? -4.381 27.399 36.539 1.00 21.11 ? 314 TRP B CZ2 1 ATOM 7502 C CZ3 . TRP B 1 314 ? -2.203 28.051 35.681 1.00 21.50 ? 314 TRP B CZ3 1 ATOM 7503 C CH2 . TRP B 1 314 ? -3.600 27.921 35.533 1.00 21.51 ? 314 TRP B CH2 1 ATOM 7504 N N . GLU B 1 315 ? 1.746 24.645 40.907 1.00 22.84 ? 315 GLU B N 1 ATOM 7505 C CA . GLU B 1 315 ? 3.054 24.530 41.536 1.00 24.95 ? 315 GLU B CA 1 ATOM 7506 C C . GLU B 1 315 ? 4.012 23.699 40.678 1.00 24.14 ? 315 GLU B C 1 ATOM 7507 O O . GLU B 1 315 ? 5.176 24.046 40.543 1.00 24.27 ? 315 GLU B O 1 ATOM 7508 C CB . GLU B 1 315 ? 2.939 23.934 42.955 1.00 26.75 ? 315 GLU B CB 1 ATOM 7509 C CG . GLU B 1 315 ? 2.335 24.891 43.991 1.00 29.71 ? 315 GLU B CG 1 ATOM 7510 C CD . GLU B 1 315 ? 3.017 26.256 44.007 1.00 32.92 ? 315 GLU B CD 1 ATOM 7511 O OE1 . GLU B 1 315 ? 4.221 26.328 44.348 1.00 36.98 ? 315 GLU B OE1 1 ATOM 7512 O OE2 . GLU B 1 315 ? 2.353 27.269 43.674 1.00 34.56 ? 315 GLU B OE2 1 ATOM 7513 N N . GLY B 1 316 ? 3.511 22.616 40.089 1.00 22.89 ? 316 GLY B N 1 ATOM 7514 C CA . GLY B 1 316 ? 4.379 21.633 39.437 1.00 22.55 ? 316 GLY B CA 1 ATOM 7515 C C . GLY B 1 316 ? 4.613 21.816 37.942 1.00 22.38 ? 316 GLY B C 1 ATOM 7516 O O . GLY B 1 316 ? 5.634 21.361 37.410 1.00 21.74 ? 316 GLY B O 1 ATOM 7517 N N . SER B 1 317 ? 3.660 22.453 37.260 1.00 21.94 ? 317 SER B N 1 ATOM 7518 C CA . SER B 1 317 ? 3.676 22.522 35.798 1.00 21.37 ? 317 SER B CA 1 ATOM 7519 C C . SER B 1 317 ? 4.837 23.359 35.255 1.00 22.00 ? 317 SER B C 1 ATOM 7520 O O . SER B 1 317 ? 5.316 24.268 35.921 1.00 21.67 ? 317 SER B O 1 ATOM 7521 C CB . SER B 1 317 ? 2.336 23.043 35.268 1.00 20.69 ? 317 SER B CB 1 ATOM 7522 O OG . SER B 1 317 ? 1.326 22.055 35.436 1.00 20.91 ? 317 SER B OG 1 ATOM 7523 N N . MET B 1 318 ? 5.300 23.023 34.054 1.00 21.79 ? 318 MET B N 1 ATOM 7524 C CA . MET B 1 318 ? 6.240 23.874 33.323 1.00 22.31 ? 318 MET B CA 1 ATOM 7525 C C . MET B 1 318 ? 5.473 24.511 32.172 1.00 21.92 ? 318 MET B C 1 ATOM 7526 O O . MET B 1 318 ? 5.153 23.845 31.172 1.00 21.83 ? 318 MET B O 1 ATOM 7527 C CB . MET B 1 318 ? 7.424 23.051 32.799 1.00 23.00 ? 318 MET B CB 1 ATOM 7528 C CG . MET B 1 318 ? 8.582 23.870 32.225 1.00 23.89 ? 318 MET B CG 1 ATOM 7529 S SD . MET B 1 318 ? 9.651 22.835 31.190 1.00 25.74 ? 318 MET B SD 1 ATOM 7530 C CE . MET B 1 318 ? 8.853 22.941 29.595 1.00 23.19 ? 318 MET B CE 1 ATOM 7531 N N . LEU B 1 319 ? 5.180 25.797 32.312 1.00 21.74 ? 319 LEU B N 1 ATOM 7532 C CA . LEU B 1 319 ? 4.316 26.497 31.365 1.00 23.38 ? 319 LEU B CA 1 ATOM 7533 C C . LEU B 1 319 ? 5.052 27.369 30.348 1.00 23.57 ? 319 LEU B C 1 ATOM 7534 O O . LEU B 1 319 ? 4.437 27.920 29.444 1.00 23.44 ? 319 LEU B O 1 ATOM 7535 C CB . LEU B 1 319 ? 3.259 27.311 32.121 1.00 23.57 ? 319 LEU B CB 1 ATOM 7536 C CG . LEU B 1 319 ? 2.402 26.485 33.088 1.00 24.32 ? 319 LEU B CG 1 ATOM 7537 C CD1 . LEU B 1 319 ? 1.400 27.379 33.799 1.00 25.44 ? 319 LEU B CD1 1 ATOM 7538 C CD2 . LEU B 1 319 ? 1.715 25.356 32.332 1.00 24.09 ? 319 LEU B CD2 1 ATOM 7539 N N . GLU B 1 320 ? 6.362 27.489 30.502 1.00 25.07 ? 320 GLU B N 1 ATOM 7540 C CA . GLU B 1 320 ? 7.191 28.240 29.561 1.00 26.69 ? 320 GLU B CA 1 ATOM 7541 C C . GLU B 1 320 ? 8.486 27.481 29.337 1.00 25.82 ? 320 GLU B C 1 ATOM 7542 O O . GLU B 1 320 ? 8.906 26.726 30.207 1.00 25.15 ? 320 GLU B O 1 ATOM 7543 C CB . GLU B 1 320 ? 7.525 29.622 30.132 1.00 29.36 ? 320 GLU B CB 1 ATOM 7544 C CG . GLU B 1 320 ? 6.454 30.674 29.917 1.00 32.42 ? 320 GLU B CG 1 ATOM 7545 C CD . GLU B 1 320 ? 6.747 31.970 30.661 1.00 35.30 ? 320 GLU B CD 1 ATOM 7546 O OE1 . GLU B 1 320 ? 7.888 32.148 31.152 1.00 38.15 ? 320 GLU B OE1 1 ATOM 7547 O OE2 . GLU B 1 320 ? 5.834 32.818 30.757 1.00 36.05 ? 320 GLU B OE2 1 ATOM 7548 N N . LYS B 1 321 ? 9.125 27.679 28.186 1.00 25.77 ? 321 LYS B N 1 ATOM 7549 C CA . LYS B 1 321 ? 10.457 27.114 27.974 1.00 26.10 ? 321 LYS B CA 1 ATOM 7550 C C . LYS B 1 321 ? 11.450 27.769 28.957 1.00 27.01 ? 321 LYS B C 1 ATOM 7551 O O . LYS B 1 321 ? 11.515 28.995 29.031 1.00 26.03 ? 321 LYS B O 1 ATOM 7552 C CB . LYS B 1 321 ? 10.921 27.331 26.535 1.00 25.78 ? 321 LYS B CB 1 ATOM 7553 C CG . LYS B 1 321 ? 12.218 26.604 26.206 1.00 26.27 ? 321 LYS B CG 1 ATOM 7554 C CD . LYS B 1 321 ? 12.611 26.812 24.749 1.00 27.22 ? 321 LYS B CD 1 ATOM 7555 C CE . LYS B 1 321 ? 13.676 25.811 24.318 1.00 27.16 ? 321 LYS B CE 1 ATOM 7556 N NZ . LYS B 1 321 ? 14.012 26.016 22.879 1.00 28.46 ? 321 LYS B NZ 1 ATOM 7557 N N . PRO B 1 322 ? 12.212 26.955 29.714 1.00 28.44 ? 322 PRO B N 1 ATOM 7558 C CA . PRO B 1 322 ? 13.140 27.518 30.715 1.00 32.17 ? 322 PRO B CA 1 ATOM 7559 C C . PRO B 1 322 ? 14.201 28.413 30.092 1.00 35.13 ? 322 PRO B C 1 ATOM 7560 O O . PRO B 1 322 ? 14.687 28.124 28.996 1.00 35.87 ? 322 PRO B O 1 ATOM 7561 C CB . PRO B 1 322 ? 13.792 26.278 31.330 1.00 31.66 ? 322 PRO B CB 1 ATOM 7562 C CG . PRO B 1 322 ? 12.820 25.166 31.065 1.00 29.35 ? 322 PRO B CG 1 ATOM 7563 C CD . PRO B 1 322 ? 12.263 25.482 29.706 1.00 28.26 ? 322 PRO B CD 1 ATOM 7564 N N . ALA B 1 323 ? 14.534 29.492 30.794 1.00 39.17 ? 323 ALA B N 1 ATOM 7565 C CA . ALA B 1 323 ? 15.475 30.497 30.304 1.00 45.37 ? 323 ALA B CA 1 ATOM 7566 C C . ALA B 1 323 ? 16.937 30.158 30.620 1.00 47.68 ? 323 ALA B C 1 ATOM 7567 O O . ALA B 1 323 ? 17.843 30.692 29.981 1.00 50.92 ? 323 ALA B O 1 ATOM 7568 C CB . ALA B 1 323 ? 15.110 31.877 30.839 1.00 44.41 ? 323 ALA B CB 1 ATOM 7569 N N . ASP B 1 324 ? 17.164 29.273 31.591 1.00 49.75 ? 324 ASP B N 1 ATOM 7570 C CA . ASP B 1 324 ? 18.514 28.761 31.863 1.00 51.25 ? 324 ASP B CA 1 ATOM 7571 C C . ASP B 1 324 ? 19.028 27.900 30.701 1.00 52.35 ? 324 ASP B C 1 ATOM 7572 O O . ASP B 1 324 ? 18.387 27.819 29.645 1.00 54.63 ? 324 ASP B O 1 ATOM 7573 C CB . ASP B 1 324 ? 18.567 27.994 33.198 1.00 50.45 ? 324 ASP B CB 1 ATOM 7574 C CG . ASP B 1 324 ? 17.588 26.826 33.262 1.00 51.50 ? 324 ASP B CG 1 ATOM 7575 O OD1 . ASP B 1 324 ? 17.064 26.406 32.211 1.00 50.09 ? 324 ASP B OD1 1 ATOM 7576 O OD2 . ASP B 1 324 ? 17.342 26.319 34.376 1.00 51.28 ? 324 ASP B OD2 1 ATOM 7577 N N . GLY B 1 325 ? 20.173 27.253 30.892 1.00 52.87 ? 325 GLY B N 1 ATOM 7578 C CA . GLY B 1 325 ? 20.725 26.362 29.865 1.00 54.41 ? 325 GLY B CA 1 ATOM 7579 C C . GLY B 1 325 ? 19.906 25.105 29.572 1.00 53.59 ? 325 GLY B C 1 ATOM 7580 O O . GLY B 1 325 ? 20.138 24.440 28.560 1.00 55.45 ? 325 GLY B O 1 ATOM 7581 N N . ARG B 1 326 ? 18.938 24.805 30.443 1.00 49.68 ? 326 ARG B N 1 ATOM 7582 C CA . ARG B 1 326 ? 18.218 23.520 30.478 1.00 47.16 ? 326 ARG B CA 1 ATOM 7583 C C . ARG B 1 326 ? 17.637 23.031 29.147 1.00 45.23 ? 326 ARG B C 1 ATOM 7584 O O . ARG B 1 326 ? 16.809 23.697 28.525 1.00 47.37 ? 326 ARG B O 1 ATOM 7585 C CB . ARG B 1 326 ? 17.093 23.589 31.509 1.00 46.38 ? 326 ARG B CB 1 ATOM 7586 C CG . ARG B 1 326 ? 17.044 22.424 32.471 1.00 45.88 ? 326 ARG B CG 1 ATOM 7587 C CD . ARG B 1 326 ? 15.719 22.383 33.208 1.00 45.71 ? 326 ARG B CD 1 ATOM 7588 N NE . ARG B 1 326 ? 15.340 23.655 33.819 1.00 47.11 ? 326 ARG B NE 1 ATOM 7589 C CZ . ARG B 1 326 ? 14.154 23.895 34.373 1.00 47.48 ? 326 ARG B CZ 1 ATOM 7590 N NH1 . ARG B 1 326 ? 13.215 22.955 34.390 1.00 45.12 ? 326 ARG B NH1 1 ATOM 7591 N NH2 . ARG B 1 326 ? 13.900 25.081 34.908 1.00 48.51 ? 326 ARG B NH2 1 ATOM 7592 N N . GLU B 1 327 ? 18.077 21.854 28.726 1.00 41.99 ? 327 GLU B N 1 ATOM 7593 C CA . GLU B 1 327 ? 17.505 21.178 27.576 1.00 39.33 ? 327 GLU B CA 1 ATOM 7594 C C . GLU B 1 327 ? 16.191 20.499 28.011 1.00 35.63 ? 327 GLU B C 1 ATOM 7595 O O . GLU B 1 327 ? 16.150 19.831 29.053 1.00 34.79 ? 327 GLU B O 1 ATOM 7596 C CB . GLU B 1 327 ? 18.502 20.148 27.060 1.00 41.67 ? 327 GLU B CB 1 ATOM 7597 C CG . GLU B 1 327 ? 18.397 19.875 25.574 1.00 46.20 ? 327 GLU B CG 1 ATOM 7598 C CD . GLU B 1 327 ? 19.320 20.745 24.743 1.00 47.19 ? 327 GLU B CD 1 ATOM 7599 O OE1 . GLU B 1 327 ? 20.547 20.686 24.964 1.00 49.81 ? 327 GLU B OE1 1 ATOM 7600 O OE2 . GLU B 1 327 ? 18.818 21.465 23.857 1.00 46.37 ? 327 GLU B OE2 1 ATOM 7601 N N . VAL B 1 328 ? 15.119 20.705 27.241 1.00 31.04 ? 328 VAL B N 1 ATOM 7602 C CA . VAL B 1 328 ? 13.796 20.132 27.570 1.00 27.83 ? 328 VAL B CA 1 ATOM 7603 C C . VAL B 1 328 ? 13.108 19.503 26.354 1.00 25.42 ? 328 VAL B C 1 ATOM 7604 O O . VAL B 1 328 ? 13.432 19.808 25.206 1.00 23.73 ? 328 VAL B O 1 ATOM 7605 C CB . VAL B 1 328 ? 12.829 21.175 28.190 1.00 27.86 ? 328 VAL B CB 1 ATOM 7606 C CG1 . VAL B 1 328 ? 13.382 21.733 29.498 1.00 29.08 ? 328 VAL B CG1 1 ATOM 7607 C CG2 . VAL B 1 328 ? 12.519 22.300 27.206 1.00 28.06 ? 328 VAL B CG2 1 ATOM 7608 N N . VAL B 1 329 ? 12.158 18.609 26.612 1.00 23.56 ? 329 VAL B N 1 ATOM 7609 C CA . VAL B 1 329 ? 11.247 18.185 25.556 1.00 22.03 ? 329 VAL B CA 1 ATOM 7610 C C . VAL B 1 329 ? 10.218 19.291 25.459 1.00 21.84 ? 329 VAL B C 1 ATOM 7611 O O . VAL B 1 329 ? 9.426 19.487 26.388 1.00 22.07 ? 329 VAL B O 1 ATOM 7612 C CB . VAL B 1 329 ? 10.552 16.855 25.885 1.00 21.31 ? 329 VAL B CB 1 ATOM 7613 C CG1 . VAL B 1 329 ? 9.519 16.529 24.808 1.00 20.24 ? 329 VAL B CG1 1 ATOM 7614 C CG2 . VAL B 1 329 ? 11.583 15.736 26.019 1.00 21.50 ? 329 VAL B CG2 1 ATOM 7615 N N . CYS B 1 330 ? 10.234 20.041 24.364 1.00 21.94 ? 330 CYS B N 1 ATOM 7616 C CA . CYS B 1 330 ? 9.284 21.141 24.245 1.00 22.58 ? 330 CYS B CA 1 ATOM 7617 C C . CYS B 1 330 ? 7.904 20.669 23.820 1.00 21.39 ? 330 CYS B C 1 ATOM 7618 O O . CYS B 1 330 ? 6.906 21.288 24.172 1.00 21.21 ? 330 CYS B O 1 ATOM 7619 C CB . CYS B 1 330 ? 9.792 22.267 23.348 1.00 24.12 ? 330 CYS B CB 1 ATOM 7620 S SG . CYS B 1 330 ? 10.596 23.620 24.266 1.00 28.46 ? 330 CYS B SG 1 ATOM 7621 N N . HIS B 1 331 ? 7.843 19.563 23.090 1.00 19.91 ? 331 HIS B N 1 ATOM 7622 C CA . HIS B 1 331 ? 6.554 19.073 22.630 1.00 18.85 ? 331 HIS B CA 1 ATOM 7623 C C . HIS B 1 331 ? 5.609 18.940 23.816 1.00 18.44 ? 331 HIS B C 1 ATOM 7624 O O . HIS B 1 331 ? 5.942 18.266 24.811 1.00 18.73 ? 331 HIS B O 1 ATOM 7625 C CB . HIS B 1 331 ? 6.700 17.744 21.926 1.00 18.60 ? 331 HIS B CB 1 ATOM 7626 C CG . HIS B 1 331 ? 5.511 17.395 21.110 1.00 18.61 ? 331 HIS B CG 1 ATOM 7627 N ND1 . HIS B 1 331 ? 5.456 17.619 19.751 1.00 18.57 ? 331 HIS B ND1 1 ATOM 7628 C CD2 . HIS B 1 331 ? 4.298 16.916 21.470 1.00 18.38 ? 331 HIS B CD2 1 ATOM 7629 C CE1 . HIS B 1 331 ? 4.267 17.257 19.304 1.00 18.52 ? 331 HIS B CE1 1 ATOM 7630 N NE2 . HIS B 1 331 ? 3.541 16.839 20.330 1.00 18.41 ? 331 HIS B NE2 1 ATOM 7631 N N . ALA B 1 332 ? 4.444 19.580 23.710 1.00 18.05 ? 332 ALA B N 1 ATOM 7632 C CA . ALA B 1 332 ? 3.499 19.723 24.844 1.00 17.36 ? 332 ALA B CA 1 ATOM 7633 C C . ALA B 1 332 ? 2.964 18.362 25.289 1.00 17.33 ? 332 ALA B C 1 ATOM 7634 O O . ALA B 1 332 ? 2.806 17.466 24.471 1.00 16.64 ? 332 ALA B O 1 ATOM 7635 C CB . ALA B 1 332 ? 2.346 20.633 24.450 1.00 17.44 ? 332 ALA B CB 1 ATOM 7636 N N . SER B 1 333 ? 2.709 18.208 26.585 1.00 17.11 ? 333 SER B N 1 ATOM 7637 C CA . SER B 1 333 ? 2.160 16.957 27.122 1.00 16.87 ? 333 SER B CA 1 ATOM 7638 C C . SER B 1 333 ? 1.425 17.210 28.425 1.00 16.78 ? 333 SER B C 1 ATOM 7639 O O . SER B 1 333 ? 1.685 18.203 29.112 1.00 16.18 ? 333 SER B O 1 ATOM 7640 C CB . SER B 1 333 ? 3.241 15.873 27.302 1.00 16.78 ? 333 SER B CB 1 ATOM 7641 O OG . SER B 1 333 ? 4.425 16.383 27.901 1.00 17.60 ? 333 SER B OG 1 ATOM 7642 N N . ALA B 1 334 ? 0.473 16.328 28.731 1.00 17.02 ? 334 ALA B N 1 ATOM 7643 C CA . ALA B 1 334 ? -0.303 16.414 29.966 1.00 17.44 ? 334 ALA B CA 1 ATOM 7644 C C . ALA B 1 334 ? -0.072 15.152 30.786 1.00 18.31 ? 334 ALA B C 1 ATOM 7645 O O . ALA B 1 334 ? -0.253 14.020 30.287 1.00 17.93 ? 334 ALA B O 1 ATOM 7646 C CB . ALA B 1 334 ? -1.787 16.589 29.666 1.00 18.19 ? 334 ALA B CB 1 ATOM 7647 N N . TRP B 1 335 ? 0.286 15.361 32.053 1.00 18.19 ? 335 TRP B N 1 ATOM 7648 C CA . TRP B 1 335 ? 0.804 14.300 32.912 1.00 19.38 ? 335 TRP B CA 1 ATOM 7649 C C . TRP B 1 335 ? -0.112 13.934 34.089 1.00 20.15 ? 335 TRP B C 1 ATOM 7650 O O . TRP B 1 335 ? -0.576 14.815 34.836 1.00 19.22 ? 335 TRP B O 1 ATOM 7651 C CB . TRP B 1 335 ? 2.167 14.706 33.463 1.00 19.24 ? 335 TRP B CB 1 ATOM 7652 C CG . TRP B 1 335 ? 3.187 15.004 32.411 1.00 19.91 ? 335 TRP B CG 1 ATOM 7653 C CD1 . TRP B 1 335 ? 3.122 15.981 31.439 1.00 19.77 ? 335 TRP B CD1 1 ATOM 7654 C CD2 . TRP B 1 335 ? 4.435 14.340 32.224 1.00 20.38 ? 335 TRP B CD2 1 ATOM 7655 N NE1 . TRP B 1 335 ? 4.256 15.950 30.666 1.00 19.88 ? 335 TRP B NE1 1 ATOM 7656 C CE2 . TRP B 1 335 ? 5.080 14.959 31.126 1.00 20.29 ? 335 TRP B CE2 1 ATOM 7657 C CE3 . TRP B 1 335 ? 5.090 13.297 32.897 1.00 21.06 ? 335 TRP B CE3 1 ATOM 7658 C CZ2 . TRP B 1 335 ? 6.341 14.563 30.681 1.00 20.75 ? 335 TRP B CZ2 1 ATOM 7659 C CZ3 . TRP B 1 335 ? 6.336 12.896 32.451 1.00 21.59 ? 335 TRP B CZ3 1 ATOM 7660 C CH2 . TRP B 1 335 ? 6.953 13.530 31.350 1.00 21.57 ? 335 TRP B CH2 1 ATOM 7661 N N . ASP B 1 336 ? -0.354 12.630 34.235 1.00 20.39 ? 336 ASP B N 1 ATOM 7662 C CA . ASP B 1 336 ? -1.033 12.059 35.402 1.00 21.74 ? 336 ASP B CA 1 ATOM 7663 C C . ASP B 1 336 ? -0.016 11.234 36.182 1.00 22.64 ? 336 ASP B C 1 ATOM 7664 O O . ASP B 1 336 ? 0.547 10.272 35.650 1.00 22.18 ? 336 ASP B O 1 ATOM 7665 C CB . ASP B 1 336 ? -2.179 11.151 34.941 1.00 22.23 ? 336 ASP B CB 1 ATOM 7666 C CG . ASP B 1 336 ? -3.063 10.683 36.086 1.00 23.57 ? 336 ASP B CG 1 ATOM 7667 O OD1 . ASP B 1 336 ? -2.640 10.737 37.259 1.00 24.73 ? 336 ASP B OD1 1 ATOM 7668 O OD2 . ASP B 1 336 ? -4.202 10.267 35.802 1.00 25.03 ? 336 ASP B OD2 1 ATOM 7669 N N . PHE B 1 337 ? 0.223 11.595 37.442 1.00 24.07 ? 337 PHE B N 1 ATOM 7670 C CA . PHE B 1 337 ? 1.208 10.871 38.254 1.00 25.97 ? 337 PHE B CA 1 ATOM 7671 C C . PHE B 1 337 ? 0.617 9.648 38.969 1.00 27.75 ? 337 PHE B C 1 ATOM 7672 O O . PHE B 1 337 ? 1.300 8.977 39.729 1.00 28.80 ? 337 PHE B O 1 ATOM 7673 C CB . PHE B 1 337 ? 1.905 11.821 39.232 1.00 25.78 ? 337 PHE B CB 1 ATOM 7674 C CG . PHE B 1 337 ? 2.886 12.751 38.576 1.00 24.74 ? 337 PHE B CG 1 ATOM 7675 C CD1 . PHE B 1 337 ? 2.446 13.792 37.752 1.00 24.26 ? 337 PHE B CD1 1 ATOM 7676 C CD2 . PHE B 1 337 ? 4.253 12.602 38.789 1.00 24.86 ? 337 PHE B CD2 1 ATOM 7677 C CE1 . PHE B 1 337 ? 3.353 14.655 37.148 1.00 23.78 ? 337 PHE B CE1 1 ATOM 7678 C CE2 . PHE B 1 337 ? 5.166 13.463 38.185 1.00 24.33 ? 337 PHE B CE2 1 ATOM 7679 C CZ . PHE B 1 337 ? 4.712 14.492 37.364 1.00 24.12 ? 337 PHE B CZ 1 ATOM 7680 N N . TYR B 1 338 ? -0.653 9.353 38.703 1.00 30.51 ? 338 TYR B N 1 ATOM 7681 C CA . TYR B 1 338 ? -1.326 8.172 39.274 1.00 32.54 ? 338 TYR B CA 1 ATOM 7682 C C . TYR B 1 338 ? -1.309 8.109 40.820 1.00 33.78 ? 338 TYR B C 1 ATOM 7683 O O . TYR B 1 338 ? -1.394 7.023 41.409 1.00 35.04 ? 338 TYR B O 1 ATOM 7684 C CB . TYR B 1 338 ? -0.797 6.870 38.635 1.00 33.59 ? 338 TYR B CB 1 ATOM 7685 C CG . TYR B 1 338 ? -1.011 6.816 37.137 1.00 35.29 ? 338 TYR B CG 1 ATOM 7686 C CD1 . TYR B 1 338 ? -2.244 6.448 36.605 1.00 36.58 ? 338 TYR B CD1 1 ATOM 7687 C CD2 . TYR B 1 338 ? 0.011 7.155 36.255 1.00 36.35 ? 338 TYR B CD2 1 ATOM 7688 C CE1 . TYR B 1 338 ? -2.455 6.413 35.234 1.00 38.73 ? 338 TYR B CE1 1 ATOM 7689 C CE2 . TYR B 1 338 ? -0.187 7.121 34.883 1.00 37.28 ? 338 TYR B CE2 1 ATOM 7690 C CZ . TYR B 1 338 ? -1.423 6.751 34.383 1.00 38.14 ? 338 TYR B CZ 1 ATOM 7691 O OH . TYR B 1 338 ? -1.630 6.720 33.033 1.00 40.74 ? 338 TYR B OH 1 ATOM 7692 N N . ASN B 1 339 ? -1.210 9.276 41.463 1.00 33.98 ? 339 ASN B N 1 ATOM 7693 C CA . ASN B 1 339 ? -1.343 9.391 42.926 1.00 33.76 ? 339 ASN B CA 1 ATOM 7694 C C . ASN B 1 339 ? -2.609 10.160 43.359 1.00 34.86 ? 339 ASN B C 1 ATOM 7695 O O . ASN B 1 339 ? -2.801 10.446 44.549 1.00 32.70 ? 339 ASN B O 1 ATOM 7696 C CB . ASN B 1 339 ? -0.070 9.984 43.555 1.00 33.47 ? 339 ASN B CB 1 ATOM 7697 C CG . ASN B 1 339 ? 0.140 11.450 43.210 1.00 33.49 ? 339 ASN B CG 1 ATOM 7698 O OD1 . ASN B 1 339 ? -0.657 12.059 42.499 1.00 34.07 ? 339 ASN B OD1 1 ATOM 7699 N ND2 . ASN B 1 339 ? 1.222 12.025 43.720 1.00 32.13 ? 339 ASN B ND2 1 ATOM 7700 N N . ARG B 1 340 ? -3.457 10.482 42.376 1.00 34.64 ? 340 ARG B N 1 ATOM 7701 C CA . ARG B 1 340 ? -4.715 11.229 42.564 1.00 36.53 ? 340 ARG B CA 1 ATOM 7702 C C . ARG B 1 340 ? -4.528 12.670 43.070 1.00 34.96 ? 340 ARG B C 1 ATOM 7703 O O . ARG B 1 340 ? -5.502 13.316 43.463 1.00 34.94 ? 340 ARG B O 1 ATOM 7704 C CB . ARG B 1 340 ? -5.700 10.472 43.484 1.00 39.51 ? 340 ARG B CB 1 ATOM 7705 C CG . ARG B 1 340 ? -5.925 9.010 43.146 1.00 44.60 ? 340 ARG B CG 1 ATOM 7706 C CD . ARG B 1 340 ? -6.998 8.417 44.048 1.00 51.50 ? 340 ARG B CD 1 ATOM 7707 N NE . ARG B 1 340 ? -6.800 6.983 44.278 1.00 59.10 ? 340 ARG B NE 1 ATOM 7708 C CZ . ARG B 1 340 ? -7.642 6.021 43.896 1.00 62.39 ? 340 ARG B CZ 1 ATOM 7709 N NH1 . ARG B 1 340 ? -8.763 6.317 43.247 1.00 63.72 ? 340 ARG B NH1 1 ATOM 7710 N NH2 . ARG B 1 340 ? -7.359 4.750 44.162 1.00 63.92 ? 340 ARG B NH2 1 ATOM 7711 N N . LYS B 1 341 ? -3.290 13.164 43.048 1.00 33.55 ? 341 LYS B N 1 ATOM 7712 C CA . LYS B 1 341 ? -2.953 14.489 43.573 1.00 33.33 ? 341 LYS B CA 1 ATOM 7713 C C . LYS B 1 341 ? -2.183 15.346 42.573 1.00 31.35 ? 341 LYS B C 1 ATOM 7714 O O . LYS B 1 341 ? -2.529 16.502 42.342 1.00 29.47 ? 341 LYS B O 1 ATOM 7715 C CB . LYS B 1 341 ? -2.127 14.369 44.863 1.00 35.36 ? 341 LYS B CB 1 ATOM 7716 C CG . LYS B 1 341 ? -2.918 13.922 46.087 1.00 39.06 ? 341 LYS B CG 1 ATOM 7717 C CD . LYS B 1 341 ? -3.699 15.072 46.707 1.00 40.62 ? 341 LYS B CD 1 ATOM 7718 C CE . LYS B 1 341 ? -4.664 14.571 47.772 1.00 43.39 ? 341 LYS B CE 1 ATOM 7719 N NZ . LYS B 1 341 ? -5.460 15.696 48.334 1.00 42.78 ? 341 LYS B NZ 1 ATOM 7720 N N . ASP B 1 342 ? -1.129 14.777 41.995 1.00 29.44 ? 342 ASP B N 1 ATOM 7721 C CA . ASP B 1 342 ? -0.287 15.509 41.063 1.00 28.90 ? 342 ASP B CA 1 ATOM 7722 C C . ASP B 1 342 ? -0.713 15.337 39.604 1.00 26.14 ? 342 ASP B C 1 ATOM 7723 O O . ASP B 1 342 ? -0.823 14.213 39.092 1.00 25.45 ? 342 ASP B O 1 ATOM 7724 C CB . ASP B 1 342 ? 1.182 15.142 41.253 1.00 30.67 ? 342 ASP B CB 1 ATOM 7725 C CG . ASP B 1 342 ? 1.722 15.587 42.599 1.00 33.28 ? 342 ASP B CG 1 ATOM 7726 O OD1 . ASP B 1 342 ? 2.027 16.792 42.765 1.00 33.57 ? 342 ASP B OD1 1 ATOM 7727 O OD2 . ASP B 1 342 ? 1.859 14.722 43.487 1.00 34.13 ? 342 ASP B OD2 1 ATOM 7728 N N . PHE B 1 343 ? -0.962 16.478 38.963 1.00 23.59 ? 343 PHE B N 1 ATOM 7729 C CA . PHE B 1 343 ? -1.297 16.579 37.548 1.00 21.51 ? 343 PHE B CA 1 ATOM 7730 C C . PHE B 1 343 ? -0.609 17.826 37.003 1.00 20.61 ? 343 PHE B C 1 ATOM 7731 O O . PHE B 1 343 ? -0.674 18.885 37.626 1.00 19.35 ? 343 PHE B O 1 ATOM 7732 C CB . PHE B 1 343 ? -2.809 16.706 37.361 1.00 21.70 ? 343 PHE B CB 1 ATOM 7733 C CG . PHE B 1 343 ? -3.607 15.696 38.146 1.00 21.56 ? 343 PHE B CG 1 ATOM 7734 C CD1 . PHE B 1 343 ? -3.897 14.452 37.606 1.00 21.93 ? 343 PHE B CD1 1 ATOM 7735 C CD2 . PHE B 1 343 ? -4.056 15.989 39.436 1.00 22.14 ? 343 PHE B CD2 1 ATOM 7736 C CE1 . PHE B 1 343 ? -4.641 13.516 38.327 1.00 21.99 ? 343 PHE B CE1 1 ATOM 7737 C CE2 . PHE B 1 343 ? -4.797 15.056 40.165 1.00 22.62 ? 343 PHE B CE2 1 ATOM 7738 C CZ . PHE B 1 343 ? -5.091 13.819 39.604 1.00 21.92 ? 343 PHE B CZ 1 ATOM 7739 N N . ARG B 1 344 ? 0.055 17.692 35.855 1.00 20.18 ? 344 ARG B N 1 ATOM 7740 C CA . ARG B 1 344 ? 0.891 18.763 35.309 1.00 19.66 ? 344 ARG B CA 1 ATOM 7741 C C . ARG B 1 344 ? 0.842 18.865 33.802 1.00 18.67 ? 344 ARG B C 1 ATOM 7742 O O . ARG B 1 344 ? 0.663 17.865 33.105 1.00 18.33 ? 344 ARG B O 1 ATOM 7743 C CB . ARG B 1 344 ? 2.360 18.553 35.690 1.00 21.16 ? 344 ARG B CB 1 ATOM 7744 C CG . ARG B 1 344 ? 2.628 18.433 37.173 1.00 22.33 ? 344 ARG B CG 1 ATOM 7745 C CD . ARG B 1 344 ? 4.112 18.359 37.483 1.00 23.82 ? 344 ARG B CD 1 ATOM 7746 N NE . ARG B 1 344 ? 4.279 18.169 38.923 1.00 25.35 ? 344 ARG B NE 1 ATOM 7747 C CZ . ARG B 1 344 ? 5.442 18.063 39.560 1.00 26.94 ? 344 ARG B CZ 1 ATOM 7748 N NH1 . ARG B 1 344 ? 6.593 18.126 38.900 1.00 26.30 ? 344 ARG B NH1 1 ATOM 7749 N NH2 . ARG B 1 344 ? 5.444 17.886 40.873 1.00 27.13 ? 344 ARG B NH2 1 ATOM 7750 N N . ILE B 1 345 ? 1.045 20.081 33.302 1.00 18.61 ? 345 ILE B N 1 ATOM 7751 C CA . ILE B 1 345 ? 1.333 20.284 31.877 1.00 17.75 ? 345 ILE B CA 1 ATOM 7752 C C . ILE B 1 345 ? 2.789 20.724 31.724 1.00 18.38 ? 345 ILE B C 1 ATOM 7753 O O . ILE B 1 345 ? 3.326 21.455 32.563 1.00 18.10 ? 345 ILE B O 1 ATOM 7754 C CB . ILE B 1 345 ? 0.343 21.267 31.198 1.00 17.09 ? 345 ILE B CB 1 ATOM 7755 C CG1 . ILE B 1 345 ? -1.023 20.582 31.044 1.00 17.09 ? 345 ILE B CG1 1 ATOM 7756 C CG2 . ILE B 1 345 ? 0.876 21.728 29.831 1.00 17.01 ? 345 ILE B CG2 1 ATOM 7757 C CD1 . ILE B 1 345 ? -2.200 21.499 30.778 1.00 16.96 ? 345 ILE B CD1 1 ATOM 7758 N N . LYS B 1 346 ? 3.420 20.237 30.662 1.00 18.58 ? 346 LYS B N 1 ATOM 7759 C CA . LYS B 1 346 ? 4.745 20.661 30.280 1.00 19.38 ? 346 LYS B CA 1 ATOM 7760 C C . LYS B 1 346 ? 4.612 21.186 28.852 1.00 19.75 ? 346 LYS B C 1 ATOM 7761 O O . LYS B 1 346 ? 4.496 20.397 27.915 1.00 19.47 ? 346 LYS B O 1 ATOM 7762 C CB . LYS B 1 346 ? 5.728 19.478 30.356 1.00 19.60 ? 346 LYS B CB 1 ATOM 7763 C CG . LYS B 1 346 ? 7.128 19.803 29.841 1.00 19.82 ? 346 LYS B CG 1 ATOM 7764 C CD . LYS B 1 346 ? 7.945 18.564 29.481 1.00 20.24 ? 346 LYS B CD 1 ATOM 7765 C CE . LYS B 1 346 ? 7.326 17.790 28.314 1.00 20.68 ? 346 LYS B CE 1 ATOM 7766 N NZ . LYS B 1 346 ? 7.023 18.698 27.173 1.00 20.32 ? 346 LYS B NZ 1 ATOM 7767 N N . GLN B 1 347 ? 4.605 22.513 28.698 1.00 19.95 ? 347 GLN B N 1 ATOM 7768 C CA . GLN B 1 347 ? 4.414 23.166 27.393 1.00 19.92 ? 347 GLN B CA 1 ATOM 7769 C C . GLN B 1 347 ? 5.312 24.386 27.306 1.00 20.31 ? 347 GLN B C 1 ATOM 7770 O O . GLN B 1 347 ? 5.316 25.217 28.217 1.00 19.60 ? 347 GLN B O 1 ATOM 7771 C CB . GLN B 1 347 ? 2.941 23.578 27.176 1.00 20.00 ? 347 GLN B CB 1 ATOM 7772 C CG . GLN B 1 347 ? 2.642 24.318 25.858 1.00 19.68 ? 347 GLN B CG 1 ATOM 7773 C CD . GLN B 1 347 ? 1.151 24.594 25.657 1.00 19.25 ? 347 GLN B CD 1 ATOM 7774 O OE1 . GLN B 1 347 ? 0.307 24.056 26.377 1.00 20.03 ? 347 GLN B OE1 1 ATOM 7775 N NE2 . GLN B 1 347 ? 0.823 25.442 24.689 1.00 18.67 ? 347 GLN B NE2 1 ATOM 7776 N N . CYS B 1 348 ? 6.064 24.479 26.206 1.00 20.10 ? 348 CYS B N 1 ATOM 7777 C CA . CYS B 1 348 ? 6.891 25.643 25.903 1.00 21.22 ? 348 CYS B CA 1 ATOM 7778 C C . CYS B 1 348 ? 6.003 26.721 25.252 1.00 20.92 ? 348 CYS B C 1 ATOM 7779 O O . CYS B 1 348 ? 6.129 27.040 24.060 1.00 20.75 ? 348 CYS B O 1 ATOM 7780 C CB . CYS B 1 348 ? 8.073 25.227 24.999 1.00 21.73 ? 348 CYS B CB 1 ATOM 7781 S SG . CYS B 1 348 ? 9.281 24.133 25.807 1.00 23.88 ? 348 CYS B SG 1 ATOM 7782 N N . THR B 1 349 ? 5.108 27.286 26.060 1.00 19.85 ? 349 THR B N 1 ATOM 7783 C CA . THR B 1 349 ? 3.983 28.066 25.554 1.00 20.10 ? 349 THR B CA 1 ATOM 7784 C C . THR B 1 349 ? 4.418 29.355 24.857 1.00 20.37 ? 349 THR B C 1 ATOM 7785 O O . THR B 1 349 ? 5.207 30.102 25.393 1.00 20.85 ? 349 THR B O 1 ATOM 7786 C CB . THR B 1 349 ? 2.988 28.406 26.677 1.00 19.66 ? 349 THR B CB 1 ATOM 7787 O OG1 . THR B 1 349 ? 2.731 27.232 27.468 1.00 19.06 ? 349 THR B OG1 1 ATOM 7788 C CG2 . THR B 1 349 ? 1.677 28.949 26.105 1.00 19.63 ? 349 THR B CG2 1 ATOM 7789 N N . ARG B 1 350 ? 3.889 29.585 23.663 1.00 20.28 ? 350 ARG B N 1 ATOM 7790 C CA . ARG B 1 350 ? 4.120 30.817 22.939 1.00 21.70 ? 350 ARG B CA 1 ATOM 7791 C C . ARG B 1 350 ? 2.800 31.566 22.859 1.00 21.79 ? 350 ARG B C 1 ATOM 7792 O O . ARG B 1 350 ? 1.727 30.959 22.895 1.00 21.22 ? 350 ARG B O 1 ATOM 7793 C CB . ARG B 1 350 ? 4.667 30.540 21.536 1.00 21.64 ? 350 ARG B CB 1 ATOM 7794 C CG . ARG B 1 350 ? 6.117 30.066 21.515 1.00 22.78 ? 350 ARG B CG 1 ATOM 7795 C CD . ARG B 1 350 ? 6.502 29.561 20.129 1.00 23.72 ? 350 ARG B CD 1 ATOM 7796 N NE . ARG B 1 350 ? 5.725 28.370 19.767 1.00 24.02 ? 350 ARG B NE 1 ATOM 7797 C CZ . ARG B 1 350 ? 4.722 28.347 18.893 1.00 24.71 ? 350 ARG B CZ 1 ATOM 7798 N NH1 . ARG B 1 350 ? 4.347 29.446 18.262 1.00 26.33 ? 350 ARG B NH1 1 ATOM 7799 N NH2 . ARG B 1 350 ? 4.073 27.217 18.669 1.00 25.61 ? 350 ARG B NH2 1 ATOM 7800 N N . VAL B 1 351 ? 2.885 32.886 22.768 1.00 21.42 ? 351 VAL B N 1 ATOM 7801 C CA . VAL B 1 351 ? 1.697 33.720 22.740 1.00 22.19 ? 351 VAL B CA 1 ATOM 7802 C C . VAL B 1 351 ? 1.162 33.864 21.311 1.00 22.68 ? 351 VAL B C 1 ATOM 7803 O O . VAL B 1 351 ? 1.501 34.795 20.579 1.00 23.75 ? 351 VAL B O 1 ATOM 7804 C CB . VAL B 1 351 ? 1.932 35.061 23.459 1.00 22.69 ? 351 VAL B CB 1 ATOM 7805 C CG1 . VAL B 1 351 ? 0.653 35.892 23.484 1.00 22.73 ? 351 VAL B CG1 1 ATOM 7806 C CG2 . VAL B 1 351 ? 2.415 34.798 24.885 1.00 22.58 ? 351 VAL B CG2 1 ATOM 7807 N N . THR B 1 352 ? 0.341 32.894 20.913 1.00 22.41 ? 352 THR B N 1 ATOM 7808 C CA . THR B 1 352 ? -0.338 32.912 19.625 1.00 21.87 ? 352 THR B CA 1 ATOM 7809 C C . THR B 1 352 ? -1.725 32.323 19.802 1.00 21.58 ? 352 THR B C 1 ATOM 7810 O O . THR B 1 352 ? -2.015 31.668 20.819 1.00 20.50 ? 352 THR B O 1 ATOM 7811 C CB . THR B 1 352 ? 0.374 32.047 18.557 1.00 22.04 ? 352 THR B CB 1 ATOM 7812 O OG1 . THR B 1 352 ? 0.281 30.671 18.934 1.00 20.51 ? 352 THR B OG1 1 ATOM 7813 C CG2 . THR B 1 352 ? 1.852 32.458 18.370 1.00 22.17 ? 352 THR B CG2 1 ATOM 7814 N N . MET B 1 353 ? -2.572 32.535 18.801 1.00 22.10 ? 353 MET B N 1 ATOM 7815 C CA . MET B 1 353 ? -3.906 31.973 18.826 1.00 23.53 ? 353 MET B CA 1 ATOM 7816 C C . MET B 1 353 ? -3.855 30.444 18.782 1.00 23.44 ? 353 MET B C 1 ATOM 7817 O O . MET B 1 353 ? -4.551 29.793 19.560 1.00 22.57 ? 353 MET B O 1 ATOM 7818 C CB . MET B 1 353 ? -4.756 32.518 17.689 1.00 24.89 ? 353 MET B CB 1 ATOM 7819 C CG . MET B 1 353 ? -6.210 32.090 17.780 1.00 26.38 ? 353 MET B CG 1 ATOM 7820 S SD . MET B 1 353 ? -7.103 32.847 16.417 1.00 30.30 ? 353 MET B SD 1 ATOM 7821 C CE . MET B 1 353 ? -8.789 32.327 16.786 1.00 29.33 ? 353 MET B CE 1 ATOM 7822 N N . ASP B 1 354 ? -3.028 29.870 17.899 1.00 23.35 ? 354 ASP B N 1 ATOM 7823 C CA . ASP B 1 354 ? -2.967 28.400 17.829 1.00 22.89 ? 354 ASP B CA 1 ATOM 7824 C C . ASP B 1 354 ? -2.444 27.778 19.134 1.00 21.53 ? 354 ASP B C 1 ATOM 7825 O O . ASP B 1 354 ? -2.883 26.706 19.522 1.00 20.13 ? 354 ASP B O 1 ATOM 7826 C CB . ASP B 1 354 ? -2.334 27.827 16.530 1.00 24.22 ? 354 ASP B CB 1 ATOM 7827 C CG . ASP B 1 354 ? -0.880 28.240 16.295 1.00 27.16 ? 354 ASP B CG 1 ATOM 7828 O OD1 . ASP B 1 354 ? -0.252 28.907 17.140 1.00 28.51 ? 354 ASP B OD1 1 ATOM 7829 O OD2 . ASP B 1 354 ? -0.343 27.864 15.213 1.00 28.52 ? 354 ASP B OD2 1 ATOM 7830 N N . GLN B 1 355 ? -1.572 28.500 19.836 1.00 19.98 ? 355 GLN B N 1 ATOM 7831 C CA . GLN B 1 355 ? -1.118 28.084 21.162 1.00 19.26 ? 355 GLN B CA 1 ATOM 7832 C C . GLN B 1 355 ? -2.208 28.168 22.232 1.00 19.07 ? 355 GLN B C 1 ATOM 7833 O O . GLN B 1 355 ? -2.259 27.333 23.126 1.00 18.85 ? 355 GLN B O 1 ATOM 7834 C CB . GLN B 1 355 ? 0.127 28.863 21.598 1.00 18.79 ? 355 GLN B CB 1 ATOM 7835 C CG . GLN B 1 355 ? 1.416 28.324 20.974 1.00 18.93 ? 355 GLN B CG 1 ATOM 7836 C CD . GLN B 1 355 ? 1.889 27.044 21.630 1.00 19.03 ? 355 GLN B CD 1 ATOM 7837 O OE1 . GLN B 1 355 ? 1.684 25.930 21.103 1.00 18.74 ? 355 GLN B OE1 1 ATOM 7838 N NE2 . GLN B 1 355 ? 2.527 27.182 22.778 1.00 18.33 ? 355 GLN B NE2 1 ATOM 7839 N N . LEU B 1 356 ? -3.072 29.173 22.131 1.00 19.13 ? 356 LEU B N 1 ATOM 7840 C CA . LEU B 1 356 ? -4.220 29.271 23.009 1.00 19.30 ? 356 LEU B CA 1 ATOM 7841 C C . LEU B 1 356 ? -5.096 28.021 22.860 1.00 18.58 ? 356 LEU B C 1 ATOM 7842 O O . LEU B 1 356 ? -5.541 27.454 23.856 1.00 18.36 ? 356 LEU B O 1 ATOM 7843 C CB . LEU B 1 356 ? -5.012 30.550 22.727 1.00 19.96 ? 356 LEU B CB 1 ATOM 7844 C CG . LEU B 1 356 ? -6.243 30.792 23.611 1.00 20.98 ? 356 LEU B CG 1 ATOM 7845 C CD1 . LEU B 1 356 ? -5.856 30.897 25.094 1.00 20.34 ? 356 LEU B CD1 1 ATOM 7846 C CD2 . LEU B 1 356 ? -6.959 32.053 23.140 1.00 20.82 ? 356 LEU B CD2 1 ATOM 7847 N N . SER B 1 357 ? -5.306 27.579 21.622 1.00 18.80 ? 357 SER B N 1 ATOM 7848 C CA . SER B 1 357 ? -6.015 26.304 21.375 1.00 18.77 ? 357 SER B CA 1 ATOM 7849 C C . SER B 1 357 ? -5.262 25.099 21.931 1.00 17.93 ? 357 SER B C 1 ATOM 7850 O O . SER B 1 357 ? -5.885 24.196 22.483 1.00 17.69 ? 357 SER B O 1 ATOM 7851 C CB . SER B 1 357 ? -6.307 26.104 19.883 1.00 19.76 ? 357 SER B CB 1 ATOM 7852 O OG . SER B 1 357 ? -7.274 27.043 19.454 1.00 21.52 ? 357 SER B OG 1 ATOM 7853 N N . THR B 1 358 ? -3.933 25.090 21.781 1.00 17.07 ? 358 THR B N 1 ATOM 7854 C CA . THR B 1 358 ? -3.084 24.017 22.321 1.00 16.68 ? 358 THR B CA 1 ATOM 7855 C C . THR B 1 358 ? -3.197 23.917 23.854 1.00 16.12 ? 358 THR B C 1 ATOM 7856 O O . THR B 1 358 ? -3.210 22.817 24.410 1.00 15.52 ? 358 THR B O 1 ATOM 7857 C CB . THR B 1 358 ? -1.601 24.196 21.926 1.00 17.29 ? 358 THR B CB 1 ATOM 7858 O OG1 . THR B 1 358 ? -1.477 24.097 20.498 1.00 17.49 ? 358 THR B OG1 1 ATOM 7859 C CG2 . THR B 1 358 ? -0.718 23.112 22.575 1.00 17.51 ? 358 THR B CG2 1 ATOM 7860 N N . VAL B 1 359 ? -3.257 25.066 24.529 1.00 15.53 ? 359 VAL B N 1 ATOM 7861 C CA . VAL B 1 359 ? -3.469 25.079 25.979 1.00 15.09 ? 359 VAL B CA 1 ATOM 7862 C C . VAL B 1 359 ? -4.782 24.358 26.344 1.00 14.80 ? 359 VAL B C 1 ATOM 7863 O O . VAL B 1 359 ? -4.805 23.517 27.265 1.00 14.25 ? 359 VAL B O 1 ATOM 7864 C CB . VAL B 1 359 ? -3.408 26.518 26.537 1.00 15.15 ? 359 VAL B CB 1 ATOM 7865 C CG1 . VAL B 1 359 ? -3.883 26.579 27.996 1.00 14.70 ? 359 VAL B CG1 1 ATOM 7866 C CG2 . VAL B 1 359 ? -1.976 27.039 26.416 1.00 14.58 ? 359 VAL B CG2 1 ATOM 7867 N N . HIS B 1 360 ? -5.849 24.652 25.595 1.00 14.96 ? 360 HIS B N 1 ATOM 7868 C CA . HIS B 1 360 ? -7.134 23.986 25.819 1.00 15.83 ? 360 HIS B CA 1 ATOM 7869 C C . HIS B 1 360 ? -7.015 22.479 25.604 1.00 16.02 ? 360 HIS B C 1 ATOM 7870 O O . HIS B 1 360 ? -7.509 21.689 26.423 1.00 16.69 ? 360 HIS B O 1 ATOM 7871 C CB . HIS B 1 360 ? -8.239 24.575 24.925 1.00 16.18 ? 360 HIS B CB 1 ATOM 7872 C CG . HIS B 1 360 ? -8.709 25.918 25.377 1.00 17.06 ? 360 HIS B CG 1 ATOM 7873 N ND1 . HIS B 1 360 ? -8.002 27.077 25.125 1.00 16.93 ? 360 HIS B ND1 1 ATOM 7874 C CD2 . HIS B 1 360 ? -9.793 26.282 26.104 1.00 17.39 ? 360 HIS B CD2 1 ATOM 7875 C CE1 . HIS B 1 360 ? -8.639 28.099 25.670 1.00 17.59 ? 360 HIS B CE1 1 ATOM 7876 N NE2 . HIS B 1 360 ? -9.728 27.645 26.267 1.00 18.09 ? 360 HIS B NE2 1 ATOM 7877 N N . HIS B 1 361 ? -6.352 22.089 24.511 1.00 15.97 ? 361 HIS B N 1 ATOM 7878 C CA . HIS B 1 361 ? -6.114 20.664 24.208 1.00 15.42 ? 361 HIS B CA 1 ATOM 7879 C C . HIS B 1 361 ? -5.470 19.963 25.396 1.00 15.28 ? 361 HIS B C 1 ATOM 7880 O O . HIS B 1 361 ? -5.945 18.917 25.839 1.00 15.06 ? 361 HIS B O 1 ATOM 7881 C CB . HIS B 1 361 ? -5.215 20.487 22.963 1.00 14.86 ? 361 HIS B CB 1 ATOM 7882 C CG . HIS B 1 361 ? -4.893 19.049 22.663 1.00 14.71 ? 361 HIS B CG 1 ATOM 7883 N ND1 . HIS B 1 361 ? -5.765 18.226 21.984 1.00 14.86 ? 361 HIS B ND1 1 ATOM 7884 C CD2 . HIS B 1 361 ? -3.826 18.278 22.987 1.00 14.48 ? 361 HIS B CD2 1 ATOM 7885 C CE1 . HIS B 1 361 ? -5.254 17.014 21.892 1.00 15.23 ? 361 HIS B CE1 1 ATOM 7886 N NE2 . HIS B 1 361 ? -4.076 17.013 22.498 1.00 14.97 ? 361 HIS B NE2 1 ATOM 7887 N N . GLU B 1 362 ? -4.368 20.524 25.894 1.00 15.05 ? 362 GLU B N 1 ATOM 7888 C CA . GLU B 1 362 ? -3.647 19.926 27.032 1.00 15.98 ? 362 GLU B CA 1 ATOM 7889 C C . GLU B 1 362 ? -4.470 19.910 28.324 1.00 16.28 ? 362 GLU B C 1 ATOM 7890 O O . GLU B 1 362 ? -4.458 18.920 29.067 1.00 16.29 ? 362 GLU B O 1 ATOM 7891 C CB . GLU B 1 362 ? -2.304 20.653 27.284 1.00 15.69 ? 362 GLU B CB 1 ATOM 7892 C CG . GLU B 1 362 ? -1.399 20.789 26.063 1.00 16.33 ? 362 GLU B CG 1 ATOM 7893 C CD . GLU B 1 362 ? -1.123 19.474 25.345 1.00 16.86 ? 362 GLU B CD 1 ATOM 7894 O OE1 . GLU B 1 362 ? -1.022 18.421 26.005 1.00 17.49 ? 362 GLU B OE1 1 ATOM 7895 O OE2 . GLU B 1 362 ? -1.004 19.494 24.109 1.00 17.66 ? 362 GLU B OE2 1 ATOM 7896 N N . MET B 1 363 ? -5.169 21.005 28.601 1.00 16.73 ? 363 MET B N 1 ATOM 7897 C CA . MET B 1 363 ? -6.016 21.075 29.793 1.00 17.30 ? 363 MET B CA 1 ATOM 7898 C C . MET B 1 363 ? -7.197 20.106 29.708 1.00 17.40 ? 363 MET B C 1 ATOM 7899 O O . MET B 1 363 ? -7.726 19.676 30.736 1.00 17.54 ? 363 MET B O 1 ATOM 7900 C CB . MET B 1 363 ? -6.538 22.495 30.022 1.00 18.24 ? 363 MET B CB 1 ATOM 7901 C CG . MET B 1 363 ? -7.170 22.674 31.406 1.00 19.47 ? 363 MET B CG 1 ATOM 7902 S SD . MET B 1 363 ? -7.352 24.409 31.857 1.00 21.21 ? 363 MET B SD 1 ATOM 7903 C CE . MET B 1 363 ? -5.644 24.892 32.057 1.00 19.19 ? 363 MET B CE 1 ATOM 7904 N N . GLY B 1 364 ? -7.613 19.796 28.480 1.00 17.48 ? 364 GLY B N 1 ATOM 7905 C CA . GLY B 1 364 ? -8.594 18.752 28.219 1.00 17.62 ? 364 GLY B CA 1 ATOM 7906 C C . GLY B 1 364 ? -8.116 17.405 28.745 1.00 18.47 ? 364 GLY B C 1 ATOM 7907 O O . GLY B 1 364 ? -8.883 16.695 29.379 1.00 18.07 ? 364 GLY B O 1 ATOM 7908 N N . HIS B 1 365 ? -6.846 17.062 28.500 1.00 18.09 ? 365 HIS B N 1 ATOM 7909 C CA . HIS B 1 365 ? -6.246 15.848 29.084 1.00 18.39 ? 365 HIS B CA 1 ATOM 7910 C C . HIS B 1 365 ? -6.265 15.897 30.625 1.00 18.43 ? 365 HIS B C 1 ATOM 7911 O O . HIS B 1 365 ? -6.681 14.928 31.273 1.00 19.01 ? 365 HIS B O 1 ATOM 7912 C CB . HIS B 1 365 ? -4.805 15.646 28.612 1.00 17.69 ? 365 HIS B CB 1 ATOM 7913 C CG . HIS B 1 365 ? -4.653 15.315 27.153 1.00 17.97 ? 365 HIS B CG 1 ATOM 7914 N ND1 . HIS B 1 365 ? -5.347 14.294 26.535 1.00 18.10 ? 365 HIS B ND1 1 ATOM 7915 C CD2 . HIS B 1 365 ? -3.835 15.837 26.207 1.00 17.57 ? 365 HIS B CD2 1 ATOM 7916 C CE1 . HIS B 1 365 ? -4.965 14.207 25.271 1.00 17.97 ? 365 HIS B CE1 1 ATOM 7917 N NE2 . HIS B 1 365 ? -4.049 15.133 25.046 1.00 17.26 ? 365 HIS B NE2 1 ATOM 7918 N N . ILE B 1 366 ? -5.820 17.009 31.212 1.00 17.62 ? 366 ILE B N 1 ATOM 7919 C CA . ILE B 1 366 ? -5.872 17.179 32.682 1.00 17.76 ? 366 ILE B CA 1 ATOM 7920 C C . ILE B 1 366 ? -7.296 17.026 33.253 1.00 18.94 ? 366 ILE B C 1 ATOM 7921 O O . ILE B 1 366 ? -7.500 16.313 34.244 1.00 19.32 ? 366 ILE B O 1 ATOM 7922 C CB . ILE B 1 366 ? -5.253 18.529 33.156 1.00 17.68 ? 366 ILE B CB 1 ATOM 7923 C CG1 . ILE B 1 366 ? -3.803 18.685 32.663 1.00 16.98 ? 366 ILE B CG1 1 ATOM 7924 C CG2 . ILE B 1 366 ? -5.336 18.676 34.684 1.00 17.26 ? 366 ILE B CG2 1 ATOM 7925 C CD1 . ILE B 1 366 ? -2.812 17.681 33.229 1.00 16.91 ? 366 ILE B CD1 1 ATOM 7926 N N . GLN B 1 367 ? -8.281 17.665 32.630 1.00 19.44 ? 367 GLN B N 1 ATOM 7927 C CA . GLN B 1 367 ? -9.670 17.574 33.110 1.00 20.37 ? 367 GLN B CA 1 ATOM 7928 C C . GLN B 1 367 ? -10.120 16.114 33.182 1.00 21.26 ? 367 GLN B C 1 ATOM 7929 O O . GLN B 1 367 ? -10.724 15.689 34.176 1.00 21.30 ? 367 GLN B O 1 ATOM 7930 C CB . GLN B 1 367 ? -10.612 18.376 32.213 1.00 20.13 ? 367 GLN B CB 1 ATOM 7931 C CG . GLN B 1 367 ? -11.996 18.627 32.797 1.00 21.17 ? 367 GLN B CG 1 ATOM 7932 C CD . GLN B 1 367 ? -11.973 19.309 34.154 1.00 21.75 ? 367 GLN B CD 1 ATOM 7933 O OE1 . GLN B 1 367 ? -12.525 18.785 35.119 1.00 23.25 ? 367 GLN B OE1 1 ATOM 7934 N NE2 . GLN B 1 367 ? -11.334 20.480 34.240 1.00 22.43 ? 367 GLN B NE2 1 ATOM 7935 N N . TYR B 1 368 ? -9.795 15.346 32.139 1.00 21.26 ? 368 TYR B N 1 ATOM 7936 C CA . TYR B 1 368 ? -10.046 13.915 32.126 1.00 22.05 ? 368 TYR B CA 1 ATOM 7937 C C . TYR B 1 368 ? -9.457 13.246 33.364 1.00 22.73 ? 368 TYR B C 1 ATOM 7938 O O . TYR B 1 368 ? -10.163 12.490 34.054 1.00 22.64 ? 368 TYR B O 1 ATOM 7939 C CB . TYR B 1 368 ? -9.454 13.265 30.867 1.00 22.06 ? 368 TYR B CB 1 ATOM 7940 C CG . TYR B 1 368 ? -10.398 12.345 30.123 1.00 22.78 ? 368 TYR B CG 1 ATOM 7941 C CD1 . TYR B 1 368 ? -11.257 11.469 30.801 1.00 24.07 ? 368 TYR B CD1 1 ATOM 7942 C CD2 . TYR B 1 368 ? -10.427 12.341 28.724 1.00 23.04 ? 368 TYR B CD2 1 ATOM 7943 C CE1 . TYR B 1 368 ? -12.126 10.627 30.103 1.00 24.30 ? 368 TYR B CE1 1 ATOM 7944 C CE2 . TYR B 1 368 ? -11.291 11.509 28.023 1.00 23.48 ? 368 TYR B CE2 1 ATOM 7945 C CZ . TYR B 1 368 ? -12.133 10.650 28.715 1.00 24.20 ? 368 TYR B CZ 1 ATOM 7946 O OH . TYR B 1 368 ? -12.981 9.815 28.000 1.00 23.92 ? 368 TYR B OH 1 ATOM 7947 N N . TYR B 1 369 ? -8.175 13.525 33.645 1.00 22.68 ? 369 TYR B N 1 ATOM 7948 C CA . TYR B 1 369 ? -7.481 12.949 34.796 1.00 22.70 ? 369 TYR B CA 1 ATOM 7949 C C . TYR B 1 369 ? -8.201 13.279 36.102 1.00 24.62 ? 369 TYR B C 1 ATOM 7950 O O . TYR B 1 369 ? -8.432 12.394 36.923 1.00 25.14 ? 369 TYR B O 1 ATOM 7951 C CB . TYR B 1 369 ? -6.036 13.451 34.910 1.00 21.81 ? 369 TYR B CB 1 ATOM 7952 C CG . TYR B 1 369 ? -5.093 13.203 33.749 1.00 20.91 ? 369 TYR B CG 1 ATOM 7953 C CD1 . TYR B 1 369 ? -5.262 12.118 32.891 1.00 20.68 ? 369 TYR B CD1 1 ATOM 7954 C CD2 . TYR B 1 369 ? -3.988 14.041 33.544 1.00 20.63 ? 369 TYR B CD2 1 ATOM 7955 C CE1 . TYR B 1 369 ? -4.375 11.880 31.857 1.00 20.31 ? 369 TYR B CE1 1 ATOM 7956 C CE2 . TYR B 1 369 ? -3.097 13.823 32.498 1.00 19.71 ? 369 TYR B CE2 1 ATOM 7957 C CZ . TYR B 1 369 ? -3.294 12.737 31.664 1.00 19.85 ? 369 TYR B CZ 1 ATOM 7958 O OH . TYR B 1 369 ? -2.442 12.473 30.627 1.00 18.90 ? 369 TYR B OH 1 ATOM 7959 N N . LEU B 1 370 ? -8.536 14.557 36.284 1.00 24.74 ? 370 LEU B N 1 ATOM 7960 C CA . LEU B 1 370 ? -9.229 15.028 37.476 1.00 25.76 ? 370 LEU B CA 1 ATOM 7961 C C . LEU B 1 370 ? -10.598 14.370 37.646 1.00 27.25 ? 370 LEU B C 1 ATOM 7962 O O . LEU B 1 370 ? -11.020 14.099 38.773 1.00 27.31 ? 370 LEU B O 1 ATOM 7963 C CB . LEU B 1 370 ? -9.393 16.553 37.444 1.00 25.09 ? 370 LEU B CB 1 ATOM 7964 C CG . LEU B 1 370 ? -8.157 17.437 37.255 1.00 24.07 ? 370 LEU B CG 1 ATOM 7965 C CD1 . LEU B 1 370 ? -8.517 18.915 37.239 1.00 23.03 ? 370 LEU B CD1 1 ATOM 7966 C CD2 . LEU B 1 370 ? -7.143 17.150 38.345 1.00 24.91 ? 370 LEU B CD2 1 ATOM 7967 N N . GLN B 1 371 ? -11.285 14.115 36.535 1.00 27.92 ? 371 GLN B N 1 ATOM 7968 C CA . GLN B 1 371 ? -12.628 13.536 36.590 1.00 29.07 ? 371 GLN B CA 1 ATOM 7969 C C . GLN B 1 371 ? -12.630 12.049 36.890 1.00 29.85 ? 371 GLN B C 1 ATOM 7970 O O . GLN B 1 371 ? -13.569 11.559 37.507 1.00 30.65 ? 371 GLN B O 1 ATOM 7971 C CB . GLN B 1 371 ? -13.421 13.784 35.307 1.00 29.06 ? 371 GLN B CB 1 ATOM 7972 C CG . GLN B 1 371 ? -13.961 15.196 35.085 1.00 30.23 ? 371 GLN B CG 1 ATOM 7973 C CD . GLN B 1 371 ? -14.694 15.819 36.269 1.00 31.07 ? 371 GLN B CD 1 ATOM 7974 O OE1 . GLN B 1 371 ? -14.554 17.018 36.514 1.00 33.67 ? 371 GLN B OE1 1 ATOM 7975 N NE2 . GLN B 1 371 ? -15.472 15.031 36.994 1.00 30.72 ? 371 GLN B NE2 1 ATOM 7976 N N . TYR B 1 372 ? -11.619 11.313 36.437 1.00 28.97 ? 372 TYR B N 1 ATOM 7977 C CA . TYR B 1 372 ? -11.605 9.873 36.732 1.00 30.04 ? 372 TYR B CA 1 ATOM 7978 C C . TYR B 1 372 ? -10.560 9.435 37.770 1.00 30.62 ? 372 TYR B C 1 ATOM 7979 O O . TYR B 1 372 ? -10.251 8.250 37.886 1.00 31.42 ? 372 TYR B O 1 ATOM 7980 C CB . TYR B 1 372 ? -11.542 9.012 35.460 1.00 28.60 ? 372 TYR B CB 1 ATOM 7981 C CG . TYR B 1 372 ? -10.312 9.147 34.570 1.00 27.87 ? 372 TYR B CG 1 ATOM 7982 C CD1 . TYR B 1 372 ? -9.026 9.246 35.103 1.00 26.59 ? 372 TYR B CD1 1 ATOM 7983 C CD2 . TYR B 1 372 ? -10.447 9.122 33.184 1.00 27.12 ? 372 TYR B CD2 1 ATOM 7984 C CE1 . TYR B 1 372 ? -7.919 9.347 34.275 1.00 26.62 ? 372 TYR B CE1 1 ATOM 7985 C CE2 . TYR B 1 372 ? -9.344 9.221 32.346 1.00 27.46 ? 372 TYR B CE2 1 ATOM 7986 C CZ . TYR B 1 372 ? -8.084 9.332 32.896 1.00 26.45 ? 372 TYR B CZ 1 ATOM 7987 O OH . TYR B 1 372 ? -6.986 9.407 32.071 1.00 26.84 ? 372 TYR B OH 1 ATOM 7988 N N . LYS B 1 373 ? -10.046 10.390 38.536 1.00 31.42 ? 373 LYS B N 1 ATOM 7989 C CA . LYS B 1 373 ? -8.975 10.107 39.498 1.00 33.41 ? 373 LYS B CA 1 ATOM 7990 C C . LYS B 1 373 ? -9.362 9.152 40.646 1.00 35.57 ? 373 LYS B C 1 ATOM 7991 O O . LYS B 1 373 ? -8.485 8.603 41.304 1.00 33.84 ? 373 LYS B O 1 ATOM 7992 C CB . LYS B 1 373 ? -8.387 11.406 40.056 1.00 32.36 ? 373 LYS B CB 1 ATOM 7993 C CG . LYS B 1 373 ? -9.222 12.141 41.095 1.00 34.23 ? 373 LYS B CG 1 ATOM 7994 C CD . LYS B 1 373 ? -8.475 13.391 41.546 1.00 35.84 ? 373 LYS B CD 1 ATOM 7995 C CE . LYS B 1 373 ? -8.991 13.929 42.872 1.00 37.13 ? 373 LYS B CE 1 ATOM 7996 N NZ . LYS B 1 373 ? -10.423 14.303 42.767 1.00 40.24 ? 373 LYS B NZ 1 ATOM 7997 N N . ASP B 1 374 ? -10.662 8.961 40.874 1.00 39.20 ? 374 ASP B N 1 ATOM 7998 C CA . ASP B 1 374 ? -11.119 8.077 41.954 1.00 43.08 ? 374 ASP B CA 1 ATOM 7999 C C . ASP B 1 374 ? -11.415 6.652 41.474 1.00 44.62 ? 374 ASP B C 1 ATOM 8000 O O . ASP B 1 374 ? -11.685 5.763 42.285 1.00 46.51 ? 374 ASP B O 1 ATOM 8001 C CB . ASP B 1 374 ? -12.319 8.676 42.691 1.00 44.49 ? 374 ASP B CB 1 ATOM 8002 C CG . ASP B 1 374 ? -11.990 9.991 43.376 1.00 46.38 ? 374 ASP B CG 1 ATOM 8003 O OD1 . ASP B 1 374 ? -10.839 10.178 43.832 1.00 46.36 ? 374 ASP B OD1 1 ATOM 8004 O OD2 . ASP B 1 374 ? -12.897 10.843 43.462 1.00 49.53 ? 374 ASP B OD2 1 ATOM 8005 N N . LEU B 1 375 ? -11.360 6.437 40.162 1.00 44.11 ? 375 LEU B N 1 ATOM 8006 C CA . LEU B 1 375 ? -11.425 5.089 39.609 1.00 45.37 ? 375 LEU B CA 1 ATOM 8007 C C . LEU B 1 375 ? -10.119 4.325 39.901 1.00 46.75 ? 375 LEU B C 1 ATOM 8008 O O . LEU B 1 375 ? -9.081 4.945 40.138 1.00 45.06 ? 375 LEU B O 1 ATOM 8009 C CB . LEU B 1 375 ? -11.698 5.121 38.098 1.00 45.18 ? 375 LEU B CB 1 ATOM 8010 C CG . LEU B 1 375 ? -12.922 5.844 37.508 1.00 45.64 ? 375 LEU B CG 1 ATOM 8011 C CD1 . LEU B 1 375 ? -13.204 5.346 36.096 1.00 44.23 ? 375 LEU B CD1 1 ATOM 8012 C CD2 . LEU B 1 375 ? -14.171 5.725 38.375 1.00 45.87 ? 375 LEU B CD2 1 ATOM 8013 N N . PRO B 1 376 ? -10.179 2.976 39.922 1.00 47.70 ? 376 PRO B N 1 ATOM 8014 C CA . PRO B 1 376 ? -8.977 2.128 39.947 1.00 47.42 ? 376 PRO B CA 1 ATOM 8015 C C . PRO B 1 376 ? -8.103 2.347 38.701 1.00 45.20 ? 376 PRO B C 1 ATOM 8016 O O . PRO B 1 376 ? -8.647 2.495 37.606 1.00 45.13 ? 376 PRO B O 1 ATOM 8017 C CB . PRO B 1 376 ? -9.557 0.711 39.934 1.00 48.42 ? 376 PRO B CB 1 ATOM 8018 C CG . PRO B 1 376 ? -10.899 0.845 40.557 1.00 49.56 ? 376 PRO B CG 1 ATOM 8019 C CD . PRO B 1 376 ? -11.410 2.183 40.107 1.00 49.13 ? 376 PRO B CD 1 ATOM 8020 N N . VAL B 1 377 ? -6.776 2.337 38.868 1.00 43.03 ? 377 VAL B N 1 ATOM 8021 C CA . VAL B 1 377 ? -5.824 2.778 37.812 1.00 43.70 ? 377 VAL B CA 1 ATOM 8022 C C . VAL B 1 377 ? -6.071 2.301 36.379 1.00 42.02 ? 377 VAL B C 1 ATOM 8023 O O . VAL B 1 377 ? -5.899 3.069 35.433 1.00 41.14 ? 377 VAL B O 1 ATOM 8024 C CB . VAL B 1 377 ? -4.327 2.508 38.148 1.00 44.65 ? 377 VAL B CB 1 ATOM 8025 C CG1 . VAL B 1 377 ? -3.794 3.536 39.121 1.00 44.80 ? 377 VAL B CG1 1 ATOM 8026 C CG2 . VAL B 1 377 ? -4.103 1.100 38.674 1.00 45.77 ? 377 VAL B CG2 1 ATOM 8027 N N . SER B 1 378 ? -6.459 1.039 36.224 1.00 40.63 ? 378 SER B N 1 ATOM 8028 C CA . SER B 1 378 ? -6.660 0.457 34.899 1.00 39.76 ? 378 SER B CA 1 ATOM 8029 C C . SER B 1 378 ? -7.874 1.059 34.178 1.00 37.81 ? 378 SER B C 1 ATOM 8030 O O . SER B 1 378 ? -8.033 0.880 32.973 1.00 37.73 ? 378 SER B O 1 ATOM 8031 C CB . SER B 1 378 ? -6.786 -1.071 34.988 1.00 41.51 ? 378 SER B CB 1 ATOM 8032 O OG . SER B 1 378 ? -5.636 -1.653 35.585 1.00 41.96 ? 378 SER B OG 1 ATOM 8033 N N . LEU B 1 379 ? -8.712 1.782 34.919 1.00 35.90 ? 379 LEU B N 1 ATOM 8034 C CA . LEU B 1 379 ? -9.856 2.471 34.329 1.00 35.99 ? 379 LEU B CA 1 ATOM 8035 C C . LEU B 1 379 ? -9.574 3.963 34.103 1.00 34.40 ? 379 LEU B C 1 ATOM 8036 O O . LEU B 1 379 ? -10.448 4.711 33.651 1.00 34.29 ? 379 LEU B O 1 ATOM 8037 C CB . LEU B 1 379 ? -11.105 2.281 35.198 1.00 36.52 ? 379 LEU B CB 1 ATOM 8038 C CG . LEU B 1 379 ? -11.534 0.833 35.477 1.00 37.66 ? 379 LEU B CG 1 ATOM 8039 C CD1 . LEU B 1 379 ? -12.865 0.820 36.211 1.00 38.11 ? 379 LEU B CD1 1 ATOM 8040 C CD2 . LEU B 1 379 ? -11.607 -0.002 34.201 1.00 37.29 ? 379 LEU B CD2 1 ATOM 8041 N N . ARG B 1 380 ? -8.352 4.382 34.420 1.00 32.63 ? 380 ARG B N 1 ATOM 8042 C CA . ARG B 1 380 ? -7.940 5.777 34.250 1.00 32.39 ? 380 ARG B CA 1 ATOM 8043 C C . ARG B 1 380 ? -7.373 6.027 32.861 1.00 30.41 ? 380 ARG B C 1 ATOM 8044 O O . ARG B 1 380 ? -6.181 6.282 32.706 1.00 28.93 ? 380 ARG B O 1 ATOM 8045 C CB . ARG B 1 380 ? -6.940 6.199 35.334 1.00 31.82 ? 380 ARG B CB 1 ATOM 8046 C CG . ARG B 1 380 ? -7.562 6.336 36.710 1.00 34.45 ? 380 ARG B CG 1 ATOM 8047 C CD . ARG B 1 380 ? -6.542 6.771 37.750 1.00 35.48 ? 380 ARG B CD 1 ATOM 8048 N NE . ARG B 1 380 ? -6.864 6.148 39.029 1.00 37.68 ? 380 ARG B NE 1 ATOM 8049 C CZ . ARG B 1 380 ? -6.083 6.138 40.102 1.00 38.10 ? 380 ARG B CZ 1 ATOM 8050 N NH1 . ARG B 1 380 ? -4.894 6.735 40.093 1.00 35.99 ? 380 ARG B NH1 1 ATOM 8051 N NH2 . ARG B 1 380 ? -6.504 5.509 41.195 1.00 38.48 ? 380 ARG B NH2 1 ATOM 8052 N N . ARG B 1 381 ? -8.247 5.934 31.860 1.00 31.23 ? 381 ARG B N 1 ATOM 8053 C CA . ARG B 1 381 ? -7.916 6.218 30.464 1.00 31.42 ? 381 ARG B CA 1 ATOM 8054 C C . ARG B 1 381 ? -9.181 6.744 29.819 1.00 30.79 ? 381 ARG B C 1 ATOM 8055 O O . ARG B 1 381 ? -10.259 6.643 30.410 1.00 30.21 ? 381 ARG B O 1 ATOM 8056 C CB . ARG B 1 381 ? -7.520 4.941 29.715 1.00 35.47 ? 381 ARG B CB 1 ATOM 8057 C CG . ARG B 1 381 ? -6.498 4.036 30.376 1.00 40.12 ? 381 ARG B CG 1 ATOM 8058 C CD . ARG B 1 381 ? -6.507 2.690 29.670 1.00 44.24 ? 381 ARG B CD 1 ATOM 8059 N NE . ARG B 1 381 ? -6.323 1.573 30.592 1.00 49.33 ? 381 ARG B NE 1 ATOM 8060 C CZ . ARG B 1 381 ? -5.143 1.103 30.986 1.00 51.93 ? 381 ARG B CZ 1 ATOM 8061 N NH1 . ARG B 1 381 ? -4.016 1.654 30.547 1.00 53.93 ? 381 ARG B NH1 1 ATOM 8062 N NH2 . ARG B 1 381 ? -5.090 0.080 31.830 1.00 55.60 ? 381 ARG B NH2 1 ATOM 8063 N N . GLY B 1 382 ? -9.069 7.273 28.599 1.00 28.34 ? 382 GLY B N 1 ATOM 8064 C CA . GLY B 1 382 ? -10.244 7.699 27.850 1.00 27.68 ? 382 GLY B CA 1 ATOM 8065 C C . GLY B 1 382 ? -11.069 6.488 27.444 1.00 27.71 ? 382 GLY B C 1 ATOM 8066 O O . GLY B 1 382 ? -10.547 5.373 27.431 1.00 27.75 ? 382 GLY B O 1 ATOM 8067 N N . ALA B 1 383 ? -12.349 6.692 27.118 1.00 27.55 ? 383 ALA B N 1 ATOM 8068 C CA . ALA B 1 383 ? -13.186 5.597 26.597 1.00 27.83 ? 383 ALA B CA 1 ATOM 8069 C C . ALA B 1 383 ? -12.468 4.889 25.436 1.00 28.20 ? 383 ALA B C 1 ATOM 8070 O O . ALA B 1 383 ? -12.554 3.668 25.297 1.00 28.52 ? 383 ALA B O 1 ATOM 8071 C CB . ALA B 1 383 ? -14.552 6.110 26.172 1.00 28.13 ? 383 ALA B CB 1 ATOM 8072 N N . ASN B 1 384 ? -11.782 5.682 24.603 1.00 27.68 ? 384 ASN B N 1 ATOM 8073 C CA . ASN B 1 384 ? -10.639 5.238 23.806 1.00 27.46 ? 384 ASN B CA 1 ATOM 8074 C C . ASN B 1 384 ? -9.663 6.433 23.709 1.00 26.82 ? 384 ASN B C 1 ATOM 8075 O O . ASN B 1 384 ? -10.023 7.536 24.117 1.00 27.25 ? 384 ASN B O 1 ATOM 8076 C CB . ASN B 1 384 ? -11.054 4.651 22.440 1.00 27.44 ? 384 ASN B CB 1 ATOM 8077 C CG . ASN B 1 384 ? -11.664 5.673 21.494 1.00 27.60 ? 384 ASN B CG 1 ATOM 8078 O OD1 . ASN B 1 384 ? -11.134 6.760 21.297 1.00 27.90 ? 384 ASN B OD1 1 ATOM 8079 N ND2 . ASN B 1 384 ? -12.771 5.302 20.869 1.00 28.18 ? 384 ASN B ND2 1 ATOM 8080 N N . PRO B 1 385 ? -8.425 6.224 23.214 1.00 26.00 ? 385 PRO B N 1 ATOM 8081 C CA . PRO B 1 385 ? -7.469 7.342 23.233 1.00 23.84 ? 385 PRO B CA 1 ATOM 8082 C C . PRO B 1 385 ? -7.915 8.594 22.471 1.00 22.41 ? 385 PRO B C 1 ATOM 8083 O O . PRO B 1 385 ? -7.530 9.703 22.852 1.00 21.48 ? 385 PRO B O 1 ATOM 8084 C CB . PRO B 1 385 ? -6.220 6.737 22.582 1.00 24.32 ? 385 PRO B CB 1 ATOM 8085 C CG . PRO B 1 385 ? -6.300 5.291 22.951 1.00 25.14 ? 385 PRO B CG 1 ATOM 8086 C CD . PRO B 1 385 ? -7.767 4.958 22.823 1.00 25.73 ? 385 PRO B CD 1 ATOM 8087 N N . GLY B 1 386 ? -8.707 8.407 21.414 1.00 21.80 ? 386 GLY B N 1 ATOM 8088 C CA . GLY B 1 386 ? -9.307 9.508 20.649 1.00 21.47 ? 386 GLY B CA 1 ATOM 8089 C C . GLY B 1 386 ? -10.280 10.375 21.442 1.00 21.96 ? 386 GLY B C 1 ATOM 8090 O O . GLY B 1 386 ? -10.411 11.569 21.158 1.00 21.27 ? 386 GLY B O 1 ATOM 8091 N N . PHE B 1 387 ? -10.980 9.781 22.417 1.00 21.71 ? 387 PHE B N 1 ATOM 8092 C CA . PHE B 1 387 ? -11.784 10.554 23.380 1.00 21.70 ? 387 PHE B CA 1 ATOM 8093 C C . PHE B 1 387 ? -10.916 11.516 24.183 1.00 20.57 ? 387 PHE B C 1 ATOM 8094 O O . PHE B 1 387 ? -11.279 12.662 24.365 1.00 20.53 ? 387 PHE B O 1 ATOM 8095 C CB . PHE B 1 387 ? -12.492 9.638 24.386 1.00 22.85 ? 387 PHE B CB 1 ATOM 8096 C CG . PHE B 1 387 ? -13.813 9.105 23.918 1.00 23.90 ? 387 PHE B CG 1 ATOM 8097 C CD1 . PHE B 1 387 ? -13.886 8.212 22.855 1.00 24.37 ? 387 PHE B CD1 1 ATOM 8098 C CD2 . PHE B 1 387 ? -14.995 9.465 24.581 1.00 24.62 ? 387 PHE B CD2 1 ATOM 8099 C CE1 . PHE B 1 387 ? -15.112 7.708 22.440 1.00 24.67 ? 387 PHE B CE1 1 ATOM 8100 C CE2 . PHE B 1 387 ? -16.220 8.962 24.173 1.00 25.09 ? 387 PHE B CE2 1 ATOM 8101 C CZ . PHE B 1 387 ? -16.279 8.082 23.107 1.00 25.42 ? 387 PHE B CZ 1 ATOM 8102 N N . HIS B 1 388 ? -9.779 11.026 24.672 1.00 19.77 ? 388 HIS B N 1 ATOM 8103 C CA . HIS B 1 388 ? -8.867 11.829 25.478 1.00 19.40 ? 388 HIS B CA 1 ATOM 8104 C C . HIS B 1 388 ? -8.356 13.028 24.686 1.00 18.57 ? 388 HIS B C 1 ATOM 8105 O O . HIS B 1 388 ? -8.283 14.138 25.213 1.00 18.74 ? 388 HIS B O 1 ATOM 8106 C CB . HIS B 1 388 ? -7.701 10.962 25.960 1.00 19.90 ? 388 HIS B CB 1 ATOM 8107 C CG . HIS B 1 388 ? -7.389 11.099 27.421 1.00 19.98 ? 388 HIS B CG 1 ATOM 8108 N ND1 . HIS B 1 388 ? -6.867 12.250 27.971 1.00 19.75 ? 388 HIS B ND1 1 ATOM 8109 C CD2 . HIS B 1 388 ? -7.502 10.214 28.443 1.00 20.41 ? 388 HIS B CD2 1 ATOM 8110 C CE1 . HIS B 1 388 ? -6.675 12.074 29.267 1.00 20.23 ? 388 HIS B CE1 1 ATOM 8111 N NE2 . HIS B 1 388 ? -7.052 10.847 29.581 1.00 20.40 ? 388 HIS B NE2 1 ATOM 8112 N N . GLU B 1 389 ? -8.030 12.798 23.416 1.00 18.12 ? 389 GLU B N 1 ATOM 8113 C CA . GLU B 1 389 ? -7.509 13.849 22.526 1.00 17.01 ? 389 GLU B CA 1 ATOM 8114 C C . GLU B 1 389 ? -8.584 14.848 22.115 1.00 17.51 ? 389 GLU B C 1 ATOM 8115 O O . GLU B 1 389 ? -8.272 15.982 21.745 1.00 18.17 ? 389 GLU B O 1 ATOM 8116 C CB . GLU B 1 389 ? -6.876 13.238 21.263 1.00 16.19 ? 389 GLU B CB 1 ATOM 8117 C CG . GLU B 1 389 ? -5.686 12.317 21.486 1.00 15.07 ? 389 GLU B CG 1 ATOM 8118 C CD . GLU B 1 389 ? -4.519 13.004 22.173 1.00 14.80 ? 389 GLU B CD 1 ATOM 8119 O OE1 . GLU B 1 389 ? -4.475 14.261 22.195 1.00 14.05 ? 389 GLU B OE1 1 ATOM 8120 O OE2 . GLU B 1 389 ? -3.665 12.279 22.708 1.00 14.55 ? 389 GLU B OE2 1 ATOM 8121 N N . ALA B 1 390 ? -9.852 14.440 22.163 1.00 17.52 ? 390 ALA B N 1 ATOM 8122 C CA . ALA B 1 390 ? -10.947 15.301 21.687 1.00 17.49 ? 390 ALA B CA 1 ATOM 8123 C C . ALA B 1 390 ? -11.423 16.370 22.679 1.00 17.83 ? 390 ALA B C 1 ATOM 8124 O O . ALA B 1 390 ? -11.951 17.392 22.256 1.00 18.46 ? 390 ALA B O 1 ATOM 8125 C CB . ALA B 1 390 ? -12.137 14.452 21.235 1.00 17.45 ? 390 ALA B CB 1 ATOM 8126 N N . ILE B 1 391 ? -11.280 16.117 23.981 1.00 17.66 ? 391 ILE B N 1 ATOM 8127 C CA . ILE B 1 391 ? -11.958 16.929 25.021 1.00 17.98 ? 391 ILE B CA 1 ATOM 8128 C C . ILE B 1 391 ? -11.630 18.421 24.934 1.00 18.10 ? 391 ILE B C 1 ATOM 8129 O O . ILE B 1 391 ? -12.518 19.257 24.804 1.00 17.83 ? 391 ILE B O 1 ATOM 8130 C CB . ILE B 1 391 ? -11.659 16.426 26.465 1.00 17.81 ? 391 ILE B CB 1 ATOM 8131 C CG1 . ILE B 1 391 ? -11.921 14.925 26.615 1.00 18.36 ? 391 ILE B CG1 1 ATOM 8132 C CG2 . ILE B 1 391 ? -12.437 17.242 27.508 1.00 17.76 ? 391 ILE B CG2 1 ATOM 8133 C CD1 . ILE B 1 391 ? -13.279 14.464 26.089 1.00 18.90 ? 391 ILE B CD1 1 ATOM 8134 N N . GLY B 1 392 ? -10.347 18.754 25.014 1.00 18.21 ? 392 GLY B N 1 ATOM 8135 C CA . GLY B 1 392 ? -9.942 20.148 24.958 1.00 18.70 ? 392 GLY B CA 1 ATOM 8136 C C . GLY B 1 392 ? -10.244 20.791 23.607 1.00 19.52 ? 392 GLY B C 1 ATOM 8137 O O . GLY B 1 392 ? -10.477 22.006 23.541 1.00 19.86 ? 392 GLY B O 1 ATOM 8138 N N . ASP B 1 393 ? -10.221 19.991 22.535 1.00 19.48 ? 393 ASP B N 1 ATOM 8139 C CA . ASP B 1 393 ? -10.504 20.493 21.188 1.00 19.94 ? 393 ASP B CA 1 ATOM 8140 C C . ASP B 1 393 ? -11.961 20.946 21.079 1.00 20.40 ? 393 ASP B C 1 ATOM 8141 O O . ASP B 1 393 ? -12.263 21.924 20.419 1.00 19.54 ? 393 ASP B O 1 ATOM 8142 C CB . ASP B 1 393 ? -10.206 19.423 20.118 1.00 20.14 ? 393 ASP B CB 1 ATOM 8143 C CG . ASP B 1 393 ? -8.707 19.304 19.772 1.00 20.47 ? 393 ASP B CG 1 ATOM 8144 O OD1 . ASP B 1 393 ? -7.845 19.500 20.654 1.00 20.93 ? 393 ASP B OD1 1 ATOM 8145 O OD2 . ASP B 1 393 ? -8.391 18.951 18.611 1.00 21.40 ? 393 ASP B OD2 1 ATOM 8146 N N . VAL B 1 394 ? -12.857 20.238 21.760 1.00 21.17 ? 394 VAL B N 1 ATOM 8147 C CA . VAL B 1 394 ? -14.271 20.595 21.765 1.00 22.79 ? 394 VAL B CA 1 ATOM 8148 C C . VAL B 1 394 ? -14.439 22.009 22.329 1.00 23.13 ? 394 VAL B C 1 ATOM 8149 O O . VAL B 1 394 ? -15.068 22.854 21.704 1.00 23.63 ? 394 VAL B O 1 ATOM 8150 C CB . VAL B 1 394 ? -15.109 19.550 22.533 1.00 23.48 ? 394 VAL B CB 1 ATOM 8151 C CG1 . VAL B 1 394 ? -16.574 19.958 22.598 1.00 25.16 ? 394 VAL B CG1 1 ATOM 8152 C CG2 . VAL B 1 394 ? -14.996 18.209 21.837 1.00 24.29 ? 394 VAL B CG2 1 ATOM 8153 N N . LEU B 1 395 ? -13.850 22.273 23.492 1.00 22.88 ? 395 LEU B N 1 ATOM 8154 C CA . LEU B 1 395 ? -13.913 23.615 24.079 1.00 22.63 ? 395 LEU B CA 1 ATOM 8155 C C . LEU B 1 395 ? -13.256 24.663 23.178 1.00 22.17 ? 395 LEU B C 1 ATOM 8156 O O . LEU B 1 395 ? -13.792 25.770 23.015 1.00 22.87 ? 395 LEU B O 1 ATOM 8157 C CB . LEU B 1 395 ? -13.315 23.627 25.493 1.00 22.57 ? 395 LEU B CB 1 ATOM 8158 C CG . LEU B 1 395 ? -14.182 23.113 26.662 1.00 23.77 ? 395 LEU B CG 1 ATOM 8159 C CD1 . LEU B 1 395 ? -14.386 21.611 26.620 1.00 23.48 ? 395 LEU B CD1 1 ATOM 8160 C CD2 . LEU B 1 395 ? -13.526 23.489 27.984 1.00 24.22 ? 395 LEU B CD2 1 ATOM 8161 N N . ALA B 1 396 ? -12.114 24.317 22.580 1.00 21.26 ? 396 ALA B N 1 ATOM 8162 C CA . ALA B 1 396 ? -11.437 25.242 21.665 1.00 21.31 ? 396 ALA B CA 1 ATOM 8163 C C . ALA B 1 396 ? -12.324 25.628 20.479 1.00 21.40 ? 396 ALA B C 1 ATOM 8164 O O . ALA B 1 396 ? -12.225 26.744 19.976 1.00 21.30 ? 396 ALA B O 1 ATOM 8165 C CB . ALA B 1 396 ? -10.114 24.685 21.191 1.00 20.33 ? 396 ALA B CB 1 ATOM 8166 N N . LEU B 1 397 ? -13.191 24.715 20.042 1.00 21.84 ? 397 LEU B N 1 ATOM 8167 C CA . LEU B 1 397 ? -14.176 25.042 19.010 1.00 22.72 ? 397 LEU B CA 1 ATOM 8168 C C . LEU B 1 397 ? -15.077 26.220 19.414 1.00 23.16 ? 397 LEU B C 1 ATOM 8169 O O . LEU B 1 397 ? -15.276 27.156 18.633 1.00 24.01 ? 397 LEU B O 1 ATOM 8170 C CB . LEU B 1 397 ? -15.003 23.808 18.630 1.00 23.22 ? 397 LEU B CB 1 ATOM 8171 C CG . LEU B 1 397 ? -14.230 22.833 17.734 1.00 23.39 ? 397 LEU B CG 1 ATOM 8172 C CD1 . LEU B 1 397 ? -14.961 21.515 17.560 1.00 23.71 ? 397 LEU B CD1 1 ATOM 8173 C CD2 . LEU B 1 397 ? -13.947 23.472 16.379 1.00 24.36 ? 397 LEU B CD2 1 ATOM 8174 N N . SER B 1 398 ? -15.596 26.177 20.638 1.00 22.78 ? 398 SER B N 1 ATOM 8175 C CA . SER B 1 398 ? -16.381 27.283 21.184 1.00 23.20 ? 398 SER B CA 1 ATOM 8176 C C . SER B 1 398 ? -15.556 28.559 21.328 1.00 22.78 ? 398 SER B C 1 ATOM 8177 O O . SER B 1 398 ? -16.031 29.649 20.999 1.00 23.55 ? 398 SER B O 1 ATOM 8178 C CB . SER B 1 398 ? -17.001 26.893 22.534 1.00 22.91 ? 398 SER B CB 1 ATOM 8179 O OG . SER B 1 398 ? -18.186 26.119 22.347 1.00 23.94 ? 398 SER B OG 1 ATOM 8180 N N . VAL B 1 399 ? -14.327 28.422 21.824 1.00 22.44 ? 399 VAL B N 1 ATOM 8181 C CA . VAL B 1 399 ? -13.456 29.584 22.102 1.00 22.27 ? 399 VAL B CA 1 ATOM 8182 C C . VAL B 1 399 ? -13.105 30.391 20.835 1.00 23.02 ? 399 VAL B C 1 ATOM 8183 O O . VAL B 1 399 ? -13.088 31.626 20.856 1.00 22.70 ? 399 VAL B O 1 ATOM 8184 C CB . VAL B 1 399 ? -12.175 29.154 22.885 1.00 21.89 ? 399 VAL B CB 1 ATOM 8185 C CG1 . VAL B 1 399 ? -11.182 30.299 23.018 1.00 21.74 ? 399 VAL B CG1 1 ATOM 8186 C CG2 . VAL B 1 399 ? -12.540 28.630 24.268 1.00 21.08 ? 399 VAL B CG2 1 ATOM 8187 N N . SER B 1 400 ? -12.846 29.679 19.736 1.00 23.61 ? 400 SER B N 1 ATOM 8188 C CA . SER B 1 400 ? -12.400 30.271 18.475 1.00 24.07 ? 400 SER B CA 1 ATOM 8189 C C . SER B 1 400 ? -13.490 31.066 17.712 1.00 25.09 ? 400 SER B C 1 ATOM 8190 O O . SER B 1 400 ? -13.166 31.865 16.821 1.00 24.97 ? 400 SER B O 1 ATOM 8191 C CB . SER B 1 400 ? -11.821 29.170 17.568 1.00 25.26 ? 400 SER B CB 1 ATOM 8192 O OG . SER B 1 400 ? -12.852 28.287 17.135 1.00 26.50 ? 400 SER B OG 1 ATOM 8193 N N . THR B 1 401 ? -14.765 30.850 18.047 1.00 24.30 ? 401 THR B N 1 ATOM 8194 C CA . THR B 1 401 ? -15.857 31.619 17.426 1.00 25.46 ? 401 THR B CA 1 ATOM 8195 C C . THR B 1 401 ? -15.698 33.117 17.672 1.00 26.36 ? 401 THR B C 1 ATOM 8196 O O . THR B 1 401 ? -15.315 33.521 18.781 1.00 25.85 ? 401 THR B O 1 ATOM 8197 C CB . THR B 1 401 ? -17.246 31.235 17.965 1.00 25.26 ? 401 THR B CB 1 ATOM 8198 O OG1 . THR B 1 401 ? -17.299 31.525 19.365 1.00 24.70 ? 401 THR B OG1 1 ATOM 8199 C CG2 . THR B 1 401 ? -17.545 29.768 17.708 1.00 24.70 ? 401 THR B CG2 1 ATOM 8200 N N . PRO B 1 402 ? -15.992 33.941 16.644 1.00 27.74 ? 402 PRO B N 1 ATOM 8201 C CA . PRO B 1 402 ? -15.838 35.389 16.773 1.00 28.56 ? 402 PRO B CA 1 ATOM 8202 C C . PRO B 1 402 ? -16.641 35.983 17.935 1.00 29.11 ? 402 PRO B C 1 ATOM 8203 O O . PRO B 1 402 ? -16.192 36.958 18.544 1.00 27.66 ? 402 PRO B O 1 ATOM 8204 C CB . PRO B 1 402 ? -16.333 35.919 15.426 1.00 29.43 ? 402 PRO B CB 1 ATOM 8205 C CG . PRO B 1 402 ? -16.072 34.790 14.464 1.00 29.68 ? 402 PRO B CG 1 ATOM 8206 C CD . PRO B 1 402 ? -16.314 33.538 15.258 1.00 28.60 ? 402 PRO B CD 1 ATOM 8207 N N . GLU B 1 403 ? -17.797 35.393 18.244 1.00 29.94 ? 403 GLU B N 1 ATOM 8208 C CA . GLU B 1 403 ? -18.611 35.862 19.361 1.00 31.97 ? 403 GLU B CA 1 ATOM 8209 C C . GLU B 1 403 ? -17.931 35.580 20.696 1.00 30.15 ? 403 GLU B C 1 ATOM 8210 O O . GLU B 1 403 ? -17.969 36.422 21.602 1.00 29.90 ? 403 GLU B O 1 ATOM 8211 C CB . GLU B 1 403 ? -20.010 35.245 19.343 1.00 35.62 ? 403 GLU B CB 1 ATOM 8212 C CG . GLU B 1 403 ? -21.052 36.070 20.096 1.00 40.67 ? 403 GLU B CG 1 ATOM 8213 C CD . GLU B 1 403 ? -21.657 37.203 19.261 1.00 44.22 ? 403 GLU B CD 1 ATOM 8214 O OE1 . GLU B 1 403 ? -21.016 38.274 19.126 1.00 45.58 ? 403 GLU B OE1 1 ATOM 8215 O OE2 . GLU B 1 403 ? -22.785 37.024 18.740 1.00 46.25 ? 403 GLU B OE2 1 ATOM 8216 N N . HIS B 1 404 ? -17.315 34.405 20.826 1.00 27.89 ? 404 HIS B N 1 ATOM 8217 C CA . HIS B 1 404 ? -16.573 34.122 22.049 1.00 26.39 ? 404 HIS B CA 1 ATOM 8218 C C . HIS B 1 404 ? -15.320 34.971 22.175 1.00 25.68 ? 404 HIS B C 1 ATOM 8219 O O . HIS B 1 404 ? -15.034 35.470 23.261 1.00 24.22 ? 404 HIS B O 1 ATOM 8220 C CB . HIS B 1 404 ? -16.218 32.647 22.235 1.00 24.94 ? 404 HIS B CB 1 ATOM 8221 C CG . HIS B 1 404 ? -15.740 32.342 23.619 1.00 24.44 ? 404 HIS B CG 1 ATOM 8222 N ND1 . HIS B 1 404 ? -16.603 32.103 24.665 1.00 24.33 ? 404 HIS B ND1 1 ATOM 8223 C CD2 . HIS B 1 404 ? -14.492 32.311 24.145 1.00 23.47 ? 404 HIS B CD2 1 ATOM 8224 C CE1 . HIS B 1 404 ? -15.908 31.912 25.771 1.00 24.33 ? 404 HIS B CE1 1 ATOM 8225 N NE2 . HIS B 1 404 ? -14.625 32.031 25.483 1.00 23.79 ? 404 HIS B NE2 1 ATOM 8226 N N . LEU B 1 405 ? -14.582 35.130 21.075 1.00 25.56 ? 405 LEU B N 1 ATOM 8227 C CA . LEU B 1 405 ? -13.376 35.963 21.074 1.00 26.06 ? 405 LEU B CA 1 ATOM 8228 C C . LEU B 1 405 ? -13.719 37.392 21.490 1.00 27.05 ? 405 LEU B C 1 ATOM 8229 O O . LEU B 1 405 ? -12.947 38.047 22.201 1.00 26.19 ? 405 LEU B O 1 ATOM 8230 C CB . LEU B 1 405 ? -12.691 35.952 19.703 1.00 25.78 ? 405 LEU B CB 1 ATOM 8231 C CG . LEU B 1 405 ? -12.084 34.622 19.230 1.00 25.44 ? 405 LEU B CG 1 ATOM 8232 C CD1 . LEU B 1 405 ? -11.628 34.712 17.778 1.00 25.81 ? 405 LEU B CD1 1 ATOM 8233 C CD2 . LEU B 1 405 ? -10.929 34.192 20.128 1.00 25.29 ? 405 LEU B CD2 1 ATOM 8234 N N . HIS B 1 406 ? -14.882 37.866 21.047 1.00 28.70 ? 406 HIS B N 1 ATOM 8235 C CA . HIS B 1 406 ? -15.390 39.167 21.491 1.00 30.08 ? 406 HIS B CA 1 ATOM 8236 C C . HIS B 1 406 ? -15.664 39.195 23.007 1.00 29.77 ? 406 HIS B C 1 ATOM 8237 O O . HIS B 1 406 ? -15.281 40.145 23.688 1.00 29.26 ? 406 HIS B O 1 ATOM 8238 C CB . HIS B 1 406 ? -16.631 39.590 20.696 1.00 32.30 ? 406 HIS B CB 1 ATOM 8239 C CG . HIS B 1 406 ? -17.238 40.874 21.182 1.00 34.45 ? 406 HIS B CG 1 ATOM 8240 N ND1 . HIS B 1 406 ? -16.672 42.107 20.931 1.00 35.36 ? 406 HIS B ND1 1 ATOM 8241 C CD2 . HIS B 1 406 ? -18.339 41.113 21.933 1.00 36.16 ? 406 HIS B CD2 1 ATOM 8242 C CE1 . HIS B 1 406 ? -17.407 43.051 21.498 1.00 36.53 ? 406 HIS B CE1 1 ATOM 8243 N NE2 . HIS B 1 406 ? -18.424 42.475 22.111 1.00 36.20 ? 406 HIS B NE2 1 ATOM 8244 N N . LYS B 1 407 ? -16.303 38.148 23.525 1.00 29.97 ? 407 LYS B N 1 ATOM 8245 C CA . LYS B 1 407 ? -16.574 38.045 24.961 1.00 30.60 ? 407 LYS B CA 1 ATOM 8246 C C . LYS B 1 407 ? -15.289 38.160 25.785 1.00 29.92 ? 407 LYS B C 1 ATOM 8247 O O . LYS B 1 407 ? -15.283 38.778 26.844 1.00 30.15 ? 407 LYS B O 1 ATOM 8248 C CB . LYS B 1 407 ? -17.305 36.743 25.301 1.00 31.70 ? 407 LYS B CB 1 ATOM 8249 C CG . LYS B 1 407 ? -18.795 36.776 25.030 1.00 34.58 ? 407 LYS B CG 1 ATOM 8250 C CD . LYS B 1 407 ? -19.395 35.379 25.015 1.00 36.43 ? 407 LYS B CD 1 ATOM 8251 C CE . LYS B 1 407 ? -20.854 35.418 24.582 1.00 39.17 ? 407 LYS B CE 1 ATOM 8252 N NZ . LYS B 1 407 ? -21.426 34.043 24.474 1.00 40.20 ? 407 LYS B NZ 1 ATOM 8253 N N . ILE B 1 408 ? -14.197 37.582 25.299 1.00 28.13 ? 408 ILE B N 1 ATOM 8254 C CA . ILE B 1 408 ? -12.950 37.614 26.073 1.00 27.46 ? 408 ILE B CA 1 ATOM 8255 C C . ILE B 1 408 ? -12.005 38.738 25.634 1.00 27.48 ? 408 ILE B C 1 ATOM 8256 O O . ILE B 1 408 ? -10.825 38.740 25.978 1.00 28.03 ? 408 ILE B O 1 ATOM 8257 C CB . ILE B 1 408 ? -12.253 36.228 26.130 1.00 26.53 ? 408 ILE B CB 1 ATOM 8258 C CG1 . ILE B 1 408 ? -11.840 35.761 24.726 1.00 25.98 ? 408 ILE B CG1 1 ATOM 8259 C CG2 . ILE B 1 408 ? -13.181 35.215 26.806 1.00 26.03 ? 408 ILE B CG2 1 ATOM 8260 C CD1 . ILE B 1 408 ? -10.868 34.604 24.725 1.00 26.19 ? 408 ILE B CD1 1 ATOM 8261 N N . GLY B 1 409 ? -12.551 39.697 24.890 1.00 27.81 ? 409 GLY B N 1 ATOM 8262 C CA . GLY B 1 409 ? -11.856 40.938 24.562 1.00 28.83 ? 409 GLY B CA 1 ATOM 8263 C C . GLY B 1 409 ? -10.760 40.826 23.520 1.00 29.19 ? 409 GLY B C 1 ATOM 8264 O O . GLY B 1 409 ? -9.887 41.687 23.452 1.00 30.04 ? 409 GLY B O 1 ATOM 8265 N N . LEU B 1 410 ? -10.808 39.782 22.700 1.00 29.11 ? 410 LEU B N 1 ATOM 8266 C CA . LEU B 1 410 ? -9.777 39.563 21.683 1.00 29.77 ? 410 LEU B CA 1 ATOM 8267 C C . LEU B 1 410 ? -10.185 40.040 20.295 1.00 31.41 ? 410 LEU B C 1 ATOM 8268 O O . LEU B 1 410 ? -9.374 40.038 19.371 1.00 32.50 ? 410 LEU B O 1 ATOM 8269 C CB . LEU B 1 410 ? -9.355 38.087 21.641 1.00 27.94 ? 410 LEU B CB 1 ATOM 8270 C CG . LEU B 1 410 ? -8.548 37.622 22.859 1.00 27.25 ? 410 LEU B CG 1 ATOM 8271 C CD1 . LEU B 1 410 ? -8.241 36.137 22.757 1.00 26.14 ? 410 LEU B CD1 1 ATOM 8272 C CD2 . LEU B 1 410 ? -7.266 38.442 23.025 1.00 26.52 ? 410 LEU B CD2 1 ATOM 8273 N N . LEU B 1 411 ? -11.434 40.459 20.149 1.00 33.32 ? 411 LEU B N 1 ATOM 8274 C CA . LEU B 1 411 ? -11.951 40.832 18.841 1.00 36.40 ? 411 LEU B CA 1 ATOM 8275 C C . LEU B 1 411 ? -13.084 41.830 18.972 1.00 38.73 ? 411 LEU B C 1 ATOM 8276 O O . LEU B 1 411 ? -13.969 41.648 19.802 1.00 38.29 ? 411 LEU B O 1 ATOM 8277 C CB . LEU B 1 411 ? -12.459 39.576 18.116 1.00 36.13 ? 411 LEU B CB 1 ATOM 8278 C CG . LEU B 1 411 ? -12.659 39.586 16.596 1.00 36.96 ? 411 LEU B CG 1 ATOM 8279 C CD1 . LEU B 1 411 ? -11.320 39.652 15.862 1.00 36.55 ? 411 LEU B CD1 1 ATOM 8280 C CD2 . LEU B 1 411 ? -13.445 38.350 16.169 1.00 36.03 ? 411 LEU B CD2 1 ATOM 8281 N N . ASP B 1 412 ? -13.057 42.878 18.149 1.00 42.41 ? 412 ASP B N 1 ATOM 8282 C CA . ASP B 1 412 ? -14.212 43.765 18.009 1.00 47.52 ? 412 ASP B CA 1 ATOM 8283 C C . ASP B 1 412 ? -15.380 42.938 17.482 1.00 49.98 ? 412 ASP B C 1 ATOM 8284 O O . ASP B 1 412 ? -15.177 42.015 16.679 1.00 49.42 ? 412 ASP B O 1 ATOM 8285 C CB . ASP B 1 412 ? -13.908 44.910 17.039 1.00 50.71 ? 412 ASP B CB 1 ATOM 8286 C CG . ASP B 1 412 ? -13.137 46.054 17.692 1.00 52.80 ? 412 ASP B CG 1 ATOM 8287 O OD1 . ASP B 1 412 ? -12.716 45.928 18.864 1.00 53.91 ? 412 ASP B OD1 1 ATOM 8288 O OD2 . ASP B 1 412 ? -12.952 47.095 17.022 1.00 55.96 ? 412 ASP B OD2 1 ATOM 8289 N N . ARG B 1 413 ? -16.595 43.244 17.935 1.00 51.19 ? 413 ARG B N 1 ATOM 8290 C CA . ARG B 1 413 ? -17.766 42.478 17.507 1.00 53.03 ? 413 ARG B CA 1 ATOM 8291 C C . ARG B 1 413 ? -17.859 42.483 15.987 1.00 52.40 ? 413 ARG B C 1 ATOM 8292 O O . ARG B 1 413 ? -17.793 43.534 15.356 1.00 52.44 ? 413 ARG B O 1 ATOM 8293 C CB . ARG B 1 413 ? -19.050 43.029 18.124 1.00 57.54 ? 413 ARG B CB 1 ATOM 8294 C CG . ARG B 1 413 ? -20.147 41.986 18.250 1.00 62.35 ? 413 ARG B CG 1 ATOM 8295 C CD . ARG B 1 413 ? -21.497 42.633 18.500 1.00 67.34 ? 413 ARG B CD 1 ATOM 8296 N NE . ARG B 1 413 ? -22.486 41.658 18.955 1.00 71.20 ? 413 ARG B NE 1 ATOM 8297 C CZ . ARG B 1 413 ? -22.903 41.537 20.215 1.00 73.53 ? 413 ARG B CZ 1 ATOM 8298 N NH1 . ARG B 1 413 ? -22.427 42.333 21.167 1.00 72.70 ? 413 ARG B NH1 1 ATOM 8299 N NH2 . ARG B 1 413 ? -23.808 40.618 20.523 1.00 76.22 ? 413 ARG B NH2 1 ATOM 8300 N N . VAL B 1 414 ? -17.979 41.300 15.403 1.00 52.35 ? 414 VAL B N 1 ATOM 8301 C CA . VAL B 1 414 ? -17.986 41.177 13.953 1.00 53.64 ? 414 VAL B CA 1 ATOM 8302 C C . VAL B 1 414 ? -19.422 41.283 13.445 1.00 55.22 ? 414 VAL B C 1 ATOM 8303 O O . VAL B 1 414 ? -20.356 40.812 14.107 1.00 55.45 ? 414 VAL B O 1 ATOM 8304 C CB . VAL B 1 414 ? -17.284 39.870 13.489 1.00 53.91 ? 414 VAL B CB 1 ATOM 8305 C CG1 . VAL B 1 414 ? -18.230 38.673 13.535 1.00 53.19 ? 414 VAL B CG1 1 ATOM 8306 C CG2 . VAL B 1 414 ? -16.687 40.042 12.098 1.00 54.19 ? 414 VAL B CG2 1 ATOM 8307 N N . THR B 1 415 ? -19.609 41.926 12.294 1.00 56.42 ? 415 THR B N 1 ATOM 8308 C CA . THR B 1 415 ? -20.942 41.972 11.695 1.00 57.11 ? 415 THR B CA 1 ATOM 8309 C C . THR B 1 415 ? -21.215 40.616 11.062 1.00 54.28 ? 415 THR B C 1 ATOM 8310 O O . THR B 1 415 ? -20.362 40.041 10.384 1.00 54.55 ? 415 THR B O 1 ATOM 8311 C CB . THR B 1 415 ? -21.159 43.134 10.688 1.00 59.32 ? 415 THR B CB 1 ATOM 8312 O OG1 . THR B 1 415 ? -20.398 42.911 9.496 1.00 62.06 ? 415 THR B OG1 1 ATOM 8313 C CG2 . THR B 1 415 ? -20.785 44.488 11.306 1.00 59.78 ? 415 THR B CG2 1 ATOM 8314 N N . ASN B 1 416 ? -22.454 40.055 11.304 1.00 53.01 ? 416 ASN B N 1 ATOM 8315 C CA . ASN B 1 416 ? -22.829 38.699 10.963 1.00 50.81 ? 416 ASN B CA 1 ATOM 8316 C C . ASN B 1 416 ? -23.245 38.567 9.489 1.00 51.73 ? 416 ASN B C 1 ATOM 8317 O O . ASN B 1 416 ? -24.396 38.246 9.180 1.00 53.32 ? 416 ASN B O 1 ATOM 8318 C CB . ASN B 1 416 ? -23.940 38.258 11.921 1.00 50.83 ? 416 ASN B CB 1 ATOM 8319 C CG . ASN B 1 416 ? -24.308 36.801 11.774 1.00 50.93 ? 416 ASN B CG 1 ATOM 8320 O OD1 . ASN B 1 416 ? -23.452 35.938 11.570 1.00 49.87 ? 416 ASN B OD1 1 ATOM 8321 N ND2 . ASN B 1 416 ? -25.601 36.519 11.885 1.00 52.37 ? 416 ASN B ND2 1 ATOM 8322 N N . ASP B 1 417 ? -22.268 38.821 8.594 1.00 49.86 ? 417 ASP B N 1 ATOM 8323 C CA . ASP B 1 417 ? -22.520 38.701 7.155 1.00 49.36 ? 417 ASP B CA 1 ATOM 8324 C C . ASP B 1 417 ? -21.828 37.485 6.518 1.00 47.81 ? 417 ASP B C 1 ATOM 8325 O O . ASP B 1 417 ? -21.005 36.823 7.152 1.00 46.09 ? 417 ASP B O 1 ATOM 8326 C CB . ASP B 1 417 ? -22.144 40.000 6.418 1.00 51.80 ? 417 ASP B CB 1 ATOM 8327 C CG . ASP B 1 417 ? -20.683 40.407 6.620 1.00 52.80 ? 417 ASP B CG 1 ATOM 8328 O OD1 . ASP B 1 417 ? -19.804 39.532 6.763 1.00 52.16 ? 417 ASP B OD1 1 ATOM 8329 O OD2 . ASP B 1 417 ? -20.408 41.624 6.622 1.00 53.83 ? 417 ASP B OD2 1 ATOM 8330 N N . THR B 1 418 ? -22.170 37.208 5.261 1.00 47.13 ? 418 THR B N 1 ATOM 8331 C CA . THR B 1 418 ? -21.641 36.054 4.532 1.00 45.20 ? 418 THR B CA 1 ATOM 8332 C C . THR B 1 418 ? -20.109 36.058 4.469 1.00 43.07 ? 418 THR B C 1 ATOM 8333 O O . THR B 1 418 ? -19.489 35.021 4.682 1.00 41.53 ? 418 THR B O 1 ATOM 8334 C CB . THR B 1 418 ? -22.260 35.955 3.117 1.00 47.56 ? 418 THR B CB 1 ATOM 8335 O OG1 . THR B 1 418 ? -23.689 36.016 3.220 1.00 49.60 ? 418 THR B OG1 1 ATOM 8336 C CG2 . THR B 1 418 ? -21.860 34.642 2.407 1.00 47.61 ? 418 THR B CG2 1 ATOM 8337 N N . GLU B 1 419 ? -19.515 37.223 4.204 1.00 41.98 ? 419 GLU B N 1 ATOM 8338 C CA . GLU B 1 419 ? -18.057 37.365 4.092 1.00 42.20 ? 419 GLU B CA 1 ATOM 8339 C C . GLU B 1 419 ? -17.318 36.956 5.369 1.00 41.17 ? 419 GLU B C 1 ATOM 8340 O O . GLU B 1 419 ? -16.368 36.169 5.310 1.00 39.72 ? 419 GLU B O 1 ATOM 8341 C CB . GLU B 1 419 ? -17.658 38.793 3.694 1.00 44.31 ? 419 GLU B CB 1 ATOM 8342 C CG . GLU B 1 419 ? -17.901 39.148 2.231 1.00 47.61 ? 419 GLU B CG 1 ATOM 8343 C CD . GLU B 1 419 ? -19.339 39.528 1.938 1.00 50.20 ? 419 GLU B CD 1 ATOM 8344 O OE1 . GLU B 1 419 ? -20.090 39.864 2.889 1.00 50.39 ? 419 GLU B OE1 1 ATOM 8345 O OE2 . GLU B 1 419 ? -19.716 39.494 0.748 1.00 53.39 ? 419 GLU B OE2 1 ATOM 8346 N N . SER B 1 420 ? -17.763 37.492 6.508 1.00 40.04 ? 420 SER B N 1 ATOM 8347 C CA . SER B 1 420 ? -17.205 37.154 7.813 1.00 40.06 ? 420 SER B CA 1 ATOM 8348 C C . SER B 1 420 ? -17.321 35.669 8.114 1.00 38.81 ? 420 SER B C 1 ATOM 8349 O O . SER B 1 420 ? -16.385 35.064 8.638 1.00 37.95 ? 420 SER B O 1 ATOM 8350 C CB . SER B 1 420 ? -17.884 37.967 8.922 1.00 41.95 ? 420 SER B CB 1 ATOM 8351 O OG . SER B 1 420 ? -17.447 39.317 8.886 1.00 43.78 ? 420 SER B OG 1 ATOM 8352 N N . ASP B 1 421 ? -18.466 35.089 7.766 1.00 37.99 ? 421 ASP B N 1 ATOM 8353 C CA . ASP B 1 421 ? -18.702 33.666 7.967 1.00 37.92 ? 421 ASP B CA 1 ATOM 8354 C C . ASP B 1 421 ? -17.710 32.815 7.159 1.00 36.70 ? 421 ASP B C 1 ATOM 8355 O O . ASP B 1 421 ? -17.075 31.899 7.696 1.00 34.99 ? 421 ASP B O 1 ATOM 8356 C CB . ASP B 1 421 ? -20.137 33.333 7.572 1.00 39.43 ? 421 ASP B CB 1 ATOM 8357 C CG . ASP B 1 421 ? -20.828 32.422 8.568 1.00 41.25 ? 421 ASP B CG 1 ATOM 8358 O OD1 . ASP B 1 421 ? -20.397 32.360 9.741 1.00 42.39 ? 421 ASP B OD1 1 ATOM 8359 O OD2 . ASP B 1 421 ? -21.819 31.770 8.177 1.00 42.79 ? 421 ASP B OD2 1 ATOM 8360 N N . ILE B 1 422 ? -17.571 33.143 5.874 1.00 36.08 ? 422 ILE B N 1 ATOM 8361 C CA . ILE B 1 422 ? -16.651 32.449 4.977 1.00 34.99 ? 422 ILE B CA 1 ATOM 8362 C C . ILE B 1 422 ? -15.219 32.591 5.473 1.00 32.67 ? 422 ILE B C 1 ATOM 8363 O O . ILE B 1 422 ? -14.464 31.613 5.479 1.00 31.76 ? 422 ILE B O 1 ATOM 8364 C CB . ILE B 1 422 ? -16.778 32.955 3.517 1.00 36.19 ? 422 ILE B CB 1 ATOM 8365 C CG1 . ILE B 1 422 ? -18.107 32.497 2.885 1.00 37.30 ? 422 ILE B CG1 1 ATOM 8366 C CG2 . ILE B 1 422 ? -15.572 32.542 2.674 1.00 36.14 ? 422 ILE B CG2 1 ATOM 8367 C CD1 . ILE B 1 422 ? -18.381 31.005 2.953 1.00 38.28 ? 422 ILE B CD1 1 ATOM 8368 N N . ASN B 1 423 ? -14.858 33.808 5.880 1.00 30.84 ? 423 ASN B N 1 ATOM 8369 C CA . ASN B 1 423 ? -13.578 34.069 6.511 1.00 30.00 ? 423 ASN B CA 1 ATOM 8370 C C . ASN B 1 423 ? -13.299 33.118 7.687 1.00 29.63 ? 423 ASN B C 1 ATOM 8371 O O . ASN B 1 423 ? -12.212 32.533 7.763 1.00 28.41 ? 423 ASN B O 1 ATOM 8372 C CB . ASN B 1 423 ? -13.482 35.532 6.973 1.00 29.72 ? 423 ASN B CB 1 ATOM 8373 C CG . ASN B 1 423 ? -12.800 36.443 5.959 1.00 29.50 ? 423 ASN B CG 1 ATOM 8374 O OD1 . ASN B 1 423 ? -12.527 36.056 4.820 1.00 28.96 ? 423 ASN B OD1 1 ATOM 8375 N ND2 . ASN B 1 423 ? -12.502 37.672 6.388 1.00 29.52 ? 423 ASN B ND2 1 ATOM 8376 N N . TYR B 1 424 ? -14.277 32.967 8.585 1.00 28.93 ? 424 TYR B N 1 ATOM 8377 C CA . TYR B 1 424 ? -14.118 32.127 9.784 1.00 28.43 ? 424 TYR B CA 1 ATOM 8378 C C . TYR B 1 424 ? -13.981 30.644 9.437 1.00 27.86 ? 424 TYR B C 1 ATOM 8379 O O . TYR B 1 424 ? -13.063 29.955 9.913 1.00 25.61 ? 424 TYR B O 1 ATOM 8380 C CB . TYR B 1 424 ? -15.284 32.326 10.763 1.00 28.58 ? 424 TYR B CB 1 ATOM 8381 C CG . TYR B 1 424 ? -15.208 31.411 11.971 1.00 28.68 ? 424 TYR B CG 1 ATOM 8382 C CD1 . TYR B 1 424 ? -14.155 31.522 12.880 1.00 27.72 ? 424 TYR B CD1 1 ATOM 8383 C CD2 . TYR B 1 424 ? -16.177 30.432 12.201 1.00 28.32 ? 424 TYR B CD2 1 ATOM 8384 C CE1 . TYR B 1 424 ? -14.060 30.681 13.973 1.00 27.64 ? 424 TYR B CE1 1 ATOM 8385 C CE2 . TYR B 1 424 ? -16.091 29.589 13.299 1.00 28.02 ? 424 TYR B CE2 1 ATOM 8386 C CZ . TYR B 1 424 ? -15.026 29.723 14.184 1.00 27.38 ? 424 TYR B CZ 1 ATOM 8387 O OH . TYR B 1 424 ? -14.912 28.903 15.285 1.00 26.39 ? 424 TYR B OH 1 ATOM 8388 N N . LEU B 1 425 ? -14.909 30.161 8.620 1.00 27.69 ? 425 LEU B N 1 ATOM 8389 C CA . LEU B 1 425 ? -14.931 28.756 8.239 1.00 28.49 ? 425 LEU B CA 1 ATOM 8390 C C . LEU B 1 425 ? -13.700 28.335 7.440 1.00 27.68 ? 425 LEU B C 1 ATOM 8391 O O . LEU B 1 425 ? -13.267 27.192 7.546 1.00 27.93 ? 425 LEU B O 1 ATOM 8392 C CB . LEU B 1 425 ? -16.218 28.397 7.486 1.00 29.39 ? 425 LEU B CB 1 ATOM 8393 C CG . LEU B 1 425 ? -17.487 28.207 8.319 1.00 30.61 ? 425 LEU B CG 1 ATOM 8394 C CD1 . LEU B 1 425 ? -18.691 28.023 7.409 1.00 31.49 ? 425 LEU B CD1 1 ATOM 8395 C CD2 . LEU B 1 425 ? -17.379 27.046 9.295 1.00 30.39 ? 425 LEU B CD2 1 ATOM 8396 N N . LEU B 1 426 ? -13.121 29.252 6.666 1.00 27.20 ? 426 LEU B N 1 ATOM 8397 C CA . LEU B 1 426 ? -11.899 28.925 5.935 1.00 26.56 ? 426 LEU B CA 1 ATOM 8398 C C . LEU B 1 426 ? -10.731 28.758 6.905 1.00 25.84 ? 426 LEU B C 1 ATOM 8399 O O . LEU B 1 426 ? -9.950 27.807 6.783 1.00 25.00 ? 426 LEU B O 1 ATOM 8400 C CB . LEU B 1 426 ? -11.553 29.969 4.870 1.00 27.19 ? 426 LEU B CB 1 ATOM 8401 C CG . LEU B 1 426 ? -10.174 29.680 4.259 1.00 27.42 ? 426 LEU B CG 1 ATOM 8402 C CD1 . LEU B 1 426 ? -10.256 28.533 3.257 1.00 27.33 ? 426 LEU B CD1 1 ATOM 8403 C CD2 . LEU B 1 426 ? -9.567 30.920 3.623 1.00 28.21 ? 426 LEU B CD2 1 ATOM 8404 N N . LYS B 1 427 ? -10.627 29.673 7.870 1.00 25.04 ? 427 LYS B N 1 ATOM 8405 C CA . LYS B 1 427 ? -9.616 29.580 8.905 1.00 24.44 ? 427 LYS B CA 1 ATOM 8406 C C . LYS B 1 427 ? -9.758 28.256 9.659 1.00 23.84 ? 427 LYS B C 1 ATOM 8407 O O . LYS B 1 427 ? -8.754 27.610 9.970 1.00 23.55 ? 427 LYS B O 1 ATOM 8408 C CB . LYS B 1 427 ? -9.714 30.766 9.876 1.00 24.93 ? 427 LYS B CB 1 ATOM 8409 C CG . LYS B 1 427 ? -8.610 30.788 10.923 1.00 24.78 ? 427 LYS B CG 1 ATOM 8410 C CD . LYS B 1 427 ? -8.756 31.955 11.894 1.00 25.65 ? 427 LYS B CD 1 ATOM 8411 C CE . LYS B 1 427 ? -7.618 31.965 12.893 1.00 25.47 ? 427 LYS B CE 1 ATOM 8412 N NZ . LYS B 1 427 ? -7.769 30.847 13.867 1.00 26.59 ? 427 LYS B NZ 1 ATOM 8413 N N . MET B 1 428 ? -10.999 27.862 9.951 1.00 23.52 ? 428 MET B N 1 ATOM 8414 C CA . MET B 1 428 ? -11.246 26.601 10.644 1.00 23.58 ? 428 MET B CA 1 ATOM 8415 C C . MET B 1 428 ? -10.949 25.401 9.730 1.00 22.77 ? 428 MET B C 1 ATOM 8416 O O . MET B 1 428 ? -10.525 24.344 10.205 1.00 22.51 ? 428 MET B O 1 ATOM 8417 C CB . MET B 1 428 ? -12.666 26.538 11.221 1.00 24.33 ? 428 MET B CB 1 ATOM 8418 C CG . MET B 1 428 ? -12.940 27.552 12.358 1.00 25.24 ? 428 MET B CG 1 ATOM 8419 S SD . MET B 1 428 ? -11.724 27.582 13.709 1.00 26.31 ? 428 MET B SD 1 ATOM 8420 C CE . MET B 1 428 ? -12.001 25.964 14.437 1.00 24.54 ? 428 MET B CE 1 ATOM 8421 N N . ALA B 1 429 ? -11.162 25.569 8.425 1.00 22.20 ? 429 ALA B N 1 ATOM 8422 C CA . ALA B 1 429 ? -10.833 24.509 7.465 1.00 21.76 ? 429 ALA B CA 1 ATOM 8423 C C . ALA B 1 429 ? -9.322 24.297 7.426 1.00 21.13 ? 429 ALA B C 1 ATOM 8424 O O . ALA B 1 429 ? -8.835 23.158 7.389 1.00 20.24 ? 429 ALA B O 1 ATOM 8425 C CB . ALA B 1 429 ? -11.361 24.846 6.082 1.00 22.79 ? 429 ALA B CB 1 ATOM 8426 N N . LEU B 1 430 ? -8.581 25.399 7.443 1.00 20.73 ? 430 LEU B N 1 ATOM 8427 C CA . LEU B 1 430 ? -7.126 25.335 7.438 1.00 20.83 ? 430 LEU B CA 1 ATOM 8428 C C . LEU B 1 430 ? -6.594 24.551 8.644 1.00 21.13 ? 430 LEU B C 1 ATOM 8429 O O . LEU B 1 430 ? -5.602 23.810 8.540 1.00 20.25 ? 430 LEU B O 1 ATOM 8430 C CB . LEU B 1 430 ? -6.534 26.747 7.394 1.00 20.72 ? 430 LEU B CB 1 ATOM 8431 C CG . LEU B 1 430 ? -6.777 27.568 6.114 1.00 20.68 ? 430 LEU B CG 1 ATOM 8432 C CD1 . LEU B 1 430 ? -6.248 28.982 6.284 1.00 20.88 ? 430 LEU B CD1 1 ATOM 8433 C CD2 . LEU B 1 430 ? -6.169 26.928 4.862 1.00 20.65 ? 430 LEU B CD2 1 ATOM 8434 N N . GLU B 1 431 ? -7.266 24.721 9.781 1.00 21.97 ? 431 GLU B N 1 ATOM 8435 C CA . GLU B 1 431 ? -6.856 24.087 11.021 1.00 23.03 ? 431 GLU B CA 1 ATOM 8436 C C . GLU B 1 431 ? -7.293 22.622 11.092 1.00 23.06 ? 431 GLU B C 1 ATOM 8437 O O . GLU B 1 431 ? -6.519 21.759 11.500 1.00 23.84 ? 431 GLU B O 1 ATOM 8438 C CB . GLU B 1 431 ? -7.423 24.876 12.213 1.00 24.09 ? 431 GLU B CB 1 ATOM 8439 C CG . GLU B 1 431 ? -6.865 24.453 13.556 1.00 25.33 ? 431 GLU B CG 1 ATOM 8440 C CD . GLU B 1 431 ? -7.605 25.084 14.717 1.00 26.47 ? 431 GLU B CD 1 ATOM 8441 O OE1 . GLU B 1 431 ? -8.214 26.160 14.519 1.00 26.44 ? 431 GLU B OE1 1 ATOM 8442 O OE2 . GLU B 1 431 ? -7.574 24.498 15.822 1.00 25.96 ? 431 GLU B OE2 1 ATOM 8443 N N . LYS B 1 432 ? -8.520 22.338 10.668 1.00 23.03 ? 432 LYS B N 1 ATOM 8444 C CA . LYS B 1 432 ? -9.139 21.037 10.916 1.00 22.71 ? 432 LYS B CA 1 ATOM 8445 C C . LYS B 1 432 ? -9.134 20.090 9.701 1.00 23.59 ? 432 LYS B C 1 ATOM 8446 O O . LYS B 1 432 ? -8.669 18.946 9.805 1.00 23.42 ? 432 LYS B O 1 ATOM 8447 C CB . LYS B 1 432 ? -10.563 21.235 11.451 1.00 22.80 ? 432 LYS B CB 1 ATOM 8448 C CG . LYS B 1 432 ? -10.659 22.057 12.741 1.00 22.76 ? 432 LYS B CG 1 ATOM 8449 C CD . LYS B 1 432 ? -10.053 21.321 13.931 1.00 21.95 ? 432 LYS B CD 1 ATOM 8450 C CE . LYS B 1 432 ? -10.272 22.094 15.227 1.00 22.73 ? 432 LYS B CE 1 ATOM 8451 N NZ . LYS B 1 432 ? -9.476 21.486 16.340 1.00 22.83 ? 432 LYS B NZ 1 ATOM 8452 N N . ILE B 1 433 ? -9.656 20.560 8.571 1.00 23.26 ? 433 ILE B N 1 ATOM 8453 C CA . ILE B 1 433 ? -9.711 19.752 7.341 1.00 23.37 ? 433 ILE B CA 1 ATOM 8454 C C . ILE B 1 433 ? -8.302 19.382 6.869 1.00 22.31 ? 433 ILE B C 1 ATOM 8455 O O . ILE B 1 433 ? -8.053 18.238 6.488 1.00 22.34 ? 433 ILE B O 1 ATOM 8456 C CB . ILE B 1 433 ? -10.462 20.477 6.192 1.00 23.88 ? 433 ILE B CB 1 ATOM 8457 C CG1 . ILE B 1 433 ? -11.885 20.880 6.613 1.00 24.91 ? 433 ILE B CG1 1 ATOM 8458 C CG2 . ILE B 1 433 ? -10.492 19.622 4.923 1.00 24.02 ? 433 ILE B CG2 1 ATOM 8459 C CD1 . ILE B 1 433 ? -12.735 19.724 7.080 1.00 25.84 ? 433 ILE B CD1 1 ATOM 8460 N N . ALA B 1 434 ? -7.389 20.346 6.901 1.00 20.79 ? 434 ALA B N 1 ATOM 8461 C CA . ALA B 1 434 ? -6.012 20.118 6.440 1.00 20.35 ? 434 ALA B CA 1 ATOM 8462 C C . ALA B 1 434 ? -5.280 18.995 7.188 1.00 19.15 ? 434 ALA B C 1 ATOM 8463 O O . ALA B 1 434 ? -4.406 18.343 6.618 1.00 19.02 ? 434 ALA B O 1 ATOM 8464 C CB . ALA B 1 434 ? -5.208 21.402 6.508 1.00 20.06 ? 434 ALA B CB 1 ATOM 8465 N N . PHE B 1 435 ? -5.639 18.783 8.451 1.00 18.40 ? 435 PHE B N 1 ATOM 8466 C CA . PHE B 1 435 ? -5.023 17.764 9.300 1.00 17.78 ? 435 PHE B CA 1 ATOM 8467 C C . PHE B 1 435 ? -5.486 16.358 8.973 1.00 18.32 ? 435 PHE B C 1 ATOM 8468 O O . PHE B 1 435 ? -4.736 15.399 9.163 1.00 18.34 ? 435 PHE B O 1 ATOM 8469 C CB . PHE B 1 435 ? -5.314 18.040 10.794 1.00 17.46 ? 435 PHE B CB 1 ATOM 8470 C CG . PHE B 1 435 ? -4.671 17.049 11.723 1.00 17.04 ? 435 PHE B CG 1 ATOM 8471 C CD1 . PHE B 1 435 ? -3.310 17.167 12.065 1.00 16.92 ? 435 PHE B CD1 1 ATOM 8472 C CD2 . PHE B 1 435 ? -5.400 15.991 12.248 1.00 17.13 ? 435 PHE B CD2 1 ATOM 8473 C CE1 . PHE B 1 435 ? -2.702 16.251 12.909 1.00 16.51 ? 435 PHE B CE1 1 ATOM 8474 C CE2 . PHE B 1 435 ? -4.796 15.079 13.106 1.00 17.10 ? 435 PHE B CE2 1 ATOM 8475 C CZ . PHE B 1 435 ? -3.441 15.207 13.436 1.00 16.73 ? 435 PHE B CZ 1 ATOM 8476 N N . LEU B 1 436 ? -6.729 16.232 8.511 1.00 18.81 ? 436 LEU B N 1 ATOM 8477 C CA . LEU B 1 436 ? -7.330 14.924 8.292 1.00 19.54 ? 436 LEU B CA 1 ATOM 8478 C C . LEU B 1 436 ? -6.436 13.913 7.559 1.00 19.58 ? 436 LEU B C 1 ATOM 8479 O O . LEU B 1 436 ? -6.250 12.821 8.085 1.00 19.34 ? 436 LEU B O 1 ATOM 8480 C CB . LEU B 1 436 ? -8.727 15.013 7.646 1.00 19.78 ? 436 LEU B CB 1 ATOM 8481 C CG . LEU B 1 436 ? -9.787 15.732 8.486 1.00 20.77 ? 436 LEU B CG 1 ATOM 8482 C CD1 . LEU B 1 436 ? -10.992 16.073 7.621 1.00 20.98 ? 436 LEU B CD1 1 ATOM 8483 C CD2 . LEU B 1 436 ? -10.195 14.948 9.740 1.00 20.93 ? 436 LEU B CD2 1 ATOM 8484 N N . PRO B 1 437 ? -5.878 14.267 6.367 1.00 19.47 ? 437 PRO B N 1 ATOM 8485 C CA . PRO B 1 437 ? -4.993 13.295 5.701 1.00 19.14 ? 437 PRO B CA 1 ATOM 8486 C C . PRO B 1 437 ? -3.782 12.888 6.533 1.00 18.74 ? 437 PRO B C 1 ATOM 8487 O O . PRO B 1 437 ? -3.368 11.737 6.488 1.00 18.80 ? 437 PRO B O 1 ATOM 8488 C CB . PRO B 1 437 ? -4.526 14.040 4.431 1.00 19.63 ? 437 PRO B CB 1 ATOM 8489 C CG . PRO B 1 437 ? -4.856 15.479 4.670 1.00 19.67 ? 437 PRO B CG 1 ATOM 8490 C CD . PRO B 1 437 ? -6.121 15.430 5.495 1.00 19.87 ? 437 PRO B CD 1 ATOM 8491 N N . PHE B 1 438 ? -3.203 13.834 7.268 1.00 17.97 ? 438 PHE B N 1 ATOM 8492 C CA . PHE B 1 438 ? -2.029 13.551 8.071 1.00 17.25 ? 438 PHE B CA 1 ATOM 8493 C C . PHE B 1 438 ? -2.367 12.688 9.301 1.00 16.98 ? 438 PHE B C 1 ATOM 8494 O O . PHE B 1 438 ? -1.677 11.720 9.590 1.00 16.86 ? 438 PHE B O 1 ATOM 8495 C CB . PHE B 1 438 ? -1.369 14.857 8.494 1.00 16.84 ? 438 PHE B CB 1 ATOM 8496 C CG . PHE B 1 438 ? -0.027 14.664 9.126 1.00 17.39 ? 438 PHE B CG 1 ATOM 8497 C CD1 . PHE B 1 438 ? 1.061 14.257 8.349 1.00 17.08 ? 438 PHE B CD1 1 ATOM 8498 C CD2 . PHE B 1 438 ? 0.157 14.880 10.498 1.00 16.97 ? 438 PHE B CD2 1 ATOM 8499 C CE1 . PHE B 1 438 ? 2.306 14.061 8.931 1.00 17.39 ? 438 PHE B CE1 1 ATOM 8500 C CE2 . PHE B 1 438 ? 1.413 14.689 11.074 1.00 16.76 ? 438 PHE B CE2 1 ATOM 8501 C CZ . PHE B 1 438 ? 2.483 14.284 10.284 1.00 16.85 ? 438 PHE B CZ 1 ATOM 8502 N N . GLY B 1 439 ? -3.432 13.041 10.013 1.00 16.87 ? 439 GLY B N 1 ATOM 8503 C CA . GLY B 1 439 ? -3.904 12.228 11.133 1.00 17.36 ? 439 GLY B CA 1 ATOM 8504 C C . GLY B 1 439 ? -4.155 10.785 10.729 1.00 17.93 ? 439 GLY B C 1 ATOM 8505 O O . GLY B 1 439 ? -4.002 9.866 11.538 1.00 17.44 ? 439 GLY B O 1 ATOM 8506 N N . TYR B 1 440 ? -4.542 10.589 9.471 1.00 18.79 ? 440 TYR B N 1 ATOM 8507 C CA . TYR B 1 440 ? -4.870 9.260 8.953 1.00 19.88 ? 440 TYR B CA 1 ATOM 8508 C C . TYR B 1 440 ? -3.617 8.484 8.515 1.00 19.94 ? 440 TYR B C 1 ATOM 8509 O O . TYR B 1 440 ? -3.474 7.302 8.838 1.00 20.58 ? 440 TYR B O 1 ATOM 8510 C CB . TYR B 1 440 ? -5.894 9.390 7.818 1.00 21.03 ? 440 TYR B CB 1 ATOM 8511 C CG . TYR B 1 440 ? -6.439 8.084 7.284 1.00 22.97 ? 440 TYR B CG 1 ATOM 8512 C CD1 . TYR B 1 440 ? -6.665 6.987 8.128 1.00 23.66 ? 440 TYR B CD1 1 ATOM 8513 C CD2 . TYR B 1 440 ? -6.765 7.958 5.940 1.00 23.43 ? 440 TYR B CD2 1 ATOM 8514 C CE1 . TYR B 1 440 ? -7.182 5.797 7.634 1.00 24.60 ? 440 TYR B CE1 1 ATOM 8515 C CE2 . TYR B 1 440 ? -7.290 6.774 5.438 1.00 25.42 ? 440 TYR B CE2 1 ATOM 8516 C CZ . TYR B 1 440 ? -7.486 5.697 6.289 1.00 25.64 ? 440 TYR B CZ 1 ATOM 8517 O OH . TYR B 1 440 ? -7.997 4.522 5.787 1.00 26.94 ? 440 TYR B OH 1 ATOM 8518 N N . LEU B 1 441 ? -2.675 9.166 7.861 1.00 19.38 ? 441 LEU B N 1 ATOM 8519 C CA . LEU B 1 441 ? -1.553 8.488 7.197 1.00 18.33 ? 441 LEU B CA 1 ATOM 8520 C C . LEU B 1 441 ? -0.411 8.032 8.104 1.00 18.25 ? 441 LEU B C 1 ATOM 8521 O O . LEU B 1 441 ? 0.239 7.025 7.802 1.00 18.33 ? 441 LEU B O 1 ATOM 8522 C CB . LEU B 1 441 ? -1.016 9.334 6.022 1.00 18.20 ? 441 LEU B CB 1 ATOM 8523 C CG . LEU B 1 441 ? -0.132 10.554 6.321 1.00 17.74 ? 441 LEU B CG 1 ATOM 8524 C CD1 . LEU B 1 441 ? 1.317 10.145 6.541 1.00 17.74 ? 441 LEU B CD1 1 ATOM 8525 C CD2 . LEU B 1 441 ? -0.234 11.568 5.197 1.00 17.80 ? 441 LEU B CD2 1 ATOM 8526 N N . VAL B 1 442 ? -0.150 8.772 9.188 1.00 17.82 ? 442 VAL B N 1 ATOM 8527 C CA . VAL B 1 442 ? 1.008 8.506 10.056 1.00 17.73 ? 442 VAL B CA 1 ATOM 8528 C C . VAL B 1 442 ? 0.998 7.080 10.585 1.00 18.45 ? 442 VAL B C 1 ATOM 8529 O O . VAL B 1 442 ? 2.008 6.381 10.489 1.00 18.76 ? 442 VAL B O 1 ATOM 8530 C CB . VAL B 1 442 ? 1.163 9.534 11.228 1.00 17.60 ? 442 VAL B CB 1 ATOM 8531 C CG1 . VAL B 1 442 ? 2.321 9.163 12.153 1.00 16.81 ? 442 VAL B CG1 1 ATOM 8532 C CG2 . VAL B 1 442 ? 1.386 10.934 10.684 1.00 16.97 ? 442 VAL B CG2 1 ATOM 8533 N N . ASP B 1 443 ? -0.129 6.624 11.123 1.00 18.29 ? 443 ASP B N 1 ATOM 8534 C CA . ASP B 1 443 ? -0.151 5.250 11.589 1.00 19.46 ? 443 ASP B CA 1 ATOM 8535 C C . ASP B 1 443 ? -0.300 4.219 10.461 1.00 19.88 ? 443 ASP B C 1 ATOM 8536 O O . ASP B 1 443 ? 0.104 3.076 10.634 1.00 21.62 ? 443 ASP B O 1 ATOM 8537 C CB . ASP B 1 443 ? -1.140 5.029 12.741 1.00 19.44 ? 443 ASP B CB 1 ATOM 8538 C CG . ASP B 1 443 ? -0.546 5.406 14.104 1.00 19.68 ? 443 ASP B CG 1 ATOM 8539 O OD1 . ASP B 1 443 ? 0.660 5.773 14.168 1.00 19.05 ? 443 ASP B OD1 1 ATOM 8540 O OD2 . ASP B 1 443 ? -1.288 5.336 15.113 1.00 18.78 ? 443 ASP B OD2 1 ATOM 8541 N N . GLN B 1 444 ? -0.844 4.604 9.309 1.00 20.27 ? 444 GLN B N 1 ATOM 8542 C CA . GLN B 1 444 ? -0.749 3.720 8.135 1.00 20.79 ? 444 GLN B CA 1 ATOM 8543 C C . GLN B 1 444 ? 0.711 3.398 7.838 1.00 20.43 ? 444 GLN B C 1 ATOM 8544 O O . GLN B 1 444 ? 1.076 2.243 7.596 1.00 19.85 ? 444 GLN B O 1 ATOM 8545 C CB . GLN B 1 444 ? -1.416 4.333 6.913 1.00 22.37 ? 444 GLN B CB 1 ATOM 8546 C CG . GLN B 1 444 ? -2.926 4.372 7.008 1.00 24.29 ? 444 GLN B CG 1 ATOM 8547 C CD . GLN B 1 444 ? -3.562 4.544 5.655 1.00 26.63 ? 444 GLN B CD 1 ATOM 8548 O OE1 . GLN B 1 444 ? -3.353 3.732 4.750 1.00 29.03 ? 444 GLN B OE1 1 ATOM 8549 N NE2 . GLN B 1 444 ? -4.341 5.602 5.501 1.00 26.42 ? 444 GLN B NE2 1 ATOM 8550 N N . TRP B 1 445 ? 1.562 4.416 7.900 1.00 20.01 ? 445 TRP B N 1 ATOM 8551 C CA . TRP B 1 445 ? 2.992 4.196 7.731 1.00 19.22 ? 445 TRP B CA 1 ATOM 8552 C C . TRP B 1 445 ? 3.533 3.274 8.821 1.00 19.26 ? 445 TRP B C 1 ATOM 8553 O O . TRP B 1 445 ? 4.167 2.262 8.544 1.00 18.70 ? 445 TRP B O 1 ATOM 8554 C CB . TRP B 1 445 ? 3.743 5.523 7.736 1.00 19.00 ? 445 TRP B CB 1 ATOM 8555 C CG . TRP B 1 445 ? 5.208 5.323 7.529 1.00 19.52 ? 445 TRP B CG 1 ATOM 8556 C CD1 . TRP B 1 445 ? 5.846 5.148 6.336 1.00 19.54 ? 445 TRP B CD1 1 ATOM 8557 C CD2 . TRP B 1 445 ? 6.213 5.234 8.541 1.00 19.81 ? 445 TRP B CD2 1 ATOM 8558 N NE1 . TRP B 1 445 ? 7.191 4.971 6.537 1.00 19.46 ? 445 TRP B NE1 1 ATOM 8559 C CE2 . TRP B 1 445 ? 7.449 5.025 7.882 1.00 20.14 ? 445 TRP B CE2 1 ATOM 8560 C CE3 . TRP B 1 445 ? 6.198 5.328 9.941 1.00 19.95 ? 445 TRP B CE3 1 ATOM 8561 C CZ2 . TRP B 1 445 ? 8.662 4.904 8.575 1.00 19.89 ? 445 TRP B CZ2 1 ATOM 8562 C CZ3 . TRP B 1 445 ? 7.404 5.201 10.634 1.00 20.19 ? 445 TRP B CZ3 1 ATOM 8563 C CH2 . TRP B 1 445 ? 8.615 4.986 9.950 1.00 20.05 ? 445 TRP B CH2 1 ATOM 8564 N N . ARG B 1 446 ? 3.262 3.625 10.072 1.00 19.46 ? 446 ARG B N 1 ATOM 8565 C CA . ARG B 1 446 ? 3.795 2.888 11.198 1.00 20.38 ? 446 ARG B CA 1 ATOM 8566 C C . ARG B 1 446 ? 3.268 1.452 11.254 1.00 20.39 ? 446 ARG B C 1 ATOM 8567 O O . ARG B 1 446 ? 4.016 0.547 11.613 1.00 20.78 ? 446 ARG B O 1 ATOM 8568 C CB . ARG B 1 446 ? 3.498 3.650 12.493 1.00 20.85 ? 446 ARG B CB 1 ATOM 8569 C CG . ARG B 1 446 ? 4.342 3.266 13.686 1.00 21.47 ? 446 ARG B CG 1 ATOM 8570 C CD . ARG B 1 446 ? 4.669 4.465 14.580 1.00 21.43 ? 446 ARG B CD 1 ATOM 8571 N NE . ARG B 1 446 ? 3.559 5.408 14.806 1.00 20.05 ? 446 ARG B NE 1 ATOM 8572 C CZ . ARG B 1 446 ? 3.573 6.382 15.720 1.00 18.71 ? 446 ARG B CZ 1 ATOM 8573 N NH1 . ARG B 1 446 ? 4.618 6.540 16.521 1.00 17.59 ? 446 ARG B NH1 1 ATOM 8574 N NH2 . ARG B 1 446 ? 2.527 7.192 15.845 1.00 18.04 ? 446 ARG B NH2 1 ATOM 8575 N N . TRP B 1 447 ? 1.991 1.230 10.921 1.00 21.11 ? 447 TRP B N 1 ATOM 8576 C CA . TRP B 1 447 ? 1.465 -0.150 10.869 1.00 21.53 ? 447 TRP B CA 1 ATOM 8577 C C . TRP B 1 447 ? 2.199 -1.016 9.836 1.00 21.94 ? 447 TRP B C 1 ATOM 8578 O O . TRP B 1 447 ? 2.429 -2.203 10.069 1.00 23.40 ? 447 TRP B O 1 ATOM 8579 C CB . TRP B 1 447 ? -0.039 -0.204 10.578 1.00 21.55 ? 447 TRP B CB 1 ATOM 8580 C CG . TRP B 1 447 ? -0.905 0.483 11.616 1.00 22.32 ? 447 TRP B CG 1 ATOM 8581 C CD1 . TRP B 1 447 ? -0.607 0.689 12.926 1.00 21.91 ? 447 TRP B CD1 1 ATOM 8582 C CD2 . TRP B 1 447 ? -2.217 1.025 11.410 1.00 23.00 ? 447 TRP B CD2 1 ATOM 8583 N NE1 . TRP B 1 447 ? -1.640 1.345 13.554 1.00 22.66 ? 447 TRP B NE1 1 ATOM 8584 C CE2 . TRP B 1 447 ? -2.644 1.564 12.644 1.00 23.21 ? 447 TRP B CE2 1 ATOM 8585 C CE3 . TRP B 1 447 ? -3.066 1.123 10.296 1.00 24.02 ? 447 TRP B CE3 1 ATOM 8586 C CZ2 . TRP B 1 447 ? -3.886 2.196 12.802 1.00 23.18 ? 447 TRP B CZ2 1 ATOM 8587 C CZ3 . TRP B 1 447 ? -4.313 1.756 10.455 1.00 24.03 ? 447 TRP B CZ3 1 ATOM 8588 C CH2 . TRP B 1 447 ? -4.703 2.280 11.701 1.00 23.91 ? 447 TRP B CH2 1 ATOM 8589 N N . GLY B 1 448 ? 2.527 -0.434 8.689 1.00 21.58 ? 448 GLY B N 1 ATOM 8590 C CA . GLY B 1 448 ? 3.291 -1.140 7.645 1.00 21.76 ? 448 GLY B CA 1 ATOM 8591 C C . GLY B 1 448 ? 4.701 -1.492 8.099 1.00 22.02 ? 448 GLY B C 1 ATOM 8592 O O . GLY B 1 448 ? 5.231 -2.559 7.763 1.00 22.26 ? 448 GLY B O 1 ATOM 8593 N N . VAL B 1 449 ? 5.318 -0.582 8.846 1.00 21.46 ? 449 VAL B N 1 ATOM 8594 C CA . VAL B 1 449 ? 6.620 -0.829 9.449 1.00 21.97 ? 449 VAL B CA 1 ATOM 8595 C C . VAL B 1 449 ? 6.535 -1.960 10.476 1.00 23.20 ? 449 VAL B C 1 ATOM 8596 O O . VAL B 1 449 ? 7.315 -2.911 10.413 1.00 24.44 ? 449 VAL B O 1 ATOM 8597 C CB . VAL B 1 449 ? 7.208 0.446 10.101 1.00 21.34 ? 449 VAL B CB 1 ATOM 8598 C CG1 . VAL B 1 449 ? 8.513 0.137 10.847 1.00 21.45 ? 449 VAL B CG1 1 ATOM 8599 C CG2 . VAL B 1 449 ? 7.456 1.515 9.044 1.00 21.02 ? 449 VAL B CG2 1 ATOM 8600 N N . PHE B 1 450 ? 5.600 -1.864 11.420 1.00 23.49 ? 450 PHE B N 1 ATOM 8601 C CA . PHE B 1 450 ? 5.408 -2.951 12.393 1.00 24.71 ? 450 PHE B CA 1 ATOM 8602 C C . PHE B 1 450 ? 5.078 -4.303 11.744 1.00 24.76 ? 450 PHE B C 1 ATOM 8603 O O . PHE B 1 450 ? 5.542 -5.342 12.211 1.00 24.62 ? 450 PHE B O 1 ATOM 8604 C CB . PHE B 1 450 ? 4.325 -2.602 13.424 1.00 24.57 ? 450 PHE B CB 1 ATOM 8605 C CG . PHE B 1 450 ? 4.762 -1.621 14.478 1.00 24.79 ? 450 PHE B CG 1 ATOM 8606 C CD1 . PHE B 1 450 ? 5.978 -1.777 15.152 1.00 25.36 ? 450 PHE B CD1 1 ATOM 8607 C CD2 . PHE B 1 450 ? 3.936 -0.561 14.833 1.00 24.66 ? 450 PHE B CD2 1 ATOM 8608 C CE1 . PHE B 1 450 ? 6.368 -0.881 16.145 1.00 24.96 ? 450 PHE B CE1 1 ATOM 8609 C CE2 . PHE B 1 450 ? 4.325 0.341 15.821 1.00 25.22 ? 450 PHE B CE2 1 ATOM 8610 C CZ . PHE B 1 450 ? 5.544 0.183 16.473 1.00 25.04 ? 450 PHE B CZ 1 ATOM 8611 N N . SER B 1 451 ? 4.270 -4.292 10.688 1.00 25.48 ? 451 SER B N 1 ATOM 8612 C CA . SER B 1 451 ? 3.870 -5.536 10.014 1.00 26.59 ? 451 SER B CA 1 ATOM 8613 C C . SER B 1 451 ? 5.008 -6.164 9.219 1.00 27.54 ? 451 SER B C 1 ATOM 8614 O O . SER B 1 451 ? 4.963 -7.350 8.891 1.00 27.93 ? 451 SER B O 1 ATOM 8615 C CB . SER B 1 451 ? 2.682 -5.300 9.082 1.00 27.20 ? 451 SER B CB 1 ATOM 8616 O OG . SER B 1 451 ? 3.090 -4.591 7.917 1.00 26.16 ? 451 SER B OG 1 ATOM 8617 N N . GLY B 1 452 ? 6.026 -5.371 8.905 1.00 27.52 ? 452 GLY B N 1 ATOM 8618 C CA . GLY B 1 452 ? 7.081 -5.832 8.021 1.00 28.01 ? 452 GLY B CA 1 ATOM 8619 C C . GLY B 1 452 ? 6.832 -5.545 6.547 1.00 27.41 ? 452 GLY B C 1 ATOM 8620 O O . GLY B 1 452 ? 7.679 -5.844 5.720 1.00 27.80 ? 452 GLY B O 1 ATOM 8621 N N . ARG B 1 453 ? 5.686 -4.954 6.209 1.00 27.43 ? 453 ARG B N 1 ATOM 8622 C CA . ARG B 1 453 ? 5.418 -4.539 4.830 1.00 27.86 ? 453 ARG B CA 1 ATOM 8623 C C . ARG B 1 453 ? 6.409 -3.462 4.383 1.00 26.39 ? 453 ARG B C 1 ATOM 8624 O O . ARG B 1 453 ? 6.794 -3.413 3.210 1.00 25.74 ? 453 ARG B O 1 ATOM 8625 C CB . ARG B 1 453 ? 3.989 -4.031 4.657 1.00 30.53 ? 453 ARG B CB 1 ATOM 8626 C CG . ARG B 1 453 ? 3.693 -3.477 3.256 1.00 35.91 ? 453 ARG B CG 1 ATOM 8627 C CD . ARG B 1 453 ? 2.910 -2.169 3.296 1.00 40.35 ? 453 ARG B CD 1 ATOM 8628 N NE . ARG B 1 453 ? 1.721 -2.278 4.144 1.00 43.91 ? 453 ARG B NE 1 ATOM 8629 C CZ . ARG B 1 453 ? 1.088 -1.253 4.710 1.00 45.92 ? 453 ARG B CZ 1 ATOM 8630 N NH1 . ARG B 1 453 ? 1.511 -0.012 4.525 1.00 47.23 ? 453 ARG B NH1 1 ATOM 8631 N NH2 . ARG B 1 453 ? 0.021 -1.476 5.469 1.00 47.98 ? 453 ARG B NH2 1 ATOM 8632 N N . THR B 1 454 ? 6.822 -2.621 5.333 1.00 24.26 ? 454 THR B N 1 ATOM 8633 C CA . THR B 1 454 ? 7.775 -1.549 5.091 1.00 22.81 ? 454 THR B CA 1 ATOM 8634 C C . THR B 1 454 ? 9.053 -1.820 5.897 1.00 22.87 ? 454 THR B C 1 ATOM 8635 O O . THR B 1 454 ? 9.126 -1.472 7.085 1.00 22.47 ? 454 THR B O 1 ATOM 8636 C CB . THR B 1 454 ? 7.152 -0.177 5.480 1.00 22.13 ? 454 THR B CB 1 ATOM 8637 O OG1 . THR B 1 454 ? 6.006 0.070 4.656 1.00 21.53 ? 454 THR B OG1 1 ATOM 8638 C CG2 . THR B 1 454 ? 8.145 0.978 5.304 1.00 21.72 ? 454 THR B CG2 1 ATOM 8639 N N . PRO B 1 455 ? 10.055 -2.469 5.266 1.00 23.16 ? 455 PRO B N 1 ATOM 8640 C CA . PRO B 1 455 ? 11.344 -2.679 5.923 1.00 22.84 ? 455 PRO B CA 1 ATOM 8641 C C . PRO B 1 455 ? 12.134 -1.381 5.903 1.00 22.28 ? 455 PRO B C 1 ATOM 8642 O O . PRO B 1 455 ? 11.725 -0.452 5.219 1.00 22.37 ? 455 PRO B O 1 ATOM 8643 C CB . PRO B 1 455 ? 12.013 -3.734 5.033 1.00 23.53 ? 455 PRO B CB 1 ATOM 8644 C CG . PRO B 1 455 ? 11.452 -3.466 3.683 1.00 23.92 ? 455 PRO B CG 1 ATOM 8645 C CD . PRO B 1 455 ? 10.012 -3.113 3.939 1.00 22.96 ? 455 PRO B CD 1 ATOM 8646 N N . PRO B 1 456 ? 13.260 -1.309 6.641 1.00 23.13 ? 456 PRO B N 1 ATOM 8647 C CA . PRO B 1 456 ? 14.117 -0.113 6.643 1.00 22.88 ? 456 PRO B CA 1 ATOM 8648 C C . PRO B 1 456 ? 14.472 0.424 5.252 1.00 23.03 ? 456 PRO B C 1 ATOM 8649 O O . PRO B 1 456 ? 14.520 1.638 5.053 1.00 22.41 ? 456 PRO B O 1 ATOM 8650 C CB . PRO B 1 456 ? 15.374 -0.597 7.371 1.00 23.81 ? 456 PRO B CB 1 ATOM 8651 C CG . PRO B 1 456 ? 14.844 -1.611 8.342 1.00 24.41 ? 456 PRO B CG 1 ATOM 8652 C CD . PRO B 1 456 ? 13.747 -2.326 7.599 1.00 23.51 ? 456 PRO B CD 1 ATOM 8653 N N . SER B 1 457 ? 14.696 -0.470 4.292 1.00 23.50 ? 457 SER B N 1 ATOM 8654 C CA . SER B 1 457 ? 15.043 -0.071 2.934 1.00 24.16 ? 457 SER B CA 1 ATOM 8655 C C . SER B 1 457 ? 13.937 0.717 2.215 1.00 23.74 ? 457 SER B C 1 ATOM 8656 O O . SER B 1 457 ? 14.177 1.275 1.145 1.00 23.97 ? 457 SER B O 1 ATOM 8657 C CB . SER B 1 457 ? 15.430 -1.304 2.101 1.00 25.86 ? 457 SER B CB 1 ATOM 8658 O OG . SER B 1 457 ? 14.281 -2.072 1.795 1.00 26.76 ? 457 SER B OG 1 ATOM 8659 N N . ARG B 1 458 ? 12.727 0.735 2.786 1.00 23.13 ? 458 ARG B N 1 ATOM 8660 C CA . ARG B 1 458 ? 11.612 1.510 2.233 1.00 22.22 ? 458 ARG B CA 1 ATOM 8661 C C . ARG B 1 458 ? 10.966 2.471 3.246 1.00 21.25 ? 458 ARG B C 1 ATOM 8662 O O . ARG B 1 458 ? 9.851 2.915 3.019 1.00 21.98 ? 458 ARG B O 1 ATOM 8663 C CB . ARG B 1 458 ? 10.526 0.592 1.631 1.00 22.55 ? 458 ARG B CB 1 ATOM 8664 C CG . ARG B 1 458 ? 10.931 -0.094 0.330 1.00 23.63 ? 458 ARG B CG 1 ATOM 8665 C CD . ARG B 1 458 ? 9.744 -0.771 -0.340 1.00 23.70 ? 458 ARG B CD 1 ATOM 8666 N NE . ARG B 1 458 ? 9.211 -1.924 0.400 1.00 24.21 ? 458 ARG B NE 1 ATOM 8667 C CZ . ARG B 1 458 ? 9.702 -3.162 0.353 1.00 25.29 ? 458 ARG B CZ 1 ATOM 8668 N NH1 . ARG B 1 458 ? 10.785 -3.444 -0.370 1.00 25.56 ? 458 ARG B NH1 1 ATOM 8669 N NH2 . ARG B 1 458 ? 9.108 -4.130 1.052 1.00 26.42 ? 458 ARG B NH2 1 ATOM 8670 N N . TYR B 1 459 ? 11.654 2.812 4.337 1.00 20.43 ? 459 TYR B N 1 ATOM 8671 C CA . TYR B 1 459 ? 11.093 3.786 5.300 1.00 19.99 ? 459 TYR B CA 1 ATOM 8672 C C . TYR B 1 459 ? 10.659 5.097 4.627 1.00 19.63 ? 459 TYR B C 1 ATOM 8673 O O . TYR B 1 459 ? 9.522 5.542 4.808 1.00 19.39 ? 459 TYR B O 1 ATOM 8674 C CB . TYR B 1 459 ? 12.098 4.109 6.424 1.00 20.30 ? 459 TYR B CB 1 ATOM 8675 C CG . TYR B 1 459 ? 12.172 3.145 7.594 1.00 20.31 ? 459 TYR B CG 1 ATOM 8676 C CD1 . TYR B 1 459 ? 11.451 1.944 7.616 1.00 20.59 ? 459 TYR B CD1 1 ATOM 8677 C CD2 . TYR B 1 459 ? 13.016 3.425 8.676 1.00 20.99 ? 459 TYR B CD2 1 ATOM 8678 C CE1 . TYR B 1 459 ? 11.553 1.065 8.695 1.00 20.69 ? 459 TYR B CE1 1 ATOM 8679 C CE2 . TYR B 1 459 ? 13.124 2.563 9.756 1.00 21.11 ? 459 TYR B CE2 1 ATOM 8680 C CZ . TYR B 1 459 ? 12.399 1.390 9.760 1.00 21.65 ? 459 TYR B CZ 1 ATOM 8681 O OH . TYR B 1 459 ? 12.526 0.556 10.836 1.00 23.14 ? 459 TYR B OH 1 ATOM 8682 N N . ASN B 1 460 ? 11.558 5.725 3.864 1.00 19.04 ? 460 ASN B N 1 ATOM 8683 C CA . ASN B 1 460 ? 11.253 7.030 3.266 1.00 18.50 ? 460 ASN B CA 1 ATOM 8684 C C . ASN B 1 460 ? 10.364 6.936 2.017 1.00 18.43 ? 460 ASN B C 1 ATOM 8685 O O . ASN B 1 460 ? 9.485 7.772 1.810 1.00 18.05 ? 460 ASN B O 1 ATOM 8686 C CB . ASN B 1 460 ? 12.525 7.834 2.986 1.00 18.51 ? 460 ASN B CB 1 ATOM 8687 C CG . ASN B 1 460 ? 12.442 9.262 3.513 1.00 18.29 ? 460 ASN B CG 1 ATOM 8688 O OD1 . ASN B 1 460 ? 12.068 9.490 4.667 1.00 18.33 ? 460 ASN B OD1 1 ATOM 8689 N ND2 . ASN B 1 460 ? 12.775 10.230 2.667 1.00 18.52 ? 460 ASN B ND2 1 ATOM 8690 N N . PHE B 1 461 ? 10.616 5.925 1.186 1.00 18.25 ? 461 PHE B N 1 ATOM 8691 C CA . PHE B 1 461 ? 9.806 5.634 0.004 1.00 18.48 ? 461 PHE B CA 1 ATOM 8692 C C . PHE B 1 461 ? 8.320 5.501 0.387 1.00 18.06 ? 461 PHE B C 1 ATOM 8693 O O . PHE B 1 461 ? 7.449 6.125 -0.237 1.00 18.35 ? 461 PHE B O 1 ATOM 8694 C CB . PHE B 1 461 ? 10.382 4.360 -0.659 1.00 19.16 ? 461 PHE B CB 1 ATOM 8695 C CG . PHE B 1 461 ? 9.628 3.844 -1.868 1.00 19.75 ? 461 PHE B CG 1 ATOM 8696 C CD1 . PHE B 1 461 ? 9.572 4.571 -3.051 1.00 20.37 ? 461 PHE B CD1 1 ATOM 8697 C CD2 . PHE B 1 461 ? 9.058 2.573 -1.842 1.00 20.45 ? 461 PHE B CD2 1 ATOM 8698 C CE1 . PHE B 1 461 ? 8.932 4.064 -4.176 1.00 20.71 ? 461 PHE B CE1 1 ATOM 8699 C CE2 . PHE B 1 461 ? 8.415 2.060 -2.957 1.00 20.92 ? 461 PHE B CE2 1 ATOM 8700 C CZ . PHE B 1 461 ? 8.347 2.810 -4.126 1.00 20.86 ? 461 PHE B CZ 1 ATOM 8701 N N . ASP B 1 462 ? 8.023 4.705 1.408 1.00 17.56 ? 462 ASP B N 1 ATOM 8702 C CA . ASP B 1 462 ? 6.631 4.495 1.798 1.00 17.30 ? 462 ASP B CA 1 ATOM 8703 C C . ASP B 1 462 ? 6.036 5.707 2.509 1.00 17.14 ? 462 ASP B C 1 ATOM 8704 O O . ASP B 1 462 ? 4.855 5.997 2.350 1.00 16.84 ? 462 ASP B O 1 ATOM 8705 C CB . ASP B 1 462 ? 6.471 3.227 2.631 1.00 18.03 ? 462 ASP B CB 1 ATOM 8706 C CG . ASP B 1 462 ? 6.513 1.960 1.774 1.00 19.16 ? 462 ASP B CG 1 ATOM 8707 O OD1 . ASP B 1 462 ? 6.621 2.074 0.525 1.00 19.62 ? 462 ASP B OD1 1 ATOM 8708 O OD2 . ASP B 1 462 ? 6.481 0.853 2.343 1.00 19.29 ? 462 ASP B OD2 1 ATOM 8709 N N . TRP B 1 463 ? 6.867 6.417 3.269 1.00 16.35 ? 463 TRP B N 1 ATOM 8710 C CA . TRP B 1 463 ? 6.454 7.667 3.916 1.00 16.36 ? 463 TRP B CA 1 ATOM 8711 C C . TRP B 1 463 ? 5.993 8.670 2.853 1.00 16.42 ? 463 TRP B C 1 ATOM 8712 O O . TRP B 1 463 ? 4.869 9.187 2.918 1.00 15.85 ? 463 TRP B O 1 ATOM 8713 C CB . TRP B 1 463 ? 7.608 8.242 4.754 1.00 16.04 ? 463 TRP B CB 1 ATOM 8714 C CG . TRP B 1 463 ? 7.339 9.588 5.369 1.00 16.23 ? 463 TRP B CG 1 ATOM 8715 C CD1 . TRP B 1 463 ? 7.859 10.788 4.974 1.00 16.40 ? 463 TRP B CD1 1 ATOM 8716 C CD2 . TRP B 1 463 ? 6.496 9.863 6.497 1.00 16.26 ? 463 TRP B CD2 1 ATOM 8717 N NE1 . TRP B 1 463 ? 7.390 11.804 5.792 1.00 16.41 ? 463 TRP B NE1 1 ATOM 8718 C CE2 . TRP B 1 463 ? 6.551 11.257 6.734 1.00 16.40 ? 463 TRP B CE2 1 ATOM 8719 C CE3 . TRP B 1 463 ? 5.693 9.064 7.331 1.00 16.81 ? 463 TRP B CE3 1 ATOM 8720 C CZ2 . TRP B 1 463 ? 5.834 11.875 7.778 1.00 16.58 ? 463 TRP B CZ2 1 ATOM 8721 C CZ3 . TRP B 1 463 ? 4.982 9.683 8.384 1.00 16.39 ? 463 TRP B CZ3 1 ATOM 8722 C CH2 . TRP B 1 463 ? 5.057 11.076 8.581 1.00 16.64 ? 463 TRP B CH2 1 ATOM 8723 N N . TRP B 1 464 ? 6.838 8.905 1.851 1.00 16.76 ? 464 TRP B N 1 ATOM 8724 C CA . TRP B 1 464 ? 6.497 9.864 0.806 1.00 17.20 ? 464 TRP B CA 1 ATOM 8725 C C . TRP B 1 464 ? 5.375 9.402 -0.105 1.00 17.76 ? 464 TRP B C 1 ATOM 8726 O O . TRP B 1 464 ? 4.608 10.233 -0.567 1.00 18.46 ? 464 TRP B O 1 ATOM 8727 C CB . TRP B 1 464 ? 7.736 10.378 0.054 1.00 16.95 ? 464 TRP B CB 1 ATOM 8728 C CG . TRP B 1 464 ? 8.454 11.360 0.939 1.00 17.20 ? 464 TRP B CG 1 ATOM 8729 C CD1 . TRP B 1 464 ? 9.653 11.187 1.577 1.00 16.99 ? 464 TRP B CD1 1 ATOM 8730 C CD2 . TRP B 1 464 ? 7.966 12.644 1.340 1.00 17.15 ? 464 TRP B CD2 1 ATOM 8731 N NE1 . TRP B 1 464 ? 9.948 12.305 2.342 1.00 17.25 ? 464 TRP B NE1 1 ATOM 8732 C CE2 . TRP B 1 464 ? 8.930 13.211 2.207 1.00 17.56 ? 464 TRP B CE2 1 ATOM 8733 C CE3 . TRP B 1 464 ? 6.823 13.386 1.024 1.00 17.53 ? 464 TRP B CE3 1 ATOM 8734 C CZ2 . TRP B 1 464 ? 8.769 14.481 2.782 1.00 17.93 ? 464 TRP B CZ2 1 ATOM 8735 C CZ3 . TRP B 1 464 ? 6.663 14.660 1.598 1.00 18.09 ? 464 TRP B CZ3 1 ATOM 8736 C CH2 . TRP B 1 464 ? 7.634 15.185 2.467 1.00 17.79 ? 464 TRP B CH2 1 ATOM 8737 N N . TYR B 1 465 ? 5.265 8.088 -0.346 1.00 17.89 ? 465 TYR B N 1 ATOM 8738 C CA . TYR B 1 465 ? 4.084 7.546 -1.019 1.00 18.36 ? 465 TYR B CA 1 ATOM 8739 C C . TYR B 1 465 ? 2.816 8.009 -0.286 1.00 18.32 ? 465 TYR B C 1 ATOM 8740 O O . TYR B 1 465 ? 1.864 8.496 -0.906 1.00 18.43 ? 465 TYR B O 1 ATOM 8741 C CB . TYR B 1 465 ? 4.100 6.002 -1.106 1.00 18.30 ? 465 TYR B CB 1 ATOM 8742 C CG . TYR B 1 465 ? 2.774 5.463 -1.621 1.00 18.82 ? 465 TYR B CG 1 ATOM 8743 C CD1 . TYR B 1 465 ? 1.725 5.181 -0.745 1.00 18.92 ? 465 TYR B CD1 1 ATOM 8744 C CD2 . TYR B 1 465 ? 2.550 5.303 -2.994 1.00 19.33 ? 465 TYR B CD2 1 ATOM 8745 C CE1 . TYR B 1 465 ? 0.495 4.737 -1.210 1.00 19.29 ? 465 TYR B CE1 1 ATOM 8746 C CE2 . TYR B 1 465 ? 1.329 4.843 -3.470 1.00 19.49 ? 465 TYR B CE2 1 ATOM 8747 C CZ . TYR B 1 465 ? 0.299 4.565 -2.570 1.00 19.64 ? 465 TYR B CZ 1 ATOM 8748 O OH . TYR B 1 465 ? -0.930 4.120 -3.037 1.00 19.91 ? 465 TYR B OH 1 ATOM 8749 N N . LEU B 1 466 ? 2.800 7.847 1.032 1.00 18.50 ? 466 LEU B N 1 ATOM 8750 C CA . LEU B 1 466 ? 1.605 8.177 1.807 1.00 18.65 ? 466 LEU B CA 1 ATOM 8751 C C . LEU B 1 466 ? 1.373 9.686 1.880 1.00 18.49 ? 466 LEU B C 1 ATOM 8752 O O . LEU B 1 466 ? 0.246 10.156 1.728 1.00 18.87 ? 466 LEU B O 1 ATOM 8753 C CB . LEU B 1 466 ? 1.649 7.544 3.201 1.00 18.47 ? 466 LEU B CB 1 ATOM 8754 C CG . LEU B 1 466 ? 1.474 6.023 3.194 1.00 18.27 ? 466 LEU B CG 1 ATOM 8755 C CD1 . LEU B 1 466 ? 2.055 5.414 4.462 1.00 17.78 ? 466 LEU B CD1 1 ATOM 8756 C CD2 . LEU B 1 466 ? 0.011 5.642 3.031 1.00 18.66 ? 466 LEU B CD2 1 ATOM 8757 N N . ARG B 1 467 ? 2.437 10.443 2.076 1.00 18.27 ? 467 ARG B N 1 ATOM 8758 C CA . ARG B 1 467 ? 2.312 11.889 2.124 1.00 18.68 ? 467 ARG B CA 1 ATOM 8759 C C . ARG B 1 467 ? 1.734 12.447 0.834 1.00 18.76 ? 467 ARG B C 1 ATOM 8760 O O . ARG B 1 467 ? 0.878 13.324 0.860 1.00 18.93 ? 467 ARG B O 1 ATOM 8761 C CB . ARG B 1 467 ? 3.659 12.537 2.435 1.00 18.46 ? 467 ARG B CB 1 ATOM 8762 C CG . ARG B 1 467 ? 4.225 12.099 3.775 1.00 18.48 ? 467 ARG B CG 1 ATOM 8763 C CD . ARG B 1 467 ? 3.902 13.119 4.841 1.00 18.22 ? 467 ARG B CD 1 ATOM 8764 N NE . ARG B 1 467 ? 4.931 14.160 4.875 1.00 18.94 ? 467 ARG B NE 1 ATOM 8765 C CZ . ARG B 1 467 ? 4.775 15.332 5.476 1.00 19.18 ? 467 ARG B CZ 1 ATOM 8766 N NH1 . ARG B 1 467 ? 3.612 15.628 6.060 1.00 18.23 ? 467 ARG B NH1 1 ATOM 8767 N NH2 . ARG B 1 467 ? 5.775 16.212 5.470 1.00 19.36 ? 467 ARG B NH2 1 ATOM 8768 N N . THR B 1 468 ? 2.201 11.936 -0.299 1.00 18.89 ? 468 THR B N 1 ATOM 8769 C CA . THR B 1 468 ? 1.683 12.369 -1.582 1.00 18.90 ? 468 THR B CA 1 ATOM 8770 C C . THR B 1 468 ? 0.259 11.838 -1.785 1.00 19.14 ? 468 THR B C 1 ATOM 8771 O O . THR B 1 468 ? -0.621 12.586 -2.213 1.00 18.80 ? 468 THR B O 1 ATOM 8772 C CB . THR B 1 468 ? 2.622 11.943 -2.733 1.00 19.34 ? 468 THR B CB 1 ATOM 8773 O OG1 . THR B 1 468 ? 3.919 12.509 -2.497 1.00 19.10 ? 468 THR B OG1 1 ATOM 8774 C CG2 . THR B 1 468 ? 2.117 12.438 -4.069 1.00 19.61 ? 468 THR B CG2 1 ATOM 8775 N N . LYS B 1 469 ? 0.045 10.558 -1.478 1.00 18.98 ? 469 LYS B N 1 ATOM 8776 C CA . LYS B 1 469 ? -1.255 9.936 -1.655 1.00 18.87 ? 469 LYS B CA 1 ATOM 8777 C C . LYS B 1 469 ? -2.328 10.728 -0.907 1.00 19.23 ? 469 LYS B C 1 ATOM 8778 O O . LYS B 1 469 ? -3.348 11.073 -1.476 1.00 19.91 ? 469 LYS B O 1 ATOM 8779 C CB . LYS B 1 469 ? -1.264 8.491 -1.155 1.00 18.96 ? 469 LYS B CB 1 ATOM 8780 C CG . LYS B 1 469 ? -2.634 7.832 -1.330 1.00 18.99 ? 469 LYS B CG 1 ATOM 8781 C CD . LYS B 1 469 ? -2.677 6.405 -0.818 1.00 19.65 ? 469 LYS B CD 1 ATOM 8782 C CE . LYS B 1 469 ? -4.129 5.955 -0.670 1.00 20.26 ? 469 LYS B CE 1 ATOM 8783 N NZ . LYS B 1 469 ? -4.224 4.501 -0.367 1.00 20.32 ? 469 LYS B NZ 1 ATOM 8784 N N . TYR B 1 470 ? -2.062 11.032 0.359 1.00 19.18 ? 470 TYR B N 1 ATOM 8785 C CA . TYR B 1 470 ? -3.070 11.618 1.229 1.00 19.30 ? 470 TYR B CA 1 ATOM 8786 C C . TYR B 1 470 ? -3.069 13.125 1.272 1.00 18.95 ? 470 TYR B C 1 ATOM 8787 O O . TYR B 1 470 ? -4.116 13.751 1.084 1.00 19.69 ? 470 TYR B O 1 ATOM 8788 C CB . TYR B 1 470 ? -2.987 11.009 2.631 1.00 18.82 ? 470 TYR B CB 1 ATOM 8789 C CG . TYR B 1 470 ? -3.595 9.631 2.656 1.00 19.76 ? 470 TYR B CG 1 ATOM 8790 C CD1 . TYR B 1 470 ? -4.981 9.457 2.504 1.00 20.50 ? 470 TYR B CD1 1 ATOM 8791 C CD2 . TYR B 1 470 ? -2.793 8.493 2.789 1.00 20.21 ? 470 TYR B CD2 1 ATOM 8792 C CE1 . TYR B 1 470 ? -5.544 8.193 2.495 1.00 21.00 ? 470 TYR B CE1 1 ATOM 8793 C CE2 . TYR B 1 470 ? -3.350 7.220 2.778 1.00 20.65 ? 470 TYR B CE2 1 ATOM 8794 C CZ . TYR B 1 470 ? -4.726 7.084 2.647 1.00 21.23 ? 470 TYR B CZ 1 ATOM 8795 O OH . TYR B 1 470 ? -5.272 5.825 2.644 1.00 21.76 ? 470 TYR B OH 1 ATOM 8796 N N . GLN B 1 471 ? -1.905 13.719 1.519 1.00 18.05 ? 471 GLN B N 1 ATOM 8797 C CA . GLN B 1 471 ? -1.835 15.168 1.643 1.00 17.72 ? 471 GLN B CA 1 ATOM 8798 C C . GLN B 1 471 ? -1.618 15.907 0.323 1.00 17.73 ? 471 GLN B C 1 ATOM 8799 O O . GLN B 1 471 ? -1.907 17.099 0.224 1.00 18.11 ? 471 GLN B O 1 ATOM 8800 C CB . GLN B 1 471 ? -0.725 15.556 2.622 1.00 17.11 ? 471 GLN B CB 1 ATOM 8801 C CG . GLN B 1 471 ? -1.000 15.253 4.084 1.00 16.33 ? 471 GLN B CG 1 ATOM 8802 C CD . GLN B 1 471 ? 0.175 15.699 4.931 1.00 16.23 ? 471 GLN B CD 1 ATOM 8803 O OE1 . GLN B 1 471 ? 1.166 14.972 5.064 1.00 16.07 ? 471 GLN B OE1 1 ATOM 8804 N NE2 . GLN B 1 471 ? 0.098 16.916 5.465 1.00 15.60 ? 471 GLN B NE2 1 ATOM 8805 N N . GLY B 1 472 ? -1.082 15.231 -0.688 1.00 18.03 ? 472 GLY B N 1 ATOM 8806 C CA . GLY B 1 472 ? -0.832 15.918 -1.963 1.00 18.09 ? 472 GLY B CA 1 ATOM 8807 C C . GLY B 1 472 ? 0.287 16.924 -1.835 1.00 18.54 ? 472 GLY B C 1 ATOM 8808 O O . GLY B 1 472 ? 0.202 18.044 -2.338 1.00 18.99 ? 472 GLY B O 1 ATOM 8809 N N . ILE B 1 473 ? 1.333 16.518 -1.135 1.00 17.79 ? 473 ILE B N 1 ATOM 8810 C CA . ILE B 1 473 ? 2.520 17.347 -0.977 1.00 18.98 ? 473 ILE B CA 1 ATOM 8811 C C . ILE B 1 473 ? 3.724 16.577 -1.512 1.00 19.34 ? 473 ILE B C 1 ATOM 8812 O O . ILE B 1 473 ? 3.656 15.367 -1.721 1.00 19.58 ? 473 ILE B O 1 ATOM 8813 C CB . ILE B 1 473 ? 2.728 17.791 0.488 1.00 17.91 ? 473 ILE B CB 1 ATOM 8814 C CG1 . ILE B 1 473 ? 2.851 16.582 1.425 1.00 17.28 ? 473 ILE B CG1 1 ATOM 8815 C CG2 . ILE B 1 473 ? 1.588 18.720 0.918 1.00 18.31 ? 473 ILE B CG2 1 ATOM 8816 C CD1 . ILE B 1 473 ? 3.059 16.958 2.886 1.00 17.22 ? 473 ILE B CD1 1 ATOM 8817 N N . CYS B 1 474 ? 4.818 17.280 -1.746 1.00 20.45 ? 474 CYS B N 1 ATOM 8818 C CA . CYS B 1 474 ? 6.036 16.637 -2.210 1.00 21.07 ? 474 CYS B CA 1 ATOM 8819 C C . CYS B 1 474 ? 7.192 17.280 -1.465 1.00 21.33 ? 474 CYS B C 1 ATOM 8820 O O . CYS B 1 474 ? 7.086 18.442 -1.066 1.00 20.92 ? 474 CYS B O 1 ATOM 8821 C CB . CYS B 1 474 ? 6.186 16.823 -3.728 1.00 21.78 ? 474 CYS B CB 1 ATOM 8822 S SG . CYS B 1 474 ? 6.161 18.561 -4.236 1.00 22.93 ? 474 CYS B SG 1 ATOM 8823 N N . PRO B 1 475 ? 8.293 16.526 -1.258 1.00 21.65 ? 475 PRO B N 1 ATOM 8824 C CA . PRO B 1 475 ? 9.442 17.137 -0.598 1.00 21.81 ? 475 PRO B CA 1 ATOM 8825 C C . PRO B 1 475 ? 10.063 18.184 -1.515 1.00 22.55 ? 475 PRO B C 1 ATOM 8826 O O . PRO B 1 475 ? 10.144 17.978 -2.735 1.00 22.69 ? 475 PRO B O 1 ATOM 8827 C CB . PRO B 1 475 ? 10.392 15.967 -0.361 1.00 21.56 ? 475 PRO B CB 1 ATOM 8828 C CG . PRO B 1 475 ? 9.998 14.934 -1.364 1.00 22.27 ? 475 PRO B CG 1 ATOM 8829 C CD . PRO B 1 475 ? 8.529 15.109 -1.595 1.00 21.84 ? 475 PRO B CD 1 ATOM 8830 N N . PRO B 1 476 ? 10.458 19.322 -0.936 1.00 23.09 ? 476 PRO B N 1 ATOM 8831 C CA . PRO B 1 476 ? 10.959 20.430 -1.742 1.00 24.18 ? 476 PRO B CA 1 ATOM 8832 C C . PRO B 1 476 ? 12.431 20.257 -2.115 1.00 25.42 ? 476 PRO B C 1 ATOM 8833 O O . PRO B 1 476 ? 12.958 21.030 -2.929 1.00 26.97 ? 476 PRO B O 1 ATOM 8834 C CB . PRO B 1 476 ? 10.739 21.640 -0.836 1.00 23.78 ? 476 PRO B CB 1 ATOM 8835 C CG . PRO B 1 476 ? 10.793 21.091 0.552 1.00 23.29 ? 476 PRO B CG 1 ATOM 8836 C CD . PRO B 1 476 ? 10.242 19.698 0.475 1.00 22.95 ? 476 PRO B CD 1 ATOM 8837 N N . VAL B 1 477 ? 13.088 19.274 -1.499 1.00 24.82 ? 477 VAL B N 1 ATOM 8838 C CA . VAL B 1 477 ? 14.398 18.799 -1.945 1.00 25.39 ? 477 VAL B CA 1 ATOM 8839 C C . VAL B 1 477 ? 14.327 17.293 -2.182 1.00 24.93 ? 477 VAL B C 1 ATOM 8840 O O . VAL B 1 477 ? 13.414 16.613 -1.688 1.00 23.49 ? 477 VAL B O 1 ATOM 8841 C CB . VAL B 1 477 ? 15.538 19.126 -0.946 1.00 25.83 ? 477 VAL B CB 1 ATOM 8842 C CG1 . VAL B 1 477 ? 15.813 20.617 -0.930 1.00 26.45 ? 477 VAL B CG1 1 ATOM 8843 C CG2 . VAL B 1 477 ? 15.218 18.613 0.456 1.00 25.02 ? 477 VAL B CG2 1 ATOM 8844 N N . THR B 1 478 ? 15.275 16.783 -2.961 1.00 24.77 ? 478 THR B N 1 ATOM 8845 C CA . THR B 1 478 ? 15.399 15.348 -3.210 1.00 25.00 ? 478 THR B CA 1 ATOM 8846 C C . THR B 1 478 ? 15.633 14.603 -1.896 1.00 24.49 ? 478 THR B C 1 ATOM 8847 O O . THR B 1 478 ? 16.392 15.056 -1.039 1.00 24.79 ? 478 THR B O 1 ATOM 8848 C CB . THR B 1 478 ? 16.541 15.092 -4.219 1.00 25.78 ? 478 THR B CB 1 ATOM 8849 O OG1 . THR B 1 478 ? 16.302 15.902 -5.370 1.00 26.64 ? 478 THR B OG1 1 ATOM 8850 C CG2 . THR B 1 478 ? 16.609 13.617 -4.653 1.00 26.08 ? 478 THR B CG2 1 ATOM 8851 N N . ARG B 1 479 ? 14.929 13.491 -1.716 1.00 24.33 ? 479 ARG B N 1 ATOM 8852 C CA . ARG B 1 479 ? 15.136 12.620 -0.567 1.00 23.62 ? 479 ARG B CA 1 ATOM 8853 C C . ARG B 1 479 ? 15.540 11.227 -1.058 1.00 24.11 ? 479 ARG B C 1 ATOM 8854 O O . ARG B 1 479 ? 15.170 10.815 -2.160 1.00 24.02 ? 479 ARG B O 1 ATOM 8855 C CB . ARG B 1 479 ? 13.870 12.524 0.301 1.00 22.69 ? 479 ARG B CB 1 ATOM 8856 C CG . ARG B 1 479 ? 13.134 13.843 0.543 1.00 22.72 ? 479 ARG B CG 1 ATOM 8857 C CD . ARG B 1 479 ? 14.018 14.891 1.210 1.00 22.53 ? 479 ARG B CD 1 ATOM 8858 N NE . ARG B 1 479 ? 14.250 14.629 2.629 1.00 22.58 ? 479 ARG B NE 1 ATOM 8859 C CZ . ARG B 1 479 ? 15.296 15.097 3.310 1.00 22.69 ? 479 ARG B CZ 1 ATOM 8860 N NH1 . ARG B 1 479 ? 16.229 15.819 2.689 1.00 22.78 ? 479 ARG B NH1 1 ATOM 8861 N NH2 . ARG B 1 479 ? 15.421 14.836 4.606 1.00 22.25 ? 479 ARG B NH2 1 ATOM 8862 N N . ASN B 1 480 ? 16.301 10.513 -0.238 1.00 23.74 ? 480 ASN B N 1 ATOM 8863 C CA . ASN B 1 480 ? 16.633 9.125 -0.526 1.00 24.80 ? 480 ASN B CA 1 ATOM 8864 C C . ASN B 1 480 ? 16.549 8.334 0.771 1.00 24.13 ? 480 ASN B C 1 ATOM 8865 O O . ASN B 1 480 ? 16.104 8.879 1.783 1.00 23.65 ? 480 ASN B O 1 ATOM 8866 C CB . ASN B 1 480 ? 18.001 9.023 -1.213 1.00 26.61 ? 480 ASN B CB 1 ATOM 8867 C CG . ASN B 1 480 ? 19.142 9.501 -0.345 1.00 28.98 ? 480 ASN B CG 1 ATOM 8868 O OD1 . ASN B 1 480 ? 19.180 9.247 0.860 1.00 27.83 ? 480 ASN B OD1 1 ATOM 8869 N ND2 . ASN B 1 480 ? 20.100 10.186 -0.964 1.00 33.88 ? 480 ASN B ND2 1 ATOM 8870 N N . GLU B 1 481 ? 16.958 7.071 0.768 1.00 24.01 ? 481 GLU B N 1 ATOM 8871 C CA . GLU B 1 481 ? 16.733 6.234 1.954 1.00 24.70 ? 481 GLU B CA 1 ATOM 8872 C C . GLU B 1 481 ? 17.669 6.464 3.141 1.00 25.54 ? 481 GLU B C 1 ATOM 8873 O O . GLU B 1 481 ? 17.500 5.842 4.208 1.00 25.86 ? 481 GLU B O 1 ATOM 8874 C CB . GLU B 1 481 ? 16.682 4.748 1.589 1.00 24.69 ? 481 GLU B CB 1 ATOM 8875 C CG . GLU B 1 481 ? 15.390 4.329 0.907 1.00 24.51 ? 481 GLU B CG 1 ATOM 8876 C CD . GLU B 1 481 ? 14.124 4.563 1.733 1.00 24.50 ? 481 GLU B CD 1 ATOM 8877 O OE1 . GLU B 1 481 ? 14.173 4.800 2.962 1.00 25.20 ? 481 GLU B OE1 1 ATOM 8878 O OE2 . GLU B 1 481 ? 13.050 4.485 1.135 1.00 24.05 ? 481 GLU B OE2 1 ATOM 8879 N N . THR B 1 482 ? 18.633 7.361 2.967 1.00 25.86 ? 482 THR B N 1 ATOM 8880 C CA . THR B 1 482 ? 19.450 7.816 4.093 1.00 26.37 ? 482 THR B CA 1 ATOM 8881 C C . THR B 1 482 ? 18.600 8.723 4.987 1.00 25.10 ? 482 THR B C 1 ATOM 8882 O O . THR B 1 482 ? 18.714 8.677 6.214 1.00 25.54 ? 482 THR B O 1 ATOM 8883 C CB . THR B 1 482 ? 20.733 8.523 3.630 1.00 27.05 ? 482 THR B CB 1 ATOM 8884 O OG1 . THR B 1 482 ? 21.499 7.617 2.822 1.00 28.69 ? 482 THR B OG1 1 ATOM 8885 C CG2 . THR B 1 482 ? 21.573 8.939 4.818 1.00 28.71 ? 482 THR B CG2 1 ATOM 8886 N N . HIS B 1 483 ? 17.737 9.523 4.365 1.00 23.71 ? 483 HIS B N 1 ATOM 8887 C CA . HIS B 1 483 ? 16.781 10.342 5.105 1.00 22.46 ? 483 HIS B CA 1 ATOM 8888 C C . HIS B 1 483 ? 15.708 9.489 5.752 1.00 21.73 ? 483 HIS B C 1 ATOM 8889 O O . HIS B 1 483 ? 15.359 8.430 5.245 1.00 22.05 ? 483 HIS B O 1 ATOM 8890 C CB . HIS B 1 483 ? 16.165 11.395 4.197 1.00 22.06 ? 483 HIS B CB 1 ATOM 8891 C CG . HIS B 1 483 ? 17.187 12.215 3.489 1.00 22.75 ? 483 HIS B CG 1 ATOM 8892 N ND1 . HIS B 1 483 ? 17.379 12.154 2.127 1.00 22.36 ? 483 HIS B ND1 1 ATOM 8893 C CD2 . HIS B 1 483 ? 18.123 13.069 3.967 1.00 23.05 ? 483 HIS B CD2 1 ATOM 8894 C CE1 . HIS B 1 483 ? 18.367 12.965 1.790 1.00 23.38 ? 483 HIS B CE1 1 ATOM 8895 N NE2 . HIS B 1 483 ? 18.839 13.528 2.889 1.00 23.31 ? 483 HIS B NE2 1 ATOM 8896 N N . PHE B 1 484 ? 15.221 9.933 6.898 1.00 20.51 ? 484 PHE B N 1 ATOM 8897 C CA . PHE B 1 484 ? 14.186 9.201 7.613 1.00 19.59 ? 484 PHE B CA 1 ATOM 8898 C C . PHE B 1 484 ? 13.194 10.261 8.065 1.00 18.79 ? 484 PHE B C 1 ATOM 8899 O O . PHE B 1 484 ? 13.160 10.653 9.237 1.00 18.79 ? 484 PHE B O 1 ATOM 8900 C CB . PHE B 1 484 ? 14.825 8.428 8.774 1.00 20.15 ? 484 PHE B CB 1 ATOM 8901 C CG . PHE B 1 484 ? 13.841 7.755 9.683 1.00 20.23 ? 484 PHE B CG 1 ATOM 8902 C CD1 . PHE B 1 484 ? 12.708 7.115 9.169 1.00 20.11 ? 484 PHE B CD1 1 ATOM 8903 C CD2 . PHE B 1 484 ? 14.056 7.744 11.052 1.00 19.99 ? 484 PHE B CD2 1 ATOM 8904 C CE1 . PHE B 1 484 ? 11.812 6.498 10.015 1.00 20.54 ? 484 PHE B CE1 1 ATOM 8905 C CE2 . PHE B 1 484 ? 13.160 7.119 11.906 1.00 20.59 ? 484 PHE B CE2 1 ATOM 8906 C CZ . PHE B 1 484 ? 12.036 6.503 11.385 1.00 20.37 ? 484 PHE B CZ 1 ATOM 8907 N N . ASP B 1 485 ? 12.417 10.745 7.101 1.00 18.26 ? 485 ASP B N 1 ATOM 8908 C CA . ASP B 1 485 ? 11.575 11.934 7.288 1.00 18.14 ? 485 ASP B CA 1 ATOM 8909 C C . ASP B 1 485 ? 10.445 11.709 8.289 1.00 18.04 ? 485 ASP B C 1 ATOM 8910 O O . ASP B 1 485 ? 10.014 12.639 8.949 1.00 17.87 ? 485 ASP B O 1 ATOM 8911 C CB . ASP B 1 485 ? 11.080 12.480 5.932 1.00 17.74 ? 485 ASP B CB 1 ATOM 8912 C CG . ASP B 1 485 ? 12.235 13.049 5.078 1.00 18.46 ? 485 ASP B CG 1 ATOM 8913 O OD1 . ASP B 1 485 ? 13.189 13.599 5.676 1.00 18.64 ? 485 ASP B OD1 1 ATOM 8914 O OD2 . ASP B 1 485 ? 12.195 12.955 3.829 1.00 18.21 ? 485 ASP B OD2 1 ATOM 8915 N N . ALA B 1 486 ? 10.003 10.464 8.436 1.00 18.24 ? 486 ALA B N 1 ATOM 8916 C CA . ALA B 1 486 ? 8.976 10.134 9.439 1.00 17.81 ? 486 ALA B CA 1 ATOM 8917 C C . ALA B 1 486 ? 9.503 10.397 10.848 1.00 17.97 ? 486 ALA B C 1 ATOM 8918 O O . ALA B 1 486 ? 8.744 10.766 11.759 1.00 17.80 ? 486 ALA B O 1 ATOM 8919 C CB . ALA B 1 486 ? 8.557 8.681 9.305 1.00 17.88 ? 486 ALA B CB 1 ATOM 8920 N N . GLY B 1 487 ? 10.807 10.198 11.024 1.00 17.80 ? 487 GLY B N 1 ATOM 8921 C CA . GLY B 1 487 ? 11.447 10.363 12.324 1.00 17.58 ? 487 GLY B CA 1 ATOM 8922 C C . GLY B 1 487 ? 11.558 11.805 12.774 1.00 17.25 ? 487 GLY B C 1 ATOM 8923 O O . GLY B 1 487 ? 11.781 12.061 13.952 1.00 17.37 ? 487 GLY B O 1 ATOM 8924 N N . ALA B 1 488 ? 11.385 12.740 11.833 1.00 16.88 ? 488 ALA B N 1 ATOM 8925 C CA . ALA B 1 488 ? 11.344 14.175 12.120 1.00 16.58 ? 488 ALA B CA 1 ATOM 8926 C C . ALA B 1 488 ? 9.999 14.666 12.661 1.00 16.23 ? 488 ALA B C 1 ATOM 8927 O O . ALA B 1 488 ? 9.794 15.862 12.813 1.00 16.16 ? 488 ALA B O 1 ATOM 8928 C CB . ALA B 1 488 ? 11.726 14.972 10.874 1.00 16.63 ? 488 ALA B CB 1 ATOM 8929 N N . LYS B 1 489 ? 9.087 13.736 12.926 1.00 16.30 ? 489 LYS B N 1 ATOM 8930 C CA . LYS B 1 489 ? 7.792 14.048 13.533 1.00 16.44 ? 489 LYS B CA 1 ATOM 8931 C C . LYS B 1 489 ? 7.793 13.440 14.924 1.00 16.59 ? 489 LYS B C 1 ATOM 8932 O O . LYS B 1 489 ? 7.963 12.227 15.048 1.00 17.00 ? 489 LYS B O 1 ATOM 8933 C CB . LYS B 1 489 ? 6.654 13.474 12.671 1.00 16.64 ? 489 LYS B CB 1 ATOM 8934 C CG . LYS B 1 489 ? 5.253 13.577 13.297 1.00 16.69 ? 489 LYS B CG 1 ATOM 8935 C CD . LYS B 1 489 ? 4.836 15.041 13.445 1.00 17.22 ? 489 LYS B CD 1 ATOM 8936 C CE . LYS B 1 489 ? 3.604 15.181 14.333 1.00 18.17 ? 489 LYS B CE 1 ATOM 8937 N NZ . LYS B 1 489 ? 3.322 16.596 14.706 1.00 17.95 ? 489 LYS B NZ 1 ATOM 8938 N N . PHE B 1 490 ? 7.618 14.279 15.953 1.00 16.39 ? 490 PHE B N 1 ATOM 8939 C CA . PHE B 1 490 ? 7.697 13.895 17.386 1.00 16.43 ? 490 PHE B CA 1 ATOM 8940 C C . PHE B 1 490 ? 7.269 12.482 17.735 1.00 16.52 ? 490 PHE B C 1 ATOM 8941 O O . PHE B 1 490 ? 8.035 11.709 18.310 1.00 16.84 ? 490 PHE B O 1 ATOM 8942 C CB . PHE B 1 490 ? 6.891 14.876 18.273 1.00 16.30 ? 490 PHE B CB 1 ATOM 8943 C CG . PHE B 1 490 ? 6.872 14.494 19.737 1.00 16.80 ? 490 PHE B CG 1 ATOM 8944 C CD1 . PHE B 1 490 ? 7.900 14.892 20.589 1.00 16.70 ? 490 PHE B CD1 1 ATOM 8945 C CD2 . PHE B 1 490 ? 5.847 13.718 20.256 1.00 16.35 ? 490 PHE B CD2 1 ATOM 8946 C CE1 . PHE B 1 490 ? 7.893 14.527 21.936 1.00 17.23 ? 490 PHE B CE1 1 ATOM 8947 C CE2 . PHE B 1 490 ? 5.843 13.337 21.594 1.00 17.04 ? 490 PHE B CE2 1 ATOM 8948 C CZ . PHE B 1 490 ? 6.868 13.754 22.437 1.00 16.69 ? 490 PHE B CZ 1 ATOM 8949 N N . HIS B 1 491 ? 6.027 12.155 17.394 1.00 15.88 ? 491 HIS B N 1 ATOM 8950 C CA . HIS B 1 491 ? 5.394 10.913 17.838 1.00 15.63 ? 491 HIS B CA 1 ATOM 8951 C C . HIS B 1 491 ? 6.097 9.650 17.367 1.00 15.66 ? 491 HIS B C 1 ATOM 8952 O O . HIS B 1 491 ? 5.917 8.589 17.959 1.00 15.61 ? 491 HIS B O 1 ATOM 8953 C CB . HIS B 1 491 ? 3.928 10.905 17.400 1.00 15.48 ? 491 HIS B CB 1 ATOM 8954 C CG . HIS B 1 491 ? 3.183 12.131 17.821 1.00 15.55 ? 491 HIS B CG 1 ATOM 8955 N ND1 . HIS B 1 491 ? 2.156 12.104 18.747 1.00 15.69 ? 491 HIS B ND1 1 ATOM 8956 C CD2 . HIS B 1 491 ? 3.331 13.423 17.460 1.00 15.30 ? 491 HIS B CD2 1 ATOM 8957 C CE1 . HIS B 1 491 ? 1.715 13.333 18.946 1.00 15.48 ? 491 HIS B CE1 1 ATOM 8958 N NE2 . HIS B 1 491 ? 2.405 14.151 18.176 1.00 16.44 ? 491 HIS B NE2 1 ATOM 8959 N N . VAL B 1 492 ? 6.928 9.766 16.334 1.00 15.61 ? 492 VAL B N 1 ATOM 8960 C CA . VAL B 1 492 ? 7.631 8.593 15.812 1.00 16.05 ? 492 VAL B CA 1 ATOM 8961 C C . VAL B 1 492 ? 8.784 8.155 16.751 1.00 16.53 ? 492 VAL B C 1 ATOM 8962 O O . VAL B 1 492 ? 8.728 7.073 17.326 1.00 16.25 ? 492 VAL B O 1 ATOM 8963 C CB . VAL B 1 492 ? 8.032 8.771 14.318 1.00 16.01 ? 492 VAL B CB 1 ATOM 8964 C CG1 . VAL B 1 492 ? 8.971 7.658 13.852 1.00 15.94 ? 492 VAL B CG1 1 ATOM 8965 C CG2 . VAL B 1 492 ? 6.777 8.789 13.429 1.00 15.56 ? 492 VAL B CG2 1 ATOM 8966 N N . PRO B 1 493 ? 9.806 9.010 16.952 1.00 17.13 ? 493 PRO B N 1 ATOM 8967 C CA . PRO B 1 493 ? 10.837 8.586 17.920 1.00 18.28 ? 493 PRO B CA 1 ATOM 8968 C C . PRO B 1 493 ? 10.344 8.477 19.378 1.00 19.64 ? 493 PRO B C 1 ATOM 8969 O O . PRO B 1 493 ? 10.955 7.764 20.190 1.00 20.27 ? 493 PRO B O 1 ATOM 8970 C CB . PRO B 1 493 ? 11.898 9.686 17.804 1.00 17.63 ? 493 PRO B CB 1 ATOM 8971 C CG . PRO B 1 493 ? 11.184 10.858 17.201 1.00 17.45 ? 493 PRO B CG 1 ATOM 8972 C CD . PRO B 1 493 ? 10.180 10.259 16.267 1.00 16.86 ? 493 PRO B CD 1 ATOM 8973 N N . ASN B 1 494 ? 9.266 9.181 19.711 1.00 20.42 ? 494 ASN B N 1 ATOM 8974 C CA . ASN B 1 494 ? 8.683 9.097 21.048 1.00 21.80 ? 494 ASN B CA 1 ATOM 8975 C C . ASN B 1 494 ? 7.626 8.019 21.150 1.00 22.93 ? 494 ASN B C 1 ATOM 8976 O O . ASN B 1 494 ? 6.860 7.951 22.118 1.00 23.46 ? 494 ASN B O 1 ATOM 8977 C CB . ASN B 1 494 ? 8.167 10.468 21.476 1.00 21.79 ? 494 ASN B CB 1 ATOM 8978 C CG . ASN B 1 494 ? 9.307 11.428 21.748 1.00 22.66 ? 494 ASN B CG 1 ATOM 8979 O OD1 . ASN B 1 494 ? 9.893 11.408 22.827 1.00 24.35 ? 494 ASN B OD1 1 ATOM 8980 N ND2 . ASN B 1 494 ? 9.657 12.237 20.761 1.00 22.08 ? 494 ASN B ND2 1 ATOM 8981 N N . VAL B 1 495 ? 7.607 7.174 20.124 1.00 24.28 ? 495 VAL B N 1 ATOM 8982 C CA . VAL B 1 495 ? 6.886 5.905 20.108 1.00 24.83 ? 495 VAL B CA 1 ATOM 8983 C C . VAL B 1 495 ? 5.472 5.987 20.696 1.00 24.81 ? 495 VAL B C 1 ATOM 8984 O O . VAL B 1 495 ? 5.078 5.169 21.519 1.00 25.94 ? 495 VAL B O 1 ATOM 8985 C CB . VAL B 1 495 ? 7.758 4.771 20.735 1.00 25.99 ? 495 VAL B CB 1 ATOM 8986 C CG1 . VAL B 1 495 ? 9.131 4.766 20.093 1.00 26.35 ? 495 VAL B CG1 1 ATOM 8987 C CG2 . VAL B 1 495 ? 7.938 4.938 22.237 1.00 27.32 ? 495 VAL B CG2 1 ATOM 8988 N N . THR B 1 496 ? 4.710 6.985 20.265 1.00 22.95 ? 496 THR B N 1 ATOM 8989 C CA . THR B 1 496 ? 3.348 7.157 20.752 1.00 22.48 ? 496 THR B CA 1 ATOM 8990 C C . THR B 1 496 ? 2.410 7.249 19.538 1.00 20.67 ? 496 THR B C 1 ATOM 8991 O O . THR B 1 496 ? 2.735 7.925 18.564 1.00 21.43 ? 496 THR B O 1 ATOM 8992 C CB . THR B 1 496 ? 3.238 8.368 21.718 1.00 22.72 ? 496 THR B CB 1 ATOM 8993 O OG1 . THR B 1 496 ? 1.882 8.538 22.149 1.00 23.77 ? 496 THR B OG1 1 ATOM 8994 C CG2 . THR B 1 496 ? 3.725 9.655 21.051 1.00 21.86 ? 496 THR B CG2 1 ATOM 8995 N N . PRO B 1 497 ? 1.265 6.546 19.584 1.00 19.62 ? 497 PRO B N 1 ATOM 8996 C CA . PRO B 1 497 ? 0.417 6.342 18.392 1.00 19.74 ? 497 PRO B CA 1 ATOM 8997 C C . PRO B 1 497 ? -0.261 7.612 17.898 1.00 19.24 ? 497 PRO B C 1 ATOM 8998 O O . PRO B 1 497 ? -0.440 8.567 18.670 1.00 18.43 ? 497 PRO B O 1 ATOM 8999 C CB . PRO B 1 497 ? -0.654 5.344 18.868 1.00 19.66 ? 497 PRO B CB 1 ATOM 9000 C CG . PRO B 1 497 ? -0.184 4.839 20.200 1.00 20.05 ? 497 PRO B CG 1 ATOM 9001 C CD . PRO B 1 497 ? 0.675 5.924 20.782 1.00 20.18 ? 497 PRO B CD 1 ATOM 9002 N N . TYR B 1 498 ? -0.693 7.587 16.639 1.00 18.80 ? 498 TYR B N 1 ATOM 9003 C CA . TYR B 1 498 ? -1.204 8.792 15.999 1.00 18.04 ? 498 TYR B CA 1 ATOM 9004 C C . TYR B 1 498 ? -2.673 8.730 15.607 1.00 18.88 ? 498 TYR B C 1 ATOM 9005 O O . TYR B 1 498 ? -3.331 9.773 15.485 1.00 18.96 ? 498 TYR B O 1 ATOM 9006 C CB . TYR B 1 498 ? -0.342 9.159 14.783 1.00 17.22 ? 498 TYR B CB 1 ATOM 9007 C CG . TYR B 1 498 ? -0.251 10.655 14.595 1.00 16.99 ? 498 TYR B CG 1 ATOM 9008 C CD1 . TYR B 1 498 ? 0.563 11.432 15.429 1.00 16.65 ? 498 TYR B CD1 1 ATOM 9009 C CD2 . TYR B 1 498 ? -0.983 11.289 13.604 1.00 16.56 ? 498 TYR B CD2 1 ATOM 9010 C CE1 . TYR B 1 498 ? 0.638 12.811 15.278 1.00 16.46 ? 498 TYR B CE1 1 ATOM 9011 C CE2 . TYR B 1 498 ? -0.917 12.661 13.432 1.00 16.59 ? 498 TYR B CE2 1 ATOM 9012 C CZ . TYR B 1 498 ? -0.104 13.419 14.267 1.00 16.52 ? 498 TYR B CZ 1 ATOM 9013 O OH . TYR B 1 498 ? -0.044 14.775 14.087 1.00 16.24 ? 498 TYR B OH 1 ATOM 9014 N N . ILE B 1 499 ? -3.187 7.518 15.386 1.00 18.81 ? 499 ILE B N 1 ATOM 9015 C CA . ILE B 1 499 ? -4.549 7.360 14.870 1.00 19.37 ? 499 ILE B CA 1 ATOM 9016 C C . ILE B 1 499 ? -5.608 7.972 15.803 1.00 19.52 ? 499 ILE B C 1 ATOM 9017 O O . ILE B 1 499 ? -6.682 8.362 15.341 1.00 20.38 ? 499 ILE B O 1 ATOM 9018 C CB . ILE B 1 499 ? -4.880 5.893 14.486 1.00 19.51 ? 499 ILE B CB 1 ATOM 9019 C CG1 . ILE B 1 499 ? -6.117 5.840 13.567 1.00 19.52 ? 499 ILE B CG1 1 ATOM 9020 C CG2 . ILE B 1 499 ? -5.055 5.029 15.726 1.00 19.92 ? 499 ILE B CG2 1 ATOM 9021 C CD1 . ILE B 1 499 ? -5.868 6.322 12.148 1.00 20.07 ? 499 ILE B CD1 1 ATOM 9022 N N . ARG B 1 500 ? -5.276 8.083 17.094 1.00 19.31 ? 500 ARG B N 1 ATOM 9023 C CA . ARG B 1 500 ? -6.096 8.808 18.075 1.00 18.96 ? 500 ARG B CA 1 ATOM 9024 C C . ARG B 1 500 ? -6.476 10.211 17.591 1.00 18.33 ? 500 ARG B C 1 ATOM 9025 O O . ARG B 1 500 ? -7.555 10.723 17.919 1.00 17.86 ? 500 ARG B O 1 ATOM 9026 C CB . ARG B 1 500 ? -5.380 8.886 19.419 1.00 19.41 ? 500 ARG B CB 1 ATOM 9027 C CG . ARG B 1 500 ? -4.002 9.555 19.350 1.00 20.07 ? 500 ARG B CG 1 ATOM 9028 C CD . ARG B 1 500 ? -3.229 9.425 20.657 1.00 21.17 ? 500 ARG B CD 1 ATOM 9029 N NE . ARG B 1 500 ? -3.146 8.026 21.083 1.00 21.31 ? 500 ARG B NE 1 ATOM 9030 C CZ . ARG B 1 500 ? -2.597 7.628 22.226 1.00 21.70 ? 500 ARG B CZ 1 ATOM 9031 N NH1 . ARG B 1 500 ? -2.080 8.520 23.070 1.00 21.74 ? 500 ARG B NH1 1 ATOM 9032 N NH2 . ARG B 1 500 ? -2.583 6.336 22.532 1.00 21.25 ? 500 ARG B NH2 1 ATOM 9033 N N . TYR B 1 501 ? -5.598 10.825 16.799 1.00 17.49 ? 501 TYR B N 1 ATOM 9034 C CA . TYR B 1 501 ? -5.831 12.185 16.349 1.00 17.40 ? 501 TYR B CA 1 ATOM 9035 C C . TYR B 1 501 ? -6.804 12.246 15.182 1.00 17.65 ? 501 TYR B C 1 ATOM 9036 O O . TYR B 1 501 ? -7.617 13.154 15.127 1.00 17.37 ? 501 TYR B O 1 ATOM 9037 C CB . TYR B 1 501 ? -4.515 12.895 16.016 1.00 17.58 ? 501 TYR B CB 1 ATOM 9038 C CG . TYR B 1 501 ? -3.553 12.986 17.172 1.00 17.12 ? 501 TYR B CG 1 ATOM 9039 C CD1 . TYR B 1 501 ? -3.893 13.697 18.333 1.00 17.38 ? 501 TYR B CD1 1 ATOM 9040 C CD2 . TYR B 1 501 ? -2.302 12.381 17.115 1.00 16.93 ? 501 TYR B CD2 1 ATOM 9041 C CE1 . TYR B 1 501 ? -3.004 13.803 19.396 1.00 17.13 ? 501 TYR B CE1 1 ATOM 9042 C CE2 . TYR B 1 501 ? -1.400 12.473 18.179 1.00 17.15 ? 501 TYR B CE2 1 ATOM 9043 C CZ . TYR B 1 501 ? -1.755 13.183 19.313 1.00 17.12 ? 501 TYR B CZ 1 ATOM 9044 O OH . TYR B 1 501 ? -0.874 13.299 20.369 1.00 17.43 ? 501 TYR B OH 1 ATOM 9045 N N . PHE B 1 502 ? -6.729 11.290 14.252 1.00 17.87 ? 502 PHE B N 1 ATOM 9046 C CA . PHE B 1 502 ? -7.767 11.180 13.216 1.00 19.29 ? 502 PHE B CA 1 ATOM 9047 C C . PHE B 1 502 ? -9.132 10.894 13.863 1.00 19.33 ? 502 PHE B C 1 ATOM 9048 O O . PHE B 1 502 ? -10.134 11.530 13.515 1.00 19.52 ? 502 PHE B O 1 ATOM 9049 C CB . PHE B 1 502 ? -7.460 10.095 12.163 1.00 19.67 ? 502 PHE B CB 1 ATOM 9050 C CG . PHE B 1 502 ? -8.502 10.007 11.076 1.00 21.07 ? 502 PHE B CG 1 ATOM 9051 C CD1 . PHE B 1 502 ? -8.549 10.964 10.055 1.00 21.27 ? 502 PHE B CD1 1 ATOM 9052 C CD2 . PHE B 1 502 ? -9.444 8.984 11.076 1.00 21.89 ? 502 PHE B CD2 1 ATOM 9053 C CE1 . PHE B 1 502 ? -9.522 10.898 9.060 1.00 21.98 ? 502 PHE B CE1 1 ATOM 9054 C CE2 . PHE B 1 502 ? -10.418 8.911 10.085 1.00 22.32 ? 502 PHE B CE2 1 ATOM 9055 C CZ . PHE B 1 502 ? -10.455 9.870 9.076 1.00 22.52 ? 502 PHE B CZ 1 ATOM 9056 N N . VAL B 1 503 ? -9.155 9.934 14.786 1.00 19.07 ? 503 VAL B N 1 ATOM 9057 C CA . VAL B 1 503 ? -10.366 9.623 15.551 1.00 20.31 ? 503 VAL B CA 1 ATOM 9058 C C . VAL B 1 503 ? -10.885 10.865 16.294 1.00 20.99 ? 503 VAL B C 1 ATOM 9059 O O . VAL B 1 503 ? -12.071 11.194 16.218 1.00 21.43 ? 503 VAL B O 1 ATOM 9060 C CB . VAL B 1 503 ? -10.165 8.444 16.528 1.00 20.35 ? 503 VAL B CB 1 ATOM 9061 C CG1 . VAL B 1 503 ? -11.418 8.211 17.372 1.00 21.05 ? 503 VAL B CG1 1 ATOM 9062 C CG2 . VAL B 1 503 ? -9.844 7.161 15.771 1.00 20.64 ? 503 VAL B CG2 1 ATOM 9063 N N . SER B 1 504 ? -9.984 11.564 16.981 1.00 20.52 ? 504 SER B N 1 ATOM 9064 C CA . SER B 1 504 ? -10.340 12.784 17.692 1.00 20.77 ? 504 SER B CA 1 ATOM 9065 C C . SER B 1 504 ? -10.975 13.852 16.801 1.00 20.83 ? 504 SER B C 1 ATOM 9066 O O . SER B 1 504 ? -11.889 14.546 17.231 1.00 22.13 ? 504 SER B O 1 ATOM 9067 C CB . SER B 1 504 ? -9.109 13.382 18.367 1.00 20.71 ? 504 SER B CB 1 ATOM 9068 O OG . SER B 1 504 ? -9.418 14.690 18.791 1.00 24.10 ? 504 SER B OG 1 ATOM 9069 N N . PHE B 1 505 ? -10.477 14.012 15.578 1.00 20.82 ? 505 PHE B N 1 ATOM 9070 C CA . PHE B 1 505 ? -10.944 15.093 14.724 1.00 21.83 ? 505 PHE B CA 1 ATOM 9071 C C . PHE B 1 505 ? -12.374 14.847 14.238 1.00 23.04 ? 505 PHE B C 1 ATOM 9072 O O . PHE B 1 505 ? -13.134 15.786 14.038 1.00 23.91 ? 505 PHE B O 1 ATOM 9073 C CB . PHE B 1 505 ? -9.960 15.363 13.572 1.00 21.92 ? 505 PHE B CB 1 ATOM 9074 C CG . PHE B 1 505 ? -8.925 16.395 13.900 1.00 22.12 ? 505 PHE B CG 1 ATOM 9075 C CD1 . PHE B 1 505 ? -8.154 16.284 15.058 1.00 22.08 ? 505 PHE B CD1 1 ATOM 9076 C CD2 . PHE B 1 505 ? -8.734 17.497 13.066 1.00 22.41 ? 505 PHE B CD2 1 ATOM 9077 C CE1 . PHE B 1 505 ? -7.198 17.237 15.378 1.00 22.35 ? 505 PHE B CE1 1 ATOM 9078 C CE2 . PHE B 1 505 ? -7.779 18.457 13.377 1.00 23.07 ? 505 PHE B CE2 1 ATOM 9079 C CZ . PHE B 1 505 ? -7.016 18.331 14.538 1.00 23.28 ? 505 PHE B CZ 1 ATOM 9080 N N . VAL B 1 506 ? -12.741 13.581 14.093 1.00 23.60 ? 506 VAL B N 1 ATOM 9081 C CA . VAL B 1 506 ? -14.114 13.216 13.726 1.00 24.77 ? 506 VAL B CA 1 ATOM 9082 C C . VAL B 1 506 ? -15.015 13.346 14.959 1.00 24.87 ? 506 VAL B C 1 ATOM 9083 O O . VAL B 1 506 ? -16.067 13.991 14.916 1.00 25.53 ? 506 VAL B O 1 ATOM 9084 C CB . VAL B 1 506 ? -14.168 11.775 13.181 1.00 25.19 ? 506 VAL B CB 1 ATOM 9085 C CG1 . VAL B 1 506 ? -15.606 11.368 12.884 1.00 26.18 ? 506 VAL B CG1 1 ATOM 9086 C CG2 . VAL B 1 506 ? -13.286 11.647 11.938 1.00 25.19 ? 506 VAL B CG2 1 ATOM 9087 N N . LEU B 1 507 ? -14.564 12.733 16.044 1.00 24.47 ? 507 LEU B N 1 ATOM 9088 C CA . LEU B 1 507 ? -15.235 12.717 17.338 1.00 25.24 ? 507 LEU B CA 1 ATOM 9089 C C . LEU B 1 507 ? -15.541 14.109 17.919 1.00 25.15 ? 507 LEU B C 1 ATOM 9090 O O . LEU B 1 507 ? -16.598 14.314 18.525 1.00 24.71 ? 507 LEU B O 1 ATOM 9091 C CB . LEU B 1 507 ? -14.359 11.931 18.306 1.00 25.35 ? 507 LEU B CB 1 ATOM 9092 C CG . LEU B 1 507 ? -14.879 10.981 19.374 1.00 27.06 ? 507 LEU B CG 1 ATOM 9093 C CD1 . LEU B 1 507 ? -16.160 10.241 18.951 1.00 26.91 ? 507 LEU B CD1 1 ATOM 9094 C CD2 . LEU B 1 507 ? -13.769 10.001 19.722 1.00 25.14 ? 507 LEU B CD2 1 ATOM 9095 N N . GLN B 1 508 ? -14.635 15.067 17.743 1.00 23.03 ? 508 GLN B N 1 ATOM 9096 C CA . GLN B 1 508 ? -14.860 16.397 18.334 1.00 22.81 ? 508 GLN B CA 1 ATOM 9097 C C . GLN B 1 508 ? -16.072 17.150 17.757 1.00 23.15 ? 508 GLN B C 1 ATOM 9098 O O . GLN B 1 508 ? -16.747 17.887 18.476 1.00 22.21 ? 508 GLN B O 1 ATOM 9099 C CB . GLN B 1 508 ? -13.595 17.259 18.307 1.00 21.82 ? 508 GLN B CB 1 ATOM 9100 C CG . GLN B 1 508 ? -13.076 17.644 16.928 1.00 21.26 ? 508 GLN B CG 1 ATOM 9101 C CD . GLN B 1 508 ? -11.727 18.334 17.014 1.00 20.90 ? 508 GLN B CD 1 ATOM 9102 O OE1 . GLN B 1 508 ? -11.607 19.520 16.712 1.00 21.27 ? 508 GLN B OE1 1 ATOM 9103 N NE2 . GLN B 1 508 ? -10.710 17.600 17.456 1.00 20.06 ? 508 GLN B NE2 1 ATOM 9104 N N . PHE B 1 509 ? -16.337 16.960 16.465 1.00 23.47 ? 509 PHE B N 1 ATOM 9105 C CA . PHE B 1 509 ? -17.492 17.572 15.833 1.00 24.73 ? 509 PHE B CA 1 ATOM 9106 C C . PHE B 1 509 ? -18.781 16.862 16.242 1.00 25.54 ? 509 PHE B C 1 ATOM 9107 O O . PHE B 1 509 ? -19.831 17.498 16.351 1.00 25.47 ? 509 PHE B O 1 ATOM 9108 C CB . PHE B 1 509 ? -17.298 17.670 14.312 1.00 23.90 ? 509 PHE B CB 1 ATOM 9109 C CG . PHE B 1 509 ? -16.246 18.673 13.928 1.00 23.60 ? 509 PHE B CG 1 ATOM 9110 C CD1 . PHE B 1 509 ? -16.574 20.026 13.799 1.00 23.37 ? 509 PHE B CD1 1 ATOM 9111 C CD2 . PHE B 1 509 ? -14.918 18.283 13.776 1.00 22.44 ? 509 PHE B CD2 1 ATOM 9112 C CE1 . PHE B 1 509 ? -15.605 20.960 13.485 1.00 22.97 ? 509 PHE B CE1 1 ATOM 9113 C CE2 . PHE B 1 509 ? -13.940 19.213 13.463 1.00 22.05 ? 509 PHE B CE2 1 ATOM 9114 C CZ . PHE B 1 509 ? -14.284 20.549 13.309 1.00 22.54 ? 509 PHE B CZ 1 ATOM 9115 N N . GLN B 1 510 ? -18.675 15.562 16.520 1.00 26.81 ? 510 GLN B N 1 ATOM 9116 C CA . GLN B 1 510 ? -19.803 14.798 17.046 1.00 27.72 ? 510 GLN B CA 1 ATOM 9117 C C . GLN B 1 510 ? -20.157 15.290 18.440 1.00 28.86 ? 510 GLN B C 1 ATOM 9118 O O . GLN B 1 510 ? -21.347 15.460 18.750 1.00 28.79 ? 510 GLN B O 1 ATOM 9119 C CB . GLN B 1 510 ? -19.505 13.297 17.096 1.00 28.28 ? 510 GLN B CB 1 ATOM 9120 C CG . GLN B 1 510 ? -19.485 12.609 15.740 1.00 29.06 ? 510 GLN B CG 1 ATOM 9121 C CD . GLN B 1 510 ? -19.323 11.103 15.852 1.00 29.13 ? 510 GLN B CD 1 ATOM 9122 O OE1 . GLN B 1 510 ? -18.211 10.579 15.765 1.00 28.57 ? 510 GLN B OE1 1 ATOM 9123 N NE2 . GLN B 1 510 ? -20.438 10.398 16.037 1.00 28.77 ? 510 GLN B NE2 1 ATOM 9124 N N . PHE B 1 511 ? -19.123 15.487 19.270 1.00 27.13 ? 511 PHE B N 1 ATOM 9125 C CA . PHE B 1 511 ? -19.271 15.991 20.639 1.00 27.97 ? 511 PHE B CA 1 ATOM 9126 C C . PHE B 1 511 ? -19.814 17.413 20.623 1.00 28.10 ? 511 PHE B C 1 ATOM 9127 O O . PHE B 1 511 ? -20.736 17.739 21.366 1.00 27.90 ? 511 PHE B O 1 ATOM 9128 C CB . PHE B 1 511 ? -17.924 16.026 21.400 1.00 27.39 ? 511 PHE B CB 1 ATOM 9129 C CG . PHE B 1 511 ? -17.366 14.675 21.775 1.00 27.91 ? 511 PHE B CG 1 ATOM 9130 C CD1 . PHE B 1 511 ? -18.065 13.492 21.527 1.00 29.10 ? 511 PHE B CD1 1 ATOM 9131 C CD2 . PHE B 1 511 ? -16.122 14.591 22.403 1.00 28.21 ? 511 PHE B CD2 1 ATOM 9132 C CE1 . PHE B 1 511 ? -17.524 12.258 21.881 1.00 28.39 ? 511 PHE B CE1 1 ATOM 9133 C CE2 . PHE B 1 511 ? -15.582 13.366 22.762 1.00 28.30 ? 511 PHE B CE2 1 ATOM 9134 C CZ . PHE B 1 511 ? -16.285 12.195 22.499 1.00 28.13 ? 511 PHE B CZ 1 ATOM 9135 N N . HIS B 1 512 ? -19.214 18.257 19.785 1.00 27.19 ? 512 HIS B N 1 ATOM 9136 C CA . HIS B 1 512 ? -19.652 19.639 19.629 1.00 28.11 ? 512 HIS B CA 1 ATOM 9137 C C . HIS B 1 512 ? -21.152 19.741 19.312 1.00 29.91 ? 512 HIS B C 1 ATOM 9138 O O . HIS B 1 512 ? -21.892 20.453 20.006 1.00 29.54 ? 512 HIS B O 1 ATOM 9139 C CB . HIS B 1 512 ? -18.823 20.332 18.557 1.00 27.47 ? 512 HIS B CB 1 ATOM 9140 C CG . HIS B 1 512 ? -19.104 21.790 18.418 1.00 27.45 ? 512 HIS B CG 1 ATOM 9141 N ND1 . HIS B 1 512 ? -18.864 22.696 19.429 1.00 27.48 ? 512 HIS B ND1 1 ATOM 9142 C CD2 . HIS B 1 512 ? -19.584 22.504 17.373 1.00 27.76 ? 512 HIS B CD2 1 ATOM 9143 C CE1 . HIS B 1 512 ? -19.182 23.908 19.010 1.00 27.92 ? 512 HIS B CE1 1 ATOM 9144 N NE2 . HIS B 1 512 ? -19.627 23.817 17.768 1.00 27.95 ? 512 HIS B NE2 1 ATOM 9145 N N . GLU B 1 513 ? -21.600 19.003 18.297 1.00 30.70 ? 513 GLU B N 1 ATOM 9146 C CA . GLU B 1 513 ? -23.016 18.998 17.931 1.00 32.17 ? 513 GLU B CA 1 ATOM 9147 C C . GLU B 1 513 ? -23.901 18.602 19.122 1.00 32.32 ? 513 GLU B C 1 ATOM 9148 O O . GLU B 1 513 ? -24.899 19.263 19.399 1.00 34.31 ? 513 GLU B O 1 ATOM 9149 C CB . GLU B 1 513 ? -23.286 18.087 16.722 1.00 32.82 ? 513 GLU B CB 1 ATOM 9150 C CG . GLU B 1 513 ? -24.717 18.204 16.187 1.00 34.47 ? 513 GLU B CG 1 ATOM 9151 C CD . GLU B 1 513 ? -25.040 17.216 15.079 1.00 36.37 ? 513 GLU B CD 1 ATOM 9152 O OE1 . GLU B 1 513 ? -24.764 16.003 15.234 1.00 35.47 ? 513 GLU B OE1 1 ATOM 9153 O OE2 . GLU B 1 513 ? -25.599 17.654 14.049 1.00 38.15 ? 513 GLU B OE2 1 ATOM 9154 N N . ALA B 1 514 ? -23.521 17.532 19.815 1.00 31.24 ? 514 ALA B N 1 ATOM 9155 C CA . ALA B 1 514 ? -24.281 17.017 20.944 1.00 31.04 ? 514 ALA B CA 1 ATOM 9156 C C . ALA B 1 514 ? -24.265 17.982 22.123 1.00 31.25 ? 514 ALA B C 1 ATOM 9157 O O . ALA B 1 514 ? -25.252 18.097 22.841 1.00 32.02 ? 514 ALA B O 1 ATOM 9158 C CB . ALA B 1 514 ? -23.739 15.664 21.375 1.00 31.01 ? 514 ALA B CB 1 ATOM 9159 N N . LEU B 1 515 ? -23.145 18.665 22.338 1.00 29.18 ? 515 LEU B N 1 ATOM 9160 C CA . LEU B 1 515 ? -23.072 19.631 23.432 1.00 29.16 ? 515 LEU B CA 1 ATOM 9161 C C . LEU B 1 515 ? -23.878 20.886 23.145 1.00 30.10 ? 515 LEU B C 1 ATOM 9162 O O . LEU B 1 515 ? -24.538 21.421 24.039 1.00 30.44 ? 515 LEU B O 1 ATOM 9163 C CB . LEU B 1 515 ? -21.616 19.958 23.799 1.00 27.19 ? 515 LEU B CB 1 ATOM 9164 C CG . LEU B 1 515 ? -20.854 18.782 24.423 1.00 26.66 ? 515 LEU B CG 1 ATOM 9165 C CD1 . LEU B 1 515 ? -19.414 19.168 24.758 1.00 25.67 ? 515 LEU B CD1 1 ATOM 9166 C CD2 . LEU B 1 515 ? -21.584 18.258 25.657 1.00 26.29 ? 515 LEU B CD2 1 ATOM 9167 N N . CYS B 1 516 ? -23.820 21.338 21.897 1.00 31.58 ? 516 CYS B N 1 ATOM 9168 C CA . CYS B 1 516 ? -24.558 22.505 21.429 1.00 34.21 ? 516 CYS B CA 1 ATOM 9169 C C . CYS B 1 516 ? -26.075 22.307 21.468 1.00 35.65 ? 516 CYS B C 1 ATOM 9170 O O . CYS B 1 516 ? -26.799 23.196 21.910 1.00 34.54 ? 516 CYS B O 1 ATOM 9171 C CB . CYS B 1 516 ? -24.109 22.878 20.015 1.00 36.25 ? 516 CYS B CB 1 ATOM 9172 S SG . CYS B 1 516 ? -22.426 23.547 19.998 1.00 38.09 ? 516 CYS B SG 1 ATOM 9173 N N . LYS B 1 517 ? -26.547 21.153 21.003 1.00 37.31 ? 517 LYS B N 1 ATOM 9174 C CA . LYS B 1 517 ? -27.963 20.815 21.137 1.00 40.26 ? 517 LYS B CA 1 ATOM 9175 C C . LYS B 1 517 ? -28.357 20.820 22.614 1.00 40.21 ? 517 LYS B C 1 ATOM 9176 O O . LYS B 1 517 ? -29.385 21.391 22.985 1.00 40.40 ? 517 LYS B O 1 ATOM 9177 C CB . LYS B 1 517 ? -28.275 19.453 20.515 1.00 42.52 ? 517 LYS B CB 1 ATOM 9178 C CG . LYS B 1 517 ? -29.763 19.150 20.487 1.00 46.13 ? 517 LYS B CG 1 ATOM 9179 C CD . LYS B 1 517 ? -30.039 17.658 20.419 1.00 48.98 ? 517 LYS B CD 1 ATOM 9180 C CE . LYS B 1 517 ? -31.532 17.390 20.561 1.00 51.31 ? 517 LYS B CE 1 ATOM 9181 N NZ . LYS B 1 517 ? -31.823 15.959 20.850 1.00 52.66 ? 517 LYS B NZ 1 ATOM 9182 N N . GLU B 1 518 ? -27.514 20.209 23.449 1.00 39.42 ? 518 GLU B N 1 ATOM 9183 C CA . GLU B 1 518 ? -27.782 20.083 24.880 1.00 39.33 ? 518 GLU B CA 1 ATOM 9184 C C . GLU B 1 518 ? -27.835 21.434 25.590 1.00 39.02 ? 518 GLU B C 1 ATOM 9185 O O . GLU B 1 518 ? -28.642 21.626 26.498 1.00 40.26 ? 518 GLU B O 1 ATOM 9186 C CB . GLU B 1 518 ? -26.771 19.143 25.539 1.00 38.95 ? 518 GLU B CB 1 ATOM 9187 C CG . GLU B 1 518 ? -27.067 18.797 26.995 1.00 41.14 ? 518 GLU B CG 1 ATOM 9188 C CD . GLU B 1 518 ? -28.267 17.872 27.176 1.00 42.31 ? 518 GLU B CD 1 ATOM 9189 O OE1 . GLU B 1 518 ? -28.810 17.366 26.177 1.00 43.68 ? 518 GLU B OE1 1 ATOM 9190 O OE2 . GLU B 1 518 ? -28.667 17.639 28.334 1.00 42.58 ? 518 GLU B OE2 1 ATOM 9191 N N . ALA B 1 519 ? -26.998 22.369 25.146 1.00 37.57 ? 519 ALA B N 1 ATOM 9192 C CA . ALA B 1 519 ? -27.019 23.756 25.614 1.00 37.11 ? 519 ALA B CA 1 ATOM 9193 C C . ALA B 1 519 ? -28.289 24.530 25.206 1.00 37.93 ? 519 ALA B C 1 ATOM 9194 O O . ALA B 1 519 ? -28.555 25.615 25.729 1.00 37.88 ? 519 ALA B O 1 ATOM 9195 C CB . ALA B 1 519 ? -25.778 24.490 25.126 1.00 35.38 ? 519 ALA B CB 1 ATOM 9196 N N . GLY B 1 520 ? -29.062 23.972 24.276 1.00 38.79 ? 520 GLY B N 1 ATOM 9197 C CA . GLY B 1 520 ? -30.294 24.603 23.803 1.00 38.53 ? 520 GLY B CA 1 ATOM 9198 C C . GLY B 1 520 ? -29.985 25.620 22.724 1.00 39.42 ? 520 GLY B C 1 ATOM 9199 O O . GLY B 1 520 ? -30.804 26.477 22.417 1.00 39.22 ? 520 GLY B O 1 ATOM 9200 N N . TYR B 1 521 ? -28.782 25.536 22.159 1.00 39.27 ? 521 TYR B N 1 ATOM 9201 C CA . TYR B 1 521 ? -28.404 26.415 21.064 1.00 40.43 ? 521 TYR B CA 1 ATOM 9202 C C . TYR B 1 521 ? -29.119 25.934 19.803 1.00 42.84 ? 521 TYR B C 1 ATOM 9203 O O . TYR B 1 521 ? -29.329 24.735 19.633 1.00 43.93 ? 521 TYR B O 1 ATOM 9204 C CB . TYR B 1 521 ? -26.882 26.435 20.877 1.00 39.26 ? 521 TYR B CB 1 ATOM 9205 C CG . TYR B 1 521 ? -26.444 27.291 19.721 1.00 39.69 ? 521 TYR B CG 1 ATOM 9206 C CD1 . TYR B 1 521 ? -26.395 28.681 19.835 1.00 40.30 ? 521 TYR B CD1 1 ATOM 9207 C CD2 . TYR B 1 521 ? -26.099 26.714 18.501 1.00 39.88 ? 521 TYR B CD2 1 ATOM 9208 C CE1 . TYR B 1 521 ? -26.001 29.470 18.769 1.00 40.45 ? 521 TYR B CE1 1 ATOM 9209 C CE2 . TYR B 1 521 ? -25.699 27.493 17.434 1.00 39.70 ? 521 TYR B CE2 1 ATOM 9210 C CZ . TYR B 1 521 ? -25.653 28.865 17.574 1.00 40.72 ? 521 TYR B CZ 1 ATOM 9211 O OH . TYR B 1 521 ? -25.265 29.631 16.507 1.00 43.01 ? 521 TYR B OH 1 ATOM 9212 N N . GLU B 1 522 ? -29.507 26.866 18.936 1.00 44.66 ? 522 GLU B N 1 ATOM 9213 C CA . GLU B 1 522 ? -30.341 26.532 17.781 1.00 47.76 ? 522 GLU B CA 1 ATOM 9214 C C . GLU B 1 522 ? -29.930 27.222 16.479 1.00 47.19 ? 522 GLU B C 1 ATOM 9215 O O . GLU B 1 522 ? -30.619 27.091 15.465 1.00 48.32 ? 522 GLU B O 1 ATOM 9216 C CB . GLU B 1 522 ? -31.822 26.808 18.090 1.00 52.39 ? 522 GLU B CB 1 ATOM 9217 C CG . GLU B 1 522 ? -32.451 25.825 19.073 1.00 55.29 ? 522 GLU B CG 1 ATOM 9218 C CD . GLU B 1 522 ? -33.963 25.945 19.156 1.00 58.73 ? 522 GLU B CD 1 ATOM 9219 O OE1 . GLU B 1 522 ? -34.461 26.997 19.621 1.00 60.99 ? 522 GLU B OE1 1 ATOM 9220 O OE2 . GLU B 1 522 ? -34.652 24.975 18.769 1.00 60.00 ? 522 GLU B OE2 1 ATOM 9221 N N . GLY B 1 523 ? -28.817 27.952 16.508 1.00 44.52 ? 523 GLY B N 1 ATOM 9222 C CA . GLY B 1 523 ? -28.274 28.593 15.304 1.00 42.43 ? 523 GLY B CA 1 ATOM 9223 C C . GLY B 1 523 ? -27.364 27.666 14.507 1.00 40.05 ? 523 GLY B C 1 ATOM 9224 O O . GLY B 1 523 ? -27.348 26.455 14.751 1.00 37.98 ? 523 GLY B O 1 ATOM 9225 N N . PRO B 1 524 ? -26.604 28.226 13.538 1.00 39.40 ? 524 PRO B N 1 ATOM 9226 C CA . PRO B 1 524 ? -25.635 27.437 12.775 1.00 38.39 ? 524 PRO B CA 1 ATOM 9227 C C . PRO B 1 524 ? -24.603 26.802 13.709 1.00 37.72 ? 524 PRO B C 1 ATOM 9228 O O . PRO B 1 524 ? -24.127 27.453 14.641 1.00 36.19 ? 524 PRO B O 1 ATOM 9229 C CB . PRO B 1 524 ? -24.964 28.478 11.869 1.00 38.36 ? 524 PRO B CB 1 ATOM 9230 C CG . PRO B 1 524 ? -25.944 29.588 11.758 1.00 39.21 ? 524 PRO B CG 1 ATOM 9231 C CD . PRO B 1 524 ? -26.634 29.632 13.092 1.00 39.73 ? 524 PRO B CD 1 ATOM 9232 N N . LEU B 1 525 ? -24.270 25.540 13.453 1.00 37.99 ? 525 LEU B N 1 ATOM 9233 C CA . LEU B 1 525 ? -23.387 24.775 14.330 1.00 37.77 ? 525 LEU B CA 1 ATOM 9234 C C . LEU B 1 525 ? -22.017 25.441 14.542 1.00 36.53 ? 525 LEU B C 1 ATOM 9235 O O . LEU B 1 525 ? -21.487 25.422 15.647 1.00 35.45 ? 525 LEU B O 1 ATOM 9236 C CB . LEU B 1 525 ? -23.255 23.324 13.838 1.00 39.20 ? 525 LEU B CB 1 ATOM 9237 C CG . LEU B 1 525 ? -22.509 22.309 14.717 1.00 39.87 ? 525 LEU B CG 1 ATOM 9238 C CD1 . LEU B 1 525 ? -23.156 22.149 16.091 1.00 40.03 ? 525 LEU B CD1 1 ATOM 9239 C CD2 . LEU B 1 525 ? -22.382 20.973 14.001 1.00 39.52 ? 525 LEU B CD2 1 ATOM 9240 N N . HIS B 1 526 ? -21.479 26.068 13.498 1.00 36.20 ? 526 HIS B N 1 ATOM 9241 C CA . HIS B 1 526 ? -20.166 26.711 13.570 1.00 34.80 ? 526 HIS B CA 1 ATOM 9242 C C . HIS B 1 526 ? -20.180 28.054 14.300 1.00 34.44 ? 526 HIS B C 1 ATOM 9243 O O . HIS B 1 526 ? -19.140 28.705 14.412 1.00 33.61 ? 526 HIS B O 1 ATOM 9244 C CB . HIS B 1 526 ? -19.594 26.909 12.167 1.00 34.98 ? 526 HIS B CB 1 ATOM 9245 C CG . HIS B 1 526 ? -20.363 27.893 11.345 1.00 35.46 ? 526 HIS B CG 1 ATOM 9246 N ND1 . HIS B 1 526 ? -21.562 27.578 10.743 1.00 36.14 ? 526 HIS B ND1 1 ATOM 9247 C CD2 . HIS B 1 526 ? -20.116 29.188 11.044 1.00 35.87 ? 526 HIS B CD2 1 ATOM 9248 C CE1 . HIS B 1 526 ? -22.018 28.638 10.099 1.00 37.48 ? 526 HIS B CE1 1 ATOM 9249 N NE2 . HIS B 1 526 ? -21.159 29.628 10.265 1.00 37.54 ? 526 HIS B NE2 1 ATOM 9250 N N . GLN B 1 527 ? -21.350 28.476 14.775 1.00 34.75 ? 527 GLN B N 1 ATOM 9251 C CA . GLN B 1 527 ? -21.460 29.709 15.549 1.00 35.82 ? 527 GLN B CA 1 ATOM 9252 C C . GLN B 1 527 ? -21.822 29.422 17.003 1.00 35.61 ? 527 GLN B C 1 ATOM 9253 O O . GLN B 1 527 ? -22.010 30.340 17.807 1.00 35.88 ? 527 GLN B O 1 ATOM 9254 C CB . GLN B 1 527 ? -22.458 30.680 14.910 1.00 37.05 ? 527 GLN B CB 1 ATOM 9255 C CG . GLN B 1 527 ? -21.921 31.332 13.646 1.00 39.35 ? 527 GLN B CG 1 ATOM 9256 C CD . GLN B 1 527 ? -22.857 32.365 13.047 1.00 41.56 ? 527 GLN B CD 1 ATOM 9257 O OE1 . GLN B 1 527 ? -24.007 32.519 13.468 1.00 42.57 ? 527 GLN B OE1 1 ATOM 9258 N NE2 . GLN B 1 527 ? -22.357 33.090 12.056 1.00 42.78 ? 527 GLN B NE2 1 ATOM 9259 N N . CYS B 1 528 ? -21.914 28.138 17.332 1.00 34.90 ? 528 CYS B N 1 ATOM 9260 C CA . CYS B 1 528 ? -22.217 27.702 18.685 1.00 34.57 ? 528 CYS B CA 1 ATOM 9261 C C . CYS B 1 528 ? -21.073 27.947 19.683 1.00 32.98 ? 528 CYS B C 1 ATOM 9262 O O . CYS B 1 528 ? -19.908 27.671 19.388 1.00 30.45 ? 528 CYS B O 1 ATOM 9263 C CB . CYS B 1 528 ? -22.564 26.223 18.678 1.00 35.84 ? 528 CYS B CB 1 ATOM 9264 S SG . CYS B 1 528 ? -22.732 25.520 20.328 1.00 39.48 ? 528 CYS B SG 1 ATOM 9265 N N . ASP B 1 529 ? -21.435 28.449 20.865 1.00 31.45 ? 529 ASP B N 1 ATOM 9266 C CA . ASP B 1 529 ? -20.506 28.611 21.991 1.00 29.70 ? 529 ASP B CA 1 ATOM 9267 C C . ASP B 1 529 ? -21.174 27.999 23.226 1.00 29.88 ? 529 ASP B C 1 ATOM 9268 O O . ASP B 1 529 ? -22.227 28.481 23.671 1.00 29.26 ? 529 ASP B O 1 ATOM 9269 C CB . ASP B 1 529 ? -20.189 30.105 22.218 1.00 29.25 ? 529 ASP B CB 1 ATOM 9270 C CG . ASP B 1 529 ? -19.203 30.351 23.362 1.00 28.19 ? 529 ASP B CG 1 ATOM 9271 O OD1 . ASP B 1 529 ? -18.658 29.386 23.937 1.00 27.66 ? 529 ASP B OD1 1 ATOM 9272 O OD2 . ASP B 1 529 ? -18.974 31.533 23.688 1.00 27.07 ? 529 ASP B OD2 1 ATOM 9273 N N . ILE B 1 530 ? -20.557 26.948 23.772 1.00 28.52 ? 530 ILE B N 1 ATOM 9274 C CA . ILE B 1 530 ? -21.092 26.239 24.938 1.00 28.30 ? 530 ILE B CA 1 ATOM 9275 C C . ILE B 1 530 ? -20.674 26.835 26.295 1.00 27.60 ? 530 ILE B C 1 ATOM 9276 O O . ILE B 1 530 ? -21.076 26.330 27.343 1.00 26.99 ? 530 ILE B O 1 ATOM 9277 C CB . ILE B 1 530 ? -20.763 24.727 24.906 1.00 28.30 ? 530 ILE B CB 1 ATOM 9278 C CG1 . ILE B 1 530 ? -19.251 24.484 25.090 1.00 27.71 ? 530 ILE B CG1 1 ATOM 9279 C CG2 . ILE B 1 530 ? -21.305 24.092 23.624 1.00 28.86 ? 530 ILE B CG2 1 ATOM 9280 C CD1 . ILE B 1 530 ? -18.888 23.089 25.562 1.00 26.80 ? 530 ILE B CD1 1 ATOM 9281 N N . TYR B 1 531 ? -19.872 27.900 26.263 1.00 26.73 ? 531 TYR B N 1 ATOM 9282 C CA . TYR B 1 531 ? -19.452 28.618 27.463 1.00 26.33 ? 531 TYR B CA 1 ATOM 9283 C C . TYR B 1 531 ? -20.620 28.797 28.433 1.00 26.89 ? 531 TYR B C 1 ATOM 9284 O O . TYR B 1 531 ? -21.705 29.200 28.021 1.00 26.30 ? 531 TYR B O 1 ATOM 9285 C CB . TYR B 1 531 ? -18.902 29.983 27.049 1.00 26.99 ? 531 TYR B CB 1 ATOM 9286 C CG . TYR B 1 531 ? -18.277 30.804 28.150 1.00 27.39 ? 531 TYR B CG 1 ATOM 9287 C CD1 . TYR B 1 531 ? -17.133 30.367 28.821 1.00 27.00 ? 531 TYR B CD1 1 ATOM 9288 C CD2 . TYR B 1 531 ? -18.821 32.040 28.503 1.00 27.91 ? 531 TYR B CD2 1 ATOM 9289 C CE1 . TYR B 1 531 ? -16.558 31.130 29.824 1.00 26.54 ? 531 TYR B CE1 1 ATOM 9290 C CE2 . TYR B 1 531 ? -18.256 32.808 29.503 1.00 27.90 ? 531 TYR B CE2 1 ATOM 9291 C CZ . TYR B 1 531 ? -17.130 32.348 30.160 1.00 27.33 ? 531 TYR B CZ 1 ATOM 9292 O OH . TYR B 1 531 ? -16.579 33.126 31.144 1.00 26.45 ? 531 TYR B OH 1 ATOM 9293 N N . ARG B 1 532 ? -20.391 28.476 29.708 1.00 26.99 ? 532 ARG B N 1 ATOM 9294 C CA . ARG B 1 532 ? -21.378 28.671 30.789 1.00 27.44 ? 532 ARG B CA 1 ATOM 9295 C C . ARG B 1 532 ? -22.610 27.772 30.713 1.00 28.46 ? 532 ARG B C 1 ATOM 9296 O O . ARG B 1 532 ? -23.507 27.884 31.550 1.00 28.42 ? 532 ARG B O 1 ATOM 9297 C CB . ARG B 1 532 ? -21.812 30.142 30.908 1.00 27.61 ? 532 ARG B CB 1 ATOM 9298 C CG . ARG B 1 532 ? -20.786 31.009 31.615 1.00 27.15 ? 532 ARG B CG 1 ATOM 9299 C CD . ARG B 1 532 ? -21.153 32.486 31.621 1.00 27.25 ? 532 ARG B CD 1 ATOM 9300 N NE . ARG B 1 532 ? -20.151 33.241 32.377 1.00 26.83 ? 532 ARG B NE 1 ATOM 9301 C CZ . ARG B 1 532 ? -19.937 34.549 32.271 1.00 27.09 ? 532 ARG B CZ 1 ATOM 9302 N NH1 . ARG B 1 532 ? -20.653 35.295 31.443 1.00 27.21 ? 532 ARG B NH1 1 ATOM 9303 N NH2 . ARG B 1 532 ? -18.992 35.112 33.006 1.00 28.05 ? 532 ARG B NH2 1 ATOM 9304 N N . SER B 1 533 ? -22.665 26.876 29.729 1.00 27.99 ? 533 SER B N 1 ATOM 9305 C CA . SER B 1 533 ? -23.750 25.907 29.710 1.00 29.28 ? 533 SER B CA 1 ATOM 9306 C C . SER B 1 533 ? -23.493 24.784 30.717 1.00 28.83 ? 533 SER B C 1 ATOM 9307 O O . SER B 1 533 ? -22.637 23.920 30.515 1.00 28.28 ? 533 SER B O 1 ATOM 9308 C CB . SER B 1 533 ? -23.997 25.347 28.308 1.00 29.35 ? 533 SER B CB 1 ATOM 9309 O OG . SER B 1 533 ? -24.948 24.297 28.381 1.00 30.37 ? 533 SER B OG 1 ATOM 9310 N N . THR B 1 534 ? -24.235 24.808 31.817 1.00 28.91 ? 534 THR B N 1 ATOM 9311 C CA . THR B 1 534 ? -24.091 23.775 32.835 1.00 29.55 ? 534 THR B CA 1 ATOM 9312 C C . THR B 1 534 ? -24.692 22.452 32.340 1.00 30.41 ? 534 THR B C 1 ATOM 9313 O O . THR B 1 534 ? -24.234 21.382 32.738 1.00 30.19 ? 534 THR B O 1 ATOM 9314 C CB . THR B 1 534 ? -24.730 24.198 34.166 1.00 30.44 ? 534 THR B CB 1 ATOM 9315 O OG1 . THR B 1 534 ? -26.088 24.569 33.932 1.00 31.25 ? 534 THR B OG1 1 ATOM 9316 C CG2 . THR B 1 534 ? -23.994 25.393 34.748 1.00 29.67 ? 534 THR B CG2 1 ATOM 9317 N N . LYS B 1 535 ? -25.693 22.532 31.459 1.00 31.53 ? 535 LYS B N 1 ATOM 9318 C CA . LYS B 1 535 ? -26.269 21.331 30.839 1.00 33.29 ? 535 LYS B CA 1 ATOM 9319 C C . LYS B 1 535 ? -25.242 20.623 29.958 1.00 31.68 ? 535 LYS B C 1 ATOM 9320 O O . LYS B 1 535 ? -25.027 19.423 30.107 1.00 31.80 ? 535 LYS B O 1 ATOM 9321 C CB . LYS B 1 535 ? -27.540 21.639 30.043 1.00 35.25 ? 535 LYS B CB 1 ATOM 9322 C CG . LYS B 1 535 ? -28.794 21.744 30.899 1.00 38.22 ? 535 LYS B CG 1 ATOM 9323 C CD . LYS B 1 535 ? -30.053 21.460 30.088 1.00 41.63 ? 535 LYS B CD 1 ATOM 9324 C CE . LYS B 1 535 ? -30.435 22.633 29.194 1.00 43.45 ? 535 LYS B CE 1 ATOM 9325 N NZ . LYS B 1 535 ? -30.989 23.775 29.978 1.00 45.63 ? 535 LYS B NZ 1 ATOM 9326 N N . ALA B 1 536 ? -24.597 21.363 29.060 1.00 31.05 ? 536 ALA B N 1 ATOM 9327 C CA . ALA B 1 536 ? -23.510 20.784 28.261 1.00 30.71 ? 536 ALA B CA 1 ATOM 9328 C C . ALA B 1 536 ? -22.399 20.251 29.175 1.00 30.31 ? 536 ALA B C 1 ATOM 9329 O O . ALA B 1 536 ? -21.874 19.159 28.958 1.00 30.15 ? 536 ALA B O 1 ATOM 9330 C CB . ALA B 1 536 ? -22.968 21.799 27.262 1.00 30.32 ? 536 ALA B CB 1 ATOM 9331 N N . GLY B 1 537 ? -22.071 21.015 30.217 1.00 31.00 ? 537 GLY B N 1 ATOM 9332 C CA . GLY B 1 537 ? -21.051 20.617 31.193 1.00 30.35 ? 537 GLY B CA 1 ATOM 9333 C C . GLY B 1 537 ? -21.351 19.291 31.876 1.00 30.50 ? 537 GLY B C 1 ATOM 9334 O O . GLY B 1 537 ? -20.467 18.447 32.014 1.00 30.03 ? 537 GLY B O 1 ATOM 9335 N N . ALA B 1 538 ? -22.605 19.101 32.290 1.00 31.34 ? 538 ALA B N 1 ATOM 9336 C CA . ALA B 1 538 ? -23.031 17.842 32.901 1.00 31.32 ? 538 ALA B CA 1 ATOM 9337 C C . ALA B 1 538 ? -22.917 16.642 31.943 1.00 31.30 ? 538 ALA B C 1 ATOM 9338 O O . ALA B 1 538 ? -22.508 15.552 32.351 1.00 31.51 ? 538 ALA B O 1 ATOM 9339 C CB . ALA B 1 538 ? -24.447 17.970 33.446 1.00 32.51 ? 538 ALA B CB 1 ATOM 9340 N N . LYS B 1 539 ? -23.274 16.848 30.676 1.00 31.20 ? 539 LYS B N 1 ATOM 9341 C CA . LYS B 1 539 ? -23.189 15.795 29.661 1.00 31.24 ? 539 LYS B CA 1 ATOM 9342 C C . LYS B 1 539 ? -21.729 15.413 29.365 1.00 31.02 ? 539 LYS B C 1 ATOM 9343 O O . LYS B 1 539 ? -21.418 14.234 29.159 1.00 30.28 ? 539 LYS B O 1 ATOM 9344 C CB . LYS B 1 539 ? -23.919 16.237 28.388 1.00 33.06 ? 539 LYS B CB 1 ATOM 9345 C CG . LYS B 1 539 ? -23.876 15.255 27.223 1.00 32.35 ? 539 LYS B CG 1 ATOM 9346 C CD . LYS B 1 539 ? -24.747 15.742 26.075 1.00 33.53 ? 539 LYS B CD 1 ATOM 9347 C CE . LYS B 1 539 ? -26.149 15.145 26.115 1.00 34.15 ? 539 LYS B CE 1 ATOM 9348 N NZ . LYS B 1 539 ? -26.131 13.702 25.754 1.00 34.18 ? 539 LYS B NZ 1 ATOM 9349 N N . LEU B 1 540 ? -20.838 16.408 29.347 1.00 29.19 ? 540 LEU B N 1 ATOM 9350 C CA . LEU B 1 540 ? -19.412 16.136 29.171 1.00 28.57 ? 540 LEU B CA 1 ATOM 9351 C C . LEU B 1 540 ? -18.817 15.470 30.407 1.00 28.48 ? 540 LEU B C 1 ATOM 9352 O O . LEU B 1 540 ? -17.990 14.565 30.288 1.00 28.50 ? 540 LEU B O 1 ATOM 9353 C CB . LEU B 1 540 ? -18.644 17.413 28.827 1.00 27.80 ? 540 LEU B CB 1 ATOM 9354 C CG . LEU B 1 540 ? -17.168 17.279 28.435 1.00 27.49 ? 540 LEU B CG 1 ATOM 9355 C CD1 . LEU B 1 540 ? -16.988 16.434 27.176 1.00 26.04 ? 540 LEU B CD1 1 ATOM 9356 C CD2 . LEU B 1 540 ? -16.603 18.670 28.233 1.00 27.07 ? 540 LEU B CD2 1 ATOM 9357 N N . ARG B 1 541 ? -19.259 15.891 31.591 1.00 29.46 ? 541 ARG B N 1 ATOM 9358 C CA . ARG B 1 541 ? -18.764 15.308 32.835 1.00 30.72 ? 541 ARG B CA 1 ATOM 9359 C C . ARG B 1 541 ? -19.055 13.817 32.891 1.00 31.16 ? 541 ARG B C 1 ATOM 9360 O O . ARG B 1 541 ? -18.220 13.042 33.348 1.00 30.62 ? 541 ARG B O 1 ATOM 9361 C CB . ARG B 1 541 ? -19.348 16.025 34.061 1.00 33.18 ? 541 ARG B CB 1 ATOM 9362 C CG . ARG B 1 541 ? -18.727 15.611 35.395 1.00 35.37 ? 541 ARG B CG 1 ATOM 9363 C CD . ARG B 1 541 ? -19.011 16.609 36.514 1.00 38.59 ? 541 ARG B CD 1 ATOM 9364 N NE . ARG B 1 541 ? -20.442 16.853 36.690 1.00 42.15 ? 541 ARG B NE 1 ATOM 9365 C CZ . ARG B 1 541 ? -21.061 18.008 36.434 1.00 44.46 ? 541 ARG B CZ 1 ATOM 9366 N NH1 . ARG B 1 541 ? -20.384 19.070 35.993 1.00 43.28 ? 541 ARG B NH1 1 ATOM 9367 N NH2 . ARG B 1 541 ? -22.375 18.098 36.621 1.00 45.19 ? 541 ARG B NH2 1 ATOM 9368 N N . LYS B 1 542 ? -20.235 13.414 32.409 1.00 32.68 ? 542 LYS B N 1 ATOM 9369 C CA . LYS B 1 542 ? -20.613 11.999 32.392 1.00 34.08 ? 542 LYS B CA 1 ATOM 9370 C C . LYS B 1 542 ? -19.612 11.164 31.594 1.00 33.20 ? 542 LYS B C 1 ATOM 9371 O O . LYS B 1 542 ? -19.242 10.061 32.004 1.00 33.42 ? 542 LYS B O 1 ATOM 9372 C CB . LYS B 1 542 ? -22.031 11.807 31.836 1.00 36.29 ? 542 LYS B CB 1 ATOM 9373 C CG . LYS B 1 542 ? -23.056 11.379 32.877 1.00 40.39 ? 542 LYS B CG 1 ATOM 9374 C CD . LYS B 1 542 ? -24.236 10.679 32.213 1.00 43.04 ? 542 LYS B CD 1 ATOM 9375 C CE . LYS B 1 542 ? -24.970 9.762 33.184 1.00 45.51 ? 542 LYS B CE 1 ATOM 9376 N NZ . LYS B 1 542 ? -25.966 10.486 34.026 1.00 46.93 ? 542 LYS B NZ 1 ATOM 9377 N N . VAL B 1 543 ? -19.168 11.706 30.464 1.00 32.20 ? 543 VAL B N 1 ATOM 9378 C CA . VAL B 1 543 ? -18.165 11.048 29.637 1.00 31.52 ? 543 VAL B CA 1 ATOM 9379 C C . VAL B 1 543 ? -16.860 10.934 30.427 1.00 30.59 ? 543 VAL B C 1 ATOM 9380 O O . VAL B 1 543 ? -16.274 9.855 30.530 1.00 31.07 ? 543 VAL B O 1 ATOM 9381 C CB . VAL B 1 543 ? -17.949 11.810 28.311 1.00 30.77 ? 543 VAL B CB 1 ATOM 9382 C CG1 . VAL B 1 543 ? -16.740 11.274 27.553 1.00 30.05 ? 543 VAL B CG1 1 ATOM 9383 C CG2 . VAL B 1 543 ? -19.208 11.741 27.459 1.00 31.81 ? 543 VAL B CG2 1 ATOM 9384 N N . LEU B 1 544 ? -16.427 12.046 31.013 1.00 29.53 ? 544 LEU B N 1 ATOM 9385 C CA . LEU B 1 544 ? -15.114 12.104 31.648 1.00 28.42 ? 544 LEU B CA 1 ATOM 9386 C C . LEU B 1 544 ? -14.972 11.202 32.867 1.00 29.14 ? 544 LEU B C 1 ATOM 9387 O O . LEU B 1 544 ? -13.952 10.529 33.024 1.00 27.98 ? 544 LEU B O 1 ATOM 9388 C CB . LEU B 1 544 ? -14.755 13.545 32.005 1.00 26.46 ? 544 LEU B CB 1 ATOM 9389 C CG . LEU B 1 544 ? -14.773 14.526 30.839 1.00 25.83 ? 544 LEU B CG 1 ATOM 9390 C CD1 . LEU B 1 544 ? -14.405 15.920 31.324 1.00 24.62 ? 544 LEU B CD1 1 ATOM 9391 C CD2 . LEU B 1 544 ? -13.827 14.044 29.744 1.00 25.72 ? 544 LEU B CD2 1 ATOM 9392 N N . ARG B 1 545 ? -15.988 11.199 33.728 1.00 31.50 ? 545 ARG B N 1 ATOM 9393 C CA . ARG B 1 545 ? -15.963 10.384 34.955 1.00 34.83 ? 545 ARG B CA 1 ATOM 9394 C C . ARG B 1 545 ? -15.944 8.891 34.663 1.00 36.22 ? 545 ARG B C 1 ATOM 9395 O O . ARG B 1 545 ? -15.471 8.105 35.486 1.00 39.06 ? 545 ARG B O 1 ATOM 9396 C CB . ARG B 1 545 ? -17.143 10.733 35.874 1.00 36.96 ? 545 ARG B CB 1 ATOM 9397 C CG . ARG B 1 545 ? -17.095 12.173 36.366 1.00 38.29 ? 545 ARG B CG 1 ATOM 9398 C CD . ARG B 1 545 ? -18.059 12.457 37.500 1.00 39.92 ? 545 ARG B CD 1 ATOM 9399 N NE . ARG B 1 545 ? -17.759 11.659 38.689 1.00 42.71 ? 545 ARG B NE 1 ATOM 9400 C CZ . ARG B 1 545 ? -16.787 11.921 39.559 1.00 43.77 ? 545 ARG B CZ 1 ATOM 9401 N NH1 . ARG B 1 545 ? -15.981 12.969 39.391 1.00 42.58 ? 545 ARG B NH1 1 ATOM 9402 N NH2 . ARG B 1 545 ? -16.619 11.123 40.604 1.00 46.36 ? 545 ARG B NH2 1 ATOM 9403 N N . ALA B 1 546 ? -16.431 8.512 33.481 1.00 36.36 ? 546 ALA B N 1 ATOM 9404 C CA . ALA B 1 546 ? -16.559 7.109 33.095 1.00 36.07 ? 546 ALA B CA 1 ATOM 9405 C C . ALA B 1 546 ? -15.228 6.420 32.848 1.00 35.67 ? 546 ALA B C 1 ATOM 9406 O O . ALA B 1 546 ? -15.169 5.193 32.818 1.00 35.43 ? 546 ALA B O 1 ATOM 9407 C CB . ALA B 1 546 ? -17.447 6.977 31.869 1.00 36.70 ? 546 ALA B CB 1 ATOM 9408 N N . GLY B 1 547 ? -14.168 7.206 32.647 1.00 34.61 ? 547 GLY B N 1 ATOM 9409 C CA . GLY B 1 547 ? -12.871 6.665 32.255 1.00 33.41 ? 547 GLY B CA 1 ATOM 9410 C C . GLY B 1 547 ? -13.011 5.636 31.148 1.00 33.44 ? 547 GLY B C 1 ATOM 9411 O O . GLY B 1 547 ? -13.730 5.861 30.172 1.00 33.19 ? 547 GLY B O 1 ATOM 9412 N N . SER B 1 548 ? -12.333 4.502 31.304 1.00 34.28 ? 548 SER B N 1 ATOM 9413 C CA . SER B 1 548 ? -12.482 3.388 30.367 1.00 35.87 ? 548 SER B CA 1 ATOM 9414 C C . SER B 1 548 ? -13.261 2.211 30.975 1.00 37.72 ? 548 SER B C 1 ATOM 9415 O O . SER B 1 548 ? -13.040 1.058 30.598 1.00 38.72 ? 548 SER B O 1 ATOM 9416 C CB . SER B 1 548 ? -11.117 2.906 29.888 1.00 35.32 ? 548 SER B CB 1 ATOM 9417 O OG . SER B 1 548 ? -10.355 2.442 30.984 1.00 35.55 ? 548 SER B OG 1 ATOM 9418 N N . SER B 1 549 ? -14.169 2.504 31.901 1.00 38.12 ? 549 SER B N 1 ATOM 9419 C CA . SER B 1 549 ? -14.965 1.461 32.564 1.00 40.78 ? 549 SER B CA 1 ATOM 9420 C C . SER B 1 549 ? -16.019 0.811 31.660 1.00 42.47 ? 549 SER B C 1 ATOM 9421 O O . SER B 1 549 ? -16.408 -0.336 31.887 1.00 44.31 ? 549 SER B O 1 ATOM 9422 C CB . SER B 1 549 ? -15.632 2.013 33.828 1.00 40.50 ? 549 SER B CB 1 ATOM 9423 O OG . SER B 1 549 ? -16.614 2.991 33.513 1.00 40.48 ? 549 SER B OG 1 ATOM 9424 N N . ARG B 1 550 ? -16.480 1.548 30.651 1.00 41.51 ? 550 ARG B N 1 ATOM 9425 C CA . ARG B 1 550 ? -17.466 1.043 29.690 1.00 42.28 ? 550 ARG B CA 1 ATOM 9426 C C . ARG B 1 550 ? -16.962 1.150 28.243 1.00 40.75 ? 550 ARG B C 1 ATOM 9427 O O . ARG B 1 550 ? -16.174 2.051 27.925 1.00 40.38 ? 550 ARG B O 1 ATOM 9428 C CB . ARG B 1 550 ? -18.797 1.782 29.863 1.00 44.21 ? 550 ARG B CB 1 ATOM 9429 C CG . ARG B 1 550 ? -19.513 1.437 31.166 1.00 46.99 ? 550 ARG B CG 1 ATOM 9430 C CD . ARG B 1 550 ? -20.488 2.515 31.606 1.00 48.80 ? 550 ARG B CD 1 ATOM 9431 N NE . ARG B 1 550 ? -21.616 2.649 30.684 1.00 51.43 ? 550 ARG B NE 1 ATOM 9432 C CZ . ARG B 1 550 ? -21.988 3.791 30.114 1.00 51.54 ? 550 ARG B CZ 1 ATOM 9433 N NH1 . ARG B 1 550 ? -21.334 4.920 30.380 1.00 50.66 ? 550 ARG B NH1 1 ATOM 9434 N NH2 . ARG B 1 550 ? -23.027 3.805 29.289 1.00 51.56 ? 550 ARG B NH2 1 ATOM 9435 N N . PRO B 1 551 ? -17.401 0.228 27.358 1.00 40.02 ? 551 PRO B N 1 ATOM 9436 C CA . PRO B 1 551 ? -16.941 0.291 25.961 1.00 38.00 ? 551 PRO B CA 1 ATOM 9437 C C . PRO B 1 551 ? -17.330 1.615 25.303 1.00 36.48 ? 551 PRO B C 1 ATOM 9438 O O . PRO B 1 551 ? -18.419 2.143 25.572 1.00 36.64 ? 551 PRO B O 1 ATOM 9439 C CB . PRO B 1 551 ? -17.660 -0.889 25.289 1.00 38.66 ? 551 PRO B CB 1 ATOM 9440 C CG . PRO B 1 551 ? -18.751 -1.283 26.225 1.00 40.13 ? 551 PRO B CG 1 ATOM 9441 C CD . PRO B 1 551 ? -18.269 -0.940 27.600 1.00 39.99 ? 551 PRO B CD 1 ATOM 9442 N N . TRP B 1 552 ? -16.452 2.139 24.446 1.00 33.41 ? 552 TRP B N 1 ATOM 9443 C CA . TRP B 1 552 ? -16.596 3.510 23.954 1.00 31.77 ? 552 TRP B CA 1 ATOM 9444 C C . TRP B 1 552 ? -17.851 3.718 23.110 1.00 32.80 ? 552 TRP B C 1 ATOM 9445 O O . TRP B 1 552 ? -18.414 4.819 23.091 1.00 32.13 ? 552 TRP B O 1 ATOM 9446 C CB . TRP B 1 552 ? -15.325 3.992 23.221 1.00 29.97 ? 552 TRP B CB 1 ATOM 9447 C CG . TRP B 1 552 ? -14.977 3.246 21.965 1.00 28.70 ? 552 TRP B CG 1 ATOM 9448 C CD1 . TRP B 1 552 ? -14.100 2.212 21.845 1.00 28.67 ? 552 TRP B CD1 1 ATOM 9449 C CD2 . TRP B 1 552 ? -15.482 3.500 20.649 1.00 28.59 ? 552 TRP B CD2 1 ATOM 9450 N NE1 . TRP B 1 552 ? -14.030 1.795 20.533 1.00 28.63 ? 552 TRP B NE1 1 ATOM 9451 C CE2 . TRP B 1 552 ? -14.873 2.569 19.780 1.00 28.91 ? 552 TRP B CE2 1 ATOM 9452 C CE3 . TRP B 1 552 ? -16.394 4.425 20.118 1.00 28.81 ? 552 TRP B CE3 1 ATOM 9453 C CZ2 . TRP B 1 552 ? -15.145 2.536 18.408 1.00 29.11 ? 552 TRP B CZ2 1 ATOM 9454 C CZ3 . TRP B 1 552 ? -16.664 4.393 18.753 1.00 28.85 ? 552 TRP B CZ3 1 ATOM 9455 C CH2 . TRP B 1 552 ? -16.040 3.453 17.915 1.00 29.69 ? 552 TRP B CH2 1 ATOM 9456 N N . GLN B 1 553 ? -18.305 2.655 22.442 1.00 33.92 ? 553 GLN B N 1 ATOM 9457 C CA . GLN B 1 553 ? -19.512 2.731 21.609 1.00 34.94 ? 553 GLN B CA 1 ATOM 9458 C C . GLN B 1 553 ? -20.744 3.050 22.451 1.00 35.89 ? 553 GLN B C 1 ATOM 9459 O O . GLN B 1 553 ? -21.661 3.724 21.978 1.00 36.25 ? 553 GLN B O 1 ATOM 9460 C CB . GLN B 1 553 ? -19.745 1.436 20.816 1.00 34.68 ? 553 GLN B CB 1 ATOM 9461 C CG . GLN B 1 553 ? -18.673 1.095 19.794 1.00 34.07 ? 553 GLN B CG 1 ATOM 9462 C CD . GLN B 1 553 ? -17.568 0.218 20.367 1.00 33.60 ? 553 GLN B CD 1 ATOM 9463 O OE1 . GLN B 1 553 ? -17.416 0.109 21.578 1.00 33.96 ? 553 GLN B OE1 1 ATOM 9464 N NE2 . GLN B 1 553 ? -16.807 -0.426 19.495 1.00 33.48 ? 553 GLN B NE2 1 ATOM 9465 N N . GLU B 1 554 ? -20.753 2.559 23.690 1.00 36.38 ? 554 GLU B N 1 ATOM 9466 C CA . GLU B 1 554 ? -21.837 2.835 24.637 1.00 38.62 ? 554 GLU B CA 1 ATOM 9467 C C . GLU B 1 554 ? -21.788 4.262 25.171 1.00 36.83 ? 554 GLU B C 1 ATOM 9468 O O . GLU B 1 554 ? -22.818 4.937 25.255 1.00 36.31 ? 554 GLU B O 1 ATOM 9469 C CB . GLU B 1 554 ? -21.767 1.883 25.827 1.00 41.55 ? 554 GLU B CB 1 ATOM 9470 C CG . GLU B 1 554 ? -22.277 0.488 25.550 1.00 46.00 ? 554 GLU B CG 1 ATOM 9471 C CD . GLU B 1 554 ? -22.345 -0.344 26.810 1.00 49.85 ? 554 GLU B CD 1 ATOM 9472 O OE1 . GLU B 1 554 ? -22.679 0.216 27.886 1.00 49.68 ? 554 GLU B OE1 1 ATOM 9473 O OE2 . GLU B 1 554 ? -22.062 -1.559 26.715 1.00 52.06 ? 554 GLU B OE2 1 ATOM 9474 N N . VAL B 1 555 ? -20.589 4.694 25.559 1.00 33.77 ? 555 VAL B N 1 ATOM 9475 C CA . VAL B 1 555 ? -20.372 6.047 26.058 1.00 32.72 ? 555 VAL B CA 1 ATOM 9476 C C . VAL B 1 555 ? -20.775 7.059 24.992 1.00 32.05 ? 555 VAL B C 1 ATOM 9477 O O . VAL B 1 555 ? -21.441 8.055 25.287 1.00 31.69 ? 555 VAL B O 1 ATOM 9478 C CB . VAL B 1 555 ? -18.899 6.277 26.463 1.00 31.51 ? 555 VAL B CB 1 ATOM 9479 C CG1 . VAL B 1 555 ? -18.729 7.661 27.060 1.00 31.74 ? 555 VAL B CG1 1 ATOM 9480 C CG2 . VAL B 1 555 ? -18.451 5.235 27.473 1.00 31.75 ? 555 VAL B CG2 1 ATOM 9481 N N . LEU B 1 556 ? -20.371 6.782 23.755 1.00 32.05 ? 556 LEU B N 1 ATOM 9482 C CA . LEU B 1 556 ? -20.666 7.645 22.629 1.00 32.73 ? 556 LEU B CA 1 ATOM 9483 C C . LEU B 1 556 ? -22.171 7.688 22.372 1.00 35.08 ? 556 LEU B C 1 ATOM 9484 O O . LEU B 1 556 ? -22.725 8.760 22.128 1.00 35.86 ? 556 LEU B O 1 ATOM 9485 C CB . LEU B 1 556 ? -19.892 7.186 21.383 1.00 30.69 ? 556 LEU B CB 1 ATOM 9486 C CG . LEU B 1 556 ? -19.935 8.053 20.117 1.00 30.56 ? 556 LEU B CG 1 ATOM 9487 C CD1 . LEU B 1 556 ? -19.478 9.488 20.362 1.00 29.99 ? 556 LEU B CD1 1 ATOM 9488 C CD2 . LEU B 1 556 ? -19.126 7.407 18.999 1.00 29.81 ? 556 LEU B CD2 1 ATOM 9489 N N . LYS B 1 557 ? -22.825 6.527 22.447 1.00 37.63 ? 557 LYS B N 1 ATOM 9490 C CA . LYS B 1 557 ? -24.289 6.438 22.316 1.00 40.58 ? 557 LYS B CA 1 ATOM 9491 C C . LYS B 1 557 ? -25.014 7.306 23.360 1.00 41.67 ? 557 LYS B C 1 ATOM 9492 O O . LYS B 1 557 ? -25.890 8.102 23.005 1.00 42.07 ? 557 LYS B O 1 ATOM 9493 C CB . LYS B 1 557 ? -24.748 4.980 22.420 1.00 42.25 ? 557 LYS B CB 1 ATOM 9494 C CG . LYS B 1 557 ? -26.232 4.760 22.161 1.00 44.25 ? 557 LYS B CG 1 ATOM 9495 C CD . LYS B 1 557 ? -26.475 4.164 20.785 1.00 45.49 ? 557 LYS B CD 1 ATOM 9496 C CE . LYS B 1 557 ? -27.872 4.473 20.272 1.00 47.93 ? 557 LYS B CE 1 ATOM 9497 N NZ . LYS B 1 557 ? -28.941 4.038 21.212 1.00 48.31 ? 557 LYS B NZ 1 ATOM 9498 N N . ASP B 1 558 ? -24.631 7.146 24.630 1.00 42.03 ? 558 ASP B N 1 ATOM 9499 C CA . ASP B 1 558 ? -25.151 7.944 25.746 1.00 42.81 ? 558 ASP B CA 1 ATOM 9500 C C . ASP B 1 558 ? -24.985 9.442 25.523 1.00 42.23 ? 558 ASP B C 1 ATOM 9501 O O . ASP B 1 558 ? -25.804 10.237 25.980 1.00 40.98 ? 558 ASP B O 1 ATOM 9502 C CB . ASP B 1 558 ? -24.432 7.581 27.050 1.00 44.67 ? 558 ASP B CB 1 ATOM 9503 C CG . ASP B 1 558 ? -24.918 6.269 27.664 1.00 48.40 ? 558 ASP B CG 1 ATOM 9504 O OD1 . ASP B 1 558 ? -25.695 5.525 27.025 1.00 51.44 ? 558 ASP B OD1 1 ATOM 9505 O OD2 . ASP B 1 558 ? -24.511 5.983 28.811 1.00 50.56 ? 558 ASP B OD2 1 ATOM 9506 N N . MET B 1 559 ? -23.912 9.820 24.829 1.00 40.37 ? 559 MET B N 1 ATOM 9507 C CA . MET B 1 559 ? -23.602 11.227 24.623 1.00 40.26 ? 559 MET B CA 1 ATOM 9508 C C . MET B 1 559 ? -24.195 11.790 23.329 1.00 40.60 ? 559 MET B C 1 ATOM 9509 O O . MET B 1 559 ? -24.780 12.875 23.335 1.00 41.04 ? 559 MET B O 1 ATOM 9510 C CB . MET B 1 559 ? -22.089 11.438 24.640 1.00 40.81 ? 559 MET B CB 1 ATOM 9511 C CG . MET B 1 559 ? -21.673 12.891 24.813 1.00 41.59 ? 559 MET B CG 1 ATOM 9512 S SD . MET B 1 559 ? -20.079 13.185 24.031 1.00 43.59 ? 559 MET B SD 1 ATOM 9513 C CE . MET B 1 559 ? -19.637 14.766 24.754 1.00 41.37 ? 559 MET B CE 1 ATOM 9514 N N . VAL B 1 560 ? -24.052 11.049 22.231 1.00 39.08 ? 560 VAL B N 1 ATOM 9515 C CA . VAL B 1 560 ? -24.324 11.597 20.910 1.00 40.62 ? 560 VAL B CA 1 ATOM 9516 C C . VAL B 1 560 ? -25.579 11.016 20.252 1.00 41.27 ? 560 VAL B C 1 ATOM 9517 O O . VAL B 1 560 ? -26.082 11.569 19.277 1.00 42.26 ? 560 VAL B O 1 ATOM 9518 C CB . VAL B 1 560 ? -23.072 11.503 19.984 1.00 40.82 ? 560 VAL B CB 1 ATOM 9519 C CG1 . VAL B 1 560 ? -22.984 10.164 19.259 1.00 39.20 ? 560 VAL B CG1 1 ATOM 9520 C CG2 . VAL B 1 560 ? -23.064 12.639 18.978 1.00 41.07 ? 560 VAL B CG2 1 ATOM 9521 N N . GLY B 1 561 ? -26.084 9.913 20.798 1.00 42.49 ? 561 GLY B N 1 ATOM 9522 C CA . GLY B 1 561 ? -27.257 9.224 20.230 1.00 43.50 ? 561 GLY B CA 1 ATOM 9523 C C . GLY B 1 561 ? -26.895 8.124 19.246 1.00 44.80 ? 561 GLY B C 1 ATOM 9524 O O . GLY B 1 561 ? -27.776 7.460 18.681 1.00 46.21 ? 561 GLY B O 1 ATOM 9525 N N . LEU B 1 562 ? -25.595 7.922 19.049 1.00 44.56 ? 562 LEU B N 1 ATOM 9526 C CA . LEU B 1 562 ? -25.084 6.973 18.065 1.00 45.75 ? 562 LEU B CA 1 ATOM 9527 C C . LEU B 1 562 ? -23.878 6.224 18.642 1.00 43.97 ? 562 LEU B C 1 ATOM 9528 O O . LEU B 1 562 ? -23.147 6.768 19.470 1.00 43.96 ? 562 LEU B O 1 ATOM 9529 C CB . LEU B 1 562 ? -24.682 7.737 16.800 1.00 48.10 ? 562 LEU B CB 1 ATOM 9530 C CG . LEU B 1 562 ? -24.339 6.986 15.516 1.00 50.02 ? 562 LEU B CG 1 ATOM 9531 C CD1 . LEU B 1 562 ? -25.609 6.550 14.795 1.00 51.85 ? 562 LEU B CD1 1 ATOM 9532 C CD2 . LEU B 1 562 ? -23.491 7.886 14.631 1.00 50.41 ? 562 LEU B CD2 1 ATOM 9533 N N . ASP B 1 563 ? -23.661 4.990 18.193 1.00 42.29 ? 563 ASP B N 1 ATOM 9534 C CA . ASP B 1 563 ? -22.603 4.146 18.751 1.00 40.42 ? 563 ASP B CA 1 ATOM 9535 C C . ASP B 1 563 ? -21.406 3.973 17.809 1.00 39.09 ? 563 ASP B C 1 ATOM 9536 O O . ASP B 1 563 ? -20.597 3.058 17.975 1.00 38.64 ? 563 ASP B O 1 ATOM 9537 C CB . ASP B 1 563 ? -23.162 2.784 19.196 1.00 43.18 ? 563 ASP B CB 1 ATOM 9538 C CG . ASP B 1 563 ? -23.597 1.896 18.022 1.00 45.08 ? 563 ASP B CG 1 ATOM 9539 O OD1 . ASP B 1 563 ? -23.914 2.414 16.923 1.00 45.74 ? 563 ASP B OD1 1 ATOM 9540 O OD2 . ASP B 1 563 ? -23.625 0.660 18.213 1.00 45.79 ? 563 ASP B OD2 1 ATOM 9541 N N . ALA B 1 564 ? -21.295 4.857 16.822 1.00 36.49 ? 564 ALA B N 1 ATOM 9542 C CA . ALA B 1 564 ? -20.170 4.812 15.905 1.00 35.59 ? 564 ALA B CA 1 ATOM 9543 C C . ALA B 1 564 ? -19.643 6.204 15.567 1.00 34.07 ? 564 ALA B C 1 ATOM 9544 O O . ALA B 1 564 ? -20.363 7.199 15.691 1.00 32.45 ? 564 ALA B O 1 ATOM 9545 C CB . ALA B 1 564 ? -20.553 4.063 14.636 1.00 35.63 ? 564 ALA B CB 1 ATOM 9546 N N . LEU B 1 565 ? -18.384 6.253 15.130 1.00 33.09 ? 565 LEU B N 1 ATOM 9547 C CA . LEU B 1 565 ? -17.808 7.461 14.538 1.00 32.76 ? 565 LEU B CA 1 ATOM 9548 C C . LEU B 1 565 ? -18.599 7.839 13.304 1.00 33.59 ? 565 LEU B C 1 ATOM 9549 O O . LEU B 1 565 ? -19.005 6.973 12.533 1.00 33.51 ? 565 LEU B O 1 ATOM 9550 C CB . LEU B 1 565 ? -16.341 7.238 14.156 1.00 31.33 ? 565 LEU B CB 1 ATOM 9551 C CG . LEU B 1 565 ? -15.370 6.842 15.273 1.00 30.62 ? 565 LEU B CG 1 ATOM 9552 C CD1 . LEU B 1 565 ? -13.966 6.660 14.715 1.00 31.33 ? 565 LEU B CD1 1 ATOM 9553 C CD2 . LEU B 1 565 ? -15.367 7.875 16.391 1.00 30.69 ? 565 LEU B CD2 1 ATOM 9554 N N . ASP B 1 566 ? -18.812 9.136 13.119 1.00 33.96 ? 566 ASP B N 1 ATOM 9555 C CA . ASP B 1 566 ? -19.648 9.627 12.043 1.00 35.10 ? 566 ASP B CA 1 ATOM 9556 C C . ASP B 1 566 ? -19.128 10.987 11.579 1.00 34.41 ? 566 ASP B C 1 ATOM 9557 O O . ASP B 1 566 ? -18.927 11.903 12.387 1.00 33.17 ? 566 ASP B O 1 ATOM 9558 C CB . ASP B 1 566 ? -21.102 9.721 12.524 1.00 38.17 ? 566 ASP B CB 1 ATOM 9559 C CG . ASP B 1 566 ? -22.056 10.256 11.465 1.00 40.99 ? 566 ASP B CG 1 ATOM 9560 O OD1 . ASP B 1 566 ? -21.700 10.321 10.270 1.00 42.95 ? 566 ASP B OD1 1 ATOM 9561 O OD2 . ASP B 1 566 ? -23.191 10.612 11.837 1.00 44.78 ? 566 ASP B OD2 1 ATOM 9562 N N . ALA B 1 567 ? -18.923 11.104 10.272 1.00 32.59 ? 567 ALA B N 1 ATOM 9563 C CA . ALA B 1 567 ? -18.382 12.323 9.666 1.00 32.15 ? 567 ALA B CA 1 ATOM 9564 C C . ALA B 1 567 ? -19.434 13.428 9.474 1.00 31.61 ? 567 ALA B C 1 ATOM 9565 O O . ALA B 1 567 ? -19.095 14.562 9.142 1.00 31.39 ? 567 ALA B O 1 ATOM 9566 C CB . ALA B 1 567 ? -17.728 11.983 8.334 1.00 31.05 ? 567 ALA B CB 1 ATOM 9567 N N . GLN B 1 568 ? -20.707 13.094 9.668 1.00 32.32 ? 568 GLN B N 1 ATOM 9568 C CA . GLN B 1 568 ? -21.786 14.019 9.351 1.00 33.20 ? 568 GLN B CA 1 ATOM 9569 C C . GLN B 1 568 ? -21.719 15.338 10.137 1.00 31.10 ? 568 GLN B C 1 ATOM 9570 O O . GLN B 1 568 ? -21.851 16.415 9.538 1.00 30.65 ? 568 GLN B O 1 ATOM 9571 C CB . GLN B 1 568 ? -23.160 13.347 9.507 1.00 36.85 ? 568 GLN B CB 1 ATOM 9572 C CG . GLN B 1 568 ? -24.265 14.035 8.722 1.00 40.58 ? 568 GLN B CG 1 ATOM 9573 C CD . GLN B 1 568 ? -24.011 14.003 7.223 1.00 43.45 ? 568 GLN B CD 1 ATOM 9574 O OE1 . GLN B 1 568 ? -23.602 12.976 6.667 1.00 44.42 ? 568 GLN B OE1 1 ATOM 9575 N NE2 . GLN B 1 568 ? -24.235 15.134 6.563 1.00 46.17 ? 568 GLN B NE2 1 ATOM 9576 N N . PRO B 1 569 ? -21.500 15.274 11.468 1.00 30.28 ? 569 PRO B N 1 ATOM 9577 C CA . PRO B 1 569 ? -21.366 16.547 12.201 1.00 29.34 ? 569 PRO B CA 1 ATOM 9578 C C . PRO B 1 569 ? -20.245 17.447 11.659 1.00 28.17 ? 569 PRO B C 1 ATOM 9579 O O . PRO B 1 569 ? -20.451 18.659 11.487 1.00 27.74 ? 569 PRO B O 1 ATOM 9580 C CB . PRO B 1 569 ? -21.073 16.089 13.631 1.00 29.50 ? 569 PRO B CB 1 ATOM 9581 C CG . PRO B 1 569 ? -21.782 14.778 13.733 1.00 29.66 ? 569 PRO B CG 1 ATOM 9582 C CD . PRO B 1 569 ? -21.539 14.123 12.395 1.00 29.84 ? 569 PRO B CD 1 ATOM 9583 N N . LEU B 1 570 ? -19.090 16.856 11.360 1.00 27.01 ? 570 LEU B N 1 ATOM 9584 C CA . LEU B 1 570 ? -17.989 17.603 10.753 1.00 26.46 ? 570 LEU B CA 1 ATOM 9585 C C . LEU B 1 570 ? -18.432 18.251 9.438 1.00 26.97 ? 570 LEU B C 1 ATOM 9586 O O . LEU B 1 570 ? -18.252 19.453 9.244 1.00 26.98 ? 570 LEU B O 1 ATOM 9587 C CB . LEU B 1 570 ? -16.751 16.712 10.555 1.00 25.17 ? 570 LEU B CB 1 ATOM 9588 C CG . LEU B 1 570 ? -15.454 17.399 10.092 1.00 24.73 ? 570 LEU B CG 1 ATOM 9589 C CD1 . LEU B 1 570 ? -14.229 16.602 10.518 1.00 24.76 ? 570 LEU B CD1 1 ATOM 9590 C CD2 . LEU B 1 570 ? -15.423 17.659 8.593 1.00 25.02 ? 570 LEU B CD2 1 ATOM 9591 N N . LEU B 1 571 ? -19.022 17.452 8.552 1.00 28.25 ? 571 LEU B N 1 ATOM 9592 C CA . LEU B 1 571 ? -19.543 17.934 7.276 1.00 29.10 ? 571 LEU B CA 1 ATOM 9593 C C . LEU B 1 571 ? -20.560 19.081 7.451 1.00 30.24 ? 571 LEU B C 1 ATOM 9594 O O . LEU B 1 571 ? -20.511 20.098 6.744 1.00 29.93 ? 571 LEU B O 1 ATOM 9595 C CB . LEU B 1 571 ? -20.173 16.767 6.506 1.00 29.79 ? 571 LEU B CB 1 ATOM 9596 C CG . LEU B 1 571 ? -19.220 15.704 5.935 1.00 29.75 ? 571 LEU B CG 1 ATOM 9597 C CD1 . LEU B 1 571 ? -19.993 14.553 5.303 1.00 30.26 ? 571 LEU B CD1 1 ATOM 9598 C CD2 . LEU B 1 571 ? -18.291 16.326 4.909 1.00 29.16 ? 571 LEU B CD2 1 ATOM 9599 N N . LYS B 1 572 ? -21.461 18.910 8.411 1.00 31.30 ? 572 LYS B N 1 ATOM 9600 C CA . LYS B 1 572 ? -22.495 19.899 8.707 1.00 32.93 ? 572 LYS B CA 1 ATOM 9601 C C . LYS B 1 572 ? -21.880 21.215 9.188 1.00 31.58 ? 572 LYS B C 1 ATOM 9602 O O . LYS B 1 572 ? -22.341 22.295 8.808 1.00 31.31 ? 572 LYS B O 1 ATOM 9603 C CB . LYS B 1 572 ? -23.459 19.342 9.747 1.00 35.62 ? 572 LYS B CB 1 ATOM 9604 C CG . LYS B 1 572 ? -24.714 20.174 9.957 1.00 40.68 ? 572 LYS B CG 1 ATOM 9605 C CD . LYS B 1 572 ? -25.487 19.647 11.152 1.00 43.16 ? 572 LYS B CD 1 ATOM 9606 C CE . LYS B 1 572 ? -26.468 20.681 11.683 1.00 46.57 ? 572 LYS B CE 1 ATOM 9607 N NZ . LYS B 1 572 ? -27.458 20.017 12.577 1.00 47.88 ? 572 LYS B NZ 1 ATOM 9608 N N . TYR B 1 573 ? -20.820 21.111 9.990 1.00 29.74 ? 573 TYR B N 1 ATOM 9609 C CA . TYR B 1 573 ? -20.115 22.272 10.536 1.00 28.20 ? 573 TYR B CA 1 ATOM 9610 C C . TYR B 1 573 ? -19.538 23.113 9.399 1.00 28.62 ? 573 TYR B C 1 ATOM 9611 O O . TYR B 1 573 ? -19.660 24.341 9.401 1.00 29.13 ? 573 TYR B O 1 ATOM 9612 C CB . TYR B 1 573 ? -19.004 21.793 11.493 1.00 26.96 ? 573 TYR B CB 1 ATOM 9613 C CG . TYR B 1 573 ? -18.171 22.884 12.142 1.00 25.99 ? 573 TYR B CG 1 ATOM 9614 C CD1 . TYR B 1 573 ? -17.129 23.493 11.450 1.00 25.67 ? 573 TYR B CD1 1 ATOM 9615 C CD2 . TYR B 1 573 ? -18.409 23.278 13.460 1.00 25.84 ? 573 TYR B CD2 1 ATOM 9616 C CE1 . TYR B 1 573 ? -16.355 24.477 12.036 1.00 25.34 ? 573 TYR B CE1 1 ATOM 9617 C CE2 . TYR B 1 573 ? -17.639 24.269 14.068 1.00 25.40 ? 573 TYR B CE2 1 ATOM 9618 C CZ . TYR B 1 573 ? -16.620 24.868 13.343 1.00 25.56 ? 573 TYR B CZ 1 ATOM 9619 O OH . TYR B 1 573 ? -15.837 25.843 13.896 1.00 25.71 ? 573 TYR B OH 1 ATOM 9620 N N . PHE B 1 574 ? -18.942 22.438 8.419 1.00 27.76 ? 574 PHE B N 1 ATOM 9621 C CA . PHE B 1 574 ? -18.229 23.094 7.322 1.00 28.83 ? 574 PHE B CA 1 ATOM 9622 C C . PHE B 1 574 ? -19.035 23.365 6.034 1.00 30.24 ? 574 PHE B C 1 ATOM 9623 O O . PHE B 1 574 ? -18.522 24.008 5.115 1.00 30.93 ? 574 PHE B O 1 ATOM 9624 C CB . PHE B 1 574 ? -16.946 22.315 6.987 1.00 27.14 ? 574 PHE B CB 1 ATOM 9625 C CG . PHE B 1 574 ? -15.842 22.509 7.991 1.00 26.33 ? 574 PHE B CG 1 ATOM 9626 C CD1 . PHE B 1 574 ? -15.121 23.698 8.029 1.00 25.97 ? 574 PHE B CD1 1 ATOM 9627 C CD2 . PHE B 1 574 ? -15.514 21.497 8.884 1.00 25.67 ? 574 PHE B CD2 1 ATOM 9628 C CE1 . PHE B 1 574 ? -14.103 23.890 8.955 1.00 25.11 ? 574 PHE B CE1 1 ATOM 9629 C CE2 . PHE B 1 574 ? -14.494 21.673 9.807 1.00 25.26 ? 574 PHE B CE2 1 ATOM 9630 C CZ . PHE B 1 574 ? -13.784 22.872 9.839 1.00 25.12 ? 574 PHE B CZ 1 ATOM 9631 N N . GLN B 1 575 ? -20.276 22.877 5.980 1.00 32.02 ? 575 GLN B N 1 ATOM 9632 C CA . GLN B 1 575 ? -21.184 23.014 4.808 1.00 33.88 ? 575 GLN B CA 1 ATOM 9633 C C . GLN B 1 575 ? -20.981 24.217 3.884 1.00 33.73 ? 575 GLN B C 1 ATOM 9634 O O . GLN B 1 575 ? -20.851 24.055 2.668 1.00 33.36 ? 575 GLN B O 1 ATOM 9635 C CB . GLN B 1 575 ? -22.634 23.032 5.273 1.00 36.75 ? 575 GLN B CB 1 ATOM 9636 C CG . GLN B 1 575 ? -23.276 21.669 5.426 1.00 40.93 ? 575 GLN B CG 1 ATOM 9637 C CD . GLN B 1 575 ? -24.712 21.759 5.931 1.00 43.94 ? 575 GLN B CD 1 ATOM 9638 O OE1 . GLN B 1 575 ? -25.072 22.676 6.686 1.00 46.12 ? 575 GLN B OE1 1 ATOM 9639 N NE2 . GLN B 1 575 ? -25.540 20.796 5.529 1.00 45.59 ? 575 GLN B NE2 1 ATOM 9640 N N . LEU B 1 576 ? -20.994 25.416 4.462 1.00 32.37 ? 576 LEU B N 1 ATOM 9641 C CA . LEU B 1 576 ? -20.957 26.664 3.697 1.00 33.44 ? 576 LEU B CA 1 ATOM 9642 C C . LEU B 1 576 ? -19.641 26.902 2.975 1.00 32.96 ? 576 LEU B C 1 ATOM 9643 O O . LEU B 1 576 ? -19.630 27.398 1.845 1.00 32.27 ? 576 LEU B O 1 ATOM 9644 C CB . LEU B 1 576 ? -21.243 27.869 4.603 1.00 34.26 ? 576 LEU B CB 1 ATOM 9645 C CG . LEU B 1 576 ? -22.682 28.106 5.062 1.00 35.31 ? 576 LEU B CG 1 ATOM 9646 C CD1 . LEU B 1 576 ? -22.718 29.139 6.187 1.00 34.51 ? 576 LEU B CD1 1 ATOM 9647 C CD2 . LEU B 1 576 ? -23.569 28.529 3.894 1.00 36.10 ? 576 LEU B CD2 1 ATOM 9648 N N . VAL B 1 577 ? -18.535 26.563 3.636 1.00 31.71 ? 577 VAL B N 1 ATOM 9649 C CA . VAL B 1 577 ? -17.224 26.818 3.066 1.00 31.45 ? 577 VAL B CA 1 ATOM 9650 C C . VAL B 1 577 ? -16.883 25.705 2.074 1.00 31.81 ? 577 VAL B C 1 ATOM 9651 O O . VAL B 1 577 ? -16.128 25.921 1.132 1.00 31.80 ? 577 VAL B O 1 ATOM 9652 C CB . VAL B 1 577 ? -16.138 27.035 4.146 1.00 29.98 ? 577 VAL B CB 1 ATOM 9653 C CG1 . VAL B 1 577 ? -15.744 25.730 4.824 1.00 29.40 ? 577 VAL B CG1 1 ATOM 9654 C CG2 . VAL B 1 577 ? -14.919 27.732 3.555 1.00 30.23 ? 577 VAL B CG2 1 ATOM 9655 N N . THR B 1 578 ? -17.471 24.532 2.290 1.00 31.61 ? 578 THR B N 1 ATOM 9656 C CA . THR B 1 578 ? -17.351 23.423 1.364 1.00 33.39 ? 578 THR B CA 1 ATOM 9657 C C . THR B 1 578 ? -17.957 23.827 0.020 1.00 34.08 ? 578 THR B C 1 ATOM 9658 O O . THR B 1 578 ? -17.339 23.635 -1.029 1.00 32.59 ? 578 THR B O 1 ATOM 9659 C CB . THR B 1 578 ? -18.068 22.179 1.914 1.00 33.11 ? 578 THR B CB 1 ATOM 9660 O OG1 . THR B 1 578 ? -17.435 21.784 3.136 1.00 32.57 ? 578 THR B OG1 1 ATOM 9661 C CG2 . THR B 1 578 ? -18.001 21.031 0.922 1.00 33.59 ? 578 THR B CG2 1 ATOM 9662 N N . GLN B 1 579 ? -19.156 24.403 0.072 1.00 34.88 ? 579 GLN B N 1 ATOM 9663 C CA . GLN B 1 579 ? -19.835 24.905 -1.118 1.00 37.15 ? 579 GLN B CA 1 ATOM 9664 C C . GLN B 1 579 ? -19.051 26.067 -1.760 1.00 36.77 ? 579 GLN B C 1 ATOM 9665 O O . GLN B 1 579 ? -18.754 26.042 -2.957 1.00 36.20 ? 579 GLN B O 1 ATOM 9666 C CB . GLN B 1 579 ? -21.269 25.310 -0.766 1.00 39.75 ? 579 GLN B CB 1 ATOM 9667 C CG . GLN B 1 579 ? -22.069 25.931 -1.909 1.00 44.71 ? 579 GLN B CG 1 ATOM 9668 C CD . GLN B 1 579 ? -22.564 24.933 -2.952 1.00 47.44 ? 579 GLN B CD 1 ATOM 9669 O OE1 . GLN B 1 579 ? -22.278 23.730 -2.892 1.00 49.71 ? 579 GLN B OE1 1 ATOM 9670 N NE2 . GLN B 1 579 ? -23.313 25.438 -3.926 1.00 49.10 ? 579 GLN B NE2 1 ATOM 9671 N N . TRP B 1 580 ? -18.699 27.068 -0.960 1.00 35.24 ? 580 TRP B N 1 ATOM 9672 C CA . TRP B 1 580 ? -17.902 28.196 -1.453 1.00 35.85 ? 580 TRP B CA 1 ATOM 9673 C C . TRP B 1 580 ? -16.593 27.762 -2.137 1.00 35.91 ? 580 TRP B C 1 ATOM 9674 O O . TRP B 1 580 ? -16.255 28.276 -3.213 1.00 35.76 ? 580 TRP B O 1 ATOM 9675 C CB . TRP B 1 580 ? -17.600 29.167 -0.316 1.00 34.62 ? 580 TRP B CB 1 ATOM 9676 C CG . TRP B 1 580 ? -16.995 30.470 -0.736 1.00 34.67 ? 580 TRP B CG 1 ATOM 9677 C CD1 . TRP B 1 580 ? -17.663 31.578 -1.163 1.00 35.30 ? 580 TRP B CD1 1 ATOM 9678 C CD2 . TRP B 1 580 ? -15.599 30.817 -0.734 1.00 34.55 ? 580 TRP B CD2 1 ATOM 9679 N NE1 . TRP B 1 580 ? -16.775 32.596 -1.431 1.00 35.31 ? 580 TRP B NE1 1 ATOM 9680 C CE2 . TRP B 1 580 ? -15.502 32.157 -1.184 1.00 35.63 ? 580 TRP B CE2 1 ATOM 9681 C CE3 . TRP B 1 580 ? -14.426 30.129 -0.403 1.00 33.76 ? 580 TRP B CE3 1 ATOM 9682 C CZ2 . TRP B 1 580 ? -14.267 32.826 -1.314 1.00 35.85 ? 580 TRP B CZ2 1 ATOM 9683 C CZ3 . TRP B 1 580 ? -13.197 30.793 -0.524 1.00 34.82 ? 580 TRP B CZ3 1 ATOM 9684 C CH2 . TRP B 1 580 ? -13.131 32.132 -0.980 1.00 35.34 ? 580 TRP B CH2 1 ATOM 9685 N N . LEU B 1 581 ? -15.867 26.830 -1.512 1.00 35.03 ? 581 LEU B N 1 ATOM 9686 C CA . LEU B 1 581 ? -14.586 26.363 -2.043 1.00 34.22 ? 581 LEU B CA 1 ATOM 9687 C C . LEU B 1 581 ? -14.730 25.676 -3.401 1.00 35.08 ? 581 LEU B C 1 ATOM 9688 O O . LEU B 1 581 ? -13.925 25.925 -4.304 1.00 34.47 ? 581 LEU B O 1 ATOM 9689 C CB . LEU B 1 581 ? -13.846 25.463 -1.037 1.00 32.66 ? 581 LEU B CB 1 ATOM 9690 C CG . LEU B 1 581 ? -13.162 26.191 0.126 1.00 31.88 ? 581 LEU B CG 1 ATOM 9691 C CD1 . LEU B 1 581 ? -12.714 25.224 1.219 1.00 30.44 ? 581 LEU B CD1 1 ATOM 9692 C CD2 . LEU B 1 581 ? -11.987 27.010 -0.371 1.00 32.49 ? 581 LEU B CD2 1 ATOM 9693 N N . GLN B 1 582 ? -15.740 24.818 -3.537 1.00 35.44 ? 582 GLN B N 1 ATOM 9694 C CA . GLN B 1 582 ? -16.056 24.188 -4.819 1.00 37.93 ? 582 GLN B CA 1 ATOM 9695 C C . GLN B 1 582 ? -16.272 25.251 -5.890 1.00 38.41 ? 582 GLN B C 1 ATOM 9696 O O . GLN B 1 582 ? -15.635 25.210 -6.946 1.00 36.76 ? 582 GLN B O 1 ATOM 9697 C CB . GLN B 1 582 ? -17.292 23.290 -4.713 1.00 39.00 ? 582 GLN B CB 1 ATOM 9698 C CG . GLN B 1 582 ? -17.020 22.014 -3.942 1.00 41.54 ? 582 GLN B CG 1 ATOM 9699 C CD . GLN B 1 582 ? -18.184 21.044 -3.954 1.00 43.87 ? 582 GLN B CD 1 ATOM 9700 O OE1 . GLN B 1 582 ? -18.056 19.911 -4.422 1.00 45.25 ? 582 GLN B OE1 1 ATOM 9701 N NE2 . GLN B 1 582 ? -19.322 21.477 -3.430 1.00 45.10 ? 582 GLN B NE2 1 ATOM 9702 N N . GLU B 1 583 ? -17.143 26.212 -5.587 1.00 38.27 ? 583 GLU B N 1 ATOM 9703 C CA . GLU B 1 583 ? -17.459 27.287 -6.516 1.00 41.13 ? 583 GLU B CA 1 ATOM 9704 C C . GLU B 1 583 ? -16.211 28.060 -6.926 1.00 40.46 ? 583 GLU B C 1 ATOM 9705 O O . GLU B 1 583 ? -15.993 28.268 -8.115 1.00 41.95 ? 583 GLU B O 1 ATOM 9706 C CB . GLU B 1 583 ? -18.521 28.223 -5.937 1.00 43.38 ? 583 GLU B CB 1 ATOM 9707 C CG . GLU B 1 583 ? -19.893 27.577 -5.783 1.00 46.48 ? 583 GLU B CG 1 ATOM 9708 C CD . GLU B 1 583 ? -20.819 28.361 -4.860 1.00 49.47 ? 583 GLU B CD 1 ATOM 9709 O OE1 . GLU B 1 583 ? -20.361 29.340 -4.226 1.00 49.42 ? 583 GLU B OE1 1 ATOM 9710 O OE2 . GLU B 1 583 ? -22.009 27.991 -4.762 1.00 50.76 ? 583 GLU B OE2 1 ATOM 9711 N N . GLN B 1 584 ? -15.386 28.463 -5.956 1.00 38.63 ? 584 GLN B N 1 ATOM 9712 C CA . GLN B 1 584 ? -14.128 29.180 -6.261 1.00 38.76 ? 584 GLN B CA 1 ATOM 9713 C C . GLN B 1 584 ? -13.205 28.412 -7.219 1.00 37.41 ? 584 GLN B C 1 ATOM 9714 O O . GLN B 1 584 ? -12.609 29.000 -8.134 1.00 35.32 ? 584 GLN B O 1 ATOM 9715 C CB . GLN B 1 584 ? -13.359 29.531 -4.984 1.00 38.84 ? 584 GLN B CB 1 ATOM 9716 C CG . GLN B 1 584 ? -14.143 30.373 -3.996 1.00 40.56 ? 584 GLN B CG 1 ATOM 9717 C CD . GLN B 1 584 ? -14.792 31.577 -4.641 1.00 42.16 ? 584 GLN B CD 1 ATOM 9718 O OE1 . GLN B 1 584 ? -14.106 32.506 -5.076 1.00 42.71 ? 584 GLN B OE1 1 ATOM 9719 N NE2 . GLN B 1 584 ? -16.122 31.567 -4.711 1.00 43.00 ? 584 GLN B NE2 1 ATOM 9720 N N . ASN B 1 585 ? -13.096 27.105 -6.982 1.00 36.22 ? 585 ASN B N 1 ATOM 9721 C CA . ASN B 1 585 ? -12.272 26.220 -7.792 1.00 36.38 ? 585 ASN B CA 1 ATOM 9722 C C . ASN B 1 585 ? -12.818 26.013 -9.193 1.00 37.98 ? 585 ASN B C 1 ATOM 9723 O O . ASN B 1 585 ? -12.045 25.991 -10.142 1.00 38.00 ? 585 ASN B O 1 ATOM 9724 C CB . ASN B 1 585 ? -12.088 24.864 -7.107 1.00 34.92 ? 585 ASN B CB 1 ATOM 9725 C CG . ASN B 1 585 ? -11.348 24.973 -5.792 1.00 33.52 ? 585 ASN B CG 1 ATOM 9726 O OD1 . ASN B 1 585 ? -10.483 25.836 -5.612 1.00 33.14 ? 585 ASN B OD1 1 ATOM 9727 N ND2 . ASN B 1 585 ? -11.686 24.095 -4.864 1.00 32.21 ? 585 ASN B ND2 1 ATOM 9728 N N . GLN B 1 586 ? -14.136 25.834 -9.311 1.00 40.11 ? 586 GLN B N 1 ATOM 9729 C CA . GLN B 1 586 ? -14.808 25.765 -10.616 1.00 43.06 ? 586 GLN B CA 1 ATOM 9730 C C . GLN B 1 586 ? -14.565 27.023 -11.454 1.00 43.33 ? 586 GLN B C 1 ATOM 9731 O O . GLN B 1 586 ? -14.114 26.925 -12.596 1.00 42.19 ? 586 GLN B O 1 ATOM 9732 C CB . GLN B 1 586 ? -16.307 25.495 -10.452 1.00 44.76 ? 586 GLN B CB 1 ATOM 9733 C CG . GLN B 1 586 ? -16.625 24.020 -10.255 1.00 48.30 ? 586 GLN B CG 1 ATOM 9734 C CD . GLN B 1 586 ? -17.886 23.772 -9.447 1.00 50.94 ? 586 GLN B CD 1 ATOM 9735 O OE1 . GLN B 1 586 ? -18.814 24.580 -9.446 1.00 54.22 ? 586 GLN B OE1 1 ATOM 9736 N NE2 . GLN B 1 586 ? -17.924 22.640 -8.752 1.00 51.36 ? 586 GLN B NE2 1 ATOM 9737 N N . GLN B 1 587 ? -14.834 28.189 -10.865 1.00 43.59 ? 587 GLN B N 1 ATOM 9738 C CA . GLN B 1 587 ? -14.587 29.489 -11.501 1.00 45.34 ? 587 GLN B CA 1 ATOM 9739 C C . GLN B 1 587 ? -13.124 29.686 -11.910 1.00 44.30 ? 587 GLN B C 1 ATOM 9740 O O . GLN B 1 587 ? -12.837 30.316 -12.936 1.00 43.60 ? 587 GLN B O 1 ATOM 9741 C CB . GLN B 1 587 ? -15.012 30.632 -10.572 1.00 47.45 ? 587 GLN B CB 1 ATOM 9742 C CG . GLN B 1 587 ? -16.518 30.828 -10.466 1.00 51.65 ? 587 GLN B CG 1 ATOM 9743 C CD . GLN B 1 587 ? -16.923 31.756 -9.328 1.00 54.18 ? 587 GLN B CD 1 ATOM 9744 O OE1 . GLN B 1 587 ? -16.105 32.510 -8.790 1.00 55.35 ? 587 GLN B OE1 1 ATOM 9745 N NE2 . GLN B 1 587 ? -18.198 31.702 -8.955 1.00 55.48 ? 587 GLN B NE2 1 ATOM 9746 N N . ASN B 1 588 ? -12.207 29.156 -11.102 1.00 42.07 ? 588 ASN B N 1 ATOM 9747 C CA . ASN B 1 588 ? -10.785 29.194 -11.431 1.00 41.11 ? 588 ASN B CA 1 ATOM 9748 C C . ASN B 1 588 ? -10.349 28.069 -12.370 1.00 39.92 ? 588 ASN B C 1 ATOM 9749 O O . ASN B 1 588 ? -9.188 28.020 -12.793 1.00 39.47 ? 588 ASN B O 1 ATOM 9750 C CB . ASN B 1 588 ? -9.934 29.201 -10.159 1.00 41.11 ? 588 ASN B CB 1 ATOM 9751 C CG . ASN B 1 588 ? -9.752 30.597 -9.588 1.00 42.32 ? 588 ASN B CG 1 ATOM 9752 O OD1 . ASN B 1 588 ? -9.538 31.556 -10.328 1.00 43.45 ? 588 ASN B OD1 1 ATOM 9753 N ND2 . ASN B 1 588 ? -9.834 30.716 -8.268 1.00 41.21 ? 588 ASN B ND2 1 ATOM 9754 N N . GLY B 1 589 ? -11.284 27.174 -12.690 1.00 38.50 ? 589 GLY B N 1 ATOM 9755 C CA . GLY B 1 589 ? -11.007 26.039 -13.564 1.00 38.23 ? 589 GLY B CA 1 ATOM 9756 C C . GLY B 1 589 ? -9.903 25.163 -13.009 1.00 37.56 ? 589 GLY B C 1 ATOM 9757 O O . GLY B 1 589 ? -9.036 24.699 -13.756 1.00 37.10 ? 589 GLY B O 1 ATOM 9758 N N . GLU B 1 590 ? -9.933 24.958 -11.690 1.00 35.72 ? 590 GLU B N 1 ATOM 9759 C CA . GLU B 1 590 ? -8.938 24.153 -10.989 1.00 35.07 ? 590 GLU B CA 1 ATOM 9760 C C . GLU B 1 590 ? -9.094 22.675 -11.303 1.00 35.30 ? 590 GLU B C 1 ATOM 9761 O O . GLU B 1 590 ? -10.193 22.187 -11.575 1.00 35.49 ? 590 GLU B O 1 ATOM 9762 C CB . GLU B 1 590 ? -9.023 24.349 -9.461 1.00 33.81 ? 590 GLU B CB 1 ATOM 9763 C CG . GLU B 1 590 ? -8.848 25.779 -8.960 1.00 33.15 ? 590 GLU B CG 1 ATOM 9764 C CD . GLU B 1 590 ? -7.443 26.332 -9.123 1.00 33.41 ? 590 GLU B CD 1 ATOM 9765 O OE1 . GLU B 1 590 ? -6.568 25.651 -9.692 1.00 32.73 ? 590 GLU B OE1 1 ATOM 9766 O OE2 . GLU B 1 590 ? -7.211 27.477 -8.689 1.00 33.77 ? 590 GLU B OE2 1 ATOM 9767 N N . VAL B 1 591 ? -7.969 21.978 -11.264 1.00 34.86 ? 591 VAL B N 1 ATOM 9768 C CA . VAL B 1 591 ? -7.952 20.533 -11.285 1.00 35.25 ? 591 VAL B CA 1 ATOM 9769 C C . VAL B 1 591 ? -7.876 20.100 -9.823 1.00 34.35 ? 591 VAL B C 1 ATOM 9770 O O . VAL B 1 591 ? -6.967 20.515 -9.098 1.00 35.39 ? 591 VAL B O 1 ATOM 9771 C CB . VAL B 1 591 ? -6.733 20.024 -12.077 1.00 34.79 ? 591 VAL B CB 1 ATOM 9772 C CG1 . VAL B 1 591 ? -6.600 18.515 -11.962 1.00 34.35 ? 591 VAL B CG1 1 ATOM 9773 C CG2 . VAL B 1 591 ? -6.836 20.464 -13.531 1.00 36.03 ? 591 VAL B CG2 1 ATOM 9774 N N . LEU B 1 592 ? -8.843 19.304 -9.380 1.00 33.43 ? 592 LEU B N 1 ATOM 9775 C CA . LEU B 1 592 ? -8.818 18.770 -8.019 1.00 32.55 ? 592 LEU B CA 1 ATOM 9776 C C . LEU B 1 592 ? -7.900 17.555 -7.983 1.00 31.84 ? 592 LEU B C 1 ATOM 9777 O O . LEU B 1 592 ? -8.051 16.618 -8.779 1.00 30.57 ? 592 LEU B O 1 ATOM 9778 C CB . LEU B 1 592 ? -10.220 18.381 -7.535 1.00 33.28 ? 592 LEU B CB 1 ATOM 9779 C CG . LEU B 1 592 ? -11.320 19.444 -7.514 1.00 34.63 ? 592 LEU B CG 1 ATOM 9780 C CD1 . LEU B 1 592 ? -12.610 18.841 -6.982 1.00 34.42 ? 592 LEU B CD1 1 ATOM 9781 C CD2 . LEU B 1 592 ? -10.912 20.660 -6.690 1.00 34.69 ? 592 LEU B CD2 1 ATOM 9782 N N . GLY B 1 593 ? -6.934 17.579 -7.074 1.00 29.22 ? 593 GLY B N 1 ATOM 9783 C CA . GLY B 1 593 ? -5.973 16.504 -6.998 1.00 27.09 ? 593 GLY B CA 1 ATOM 9784 C C . GLY B 1 593 ? -4.643 16.928 -7.571 1.00 26.03 ? 593 GLY B C 1 ATOM 9785 O O . GLY B 1 593 ? -4.409 18.109 -7.860 1.00 25.88 ? 593 GLY B O 1 ATOM 9786 N N . TRP B 1 594 ? -3.757 15.954 -7.717 1.00 24.36 ? 594 TRP B N 1 ATOM 9787 C CA . TRP B 1 594 ? -2.401 16.216 -8.152 1.00 23.71 ? 594 TRP B CA 1 ATOM 9788 C C . TRP B 1 594 ? -1.980 15.150 -9.174 1.00 23.46 ? 594 TRP B C 1 ATOM 9789 O O . TRP B 1 594 ? -1.116 14.311 -8.881 1.00 23.72 ? 594 TRP B O 1 ATOM 9790 C CB . TRP B 1 594 ? -1.459 16.289 -6.941 1.00 23.15 ? 594 TRP B CB 1 ATOM 9791 C CG . TRP B 1 594 ? -1.811 15.312 -5.842 1.00 22.57 ? 594 TRP B CG 1 ATOM 9792 C CD1 . TRP B 1 594 ? -1.286 14.073 -5.661 1.00 22.17 ? 594 TRP B CD1 1 ATOM 9793 C CD2 . TRP B 1 594 ? -2.783 15.496 -4.794 1.00 22.59 ? 594 TRP B CD2 1 ATOM 9794 N NE1 . TRP B 1 594 ? -1.866 13.460 -4.573 1.00 22.35 ? 594 TRP B NE1 1 ATOM 9795 C CE2 . TRP B 1 594 ? -2.787 14.311 -4.018 1.00 22.28 ? 594 TRP B CE2 1 ATOM 9796 C CE3 . TRP B 1 594 ? -3.645 16.546 -4.434 1.00 22.61 ? 594 TRP B CE3 1 ATOM 9797 C CZ2 . TRP B 1 594 ? -3.622 14.139 -2.904 1.00 21.78 ? 594 TRP B CZ2 1 ATOM 9798 C CZ3 . TRP B 1 594 ? -4.475 16.377 -3.319 1.00 22.33 ? 594 TRP B CZ3 1 ATOM 9799 C CH2 . TRP B 1 594 ? -4.448 15.181 -2.566 1.00 22.32 ? 594 TRP B CH2 1 ATOM 9800 N N . PRO B 1 595 ? -2.611 15.166 -10.372 1.00 23.62 ? 595 PRO B N 1 ATOM 9801 C CA . PRO B 1 595 ? -2.346 14.124 -11.379 1.00 24.40 ? 595 PRO B CA 1 ATOM 9802 C C . PRO B 1 595 ? -0.892 14.097 -11.877 1.00 25.28 ? 595 PRO B C 1 ATOM 9803 O O . PRO B 1 595 ? -0.427 13.056 -12.334 1.00 25.32 ? 595 PRO B O 1 ATOM 9804 C CB . PRO B 1 595 ? -3.327 14.454 -12.518 1.00 24.27 ? 595 PRO B CB 1 ATOM 9805 C CG . PRO B 1 595 ? -3.682 15.897 -12.324 1.00 24.32 ? 595 PRO B CG 1 ATOM 9806 C CD . PRO B 1 595 ? -3.658 16.105 -10.828 1.00 23.78 ? 595 PRO B CD 1 ATOM 9807 N N . GLU B 1 596 ? -0.183 15.223 -11.772 1.00 26.18 ? 596 GLU B N 1 ATOM 9808 C CA . GLU B 1 596 ? 1.266 15.232 -11.995 1.00 26.87 ? 596 GLU B CA 1 ATOM 9809 C C . GLU B 1 596 ? 2.006 14.833 -10.704 1.00 26.25 ? 596 GLU B C 1 ATOM 9810 O O . GLU B 1 596 ? 2.748 15.626 -10.110 1.00 25.65 ? 596 GLU B O 1 ATOM 9811 C CB . GLU B 1 596 ? 1.738 16.577 -12.576 1.00 27.52 ? 596 GLU B CB 1 ATOM 9812 C CG . GLU B 1 596 ? 1.259 16.773 -14.005 1.00 29.79 ? 596 GLU B CG 1 ATOM 9813 C CD . GLU B 1 596 ? 1.679 18.091 -14.632 1.00 30.77 ? 596 GLU B CD 1 ATOM 9814 O OE1 . GLU B 1 596 ? 2.805 18.577 -14.369 1.00 30.11 ? 596 GLU B OE1 1 ATOM 9815 O OE2 . GLU B 1 596 ? 0.871 18.633 -15.412 1.00 32.62 ? 596 GLU B OE2 1 ATOM 9816 N N . TYR B 1 597 ? 1.789 13.577 -10.306 1.00 25.33 ? 597 TYR B N 1 ATOM 9817 C CA . TYR B 1 597 ? 2.236 13.027 -9.034 1.00 25.24 ? 597 TYR B CA 1 ATOM 9818 C C . TYR B 1 597 ? 3.765 12.961 -8.884 1.00 26.43 ? 597 TYR B C 1 ATOM 9819 O O . TYR B 1 597 ? 4.264 12.875 -7.760 1.00 26.19 ? 597 TYR B O 1 ATOM 9820 C CB . TYR B 1 597 ? 1.595 11.640 -8.790 1.00 23.74 ? 597 TYR B CB 1 ATOM 9821 C CG . TYR B 1 597 ? 1.928 10.642 -9.878 1.00 23.15 ? 597 TYR B CG 1 ATOM 9822 C CD1 . TYR B 1 597 ? 3.140 9.957 -9.865 1.00 22.92 ? 597 TYR B CD1 1 ATOM 9823 C CD2 . TYR B 1 597 ? 1.042 10.399 -10.930 1.00 22.71 ? 597 TYR B CD2 1 ATOM 9824 C CE1 . TYR B 1 597 ? 3.476 9.072 -10.871 1.00 22.36 ? 597 TYR B CE1 1 ATOM 9825 C CE2 . TYR B 1 597 ? 1.366 9.505 -11.944 1.00 23.14 ? 597 TYR B CE2 1 ATOM 9826 C CZ . TYR B 1 597 ? 2.581 8.844 -11.909 1.00 22.97 ? 597 TYR B CZ 1 ATOM 9827 O OH . TYR B 1 597 ? 2.922 7.960 -12.918 1.00 23.00 ? 597 TYR B OH 1 ATOM 9828 N N . GLN B 1 598 ? 4.486 12.993 -10.012 1.00 27.78 ? 598 GLN B N 1 ATOM 9829 C CA . GLN B 1 598 ? 5.957 12.952 -10.042 1.00 28.71 ? 598 GLN B CA 1 ATOM 9830 C C . GLN B 1 598 ? 6.616 14.311 -9.840 1.00 29.05 ? 598 GLN B C 1 ATOM 9831 O O . GLN B 1 598 ? 7.817 14.392 -9.553 1.00 29.55 ? 598 GLN B O 1 ATOM 9832 C CB . GLN B 1 598 ? 6.441 12.431 -11.402 1.00 30.87 ? 598 GLN B CB 1 ATOM 9833 C CG . GLN B 1 598 ? 6.773 10.960 -11.474 1.00 31.50 ? 598 GLN B CG 1 ATOM 9834 C CD . GLN B 1 598 ? 7.567 10.621 -12.727 1.00 32.94 ? 598 GLN B CD 1 ATOM 9835 O OE1 . GLN B 1 598 ? 8.680 11.112 -12.928 1.00 34.40 ? 598 GLN B OE1 1 ATOM 9836 N NE2 . GLN B 1 598 ? 7.000 9.784 -13.573 1.00 32.35 ? 598 GLN B NE2 1 ATOM 9837 N N . TRP B 1 599 ? 5.850 15.382 -10.020 1.00 28.41 ? 599 TRP B N 1 ATOM 9838 C CA . TRP B 1 599 ? 6.420 16.713 -9.967 1.00 28.30 ? 599 TRP B CA 1 ATOM 9839 C C . TRP B 1 599 ? 7.072 17.070 -8.621 1.00 28.12 ? 599 TRP B C 1 ATOM 9840 O O . TRP B 1 599 ? 6.515 16.816 -7.542 1.00 27.09 ? 599 TRP B O 1 ATOM 9841 C CB . TRP B 1 599 ? 5.385 17.761 -10.362 1.00 27.78 ? 599 TRP B CB 1 ATOM 9842 C CG . TRP B 1 599 ? 5.942 19.135 -10.393 1.00 28.39 ? 599 TRP B CG 1 ATOM 9843 C CD1 . TRP B 1 599 ? 6.556 19.741 -11.444 1.00 28.45 ? 599 TRP B CD1 1 ATOM 9844 C CD2 . TRP B 1 599 ? 5.944 20.082 -9.318 1.00 27.96 ? 599 TRP B CD2 1 ATOM 9845 N NE1 . TRP B 1 599 ? 6.939 21.013 -11.098 1.00 29.05 ? 599 TRP B NE1 1 ATOM 9846 C CE2 . TRP B 1 599 ? 6.574 21.250 -9.797 1.00 29.19 ? 599 TRP B CE2 1 ATOM 9847 C CE3 . TRP B 1 599 ? 5.471 20.058 -7.996 1.00 28.07 ? 599 TRP B CE3 1 ATOM 9848 C CZ2 . TRP B 1 599 ? 6.750 22.394 -8.996 1.00 29.06 ? 599 TRP B CZ2 1 ATOM 9849 C CZ3 . TRP B 1 599 ? 5.645 21.197 -7.199 1.00 28.24 ? 599 TRP B CZ3 1 ATOM 9850 C CH2 . TRP B 1 599 ? 6.275 22.345 -7.705 1.00 28.43 ? 599 TRP B CH2 1 ATOM 9851 N N . HIS B 1 600 ? 8.266 17.650 -8.719 1.00 28.12 ? 600 HIS B N 1 ATOM 9852 C CA . HIS B 1 600 ? 8.980 18.250 -7.597 1.00 28.62 ? 600 HIS B CA 1 ATOM 9853 C C . HIS B 1 600 ? 9.473 19.636 -8.005 1.00 29.38 ? 600 HIS B C 1 ATOM 9854 O O . HIS B 1 600 ? 9.834 19.836 -9.160 1.00 29.57 ? 600 HIS B O 1 ATOM 9855 C CB . HIS B 1 600 ? 10.182 17.396 -7.208 1.00 28.76 ? 600 HIS B CB 1 ATOM 9856 C CG . HIS B 1 600 ? 9.815 16.130 -6.505 1.00 29.55 ? 600 HIS B CG 1 ATOM 9857 N ND1 . HIS B 1 600 ? 9.312 15.031 -7.170 1.00 29.54 ? 600 HIS B ND1 1 ATOM 9858 C CD2 . HIS B 1 600 ? 9.881 15.784 -5.196 1.00 28.66 ? 600 HIS B CD2 1 ATOM 9859 C CE1 . HIS B 1 600 ? 9.080 14.062 -6.300 1.00 29.16 ? 600 HIS B CE1 1 ATOM 9860 N NE2 . HIS B 1 600 ? 9.419 14.493 -5.096 1.00 28.90 ? 600 HIS B NE2 1 ATOM 9861 N N . PRO B 1 601 ? 9.505 20.593 -7.060 1.00 29.22 ? 601 PRO B N 1 ATOM 9862 C CA . PRO B 1 601 ? 10.034 21.916 -7.397 1.00 29.95 ? 601 PRO B CA 1 ATOM 9863 C C . PRO B 1 601 ? 11.562 21.881 -7.515 1.00 30.94 ? 601 PRO B C 1 ATOM 9864 O O . PRO B 1 601 ? 12.202 21.045 -6.878 1.00 31.35 ? 601 PRO B O 1 ATOM 9865 C CB . PRO B 1 601 ? 9.615 22.770 -6.198 1.00 29.91 ? 601 PRO B CB 1 ATOM 9866 C CG . PRO B 1 601 ? 9.532 21.810 -5.054 1.00 29.30 ? 601 PRO B CG 1 ATOM 9867 C CD . PRO B 1 601 ? 9.113 20.489 -5.639 1.00 28.50 ? 601 PRO B CD 1 ATOM 9868 N N . PRO B 1 602 ? 12.151 22.775 -8.329 1.00 32.39 ? 602 PRO B N 1 ATOM 9869 C CA . PRO B 1 602 ? 13.609 22.807 -8.382 1.00 33.47 ? 602 PRO B CA 1 ATOM 9870 C C . PRO B 1 602 ? 14.158 23.585 -7.185 1.00 34.48 ? 602 PRO B C 1 ATOM 9871 O O . PRO B 1 602 ? 13.393 24.253 -6.475 1.00 35.30 ? 602 PRO B O 1 ATOM 9872 C CB . PRO B 1 602 ? 13.880 23.570 -9.683 1.00 33.68 ? 602 PRO B CB 1 ATOM 9873 C CG . PRO B 1 602 ? 12.749 24.548 -9.748 1.00 33.62 ? 602 PRO B CG 1 ATOM 9874 C CD . PRO B 1 602 ? 11.551 23.819 -9.184 1.00 33.05 ? 602 PRO B CD 1 ATOM 9875 N N . LEU B 1 603 ? 15.462 23.481 -6.953 1.00 35.66 ? 603 LEU B N 1 ATOM 9876 C CA . LEU B 1 603 ? 16.136 24.270 -5.930 1.00 36.99 ? 603 LEU B CA 1 ATOM 9877 C C . LEU B 1 603 ? 16.144 25.751 -6.308 1.00 38.99 ? 603 LEU B C 1 ATOM 9878 O O . LEU B 1 603 ? 16.305 26.085 -7.490 1.00 40.25 ? 603 LEU B O 1 ATOM 9879 C CB . LEU B 1 603 ? 17.573 23.775 -5.746 1.00 38.04 ? 603 LEU B CB 1 ATOM 9880 C CG . LEU B 1 603 ? 17.762 22.466 -4.973 1.00 38.28 ? 603 LEU B CG 1 ATOM 9881 C CD1 . LEU B 1 603 ? 19.200 21.992 -5.082 1.00 39.67 ? 603 LEU B CD1 1 ATOM 9882 C CD2 . LEU B 1 603 ? 17.373 22.641 -3.512 1.00 37.32 ? 603 LEU B CD2 1 ATOM 9883 N N . PRO B 1 604 ? 15.982 26.648 -5.316 1.00 39.72 ? 604 PRO B N 1 ATOM 9884 C CA . PRO B 1 604 ? 16.092 28.076 -5.607 1.00 42.00 ? 604 PRO B CA 1 ATOM 9885 C C . PRO B 1 604 ? 17.490 28.429 -6.104 1.00 45.85 ? 604 PRO B C 1 ATOM 9886 O O . PRO B 1 604 ? 18.425 27.644 -5.921 1.00 44.99 ? 604 PRO B O 1 ATOM 9887 C CB . PRO B 1 604 ? 15.830 28.745 -4.253 1.00 41.11 ? 604 PRO B CB 1 ATOM 9888 C CG . PRO B 1 604 ? 15.222 27.695 -3.392 1.00 38.59 ? 604 PRO B CG 1 ATOM 9889 C CD . PRO B 1 604 ? 15.787 26.399 -3.878 1.00 38.79 ? 604 PRO B CD 1 ATOM 9890 N N . ASP B 1 605 ? 17.619 29.611 -6.707 1.00 51.79 ? 605 ASP B N 1 ATOM 9891 C CA . ASP B 1 605 ? 18.820 30.014 -7.448 1.00 58.43 ? 605 ASP B CA 1 ATOM 9892 C C . ASP B 1 605 ? 20.171 29.528 -6.884 1.00 59.85 ? 605 ASP B C 1 ATOM 9893 O O . ASP B 1 605 ? 20.768 28.600 -7.431 1.00 61.72 ? 605 ASP B O 1 ATOM 9894 C CB . ASP B 1 605 ? 18.815 31.530 -7.703 1.00 62.42 ? 605 ASP B CB 1 ATOM 9895 C CG . ASP B 1 605 ? 18.056 31.911 -8.976 1.00 66.10 ? 605 ASP B CG 1 ATOM 9896 O OD1 . ASP B 1 605 ? 17.835 31.030 -9.841 1.00 67.26 ? 605 ASP B OD1 1 ATOM 9897 O OD2 . ASP B 1 605 ? 17.694 33.102 -9.119 1.00 67.78 ? 605 ASP B OD2 1 ATOM 9898 N N . ASN B 1 606 ? 20.645 30.145 -5.804 1.00 60.43 ? 606 ASN B N 1 ATOM 9899 C CA . ASN B 1 606 ? 21.962 29.811 -5.252 1.00 61.49 ? 606 ASN B CA 1 ATOM 9900 C C . ASN B 1 606 ? 21.883 29.188 -3.859 1.00 60.32 ? 606 ASN B C 1 ATOM 9901 O O . ASN B 1 606 ? 22.571 29.614 -2.930 1.00 60.99 ? 606 ASN B O 1 ATOM 9902 C CB . ASN B 1 606 ? 22.877 31.047 -5.250 1.00 63.57 ? 606 ASN B CB 1 ATOM 9903 C CG . ASN B 1 606 ? 23.541 31.298 -6.600 1.00 65.41 ? 606 ASN B CG 1 ATOM 9904 O OD1 . ASN B 1 606 ? 23.751 30.376 -7.397 1.00 64.29 ? 606 ASN B OD1 1 ATOM 9905 N ND2 . ASN B 1 606 ? 23.893 32.555 -6.854 1.00 66.62 ? 606 ASN B ND2 1 ATOM 9906 N N . TYR B 1 607 ? 21.045 28.166 -3.732 1.00 57.74 ? 607 TYR B N 1 ATOM 9907 C CA . TYR B 1 607 ? 20.784 27.512 -2.454 1.00 55.11 ? 607 TYR B CA 1 ATOM 9908 C C . TYR B 1 607 ? 21.959 26.620 -2.032 1.00 55.46 ? 607 TYR B C 1 ATOM 9909 O O . TYR B 1 607 ? 22.450 25.834 -2.845 1.00 56.38 ? 607 TYR B O 1 ATOM 9910 C CB . TYR B 1 607 ? 19.490 26.699 -2.571 1.00 52.68 ? 607 TYR B CB 1 ATOM 9911 C CG . TYR B 1 607 ? 19.017 26.080 -1.282 1.00 50.26 ? 607 TYR B CG 1 ATOM 9912 C CD1 . TYR B 1 607 ? 18.378 26.851 -0.302 1.00 49.47 ? 607 TYR B CD1 1 ATOM 9913 C CD2 . TYR B 1 607 ? 19.196 24.717 -1.045 1.00 49.31 ? 607 TYR B CD2 1 ATOM 9914 C CE1 . TYR B 1 607 ? 17.944 26.278 0.886 1.00 47.87 ? 607 TYR B CE1 1 ATOM 9915 C CE2 . TYR B 1 607 ? 18.762 24.135 0.132 1.00 47.31 ? 607 TYR B CE2 1 ATOM 9916 C CZ . TYR B 1 607 ? 18.141 24.917 1.095 1.00 46.86 ? 607 TYR B CZ 1 ATOM 9917 O OH . TYR B 1 607 ? 17.715 24.327 2.260 1.00 44.39 ? 607 TYR B OH 1 ATOM 9918 N N . PRO B 1 608 ? 22.398 26.708 -0.754 1.00 55.69 ? 608 PRO B N 1 ATOM 9919 C CA . PRO B 1 608 ? 21.830 27.464 0.367 1.00 56.98 ? 608 PRO B CA 1 ATOM 9920 C C . PRO B 1 608 ? 22.463 28.815 0.728 1.00 59.18 ? 608 PRO B C 1 ATOM 9921 O O . PRO B 1 608 ? 21.920 29.509 1.590 1.00 59.73 ? 608 PRO B O 1 ATOM 9922 C CB . PRO B 1 608 ? 22.015 26.500 1.540 1.00 56.32 ? 608 PRO B CB 1 ATOM 9923 C CG . PRO B 1 608 ? 23.271 25.760 1.210 1.00 56.01 ? 608 PRO B CG 1 ATOM 9924 C CD . PRO B 1 608 ? 23.454 25.789 -0.289 1.00 56.24 ? 608 PRO B CD 1 ATOM 9925 N N . GLU B 1 609 ? 23.584 29.194 0.111 1.00 63.54 ? 609 GLU B N 1 ATOM 9926 C CA . GLU B 1 609 ? 24.212 30.493 0.433 1.00 64.98 ? 609 GLU B CA 1 ATOM 9927 C C . GLU B 1 609 ? 23.298 31.676 0.076 1.00 64.54 ? 609 GLU B C 1 ATOM 9928 O O . GLU B 1 609 ? 22.451 31.570 -0.816 1.00 63.42 ? 609 GLU B O 1 ATOM 9929 C CB . GLU B 1 609 ? 25.617 30.638 -0.184 1.00 67.38 ? 609 GLU B CB 1 ATOM 9930 C CG . GLU B 1 609 ? 25.672 30.886 -1.689 1.00 70.05 ? 609 GLU B CG 1 ATOM 9931 C CD . GLU B 1 609 ? 25.728 29.611 -2.519 1.00 71.43 ? 609 GLU B CD 1 ATOM 9932 O OE1 . GLU B 1 609 ? 25.953 28.520 -1.953 1.00 72.03 ? 609 GLU B OE1 1 ATOM 9933 O OE2 . GLU B 1 609 ? 25.553 29.702 -3.754 1.00 72.79 ? 609 GLU B OE2 1 ATOM 9934 N N . GLY B 1 610 ? 23.453 32.784 0.797 1.00 64.39 ? 610 GLY B N 1 ATOM 9935 C CA . GLY B 1 610 ? 22.578 33.944 0.629 1.00 65.46 ? 610 GLY B CA 1 ATOM 9936 C C . GLY B 1 610 ? 21.136 33.660 1.020 1.00 65.33 ? 610 GLY B C 1 ATOM 9937 O O . GLY B 1 610 ? 20.825 33.462 2.198 1.00 64.57 ? 610 GLY B O 1 HETATM 9938 ZN ZN . ZN C 2 . ? 0.241 -19.418 -21.058 1.00 18.05 ? 1001 ZN A ZN 1 HETATM 9939 CL CL . CL D 3 . ? -5.061 -16.846 -12.320 1.00 19.32 ? 1002 CL A CL 1 HETATM 9940 C C1 . FUC E 4 . ? 4.501 15.809 -21.257 1.00 62.11 ? 1611 FUC A C1 1 HETATM 9941 C C2 . FUC E 4 . ? 5.338 15.855 -19.968 1.00 64.58 ? 1611 FUC A C2 1 HETATM 9942 C C3 . FUC E 4 . ? 6.785 15.394 -20.142 1.00 68.64 ? 1611 FUC A C3 1 HETATM 9943 C C4 . FUC E 4 . ? 7.390 15.851 -21.472 1.00 72.09 ? 1611 FUC A C4 1 HETATM 9944 C C5 . FUC E 4 . ? 6.459 15.476 -22.631 1.00 70.76 ? 1611 FUC A C5 1 HETATM 9945 C C6 . FUC E 4 . ? 7.056 15.829 -23.995 1.00 70.62 ? 1611 FUC A C6 1 HETATM 9946 O O2 . FUC E 4 . ? 4.732 15.027 -19.001 1.00 64.62 ? 1611 FUC A O2 1 HETATM 9947 O O3 . FUC E 4 . ? 7.553 15.884 -19.064 1.00 70.22 ? 1611 FUC A O3 1 HETATM 9948 O O4 . FUC E 4 . ? 7.603 17.249 -21.446 1.00 73.40 ? 1611 FUC A O4 1 HETATM 9949 O O5 . FUC E 4 . ? 5.206 16.124 -22.459 1.00 67.25 ? 1611 FUC A O5 1 HETATM 9950 C C1 . NAG F 5 . ? 0.747 14.764 -18.634 1.00 38.28 ? 1612 NAG A C1 1 HETATM 9951 C C2 . NAG F 5 . ? -0.084 16.054 -18.634 1.00 42.56 ? 1612 NAG A C2 1 HETATM 9952 C C3 . NAG F 5 . ? -0.273 16.701 -20.016 1.00 43.06 ? 1612 NAG A C3 1 HETATM 9953 C C4 . NAG F 5 . ? 0.959 16.560 -20.901 1.00 44.90 ? 1612 NAG A C4 1 HETATM 9954 C C5 . NAG F 5 . ? 1.415 15.101 -20.880 1.00 45.38 ? 1612 NAG A C5 1 HETATM 9955 C C6 . NAG F 5 . ? 2.512 14.825 -21.912 1.00 48.55 ? 1612 NAG A C6 1 HETATM 9956 C C7 . NAG F 5 . ? -1.831 16.458 -17.034 1.00 44.50 ? 1612 NAG A C7 1 HETATM 9957 C C8 . NAG F 5 . ? -3.170 16.104 -16.466 1.00 45.42 ? 1612 NAG A C8 1 HETATM 9958 N N2 . NAG F 5 . ? -1.385 15.750 -18.058 1.00 42.62 ? 1612 NAG A N2 1 HETATM 9959 O O3 . NAG F 5 . ? -0.571 18.070 -19.856 1.00 40.47 ? 1612 NAG A O3 1 HETATM 9960 O O4 . NAG F 5 . ? 0.676 17.016 -22.210 1.00 46.51 ? 1612 NAG A O4 1 HETATM 9961 O O5 . NAG F 5 . ? 1.824 14.785 -19.555 1.00 41.25 ? 1612 NAG A O5 1 HETATM 9962 O O6 . NAG F 5 . ? 3.772 14.567 -21.325 1.00 54.58 ? 1612 NAG A O6 1 HETATM 9963 O O7 . NAG F 5 . ? -1.180 17.377 -16.554 1.00 48.51 ? 1612 NAG A O7 1 HETATM 9964 C C1 . NAG G 5 . ? -11.831 -11.250 -42.494 1.00 43.44 ? 1614 NAG A C1 1 HETATM 9965 C C2 . NAG G 5 . ? -11.780 -12.316 -43.587 1.00 44.90 ? 1614 NAG A C2 1 HETATM 9966 C C3 . NAG G 5 . ? -12.787 -12.036 -44.712 1.00 46.48 ? 1614 NAG A C3 1 HETATM 9967 C C4 . NAG G 5 . ? -14.175 -11.605 -44.214 1.00 47.52 ? 1614 NAG A C4 1 HETATM 9968 C C5 . NAG G 5 . ? -14.066 -10.610 -43.052 1.00 46.07 ? 1614 NAG A C5 1 HETATM 9969 C C6 . NAG G 5 . ? -15.406 -10.345 -42.368 1.00 45.15 ? 1614 NAG A C6 1 HETATM 9970 C C7 . NAG G 5 . ? -9.738 -13.566 -44.040 1.00 44.10 ? 1614 NAG A C7 1 HETATM 9971 C C8 . NAG G 5 . ? -8.376 -13.563 -44.674 1.00 43.99 ? 1614 NAG A C8 1 HETATM 9972 N N2 . NAG G 5 . ? -10.444 -12.438 -44.146 1.00 44.14 ? 1614 NAG A N2 1 HETATM 9973 O O3 . NAG G 5 . ? -12.920 -13.201 -45.497 1.00 46.30 ? 1614 NAG A O3 1 HETATM 9974 O O4 . NAG G 5 . ? -14.872 -11.002 -45.288 1.00 51.62 ? 1614 NAG A O4 1 HETATM 9975 O O5 . NAG G 5 . ? -13.176 -11.108 -42.074 1.00 44.31 ? 1614 NAG A O5 1 HETATM 9976 O O6 . NAG G 5 . ? -15.268 -9.244 -41.494 1.00 43.94 ? 1614 NAG A O6 1 HETATM 9977 O O7 . NAG G 5 . ? -10.150 -14.573 -43.459 1.00 42.76 ? 1614 NAG A O7 1 HETATM 9978 C C1 . NAG H 5 . ? -15.977 -11.817 -45.737 1.00 55.22 ? 1615 NAG A C1 1 HETATM 9979 C C2 . NAG H 5 . ? -16.981 -10.890 -46.424 1.00 56.43 ? 1615 NAG A C2 1 HETATM 9980 C C3 . NAG H 5 . ? -18.099 -11.665 -47.126 1.00 59.18 ? 1615 NAG A C3 1 HETATM 9981 C C4 . NAG H 5 . ? -17.528 -12.752 -48.034 1.00 61.07 ? 1615 NAG A C4 1 HETATM 9982 C C5 . NAG H 5 . ? -16.543 -13.631 -47.254 1.00 62.13 ? 1615 NAG A C5 1 HETATM 9983 C C6 . NAG H 5 . ? -15.896 -14.670 -48.174 1.00 63.18 ? 1615 NAG A C6 1 HETATM 9984 C C7 . NAG H 5 . ? -17.251 -8.621 -45.555 1.00 52.71 ? 1615 NAG A C7 1 HETATM 9985 C C8 . NAG H 5 . ? -17.917 -7.730 -44.546 1.00 50.88 ? 1615 NAG A C8 1 HETATM 9986 N N2 . NAG H 5 . ? -17.549 -9.924 -45.499 1.00 53.25 ? 1615 NAG A N2 1 HETATM 9987 O O3 . NAG H 5 . ? -18.884 -10.768 -47.878 1.00 59.27 ? 1615 NAG A O3 1 HETATM 9988 O O4 . NAG H 5 . ? -18.581 -13.542 -48.549 1.00 64.98 ? 1615 NAG A O4 1 HETATM 9989 O O5 . NAG H 5 . ? -15.539 -12.844 -46.615 1.00 58.69 ? 1615 NAG A O5 1 HETATM 9990 O O6 . NAG H 5 . ? -14.537 -14.361 -48.405 1.00 65.09 ? 1615 NAG A O6 1 HETATM 9991 O O7 . NAG H 5 . ? -16.467 -8.135 -46.374 1.00 51.49 ? 1615 NAG A O7 1 HETATM 9992 C C1 . NAG I 5 . ? 28.869 -32.062 -15.323 1.00 44.12 ? 1616 NAG A C1 1 HETATM 9993 C C2 . NAG I 5 . ? 27.882 -33.258 -15.443 1.00 43.20 ? 1616 NAG A C2 1 HETATM 9994 C C3 . NAG I 5 . ? 27.242 -33.688 -14.121 1.00 42.85 ? 1616 NAG A C3 1 HETATM 9995 C C4 . NAG I 5 . ? 28.264 -33.889 -13.018 1.00 42.72 ? 1616 NAG A C4 1 HETATM 9996 C C5 . NAG I 5 . ? 29.142 -32.628 -12.996 1.00 41.94 ? 1616 NAG A C5 1 HETATM 9997 C C6 . NAG I 5 . ? 30.189 -32.731 -11.882 1.00 43.90 ? 1616 NAG A C6 1 HETATM 9998 C C7 . NAG I 5 . ? 26.757 -33.399 -17.625 1.00 46.92 ? 1616 NAG A C7 1 HETATM 9999 C C8 . NAG I 5 . ? 25.538 -32.993 -18.406 1.00 46.21 ? 1616 NAG A C8 1 HETATM 10000 N N2 . NAG I 5 . ? 26.798 -32.974 -16.363 1.00 44.83 ? 1616 NAG A N2 1 HETATM 10001 O O3 . NAG I 5 . ? 26.512 -34.876 -14.293 1.00 42.43 ? 1616 NAG A O3 1 HETATM 10002 O O4 . NAG I 5 . ? 27.565 -34.047 -11.788 1.00 44.63 ? 1616 NAG A O4 1 HETATM 10003 O O5 . NAG I 5 . ? 29.723 -32.325 -14.280 1.00 42.50 ? 1616 NAG A O5 1 HETATM 10004 O O6 . NAG I 5 . ? 30.685 -34.059 -11.818 1.00 44.74 ? 1616 NAG A O6 1 HETATM 10005 O O7 . NAG I 5 . ? 27.649 -34.070 -18.152 1.00 47.42 ? 1616 NAG A O7 1 HETATM 10006 C C1 . NAG J 5 . ? 27.595 -35.382 -11.216 1.00 47.53 ? 1617 NAG A C1 1 HETATM 10007 C C2 . NAG J 5 . ? 27.055 -35.372 -9.782 1.00 49.54 ? 1617 NAG A C2 1 HETATM 10008 C C3 . NAG J 5 . ? 27.062 -36.775 -9.159 1.00 51.73 ? 1617 NAG A C3 1 HETATM 10009 C C4 . NAG J 5 . ? 26.473 -37.846 -10.089 1.00 52.85 ? 1617 NAG A C4 1 HETATM 10010 C C5 . NAG J 5 . ? 27.047 -37.676 -11.500 1.00 51.73 ? 1617 NAG A C5 1 HETATM 10011 C C6 . NAG J 5 . ? 26.470 -38.654 -12.525 1.00 51.46 ? 1617 NAG A C6 1 HETATM 10012 C C7 . NAG J 5 . ? 27.276 -33.415 -8.311 1.00 50.97 ? 1617 NAG A C7 1 HETATM 10013 C C8 . NAG J 5 . ? 28.211 -32.589 -7.479 1.00 51.41 ? 1617 NAG A C8 1 HETATM 10014 N N2 . NAG J 5 . ? 27.812 -34.465 -8.936 1.00 50.75 ? 1617 NAG A N2 1 HETATM 10015 O O3 . NAG J 5 . ? 26.368 -36.756 -7.925 1.00 50.82 ? 1617 NAG A O3 1 HETATM 10016 O O4 . NAG J 5 . ? 26.787 -39.141 -9.614 1.00 56.35 ? 1617 NAG A O4 1 HETATM 10017 O O5 . NAG J 5 . ? 26.846 -36.343 -11.938 1.00 49.58 ? 1617 NAG A O5 1 HETATM 10018 O O6 . NAG J 5 . ? 25.058 -38.587 -12.548 1.00 54.82 ? 1617 NAG A O6 1 HETATM 10019 O O7 . NAG J 5 . ? 26.092 -33.100 -8.385 1.00 50.97 ? 1617 NAG A O7 1 HETATM 10020 C C1 . BMA K 6 . ? 25.692 -39.733 -8.877 1.00 59.64 ? 1618 BMA A C1 1 HETATM 10021 C C2 . BMA K 6 . ? 25.758 -41.265 -8.962 1.00 59.77 ? 1618 BMA A C2 1 HETATM 10022 C C3 . BMA K 6 . ? 24.740 -41.949 -8.042 1.00 60.96 ? 1618 BMA A C3 1 HETATM 10023 C C4 . BMA K 6 . ? 24.606 -41.291 -6.668 1.00 60.68 ? 1618 BMA A C4 1 HETATM 10024 C C5 . BMA K 6 . ? 24.569 -39.762 -6.740 1.00 60.79 ? 1618 BMA A C5 1 HETATM 10025 C C6 . BMA K 6 . ? 24.656 -39.135 -5.351 1.00 60.35 ? 1618 BMA A C6 1 HETATM 10026 O O2 . BMA K 6 . ? 27.078 -41.736 -8.648 1.00 59.89 ? 1618 BMA A O2 1 HETATM 10027 O O3 . BMA K 6 . ? 25.104 -43.321 -7.848 1.00 60.24 ? 1618 BMA A O3 1 HETATM 10028 O O4 . BMA K 6 . ? 23.395 -41.769 -6.077 1.00 59.54 ? 1618 BMA A O4 1 HETATM 10029 O O5 . BMA K 6 . ? 25.670 -39.283 -7.516 1.00 60.40 ? 1618 BMA A O5 1 HETATM 10030 O O6 . BMA K 6 . ? 23.731 -38.047 -5.278 1.00 57.59 ? 1618 BMA A O6 1 HETATM 10031 C C1 . FUC L 4 . ? 31.502 -34.346 -10.657 1.00 47.11 ? 1619 FUC A C1 1 HETATM 10032 C C2 . FUC L 4 . ? 32.031 -35.769 -10.819 1.00 47.90 ? 1619 FUC A C2 1 HETATM 10033 C C3 . FUC L 4 . ? 33.040 -35.799 -11.978 1.00 48.11 ? 1619 FUC A C3 1 HETATM 10034 C C4 . FUC L 4 . ? 34.167 -34.794 -11.739 1.00 47.61 ? 1619 FUC A C4 1 HETATM 10035 C C5 . FUC L 4 . ? 33.561 -33.411 -11.471 1.00 46.68 ? 1619 FUC A C5 1 HETATM 10036 C C6 . FUC L 4 . ? 34.591 -32.341 -11.132 1.00 46.34 ? 1619 FUC A C6 1 HETATM 10037 O O2 . FUC L 4 . ? 30.947 -36.645 -11.055 1.00 49.41 ? 1619 FUC A O2 1 HETATM 10038 O O3 . FUC L 4 . ? 33.577 -37.091 -12.154 1.00 50.01 ? 1619 FUC A O3 1 HETATM 10039 O O4 . FUC L 4 . ? 34.945 -35.233 -10.644 1.00 47.45 ? 1619 FUC A O4 1 HETATM 10040 O O5 . FUC L 4 . ? 32.605 -33.477 -10.420 1.00 46.81 ? 1619 FUC A O5 1 HETATM 10041 C C1 . PEG M 7 . ? -8.806 -17.235 -26.194 1.00 41.39 ? 1622 PEG A C1 1 HETATM 10042 O O1 . PEG M 7 . ? -8.816 -15.819 -26.348 1.00 41.10 ? 1622 PEG A O1 1 HETATM 10043 C C2 . PEG M 7 . ? -7.504 -17.617 -25.513 1.00 41.51 ? 1622 PEG A C2 1 HETATM 10044 O O2 . PEG M 7 . ? -7.779 -18.741 -24.694 1.00 42.07 ? 1622 PEG A O2 1 HETATM 10045 C C3 . PEG M 7 . ? -7.236 -18.611 -23.386 1.00 43.63 ? 1622 PEG A C3 1 HETATM 10046 C C4 . PEG M 7 . ? -8.098 -19.413 -22.419 1.00 43.77 ? 1622 PEG A C4 1 HETATM 10047 O O4 . PEG M 7 . ? -8.596 -18.532 -21.410 1.00 43.99 ? 1622 PEG A O4 1 HETATM 10048 C C1 . PEG N 7 . ? -18.539 -15.475 -0.590 1.00 45.33 ? 1624 PEG A C1 1 HETATM 10049 O O1 . PEG N 7 . ? -17.606 -15.961 0.382 1.00 45.41 ? 1624 PEG A O1 1 HETATM 10050 C C2 . PEG N 7 . ? -17.975 -15.699 -1.991 1.00 44.82 ? 1624 PEG A C2 1 HETATM 10051 O O2 . PEG N 7 . ? -18.946 -16.395 -2.777 1.00 45.63 ? 1624 PEG A O2 1 HETATM 10052 C C3 . PEG N 7 . ? -18.639 -17.784 -2.861 1.00 45.33 ? 1624 PEG A C3 1 HETATM 10053 C C4 . PEG N 7 . ? -19.643 -18.488 -3.761 1.00 45.45 ? 1624 PEG A C4 1 HETATM 10054 O O4 . PEG N 7 . ? -18.980 -19.596 -4.381 1.00 45.74 ? 1624 PEG A O4 1 HETATM 10055 O O1 . PG4 O 8 . ? -1.637 -1.486 -4.494 1.00 47.17 ? 1625 PG4 A O1 1 HETATM 10056 C C1 . PG4 O 8 . ? -1.586 -0.199 -3.889 1.00 47.71 ? 1625 PG4 A C1 1 HETATM 10057 C C2 . PG4 O 8 . ? -0.128 0.240 -3.816 1.00 47.83 ? 1625 PG4 A C2 1 HETATM 10058 O O2 . PG4 O 8 . ? 0.063 1.146 -2.726 1.00 48.11 ? 1625 PG4 A O2 1 HETATM 10059 C C3 . PG4 O 8 . ? 0.868 0.568 -1.705 1.00 47.98 ? 1625 PG4 A C3 1 HETATM 10060 C C4 . PG4 O 8 . ? 0.552 1.156 -0.342 1.00 47.96 ? 1625 PG4 A C4 1 HETATM 10061 O O3 . PG4 O 8 . ? 1.800 1.431 0.291 1.00 49.48 ? 1625 PG4 A O3 1 HETATM 10062 C C5 . PG4 O 8 . ? 1.635 2.194 1.482 1.00 49.47 ? 1625 PG4 A C5 1 HETATM 10063 C C6 . PG4 O 8 . ? 2.848 1.991 2.381 1.00 48.67 ? 1625 PG4 A C6 1 HETATM 10064 O O4 . PG4 O 8 . ? 2.423 2.026 3.750 1.00 47.78 ? 1625 PG4 A O4 1 HETATM 10065 C C1 . PEG P 7 . ? 29.865 -9.530 -16.993 1.00 35.76 ? 1626 PEG A C1 1 HETATM 10066 O O1 . PEG P 7 . ? 31.082 -8.936 -17.489 1.00 34.17 ? 1626 PEG A O1 1 HETATM 10067 C C2 . PEG P 7 . ? 28.925 -8.467 -16.418 1.00 35.03 ? 1626 PEG A C2 1 HETATM 10068 O O2 . PEG P 7 . ? 29.405 -8.001 -15.149 1.00 36.69 ? 1626 PEG A O2 1 HETATM 10069 C C3 . PEG P 7 . ? 28.716 -6.817 -14.728 1.00 36.96 ? 1626 PEG A C3 1 HETATM 10070 C C4 . PEG P 7 . ? 28.605 -6.751 -13.214 1.00 37.67 ? 1626 PEG A C4 1 HETATM 10071 O O4 . PEG P 7 . ? 29.905 -6.725 -12.603 1.00 38.63 ? 1626 PEG A O4 1 HETATM 10072 O OAB . 3EF Q 9 . ? -3.378 -19.217 -24.047 1.00 22.26 ? 1630 3EF A OAB 1 HETATM 10073 C CAH . 3EF Q 9 . ? -6.045 -22.120 -18.319 1.00 30.09 ? 1630 3EF A CAH 1 HETATM 10074 C CAK . 3EF Q 9 . ? -6.640 -22.563 -19.502 1.00 29.43 ? 1630 3EF A CAK 1 HETATM 10075 C CAL . 3EF Q 9 . ? -4.917 -21.293 -18.348 1.00 30.01 ? 1630 3EF A CAL 1 HETATM 10076 C CAQ . 3EF Q 9 . ? -6.102 -22.172 -20.736 1.00 30.13 ? 1630 3EF A CAQ 1 HETATM 10077 C CAR . 3EF Q 9 . ? -4.377 -20.902 -19.580 1.00 29.19 ? 1630 3EF A CAR 1 HETATM 10078 C CBB . 3EF Q 9 . ? -4.427 -20.943 -22.017 1.00 27.69 ? 1630 3EF A CBB 1 HETATM 10079 O OBJ . 3EF Q 9 . ? -4.331 -19.511 -22.005 1.00 24.56 ? 1630 3EF A OBJ 1 HETATM 10080 C CBM . 3EF Q 9 . ? -3.532 -18.841 -22.876 1.00 23.87 ? 1630 3EF A CBM 1 HETATM 10081 C CBP . 3EF Q 9 . ? -4.967 -21.343 -20.777 1.00 29.68 ? 1630 3EF A CBP 1 HETATM 10082 O OAD . 3EF Q 9 . ? -0.188 -17.358 -21.350 1.00 19.44 ? 1630 3EF A OAD 1 HETATM 10083 P PBY . 3EF Q 9 . ? -0.380 -17.414 -22.821 1.00 20.64 ? 1630 3EF A PBY 1 HETATM 10084 O OAG . 3EF Q 9 . ? -0.213 -18.729 -23.463 1.00 19.73 ? 1630 3EF A OAG 1 HETATM 10085 C CBX . 3EF Q 9 . ? -2.086 -16.860 -23.231 1.00 20.15 ? 1630 3EF A CBX 1 HETATM 10086 N NBI . 3EF Q 9 . ? -2.955 -17.715 -22.421 1.00 21.20 ? 1630 3EF A NBI 1 HETATM 10087 C CBE . 3EF Q 9 . ? -2.399 -15.387 -22.862 1.00 20.89 ? 1630 3EF A CBE 1 HETATM 10088 C CBQ . 3EF Q 9 . ? -3.756 -15.053 -23.140 1.00 21.79 ? 1630 3EF A CBQ 1 HETATM 10089 C CAS . 3EF Q 9 . ? -4.151 -14.645 -24.415 1.00 21.73 ? 1630 3EF A CAS 1 HETATM 10090 C CAM . 3EF Q 9 . ? -5.485 -14.299 -24.688 1.00 22.57 ? 1630 3EF A CAM 1 HETATM 10091 C CAI . 3EF Q 9 . ? -6.457 -14.368 -23.687 1.00 22.52 ? 1630 3EF A CAI 1 HETATM 10092 C CAN . 3EF Q 9 . ? -6.070 -14.781 -22.411 1.00 22.33 ? 1630 3EF A CAN 1 HETATM 10093 C CAT . 3EF Q 9 . ? -4.735 -15.118 -22.134 1.00 22.06 ? 1630 3EF A CAT 1 HETATM 10094 O OAC . 3EF Q 9 . ? 1.090 -14.130 -22.013 1.00 20.85 ? 1630 3EF A OAC 1 HETATM 10095 C CAJ . 3EF Q 9 . ? 9.453 -19.024 -22.040 1.00 30.10 ? 1630 3EF A CAJ 1 HETATM 10096 C CAO . 3EF Q 9 . ? 8.109 -19.396 -21.936 1.00 28.92 ? 1630 3EF A CAO 1 HETATM 10097 C CAP . 3EF Q 9 . ? 9.779 -17.745 -22.503 1.00 29.43 ? 1630 3EF A CAP 1 HETATM 10098 C CAU . 3EF Q 9 . ? 7.104 -18.496 -22.302 1.00 28.29 ? 1630 3EF A CAU 1 HETATM 10099 C CAV . 3EF Q 9 . ? 8.769 -16.854 -22.861 1.00 29.90 ? 1630 3EF A CAV 1 HETATM 10100 C CBA . 3EF Q 9 . ? 5.162 -16.709 -23.368 1.00 26.08 ? 1630 3EF A CBA 1 HETATM 10101 C CBC . 3EF Q 9 . ? 2.949 -15.661 -24.155 1.00 22.02 ? 1630 3EF A CBC 1 HETATM 10102 C CBF . 3EF Q 9 . ? 0.615 -16.231 -23.664 1.00 20.21 ? 1630 3EF A CBF 1 HETATM 10103 N NBG . 3EF Q 9 . ? 6.657 -15.093 -23.433 1.00 29.30 ? 1630 3EF A NBG 1 HETATM 10104 O OBK . 3EF Q 9 . ? 5.199 -14.579 -23.910 1.00 27.94 ? 1630 3EF A OBK 1 HETATM 10105 C CBN . 3EF Q 9 . ? 1.968 -14.994 -21.968 1.00 21.12 ? 1630 3EF A CBN 1 HETATM 10106 C CBS . 3EF Q 9 . ? 4.444 -15.661 -23.799 1.00 25.51 ? 1630 3EF A CBS 1 HETATM 10107 C CBT . 3EF Q 9 . ? 7.418 -17.216 -22.752 1.00 27.62 ? 1630 3EF A CBT 1 HETATM 10108 C CBU . 3EF Q 9 . ? 6.455 -16.372 -23.139 1.00 27.87 ? 1630 3EF A CBU 1 HETATM 10109 C CBV . 3EF Q 9 . ? 2.017 -16.096 -23.019 1.00 21.07 ? 1630 3EF A CBV 1 HETATM 10110 N N . 3EF Q 9 . ? 2.934 -15.012 -21.037 1.00 21.52 ? 1630 3EF A N 1 HETATM 10111 C CA . 3EF Q 9 . ? 3.046 -13.951 -20.013 1.00 23.71 ? 1630 3EF A CA 1 HETATM 10112 C C . 3EF Q 9 . ? 3.613 -12.676 -20.657 1.00 25.06 ? 1630 3EF A C 1 HETATM 10113 O O . 3EF Q 9 . ? 3.525 -11.617 -19.999 1.00 23.35 ? 1630 3EF A O 1 HETATM 10114 C CB . 3EF Q 9 . ? 3.942 -14.328 -18.824 1.00 24.89 ? 1630 3EF A CB 1 HETATM 10115 C CG . 3EF Q 9 . ? 4.944 -15.284 -18.974 1.00 27.32 ? 1630 3EF A CG 1 HETATM 10116 C CD1 . 3EF Q 9 . ? 6.281 -14.908 -19.142 1.00 28.73 ? 1630 3EF A CD1 1 HETATM 10117 C CD2 . 3EF Q 9 . ? 4.609 -16.639 -18.907 1.00 28.28 ? 1630 3EF A CD2 1 HETATM 10118 C CE1 . 3EF Q 9 . ? 7.272 -15.891 -19.263 1.00 28.57 ? 1630 3EF A CE1 1 HETATM 10119 C CE2 . 3EF Q 9 . ? 5.591 -17.618 -19.023 1.00 28.73 ? 1630 3EF A CE2 1 HETATM 10120 C CZ . 3EF Q 9 . ? 6.920 -17.246 -19.201 1.00 28.70 ? 1630 3EF A CZ 1 HETATM 10121 O OH . 3EF Q 9 . ? 7.866 -18.227 -19.305 1.00 28.91 ? 1630 3EF A OH 1 HETATM 10122 O OXT . 3EF Q 9 . ? 4.118 -12.785 -21.798 1.00 27.48 ? 1630 3EF A OXT 1 HETATM 10123 ZN ZN . ZN R 2 . ? -3.286 15.339 23.228 1.00 16.63 ? 1001 ZN B ZN 1 HETATM 10124 CL CL . CL S 3 . ? -4.216 5.458 19.595 1.00 24.47 ? 1003 CL B CL 1 HETATM 10125 C C1 . FUC T 4 . ? 22.211 14.812 -1.767 1.00 59.36 ? 1611 FUC B C1 1 HETATM 10126 C C2 . FUC T 4 . ? 21.078 14.742 -2.803 1.00 60.25 ? 1611 FUC B C2 1 HETATM 10127 C C3 . FUC T 4 . ? 20.498 16.096 -3.216 1.00 62.56 ? 1611 FUC B C3 1 HETATM 10128 C C4 . FUC T 4 . ? 21.475 17.274 -3.017 1.00 65.53 ? 1611 FUC B C4 1 HETATM 10129 C C5 . FUC T 4 . ? 22.953 16.843 -2.943 1.00 64.91 ? 1611 FUC B C5 1 HETATM 10130 C C6 . FUC T 4 . ? 23.558 16.341 -4.266 1.00 65.13 ? 1611 FUC B C6 1 HETATM 10131 O O2 . FUC T 4 . ? 20.040 13.928 -2.307 1.00 60.31 ? 1611 FUC B O2 1 HETATM 10132 O O3 . FUC T 4 . ? 20.076 15.990 -4.561 1.00 64.39 ? 1611 FUC B O3 1 HETATM 10133 O O4 . FUC T 4 . ? 21.288 18.310 -3.972 1.00 63.58 ? 1611 FUC B O4 1 HETATM 10134 O O5 . FUC T 4 . ? 23.132 15.899 -1.892 1.00 63.16 ? 1611 FUC B O5 1 HETATM 10135 C C1 . NAG U 5 . ? 21.251 10.678 -0.251 1.00 40.09 ? 1612 NAG B C1 1 HETATM 10136 C C2 . NAG U 5 . ? 22.426 9.837 -0.743 1.00 43.72 ? 1612 NAG B C2 1 HETATM 10137 C C3 . NAG U 5 . ? 23.798 10.416 -0.384 1.00 45.28 ? 1612 NAG B C3 1 HETATM 10138 C C4 . NAG U 5 . ? 23.859 11.939 -0.302 1.00 46.27 ? 1612 NAG B C4 1 HETATM 10139 C C5 . NAG U 5 . ? 22.591 12.518 0.337 1.00 46.65 ? 1612 NAG B C5 1 HETATM 10140 C C6 . NAG U 5 . ? 22.640 14.051 0.390 1.00 49.93 ? 1612 NAG B C6 1 HETATM 10141 C C7 . NAG U 5 . ? 22.614 7.420 -0.779 1.00 47.23 ? 1612 NAG B C7 1 HETATM 10142 C C8 . NAG U 5 . ? 22.485 6.118 -0.045 1.00 46.81 ? 1612 NAG B C8 1 HETATM 10143 N N2 . NAG U 5 . ? 22.328 8.531 -0.115 1.00 45.04 ? 1612 NAG B N2 1 HETATM 10144 O O3 . NAG U 5 . ? 24.743 9.992 -1.336 1.00 44.69 ? 1612 NAG B O3 1 HETATM 10145 O O4 . NAG U 5 . ? 25.008 12.276 0.444 1.00 45.67 ? 1612 NAG B O4 1 HETATM 10146 O O5 . NAG U 5 . ? 21.459 12.066 -0.394 1.00 42.94 ? 1612 NAG B O5 1 HETATM 10147 O O6 . NAG U 5 . ? 21.669 14.669 -0.436 1.00 54.03 ? 1612 NAG B O6 1 HETATM 10148 O O7 . NAG U 5 . ? 22.971 7.437 -1.953 1.00 53.37 ? 1612 NAG B O7 1 HETATM 10149 C C1 . NAG V 5 . ? 18.896 18.740 36.124 1.00 43.19 ? 1614 NAG B C1 1 HETATM 10150 C C2 . NAG V 5 . ? 18.765 19.560 37.409 1.00 46.31 ? 1614 NAG B C2 1 HETATM 10151 C C3 . NAG V 5 . ? 20.021 19.459 38.290 1.00 49.19 ? 1614 NAG B C3 1 HETATM 10152 C C4 . NAG V 5 . ? 20.621 18.046 38.372 1.00 51.70 ? 1614 NAG B C4 1 HETATM 10153 C C5 . NAG V 5 . ? 20.597 17.339 37.007 1.00 48.67 ? 1614 NAG B C5 1 HETATM 10154 C C6 . NAG V 5 . ? 20.944 15.855 37.056 1.00 46.68 ? 1614 NAG B C6 1 HETATM 10155 C C7 . NAG V 5 . ? 17.337 21.558 37.398 1.00 45.30 ? 1614 NAG B C7 1 HETATM 10156 C C8 . NAG V 5 . ? 17.227 22.999 36.989 1.00 45.58 ? 1614 NAG B C8 1 HETATM 10157 N N2 . NAG V 5 . ? 18.484 20.950 37.086 1.00 45.12 ? 1614 NAG B N2 1 HETATM 10158 O O3 . NAG V 5 . ? 19.702 19.917 39.588 1.00 47.86 ? 1614 NAG B O3 1 HETATM 10159 O O4 . NAG V 5 . ? 21.955 18.154 38.839 1.00 59.95 ? 1614 NAG B O4 1 HETATM 10160 O O5 . NAG V 5 . ? 19.306 17.430 36.452 1.00 44.99 ? 1614 NAG B O5 1 HETATM 10161 O O6 . NAG V 5 . ? 21.356 15.437 35.765 1.00 42.91 ? 1614 NAG B O6 1 HETATM 10162 O O7 . NAG V 5 . ? 16.401 21.010 37.985 1.00 44.32 ? 1614 NAG B O7 1 HETATM 10163 C C1 . NAG W 5 . ? 22.112 17.537 40.140 1.00 66.33 ? 1615 NAG B C1 1 HETATM 10164 C C2 . NAG W 5 . ? 23.606 17.303 40.389 1.00 70.26 ? 1615 NAG B C2 1 HETATM 10165 C C3 . NAG W 5 . ? 23.924 17.178 41.879 1.00 72.71 ? 1615 NAG B C3 1 HETATM 10166 C C4 . NAG W 5 . ? 23.436 18.390 42.675 1.00 73.72 ? 1615 NAG B C4 1 HETATM 10167 C C5 . NAG W 5 . ? 22.178 19.060 42.094 1.00 73.35 ? 1615 NAG B C5 1 HETATM 10168 C C6 . NAG W 5 . ? 22.502 20.418 41.456 1.00 75.15 ? 1615 NAG B C6 1 HETATM 10169 C C7 . NAG W 5 . ? 24.677 16.234 38.458 1.00 73.32 ? 1615 NAG B C7 1 HETATM 10170 C C8 . NAG W 5 . ? 25.072 14.937 37.810 1.00 73.33 ? 1615 NAG B C8 1 HETATM 10171 N N2 . NAG W 5 . ? 24.054 16.140 39.638 1.00 71.60 ? 1615 NAG B N2 1 HETATM 10172 O O3 . NAG W 5 . ? 25.318 17.053 42.055 1.00 73.45 ? 1615 NAG B O3 1 HETATM 10173 O O4 . NAG W 5 . ? 23.184 17.995 44.007 1.00 75.26 ? 1615 NAG B O4 1 HETATM 10174 O O5 . NAG W 5 . ? 21.441 18.222 41.201 1.00 69.07 ? 1615 NAG B O5 1 HETATM 10175 O O6 . NAG W 5 . ? 21.690 21.419 42.026 1.00 75.51 ? 1615 NAG B O6 1 HETATM 10176 O O7 . NAG W 5 . ? 24.931 17.306 37.901 1.00 73.90 ? 1615 NAG B O7 1 HETATM 10177 C C1 . NAG X 5 . ? -26.143 35.191 11.780 1.00 54.88 ? 1616 NAG B C1 1 HETATM 10178 C C2 . NAG X 5 . ? -26.647 34.794 13.172 1.00 55.04 ? 1616 NAG B C2 1 HETATM 10179 C C3 . NAG X 5 . ? -27.341 33.429 13.128 1.00 54.96 ? 1616 NAG B C3 1 HETATM 10180 C C4 . NAG X 5 . ? -28.410 33.372 12.028 1.00 56.92 ? 1616 NAG B C4 1 HETATM 10181 C C5 . NAG X 5 . ? -27.800 33.858 10.697 1.00 56.95 ? 1616 NAG B C5 1 HETATM 10182 C C6 . NAG X 5 . ? -28.794 33.947 9.540 1.00 58.09 ? 1616 NAG B C6 1 HETATM 10183 C C7 . NAG X 5 . ? -25.437 35.546 15.176 1.00 54.84 ? 1616 NAG B C7 1 HETATM 10184 C C8 . NAG X 5 . ? -24.203 35.371 16.014 1.00 54.54 ? 1616 NAG B C8 1 HETATM 10185 N N2 . NAG X 5 . ? -25.530 34.765 14.099 1.00 55.81 ? 1616 NAG B N2 1 HETATM 10186 O O3 . NAG X 5 . ? -27.887 33.117 14.391 1.00 52.64 ? 1616 NAG B O3 1 HETATM 10187 O O4 . NAG X 5 . ? -28.888 32.042 11.905 1.00 60.42 ? 1616 NAG B O4 1 HETATM 10188 O O5 . NAG X 5 . ? -27.200 35.138 10.837 1.00 55.77 ? 1616 NAG B O5 1 HETATM 10189 O O6 . NAG X 5 . ? -28.073 34.147 8.342 1.00 58.97 ? 1616 NAG B O6 1 HETATM 10190 O O7 . NAG X 5 . ? -26.292 36.370 15.499 1.00 55.59 ? 1616 NAG B O7 1 HETATM 10191 C C1 . NAG Y 5 . ? -30.234 31.838 12.409 1.00 65.96 ? 1617 NAG B C1 1 HETATM 10192 C C2 . NAG Y 5 . ? -30.788 30.569 11.752 1.00 68.11 ? 1617 NAG B C2 1 HETATM 10193 C C3 . NAG Y 5 . ? -32.109 30.086 12.357 1.00 69.05 ? 1617 NAG B C3 1 HETATM 10194 C C4 . NAG Y 5 . ? -32.221 30.188 13.880 1.00 71.08 ? 1617 NAG B C4 1 HETATM 10195 C C5 . NAG Y 5 . ? -31.538 31.451 14.433 1.00 70.13 ? 1617 NAG B C5 1 HETATM 10196 C C6 . NAG Y 5 . ? -31.302 31.286 15.934 1.00 69.60 ? 1617 NAG B C6 1 HETATM 10197 C C7 . NAG Y 5 . ? -30.084 30.447 9.383 1.00 69.90 ? 1617 NAG B C7 1 HETATM 10198 C C8 . NAG Y 5 . ? -30.474 30.742 7.961 1.00 70.09 ? 1617 NAG B C8 1 HETATM 10199 N N2 . NAG Y 5 . ? -30.977 30.779 10.323 1.00 69.43 ? 1617 NAG B N2 1 HETATM 10200 O O3 . NAG Y 5 . ? -32.295 28.739 11.993 1.00 67.96 ? 1617 NAG B O3 1 HETATM 10201 O O4 . NAG Y 5 . ? -33.608 30.205 14.170 1.00 74.95 ? 1617 NAG B O4 1 HETATM 10202 O O5 . NAG Y 5 . ? -30.280 31.723 13.823 1.00 67.82 ? 1617 NAG B O5 1 HETATM 10203 O O6 . NAG Y 5 . ? -30.751 32.460 16.485 1.00 69.99 ? 1617 NAG B O6 1 HETATM 10204 O O7 . NAG Y 5 . ? -28.992 29.930 9.626 1.00 69.00 ? 1617 NAG B O7 1 HETATM 10205 C C1 . BMA Z 6 . ? -34.031 29.381 15.285 1.00 78.90 ? 1618 BMA B C1 1 HETATM 10206 C C2 . BMA Z 6 . ? -34.964 30.229 16.168 1.00 80.85 ? 1618 BMA B C2 1 HETATM 10207 C C3 . BMA Z 6 . ? -35.720 29.407 17.215 1.00 81.05 ? 1618 BMA B C3 1 HETATM 10208 C C4 . BMA Z 6 . ? -36.405 28.218 16.551 1.00 81.16 ? 1618 BMA B C4 1 HETATM 10209 C C5 . BMA Z 6 . ? -35.325 27.375 15.868 1.00 80.09 ? 1618 BMA B C5 1 HETATM 10210 C C6 . BMA Z 6 . ? -35.905 26.121 15.225 1.00 79.74 ? 1618 BMA B C6 1 HETATM 10211 O O2 . BMA Z 6 . ? -35.911 30.928 15.343 1.00 84.50 ? 1618 BMA B O2 1 HETATM 10212 O O3 . BMA Z 6 . ? -36.689 30.221 17.885 1.00 80.37 ? 1618 BMA B O3 1 HETATM 10213 O O4 . BMA Z 6 . ? -37.136 27.470 17.533 1.00 82.08 ? 1618 BMA B O4 1 HETATM 10214 O O5 . BMA Z 6 . ? -34.640 28.146 14.863 1.00 80.02 ? 1618 BMA B O5 1 HETATM 10215 O O6 . BMA Z 6 . ? -34.835 25.346 14.675 1.00 77.84 ? 1618 BMA B O6 1 HETATM 10216 C C1 . PEG AA 7 . ? -6.451 35.054 37.404 1.00 44.50 ? 1621 PEG B C1 1 HETATM 10217 O O1 . PEG AA 7 . ? -5.254 35.680 36.911 1.00 46.69 ? 1621 PEG B O1 1 HETATM 10218 C C2 . PEG AA 7 . ? -6.124 34.010 38.470 1.00 44.76 ? 1621 PEG B C2 1 HETATM 10219 O O2 . PEG AA 7 . ? -5.242 34.537 39.467 1.00 46.24 ? 1621 PEG B O2 1 HETATM 10220 C C3 . PEG AA 7 . ? -3.984 33.861 39.487 1.00 43.69 ? 1621 PEG B C3 1 HETATM 10221 C C4 . PEG AA 7 . ? -3.017 34.579 40.419 1.00 42.75 ? 1621 PEG B C4 1 HETATM 10222 O O4 . PEG AA 7 . ? -1.976 35.193 39.649 1.00 42.30 ? 1621 PEG B O4 1 HETATM 10223 O O1 . P6G BA 10 . ? -2.687 38.232 36.121 1.00 43.35 ? 1622 P6G B O1 1 HETATM 10224 C C2 . P6G BA 10 . ? -2.566 39.621 35.809 1.00 44.20 ? 1622 P6G B C2 1 HETATM 10225 C C3 . P6G BA 10 . ? -1.148 39.924 35.334 1.00 44.72 ? 1622 P6G B C3 1 HETATM 10226 O O4 . P6G BA 10 . ? -1.149 40.327 33.962 1.00 46.86 ? 1622 P6G B O4 1 HETATM 10227 C C5 . P6G BA 10 . ? -1.469 41.702 33.710 1.00 44.82 ? 1622 P6G B C5 1 HETATM 10228 C C6 . P6G BA 10 . ? -1.521 41.961 32.201 1.00 44.61 ? 1622 P6G B C6 1 HETATM 10229 O O7 . P6G BA 10 . ? -2.397 41.041 31.545 1.00 46.02 ? 1622 P6G B O7 1 HETATM 10230 C C8 . P6G BA 10 . ? -2.716 41.385 30.188 1.00 46.24 ? 1622 P6G B C8 1 HETATM 10231 C C9 . P6G BA 10 . ? -3.445 40.227 29.494 1.00 47.39 ? 1622 P6G B C9 1 HETATM 10232 O O10 . P6G BA 10 . ? -4.871 40.370 29.547 1.00 50.06 ? 1622 P6G B O10 1 HETATM 10233 C C11 . P6G BA 10 . ? -5.567 39.112 29.517 1.00 50.06 ? 1622 P6G B C11 1 HETATM 10234 C C12 . P6G BA 10 . ? -6.816 39.142 30.401 1.00 49.51 ? 1622 P6G B C12 1 HETATM 10235 O O13 . P6G BA 10 . ? -7.777 38.150 30.013 1.00 51.50 ? 1622 P6G B O13 1 HETATM 10236 C C14 . P6G BA 10 . ? -9.141 38.597 30.173 1.00 49.86 ? 1622 P6G B C14 1 HETATM 10237 C C15 . P6G BA 10 . ? -10.160 37.669 29.491 1.00 47.05 ? 1622 P6G B C15 1 HETATM 10238 O O16 . P6G BA 10 . ? -11.193 37.258 30.407 1.00 45.69 ? 1622 P6G B O16 1 HETATM 10239 C C17 . P6G BA 10 . ? -11.390 35.837 30.471 1.00 42.40 ? 1622 P6G B C17 1 HETATM 10240 C C18 . P6G BA 10 . ? -11.899 35.373 31.838 1.00 40.74 ? 1622 P6G B C18 1 HETATM 10241 O O19 . P6G BA 10 . ? -10.857 34.811 32.658 1.00 38.80 ? 1622 P6G B O19 1 HETATM 10242 C C1 . PEG CA 7 . ? 5.510 10.989 29.580 1.00 45.47 ? 1623 PEG B C1 1 HETATM 10243 O O1 . PEG CA 7 . ? 5.961 9.818 28.883 1.00 46.81 ? 1623 PEG B O1 1 HETATM 10244 C C2 . PEG CA 7 . ? 4.500 11.796 28.773 1.00 42.76 ? 1623 PEG B C2 1 HETATM 10245 O O2 . PEG CA 7 . ? 3.176 11.610 29.286 1.00 43.42 ? 1623 PEG B O2 1 HETATM 10246 C C3 . PEG CA 7 . ? 2.202 11.601 28.243 1.00 43.45 ? 1623 PEG B C3 1 HETATM 10247 C C4 . PEG CA 7 . ? 1.004 10.747 28.632 1.00 45.89 ? 1623 PEG B C4 1 HETATM 10248 O O4 . PEG CA 7 . ? 0.999 9.536 27.856 1.00 48.22 ? 1623 PEG B O4 1 HETATM 10249 C C1 . PEG DA 7 . ? 5.764 14.843 42.495 1.00 51.68 ? 1624 PEG B C1 1 HETATM 10250 O O1 . PEG DA 7 . ? 5.607 14.571 43.893 1.00 51.31 ? 1624 PEG B O1 1 HETATM 10251 C C2 . PEG DA 7 . ? 7.177 14.474 42.052 1.00 54.65 ? 1624 PEG B C2 1 HETATM 10252 O O2 . PEG DA 7 . ? 7.619 15.357 41.015 1.00 54.36 ? 1624 PEG B O2 1 HETATM 10253 C C3 . PEG DA 7 . ? 8.881 15.964 41.319 1.00 56.28 ? 1624 PEG B C3 1 HETATM 10254 C C4 . PEG DA 7 . ? 8.715 17.425 41.741 1.00 56.92 ? 1624 PEG B C4 1 HETATM 10255 O O4 . PEG DA 7 . ? 9.268 18.296 40.743 1.00 56.31 ? 1624 PEG B O4 1 HETATM 10256 O OAB . 3EF EA 9 . ? -0.340 14.426 26.689 1.00 20.03 ? 1630 3EF B OAB 1 HETATM 10257 C CAH . 3EF EA 9 . ? -4.686 8.952 26.843 1.00 27.25 ? 1630 3EF B CAH 1 HETATM 10258 C CAK . 3EF EA 9 . ? -4.134 9.303 28.076 1.00 27.63 ? 1630 3EF B CAK 1 HETATM 10259 C CAL . 3EF EA 9 . ? -4.485 9.763 25.724 1.00 27.40 ? 1630 3EF B CAL 1 HETATM 10260 C CAQ . 3EF EA 9 . ? -3.361 10.463 28.199 1.00 27.82 ? 1630 3EF B CAQ 1 HETATM 10261 C CAR . 3EF EA 9 . ? -3.710 10.924 25.856 1.00 27.43 ? 1630 3EF B CAR 1 HETATM 10262 C CBB . 3EF EA 9 . ? -2.364 12.464 27.189 1.00 25.97 ? 1630 3EF B CBB 1 HETATM 10263 O OBJ . 3EF EA 9 . ? -1.274 12.381 26.247 1.00 24.56 ? 1630 3EF B OBJ 1 HETATM 10264 C CBM . 3EF EA 9 . ? -0.588 13.511 25.883 1.00 22.96 ? 1630 3EF B CBM 1 HETATM 10265 C CBP . 3EF EA 9 . ? -3.147 11.280 27.081 1.00 27.13 ? 1630 3EF B CBP 1 HETATM 10266 O OAD . 3EF EA 9 . ? -1.368 15.014 22.117 1.00 21.05 ? 1630 3EF B OAD 1 HETATM 10267 P PBY . 3EF EA 9 . ? -0.621 15.738 23.186 1.00 20.11 ? 1630 3EF B PBY 1 HETATM 10268 O OAG . 3EF EA 9 . ? -1.403 16.413 24.245 1.00 18.30 ? 1630 3EF B OAG 1 HETATM 10269 C CBX . 3EF EA 9 . ? 0.595 14.660 24.031 1.00 20.10 ? 1630 3EF B CBX 1 HETATM 10270 N NBI . 3EF EA 9 . ? -0.166 13.559 24.615 1.00 20.92 ? 1630 3EF B NBI 1 HETATM 10271 C CBE . 3EF EA 9 . ? 1.667 14.038 23.098 1.00 20.94 ? 1630 3EF B CBE 1 HETATM 10272 C CBQ . 3EF EA 9 . ? 2.533 13.156 23.790 1.00 22.07 ? 1630 3EF B CBQ 1 HETATM 10273 C CAS . 3EF EA 9 . ? 3.713 13.611 24.402 1.00 21.10 ? 1630 3EF B CAS 1 HETATM 10274 C CAM . 3EF EA 9 . ? 4.553 12.700 25.061 1.00 22.19 ? 1630 3EF B CAM 1 HETATM 10275 C CAI . 3EF EA 9 . ? 4.248 11.337 25.113 1.00 22.02 ? 1630 3EF B CAI 1 HETATM 10276 C CAN . 3EF EA 9 . ? 3.080 10.889 24.491 1.00 23.12 ? 1630 3EF B CAN 1 HETATM 10277 C CAT . 3EF EA 9 . ? 2.245 11.791 23.837 1.00 21.70 ? 1630 3EF B CAT 1 HETATM 10278 O OAC . 3EF EA 9 . ? 1.012 16.133 19.926 1.00 19.49 ? 1630 3EF B OAC 1 HETATM 10279 C CAJ . 3EF EA 9 . ? -5.695 22.975 18.501 1.00 28.17 ? 1630 3EF B CAJ 1 HETATM 10280 C CAO . 3EF EA 9 . ? -5.600 21.912 19.392 1.00 26.93 ? 1630 3EF B CAO 1 HETATM 10281 C CAP . 3EF EA 9 . ? -4.554 23.410 17.815 1.00 29.07 ? 1630 3EF B CAP 1 HETATM 10282 C CAU . 3EF EA 9 . ? -4.380 21.277 19.622 1.00 27.63 ? 1630 3EF B CAU 1 HETATM 10283 C CAV . 3EF EA 9 . ? -3.329 22.771 18.046 1.00 30.39 ? 1630 3EF B CAV 1 HETATM 10284 C CBA . 3EF EA 9 . ? -1.732 20.339 20.218 1.00 26.36 ? 1630 3EF B CBA 1 HETATM 10285 C CBC . 3EF EA 9 . ? 0.319 19.059 21.109 1.00 21.88 ? 1630 3EF B CBC 1 HETATM 10286 C CBF . 3EF EA 9 . ? 0.418 17.000 22.423 1.00 20.20 ? 1630 3EF B CBF 1 HETATM 10287 N NBG . 3EF EA 9 . ? -1.013 21.271 18.365 1.00 28.75 ? 1630 3EF B NBG 1 HETATM 10288 O OBK . 3EF EA 9 . ? 0.115 20.452 19.048 1.00 28.43 ? 1630 3EF B OBK 1 HETATM 10289 C CBN . 3EF EA 9 . ? 0.026 16.859 19.963 1.00 19.40 ? 1630 3EF B CBN 1 HETATM 10290 C CBS . 3EF EA 9 . ? -0.447 19.951 20.128 1.00 24.82 ? 1630 3EF B CBS 1 HETATM 10291 C CBT . 3EF EA 9 . ? -3.238 21.695 18.946 1.00 27.85 ? 1630 3EF B CBT 1 HETATM 10292 C CBU . 3EF EA 9 . ? -2.059 21.114 19.165 1.00 27.68 ? 1630 3EF B CBU 1 HETATM 10293 C CBV . 3EF EA 9 . ? -0.277 17.662 21.235 1.00 20.40 ? 1630 3EF B CBV 1 HETATM 10294 N N . 3EF EA 9 . ? -0.818 17.020 18.932 1.00 19.27 ? 1630 3EF B N 1 HETATM 10295 C CA . 3EF EA 9 . ? -0.603 16.325 17.649 1.00 20.98 ? 1630 3EF B CA 1 HETATM 10296 C C . 3EF EA 9 . ? 0.526 16.996 16.869 1.00 22.16 ? 1630 3EF B C 1 HETATM 10297 O O . 3EF EA 9 . ? 0.931 16.420 15.840 1.00 21.19 ? 1630 3EF B O 1 HETATM 10298 C CB . 3EF EA 9 . ? -1.829 16.303 16.745 1.00 23.14 ? 1630 3EF B CB 1 HETATM 10299 C CG . 3EF EA 9 . ? -2.841 17.256 16.903 1.00 25.76 ? 1630 3EF B CG 1 HETATM 10300 C CD1 . 3EF EA 9 . ? -3.015 18.265 15.958 1.00 27.74 ? 1630 3EF B CD1 1 HETATM 10301 C CD2 . 3EF EA 9 . ? -3.713 17.157 17.987 1.00 25.94 ? 1630 3EF B CD2 1 HETATM 10302 C CE1 . 3EF EA 9 . ? -4.058 19.188 16.126 1.00 28.99 ? 1630 3EF B CE1 1 HETATM 10303 C CE2 . 3EF EA 9 . ? -4.753 18.060 18.149 1.00 28.05 ? 1630 3EF B CE2 1 HETATM 10304 C CZ . 3EF EA 9 . ? -4.927 19.078 17.221 1.00 28.70 ? 1630 3EF B CZ 1 HETATM 10305 O OH . 3EF EA 9 . ? -5.967 19.942 17.403 1.00 30.03 ? 1630 3EF B OH 1 HETATM 10306 O OXT . 3EF EA 9 . ? 0.929 18.083 17.315 1.00 23.41 ? 1630 3EF B OXT 1 HETATM 10307 O O . HOH FA 11 . ? -35.420 -32.146 -0.112 1.00 46.90 ? 2001 HOH A O 1 HETATM 10308 O O . HOH FA 11 . ? -32.413 -29.506 -19.381 1.00 38.93 ? 2002 HOH A O 1 HETATM 10309 O O . HOH FA 11 . ? -21.417 -19.019 -16.233 1.00 35.02 ? 2003 HOH A O 1 HETATM 10310 O O . HOH FA 11 . ? -34.201 -34.684 -10.731 1.00 41.99 ? 2004 HOH A O 1 HETATM 10311 O O . HOH FA 11 . ? -36.429 -33.739 -2.201 1.00 39.86 ? 2005 HOH A O 1 HETATM 10312 O O . HOH FA 11 . ? -24.077 -36.737 -4.910 1.00 24.00 ? 2006 HOH A O 1 HETATM 10313 O O . HOH FA 11 . ? -17.309 -14.458 -36.880 1.00 34.04 ? 2007 HOH A O 1 HETATM 10314 O O . HOH FA 11 . ? -13.371 -10.487 -25.579 1.00 36.37 ? 2008 HOH A O 1 HETATM 10315 O O . HOH FA 11 . ? -26.718 -37.852 -5.282 1.00 30.06 ? 2009 HOH A O 1 HETATM 10316 O O . HOH FA 11 . ? -29.194 -38.435 -9.233 1.00 27.22 ? 2010 HOH A O 1 HETATM 10317 O O . HOH FA 11 . ? -22.975 -20.972 -17.301 1.00 40.07 ? 2011 HOH A O 1 HETATM 10318 O O . HOH FA 11 . ? -19.467 -23.138 -19.135 1.00 45.12 ? 2012 HOH A O 1 HETATM 10319 O O . HOH FA 11 . ? -19.321 -32.324 -20.883 1.00 45.75 ? 2013 HOH A O 1 HETATM 10320 O O . HOH FA 11 . ? -42.517 -22.074 -9.001 1.00 26.03 ? 2014 HOH A O 1 HETATM 10321 O O . HOH FA 11 . ? -16.105 -12.932 -34.873 1.00 31.88 ? 2015 HOH A O 1 HETATM 10322 O O . HOH FA 11 . ? -12.849 -12.561 -27.712 1.00 31.84 ? 2016 HOH A O 1 HETATM 10323 O O . HOH FA 11 . ? -12.011 -14.068 -39.816 1.00 34.03 ? 2017 HOH A O 1 HETATM 10324 O O . HOH FA 11 . ? -12.389 -5.083 -31.678 1.00 38.08 ? 2018 HOH A O 1 HETATM 10325 O O . HOH FA 11 . ? -11.392 -9.792 -23.774 1.00 33.39 ? 2019 HOH A O 1 HETATM 10326 O O . HOH FA 11 . ? -9.660 -10.046 -28.607 1.00 26.10 ? 2020 HOH A O 1 HETATM 10327 O O . HOH FA 11 . ? -6.485 -12.682 -27.842 1.00 22.95 ? 2021 HOH A O 1 HETATM 10328 O O . HOH FA 11 . ? 1.124 -7.766 -29.632 1.00 39.23 ? 2022 HOH A O 1 HETATM 10329 O O . HOH FA 11 . ? 6.720 -11.110 -37.667 1.00 29.91 ? 2023 HOH A O 1 HETATM 10330 O O . HOH FA 11 . ? -14.694 -8.433 -30.236 1.00 35.03 ? 2024 HOH A O 1 HETATM 10331 O O . HOH FA 11 . ? -23.038 -7.811 -26.661 1.00 30.52 ? 2025 HOH A O 1 HETATM 10332 O O . HOH FA 11 . ? -21.996 -5.307 -27.014 1.00 34.72 ? 2026 HOH A O 1 HETATM 10333 O O . HOH FA 11 . ? -17.577 -2.416 -29.786 1.00 52.36 ? 2027 HOH A O 1 HETATM 10334 O O . HOH FA 11 . ? -26.638 -13.120 -29.138 1.00 35.00 ? 2028 HOH A O 1 HETATM 10335 O O . HOH FA 11 . ? -20.006 -13.793 -22.375 1.00 31.01 ? 2029 HOH A O 1 HETATM 10336 O O . HOH FA 11 . ? -7.876 9.594 -18.929 1.00 26.70 ? 2030 HOH A O 1 HETATM 10337 O O . HOH FA 11 . ? -27.369 -11.642 -23.135 1.00 31.87 ? 2031 HOH A O 1 HETATM 10338 O O . HOH FA 11 . ? -14.963 4.645 -11.673 1.00 34.12 ? 2032 HOH A O 1 HETATM 10339 O O . HOH FA 11 . ? -15.081 0.997 -9.675 1.00 37.38 ? 2033 HOH A O 1 HETATM 10340 O O . HOH FA 11 . ? -18.362 -11.292 -22.303 1.00 34.62 ? 2034 HOH A O 1 HETATM 10341 O O . HOH FA 11 . ? -31.199 -16.274 -20.163 1.00 40.30 ? 2035 HOH A O 1 HETATM 10342 O O . HOH FA 11 . ? -29.665 -11.401 -24.750 1.00 36.27 ? 2036 HOH A O 1 HETATM 10343 O O . HOH FA 11 . ? -24.108 -19.893 -14.857 1.00 41.13 ? 2037 HOH A O 1 HETATM 10344 O O . HOH FA 11 . ? -7.838 -6.949 -2.212 1.00 30.17 ? 2038 HOH A O 1 HETATM 10345 O O . HOH FA 11 . ? -33.616 -20.585 -15.646 1.00 36.55 ? 2039 HOH A O 1 HETATM 10346 O O . HOH FA 11 . ? -16.990 -20.270 -9.037 1.00 34.99 ? 2040 HOH A O 1 HETATM 10347 O O . HOH FA 11 . ? -34.532 -20.368 -12.789 1.00 48.17 ? 2041 HOH A O 1 HETATM 10348 O O . HOH FA 11 . ? -33.632 -18.050 -9.520 1.00 44.68 ? 2042 HOH A O 1 HETATM 10349 O O . HOH FA 11 . ? -27.114 -13.990 -9.203 1.00 35.00 ? 2043 HOH A O 1 HETATM 10350 O O . HOH FA 11 . ? -40.147 -20.671 -10.189 1.00 44.40 ? 2044 HOH A O 1 HETATM 10351 O O . HOH FA 11 . ? -18.332 -37.570 -3.546 1.00 36.25 ? 2045 HOH A O 1 HETATM 10352 O O . HOH FA 11 . ? -19.081 -36.420 -8.686 1.00 27.50 ? 2046 HOH A O 1 HETATM 10353 O O . HOH FA 11 . ? -16.673 -36.247 -5.726 1.00 27.92 ? 2047 HOH A O 1 HETATM 10354 O O . HOH FA 11 . ? -13.757 -30.996 -9.011 1.00 40.08 ? 2048 HOH A O 1 HETATM 10355 O O . HOH FA 11 . ? -8.388 -26.951 -6.788 1.00 28.89 ? 2049 HOH A O 1 HETATM 10356 O O . HOH FA 11 . ? -8.641 -28.500 -9.410 1.00 28.46 ? 2050 HOH A O 1 HETATM 10357 O O . HOH FA 11 . ? -25.260 -15.499 -7.723 1.00 30.66 ? 2051 HOH A O 1 HETATM 10358 O O . HOH FA 11 . ? -21.144 -16.436 -16.619 1.00 45.79 ? 2052 HOH A O 1 HETATM 10359 O O . HOH FA 11 . ? -18.498 -13.180 -16.596 1.00 35.72 ? 2053 HOH A O 1 HETATM 10360 O O . HOH FA 11 . ? 8.833 -33.847 -37.034 1.00 33.10 ? 2054 HOH A O 1 HETATM 10361 O O . HOH FA 11 . ? 10.824 -40.927 -29.195 1.00 23.04 ? 2055 HOH A O 1 HETATM 10362 O O . HOH FA 11 . ? -31.322 -3.635 -19.943 1.00 32.80 ? 2056 HOH A O 1 HETATM 10363 O O . HOH FA 11 . ? -25.151 0.348 -20.276 1.00 33.25 ? 2057 HOH A O 1 HETATM 10364 O O . HOH FA 11 . ? -5.367 -35.575 -30.348 1.00 39.31 ? 2058 HOH A O 1 HETATM 10365 O O . HOH FA 11 . ? -1.376 -36.777 -38.197 1.00 26.32 ? 2059 HOH A O 1 HETATM 10366 O O . HOH FA 11 . ? -30.406 -2.998 -24.653 1.00 31.42 ? 2060 HOH A O 1 HETATM 10367 O O . HOH FA 11 . ? -19.013 2.265 -21.567 1.00 44.22 ? 2061 HOH A O 1 HETATM 10368 O O . HOH FA 11 . ? -14.978 -9.456 -15.231 1.00 33.17 ? 2062 HOH A O 1 HETATM 10369 O O . HOH FA 11 . ? -10.767 -7.261 -23.534 1.00 23.59 ? 2063 HOH A O 1 HETATM 10370 O O . HOH FA 11 . ? -5.558 -7.315 -27.798 1.00 24.34 ? 2064 HOH A O 1 HETATM 10371 O O . HOH FA 11 . ? -12.610 -3.955 -34.166 1.00 48.52 ? 2065 HOH A O 1 HETATM 10372 O O . HOH FA 11 . ? -0.274 -4.892 -30.407 1.00 31.28 ? 2066 HOH A O 1 HETATM 10373 O O . HOH FA 11 . ? 1.706 -8.168 -26.192 1.00 20.30 ? 2067 HOH A O 1 HETATM 10374 O O . HOH FA 11 . ? 2.466 -7.894 -23.087 1.00 30.84 ? 2068 HOH A O 1 HETATM 10375 O O . HOH FA 11 . ? -1.193 -7.017 -32.251 1.00 35.74 ? 2069 HOH A O 1 HETATM 10376 O O . HOH FA 11 . ? -2.808 -5.785 -35.545 1.00 36.25 ? 2070 HOH A O 1 HETATM 10377 O O . HOH FA 11 . ? -1.609 -8.295 -29.478 1.00 23.53 ? 2071 HOH A O 1 HETATM 10378 O O . HOH FA 11 . ? 0.763 -3.067 -32.338 1.00 29.32 ? 2072 HOH A O 1 HETATM 10379 O O . HOH FA 11 . ? 1.760 -6.311 -32.865 1.00 35.76 ? 2073 HOH A O 1 HETATM 10380 O O . HOH FA 11 . ? 6.297 -12.675 -31.427 1.00 31.35 ? 2074 HOH A O 1 HETATM 10381 O O . HOH FA 11 . ? 5.844 -11.312 -35.187 1.00 34.68 ? 2075 HOH A O 1 HETATM 10382 O O . HOH FA 11 . ? 3.102 -13.964 -30.764 1.00 34.02 ? 2076 HOH A O 1 HETATM 10383 O O . HOH FA 11 . ? 3.354 -10.449 -29.234 1.00 40.28 ? 2077 HOH A O 1 HETATM 10384 O O . HOH FA 11 . ? 12.447 -3.276 -35.425 1.00 39.84 ? 2078 HOH A O 1 HETATM 10385 O O . HOH FA 11 . ? 11.812 -7.295 -26.699 1.00 20.07 ? 2079 HOH A O 1 HETATM 10386 O O . HOH FA 11 . ? 6.819 -8.106 -26.903 1.00 32.14 ? 2080 HOH A O 1 HETATM 10387 O O . HOH FA 11 . ? 11.565 -5.770 -36.907 1.00 41.50 ? 2081 HOH A O 1 HETATM 10388 O O . HOH FA 11 . ? 31.300 -24.357 -7.837 1.00 32.68 ? 2082 HOH A O 1 HETATM 10389 O O . HOH FA 11 . ? 15.960 -2.901 -23.820 1.00 17.71 ? 2083 HOH A O 1 HETATM 10390 O O . HOH FA 11 . ? 18.435 -3.122 -25.058 1.00 27.94 ? 2084 HOH A O 1 HETATM 10391 O O . HOH FA 11 . ? 19.229 -5.713 -25.869 1.00 32.10 ? 2085 HOH A O 1 HETATM 10392 O O . HOH FA 11 . ? 30.192 -26.506 -9.168 1.00 38.75 ? 2086 HOH A O 1 HETATM 10393 O O . HOH FA 11 . ? 22.910 4.948 -26.309 1.00 31.60 ? 2087 HOH A O 1 HETATM 10394 O O . HOH FA 11 . ? 15.572 9.304 -20.246 1.00 26.36 ? 2088 HOH A O 1 HETATM 10395 O O . HOH FA 11 . ? 13.763 9.674 -27.665 1.00 33.65 ? 2089 HOH A O 1 HETATM 10396 O O . HOH FA 11 . ? 7.913 7.979 -28.888 1.00 32.11 ? 2090 HOH A O 1 HETATM 10397 O O . HOH FA 11 . ? -12.620 3.094 -7.470 1.00 37.92 ? 2091 HOH A O 1 HETATM 10398 O O . HOH FA 11 . ? 9.247 -1.357 -19.029 1.00 20.83 ? 2092 HOH A O 1 HETATM 10399 O O . HOH FA 11 . ? 5.258 11.013 -22.677 1.00 35.41 ? 2093 HOH A O 1 HETATM 10400 O O . HOH FA 11 . ? 2.809 7.035 -29.256 1.00 30.01 ? 2094 HOH A O 1 HETATM 10401 O O . HOH FA 11 . ? 0.278 5.383 -20.858 1.00 22.09 ? 2095 HOH A O 1 HETATM 10402 O O . HOH FA 11 . ? 3.426 -1.441 -19.048 1.00 26.30 ? 2096 HOH A O 1 HETATM 10403 O O . HOH FA 11 . ? 4.791 0.199 -17.618 1.00 24.60 ? 2097 HOH A O 1 HETATM 10404 O O . HOH FA 11 . ? -1.880 8.096 -27.339 1.00 27.81 ? 2098 HOH A O 1 HETATM 10405 O O . HOH FA 11 . ? -3.395 4.474 -29.905 1.00 30.31 ? 2099 HOH A O 1 HETATM 10406 O O . HOH FA 11 . ? -5.815 8.719 -20.411 1.00 24.70 ? 2100 HOH A O 1 HETATM 10407 O O . HOH FA 11 . ? -10.464 5.863 -25.596 1.00 32.62 ? 2101 HOH A O 1 HETATM 10408 O O . HOH FA 11 . ? -3.643 6.656 -14.874 1.00 27.78 ? 2102 HOH A O 1 HETATM 10409 O O . HOH FA 11 . ? -9.980 8.514 -18.197 1.00 28.82 ? 2103 HOH A O 1 HETATM 10410 O O . HOH FA 11 . ? -14.374 6.526 -17.872 1.00 30.98 ? 2104 HOH A O 1 HETATM 10411 O O . HOH FA 11 . ? -7.740 -6.385 -16.560 1.00 16.40 ? 2105 HOH A O 1 HETATM 10412 O O . HOH FA 11 . ? -9.562 -3.731 -12.651 1.00 25.71 ? 2106 HOH A O 1 HETATM 10413 O O . HOH FA 11 . ? -13.971 2.106 -11.963 1.00 19.87 ? 2107 HOH A O 1 HETATM 10414 O O . HOH FA 11 . ? -19.163 1.627 -16.104 1.00 30.60 ? 2108 HOH A O 1 HETATM 10415 O O . HOH FA 11 . ? -17.181 6.751 -17.445 1.00 44.82 ? 2109 HOH A O 1 HETATM 10416 O O . HOH FA 11 . ? -19.133 -1.036 -9.506 1.00 28.24 ? 2110 HOH A O 1 HETATM 10417 O O . HOH FA 11 . ? -16.515 -0.843 -8.646 1.00 34.23 ? 2111 HOH A O 1 HETATM 10418 O O . HOH FA 11 . ? -23.737 -5.323 -7.733 1.00 27.41 ? 2112 HOH A O 1 HETATM 10419 O O . HOH FA 11 . ? -21.163 -9.208 -2.620 1.00 43.68 ? 2113 HOH A O 1 HETATM 10420 O O . HOH FA 11 . ? -20.209 -2.554 -7.441 1.00 38.19 ? 2114 HOH A O 1 HETATM 10421 O O . HOH FA 11 . ? -17.973 -11.773 0.154 1.00 43.79 ? 2115 HOH A O 1 HETATM 10422 O O . HOH FA 11 . ? -15.478 -12.244 -1.312 1.00 21.74 ? 2116 HOH A O 1 HETATM 10423 O O . HOH FA 11 . ? -9.255 -7.435 -5.236 1.00 20.50 ? 2117 HOH A O 1 HETATM 10424 O O . HOH FA 11 . ? -10.604 -7.730 -2.359 1.00 24.91 ? 2118 HOH A O 1 HETATM 10425 O O . HOH FA 11 . ? -11.358 -14.541 -2.641 1.00 21.28 ? 2119 HOH A O 1 HETATM 10426 O O . HOH FA 11 . ? -6.449 -15.336 -10.005 1.00 20.94 ? 2120 HOH A O 1 HETATM 10427 O O . HOH FA 11 . ? -13.559 -11.809 -14.810 1.00 26.52 ? 2121 HOH A O 1 HETATM 10428 O O . HOH FA 11 . ? -7.965 -18.659 -2.807 1.00 25.69 ? 2122 HOH A O 1 HETATM 10429 O O . HOH FA 11 . ? -10.396 -12.329 -0.984 1.00 37.19 ? 2123 HOH A O 1 HETATM 10430 O O . HOH FA 11 . ? -14.111 -19.687 -7.649 1.00 34.78 ? 2124 HOH A O 1 HETATM 10431 O O . HOH FA 11 . ? -8.388 -24.638 -8.127 1.00 35.88 ? 2125 HOH A O 1 HETATM 10432 O O . HOH FA 11 . ? 19.919 -20.131 -2.244 1.00 35.22 ? 2126 HOH A O 1 HETATM 10433 O O . HOH FA 11 . ? 29.121 -22.020 -4.803 1.00 37.04 ? 2127 HOH A O 1 HETATM 10434 O O . HOH FA 11 . ? -8.302 -26.501 -3.929 1.00 34.20 ? 2128 HOH A O 1 HETATM 10435 O O . HOH FA 11 . ? -1.700 -21.079 -1.447 1.00 43.07 ? 2129 HOH A O 1 HETATM 10436 O O . HOH FA 11 . ? -3.682 -23.980 -0.183 1.00 27.84 ? 2130 HOH A O 1 HETATM 10437 O O . HOH FA 11 . ? -3.822 -14.620 3.021 1.00 36.31 ? 2131 HOH A O 1 HETATM 10438 O O . HOH FA 11 . ? -5.629 -14.777 0.739 1.00 33.79 ? 2132 HOH A O 1 HETATM 10439 O O . HOH FA 11 . ? 0.354 -11.438 -1.652 1.00 30.80 ? 2133 HOH A O 1 HETATM 10440 O O . HOH FA 11 . ? -1.227 -9.458 -1.718 1.00 37.15 ? 2134 HOH A O 1 HETATM 10441 O O . HOH FA 11 . ? 17.833 10.858 -6.297 1.00 36.28 ? 2135 HOH A O 1 HETATM 10442 O O . HOH FA 11 . ? 4.100 -20.035 0.971 1.00 23.69 ? 2136 HOH A O 1 HETATM 10443 O O . HOH FA 11 . ? 3.330 -19.933 3.624 1.00 33.32 ? 2137 HOH A O 1 HETATM 10444 O O . HOH FA 11 . ? 6.142 -7.773 -0.761 1.00 33.20 ? 2138 HOH A O 1 HETATM 10445 O O . HOH FA 11 . ? 9.664 -16.241 3.756 1.00 42.48 ? 2139 HOH A O 1 HETATM 10446 O O . HOH FA 11 . ? 11.948 -7.245 -5.296 1.00 18.70 ? 2140 HOH A O 1 HETATM 10447 O O . HOH FA 11 . ? 13.280 -11.293 1.869 1.00 30.49 ? 2141 HOH A O 1 HETATM 10448 O O . HOH FA 11 . ? 16.157 -17.058 0.044 1.00 33.78 ? 2142 HOH A O 1 HETATM 10449 O O . HOH FA 11 . ? 8.846 -22.020 0.034 1.00 25.60 ? 2143 HOH A O 1 HETATM 10450 O O . HOH FA 11 . ? 14.622 -19.573 1.577 1.00 36.18 ? 2144 HOH A O 1 HETATM 10451 O O . HOH FA 11 . ? 6.696 -20.735 1.375 1.00 34.49 ? 2145 HOH A O 1 HETATM 10452 O O . HOH FA 11 . ? 8.732 -6.908 -1.105 1.00 33.55 ? 2146 HOH A O 1 HETATM 10453 O O . HOH FA 11 . ? 20.846 -13.938 -2.534 1.00 32.83 ? 2147 HOH A O 1 HETATM 10454 O O . HOH FA 11 . ? 20.830 -14.017 -7.321 1.00 28.49 ? 2148 HOH A O 1 HETATM 10455 O O . HOH FA 11 . ? 12.297 -7.193 -13.216 1.00 19.03 ? 2149 HOH A O 1 HETATM 10456 O O . HOH FA 11 . ? 19.839 -4.314 -6.274 1.00 20.96 ? 2150 HOH A O 1 HETATM 10457 O O . HOH FA 11 . ? 25.707 -9.343 -2.444 1.00 25.55 ? 2151 HOH A O 1 HETATM 10458 O O . HOH FA 11 . ? 22.227 -13.981 -4.780 1.00 20.15 ? 2152 HOH A O 1 HETATM 10459 O O . HOH FA 11 . ? 22.113 -11.103 -0.532 1.00 38.62 ? 2153 HOH A O 1 HETATM 10460 O O . HOH FA 11 . ? 24.636 -2.127 -8.971 1.00 26.04 ? 2154 HOH A O 1 HETATM 10461 O O . HOH FA 11 . ? 30.981 0.803 -13.713 1.00 33.63 ? 2155 HOH A O 1 HETATM 10462 O O . HOH FA 11 . ? 33.212 -4.665 -13.715 1.00 44.17 ? 2156 HOH A O 1 HETATM 10463 O O . HOH FA 11 . ? 32.997 -8.247 -18.886 1.00 36.06 ? 2157 HOH A O 1 HETATM 10464 O O . HOH FA 11 . ? 29.858 -2.827 -24.797 1.00 45.19 ? 2158 HOH A O 1 HETATM 10465 O O . HOH FA 11 . ? 20.110 -2.293 -23.017 1.00 21.12 ? 2159 HOH A O 1 HETATM 10466 O O . HOH FA 11 . ? 23.963 8.438 -11.549 1.00 44.00 ? 2160 HOH A O 1 HETATM 10467 O O . HOH FA 11 . ? 25.729 6.157 -10.762 1.00 37.47 ? 2161 HOH A O 1 HETATM 10468 O O . HOH FA 11 . ? 21.679 11.193 -13.933 1.00 39.26 ? 2162 HOH A O 1 HETATM 10469 O O . HOH FA 11 . ? 20.030 3.035 -12.565 1.00 16.81 ? 2163 HOH A O 1 HETATM 10470 O O . HOH FA 11 . ? 25.658 -0.319 -6.459 1.00 26.38 ? 2164 HOH A O 1 HETATM 10471 O O . HOH FA 11 . ? 13.308 -2.948 -20.617 1.00 21.64 ? 2165 HOH A O 1 HETATM 10472 O O . HOH FA 11 . ? 14.831 -9.392 -22.569 1.00 19.59 ? 2166 HOH A O 1 HETATM 10473 O O . HOH FA 11 . ? 7.768 -10.092 -23.027 1.00 33.58 ? 2167 HOH A O 1 HETATM 10474 O O . HOH FA 11 . ? 8.320 -9.794 -25.762 1.00 38.14 ? 2168 HOH A O 1 HETATM 10475 O O . HOH FA 11 . ? 9.395 -6.288 -25.673 1.00 29.48 ? 2169 HOH A O 1 HETATM 10476 O O . HOH FA 11 . ? 8.823 -13.130 -19.897 1.00 38.93 ? 2170 HOH A O 1 HETATM 10477 O O . HOH FA 11 . ? 12.021 -14.667 -21.822 1.00 30.77 ? 2171 HOH A O 1 HETATM 10478 O O . HOH FA 11 . ? 19.513 -14.733 -24.276 1.00 30.68 ? 2172 HOH A O 1 HETATM 10479 O O . HOH FA 11 . ? 16.357 -15.115 -27.690 1.00 31.27 ? 2173 HOH A O 1 HETATM 10480 O O . HOH FA 11 . ? 17.420 -16.109 -25.437 1.00 36.93 ? 2174 HOH A O 1 HETATM 10481 O O . HOH FA 11 . ? 15.616 -12.859 -27.376 1.00 20.56 ? 2175 HOH A O 1 HETATM 10482 O O . HOH FA 11 . ? 12.074 -12.005 -24.428 1.00 40.09 ? 2176 HOH A O 1 HETATM 10483 O O . HOH FA 11 . ? 16.707 -12.583 -29.502 1.00 40.00 ? 2177 HOH A O 1 HETATM 10484 O O . HOH FA 11 . ? 11.077 -10.066 -26.492 1.00 35.93 ? 2178 HOH A O 1 HETATM 10485 O O . HOH FA 11 . ? 27.243 -17.826 -23.166 1.00 22.48 ? 2179 HOH A O 1 HETATM 10486 O O . HOH FA 11 . ? 35.377 -15.908 -20.522 1.00 38.81 ? 2180 HOH A O 1 HETATM 10487 O O . HOH FA 11 . ? 36.964 -23.298 -17.851 1.00 31.80 ? 2181 HOH A O 1 HETATM 10488 O O . HOH FA 11 . ? 28.817 -20.903 -21.753 1.00 24.93 ? 2182 HOH A O 1 HETATM 10489 O O . HOH FA 11 . ? 25.279 -13.907 -26.513 1.00 39.70 ? 2183 HOH A O 1 HETATM 10490 O O . HOH FA 11 . ? 22.653 -15.517 -30.348 1.00 26.13 ? 2184 HOH A O 1 HETATM 10491 O O . HOH FA 11 . ? 21.050 -21.959 -22.846 1.00 31.53 ? 2185 HOH A O 1 HETATM 10492 O O . HOH FA 11 . ? 23.893 -18.622 -31.402 1.00 39.26 ? 2186 HOH A O 1 HETATM 10493 O O . HOH FA 11 . ? 22.751 -13.095 -26.152 1.00 30.33 ? 2187 HOH A O 1 HETATM 10494 O O . HOH FA 11 . ? 20.404 -18.135 -43.991 1.00 45.46 ? 2188 HOH A O 1 HETATM 10495 O O . HOH FA 11 . ? 25.240 -24.419 -37.718 1.00 40.88 ? 2189 HOH A O 1 HETATM 10496 O O . HOH FA 11 . ? 19.477 -27.624 -35.830 1.00 26.56 ? 2190 HOH A O 1 HETATM 10497 O O . HOH FA 11 . ? 15.122 -17.739 -40.341 1.00 39.42 ? 2191 HOH A O 1 HETATM 10498 O O . HOH FA 11 . ? 8.887 -18.339 -39.788 1.00 24.39 ? 2192 HOH A O 1 HETATM 10499 O O . HOH FA 11 . ? 7.317 -33.299 -34.604 1.00 18.20 ? 2193 HOH A O 1 HETATM 10500 O O . HOH FA 11 . ? 5.252 -28.816 -40.269 1.00 29.61 ? 2194 HOH A O 1 HETATM 10501 O O . HOH FA 11 . ? 1.944 -34.468 -36.119 1.00 37.63 ? 2195 HOH A O 1 HETATM 10502 O O . HOH FA 11 . ? 12.717 -32.384 -30.422 1.00 20.55 ? 2196 HOH A O 1 HETATM 10503 O O . HOH FA 11 . ? 11.845 -29.425 -28.396 1.00 19.58 ? 2197 HOH A O 1 HETATM 10504 O O . HOH FA 11 . ? 9.182 -38.190 -30.480 1.00 26.41 ? 2198 HOH A O 1 HETATM 10505 O O . HOH FA 11 . ? 12.537 -38.981 -29.251 1.00 25.71 ? 2199 HOH A O 1 HETATM 10506 O O . HOH FA 11 . ? 13.323 -38.569 -32.148 1.00 25.14 ? 2200 HOH A O 1 HETATM 10507 O O . HOH FA 11 . ? 6.739 -35.764 -33.273 1.00 25.38 ? 2201 HOH A O 1 HETATM 10508 O O . HOH FA 11 . ? 10.766 -41.874 -26.539 1.00 22.45 ? 2202 HOH A O 1 HETATM 10509 O O . HOH FA 11 . ? 4.890 -42.517 -20.988 1.00 34.29 ? 2203 HOH A O 1 HETATM 10510 O O . HOH FA 11 . ? -0.346 -39.445 -24.260 1.00 27.27 ? 2204 HOH A O 1 HETATM 10511 O O . HOH FA 11 . ? 2.805 -40.198 -28.631 1.00 32.25 ? 2205 HOH A O 1 HETATM 10512 O O . HOH FA 11 . ? -4.494 -37.049 -26.835 1.00 38.86 ? 2206 HOH A O 1 HETATM 10513 O O . HOH FA 11 . ? -2.968 -35.685 -31.457 1.00 32.85 ? 2207 HOH A O 1 HETATM 10514 O O . HOH FA 11 . ? -1.057 -34.120 -37.175 1.00 26.25 ? 2208 HOH A O 1 HETATM 10515 O O . HOH FA 11 . ? -8.438 -26.915 -35.264 1.00 24.41 ? 2209 HOH A O 1 HETATM 10516 O O . HOH FA 11 . ? -8.001 -33.379 -33.153 1.00 37.78 ? 2210 HOH A O 1 HETATM 10517 O O . HOH FA 11 . ? -12.150 -32.192 -37.628 1.00 36.70 ? 2211 HOH A O 1 HETATM 10518 O O . HOH FA 11 . ? 0.222 -19.996 -40.104 1.00 36.74 ? 2212 HOH A O 1 HETATM 10519 O O . HOH FA 11 . ? -0.341 -16.656 -41.031 1.00 34.71 ? 2213 HOH A O 1 HETATM 10520 O O . HOH FA 11 . ? 5.468 -13.934 -37.459 1.00 21.69 ? 2214 HOH A O 1 HETATM 10521 O O . HOH FA 11 . ? 4.680 -6.472 -39.319 1.00 43.30 ? 2215 HOH A O 1 HETATM 10522 O O . HOH FA 11 . ? -4.166 -13.878 -28.109 1.00 23.66 ? 2216 HOH A O 1 HETATM 10523 O O . HOH FA 11 . ? -10.247 -21.936 -25.650 1.00 26.33 ? 2217 HOH A O 1 HETATM 10524 O O . HOH FA 11 . ? -11.583 -28.777 -28.749 1.00 23.91 ? 2218 HOH A O 1 HETATM 10525 O O . HOH FA 11 . ? -12.353 -29.883 -25.838 1.00 23.12 ? 2219 HOH A O 1 HETATM 10526 O O . HOH FA 11 . ? -10.086 -30.230 -24.131 1.00 23.15 ? 2220 HOH A O 1 HETATM 10527 O O . HOH FA 11 . ? -9.668 -26.046 -22.022 1.00 22.21 ? 2221 HOH A O 1 HETATM 10528 O O . HOH FA 11 . ? -10.002 -23.905 -19.207 1.00 42.53 ? 2222 HOH A O 1 HETATM 10529 O O . HOH FA 11 . ? -11.231 -21.668 -39.045 1.00 50.71 ? 2223 HOH A O 1 HETATM 10530 O O . HOH FA 11 . ? -13.058 -22.011 -36.773 1.00 49.30 ? 2224 HOH A O 1 HETATM 10531 O O . HOH FA 11 . ? 8.535 -16.023 -38.436 1.00 28.59 ? 2225 HOH A O 1 HETATM 10532 O O . HOH FA 11 . ? 11.138 -11.794 -28.135 1.00 31.38 ? 2226 HOH A O 1 HETATM 10533 O O . HOH FA 11 . ? 12.085 -13.702 -36.898 1.00 26.74 ? 2227 HOH A O 1 HETATM 10534 O O . HOH FA 11 . ? 5.078 -14.306 -29.153 1.00 26.34 ? 2228 HOH A O 1 HETATM 10535 O O . HOH FA 11 . ? 13.182 -21.613 -21.122 1.00 34.43 ? 2229 HOH A O 1 HETATM 10536 O O . HOH FA 11 . ? 2.170 -24.378 -20.846 1.00 15.39 ? 2230 HOH A O 1 HETATM 10537 O O . HOH FA 11 . ? -4.514 -31.156 -13.617 1.00 19.59 ? 2231 HOH A O 1 HETATM 10538 O O . HOH FA 11 . ? -9.517 -37.083 -21.851 1.00 31.64 ? 2232 HOH A O 1 HETATM 10539 O O . HOH FA 11 . ? -15.233 -23.616 -18.866 1.00 46.62 ? 2233 HOH A O 1 HETATM 10540 O O . HOH FA 11 . ? -7.256 -23.539 -15.323 1.00 21.77 ? 2234 HOH A O 1 HETATM 10541 O O . HOH FA 11 . ? -8.272 -23.963 -12.934 1.00 30.65 ? 2235 HOH A O 1 HETATM 10542 O O . HOH FA 11 . ? 4.567 -20.076 -17.168 1.00 25.76 ? 2236 HOH A O 1 HETATM 10543 O O . HOH FA 11 . ? -3.224 -17.145 -19.499 1.00 23.64 ? 2237 HOH A O 1 HETATM 10544 O O . HOH FA 11 . ? 10.894 -22.427 -19.322 1.00 24.98 ? 2238 HOH A O 1 HETATM 10545 O O . HOH FA 11 . ? 12.163 -30.584 -17.949 1.00 20.94 ? 2239 HOH A O 1 HETATM 10546 O O . HOH FA 11 . ? 17.351 -26.162 -17.186 1.00 18.79 ? 2240 HOH A O 1 HETATM 10547 O O . HOH FA 11 . ? 23.519 -29.269 -19.963 1.00 24.58 ? 2241 HOH A O 1 HETATM 10548 O O . HOH FA 11 . ? 24.293 -33.666 -25.990 1.00 37.25 ? 2242 HOH A O 1 HETATM 10549 O O . HOH FA 11 . ? 20.851 -34.605 -18.147 1.00 38.43 ? 2243 HOH A O 1 HETATM 10550 O O . HOH FA 11 . ? 14.032 -30.682 -28.675 1.00 21.69 ? 2244 HOH A O 1 HETATM 10551 O O . HOH FA 11 . ? 24.932 -29.219 -32.235 1.00 37.44 ? 2245 HOH A O 1 HETATM 10552 O O . HOH FA 11 . ? 28.927 -26.985 -16.817 1.00 36.33 ? 2246 HOH A O 1 HETATM 10553 O O . HOH FA 11 . ? 30.828 -27.947 -13.424 1.00 42.82 ? 2247 HOH A O 1 HETATM 10554 O O . HOH FA 11 . ? 29.448 -23.152 -11.466 1.00 27.65 ? 2248 HOH A O 1 HETATM 10555 O O . HOH FA 11 . ? 25.047 -26.098 -17.414 1.00 24.58 ? 2249 HOH A O 1 HETATM 10556 O O . HOH FA 11 . ? 29.353 -25.933 -11.720 1.00 27.79 ? 2250 HOH A O 1 HETATM 10557 O O . HOH FA 11 . ? 17.349 -17.336 -21.005 1.00 45.74 ? 2251 HOH A O 1 HETATM 10558 O O . HOH FA 11 . ? 10.651 -15.206 -19.079 1.00 27.61 ? 2252 HOH A O 1 HETATM 10559 O O . HOH FA 11 . ? 10.554 -17.865 -18.990 1.00 23.18 ? 2253 HOH A O 1 HETATM 10560 O O . HOH FA 11 . ? 0.294 -10.738 -10.086 1.00 21.84 ? 2254 HOH A O 1 HETATM 10561 O O . HOH FA 11 . ? -5.818 -12.603 -9.718 1.00 16.10 ? 2255 HOH A O 1 HETATM 10562 O O . HOH FA 11 . ? -3.563 -1.272 -6.811 1.00 24.47 ? 2256 HOH A O 1 HETATM 10563 O O . HOH FA 11 . ? -3.408 -5.417 -3.893 1.00 32.86 ? 2257 HOH A O 1 HETATM 10564 O O . HOH FA 11 . ? 2.778 -4.414 -2.325 1.00 36.98 ? 2258 HOH A O 1 HETATM 10565 O O . HOH FA 11 . ? -10.570 1.477 -8.545 1.00 18.75 ? 2259 HOH A O 1 HETATM 10566 O O . HOH FA 11 . ? -14.789 -2.574 -4.864 1.00 34.24 ? 2260 HOH A O 1 HETATM 10567 O O . HOH FA 11 . ? -6.855 -3.647 -1.985 1.00 38.09 ? 2261 HOH A O 1 HETATM 10568 O O . HOH FA 11 . ? -11.901 4.057 -4.781 1.00 32.29 ? 2262 HOH A O 1 HETATM 10569 O O . HOH FA 11 . ? -6.635 3.584 -0.400 1.00 40.03 ? 2263 HOH A O 1 HETATM 10570 O O . HOH FA 11 . ? -4.082 3.966 -3.475 1.00 31.74 ? 2264 HOH A O 1 HETATM 10571 O O . HOH FA 11 . ? -2.713 3.703 2.097 1.00 40.36 ? 2265 HOH A O 1 HETATM 10572 O O . HOH FA 11 . ? -10.640 8.694 -9.110 1.00 23.30 ? 2266 HOH A O 1 HETATM 10573 O O . HOH FA 11 . ? -2.056 10.021 -8.804 1.00 25.44 ? 2267 HOH A O 1 HETATM 10574 O O . HOH FA 11 . ? -4.810 12.218 -10.106 1.00 29.60 ? 2268 HOH A O 1 HETATM 10575 O O . HOH FA 11 . ? -9.963 10.033 -6.105 1.00 46.02 ? 2269 HOH A O 1 HETATM 10576 O O . HOH FA 11 . ? -6.068 10.158 -0.771 1.00 29.70 ? 2270 HOH A O 1 HETATM 10577 O O . HOH FA 11 . ? -3.927 10.584 -4.297 1.00 21.76 ? 2271 HOH A O 1 HETATM 10578 O O . HOH FA 11 . ? -7.715 7.809 -0.363 1.00 40.02 ? 2272 HOH A O 1 HETATM 10579 O O . HOH FA 11 . ? -1.244 2.628 -14.912 1.00 20.03 ? 2273 HOH A O 1 HETATM 10580 O O . HOH FA 11 . ? -11.334 2.001 -11.247 1.00 19.66 ? 2274 HOH A O 1 HETATM 10581 O O . HOH FA 11 . ? 4.617 6.318 -7.756 1.00 22.74 ? 2275 HOH A O 1 HETATM 10582 O O . HOH FA 11 . ? 7.423 4.818 -7.608 1.00 28.81 ? 2276 HOH A O 1 HETATM 10583 O O . HOH FA 11 . ? 6.573 -1.511 1.251 1.00 24.49 ? 2277 HOH A O 1 HETATM 10584 O O . HOH FA 11 . ? 10.050 5.426 -10.307 1.00 31.59 ? 2278 HOH A O 1 HETATM 10585 O O . HOH FA 11 . ? 11.764 -1.829 -2.619 1.00 27.13 ? 2279 HOH A O 1 HETATM 10586 O O . HOH FA 11 . ? 5.747 -5.422 1.269 1.00 38.26 ? 2280 HOH A O 1 HETATM 10587 O O . HOH FA 11 . ? 11.873 9.932 -16.145 1.00 43.61 ? 2281 HOH A O 1 HETATM 10588 O O . HOH FA 11 . ? 10.006 13.517 -19.194 1.00 32.86 ? 2282 HOH A O 1 HETATM 10589 O O . HOH FA 11 . ? 3.841 13.601 -12.880 1.00 25.88 ? 2283 HOH A O 1 HETATM 10590 O O . HOH FA 11 . ? 4.971 -10.518 -23.176 1.00 31.24 ? 2284 HOH A O 1 HETATM 10591 O O . HOH FA 11 . ? -3.817 -14.600 -18.347 1.00 19.16 ? 2285 HOH A O 1 HETATM 10592 O O . HOH FA 11 . ? -9.327 -12.107 -22.860 1.00 35.29 ? 2286 HOH A O 1 HETATM 10593 O O . HOH FA 11 . ? -8.733 -15.241 -18.800 1.00 33.77 ? 2287 HOH A O 1 HETATM 10594 O O . HOH FA 11 . ? 10.085 -24.013 -6.714 1.00 15.86 ? 2288 HOH A O 1 HETATM 10595 O O . HOH FA 11 . ? 9.635 -30.979 -6.362 1.00 22.15 ? 2289 HOH A O 1 HETATM 10596 O O . HOH FA 11 . ? 8.319 -29.580 -4.413 1.00 21.74 ? 2290 HOH A O 1 HETATM 10597 O O . HOH FA 11 . ? 17.795 -28.669 -16.253 1.00 20.37 ? 2291 HOH A O 1 HETATM 10598 O O . HOH FA 11 . ? 15.276 -34.190 -8.775 1.00 25.32 ? 2292 HOH A O 1 HETATM 10599 O O . HOH FA 11 . ? 9.709 -37.682 -8.546 1.00 28.92 ? 2293 HOH A O 1 HETATM 10600 O O . HOH FA 11 . ? 10.156 -40.400 -8.621 1.00 32.28 ? 2294 HOH A O 1 HETATM 10601 O O . HOH FA 11 . ? 6.235 -42.637 -14.164 1.00 24.40 ? 2295 HOH A O 1 HETATM 10602 O O . HOH FA 11 . ? 17.579 -39.568 -16.835 1.00 47.10 ? 2296 HOH A O 1 HETATM 10603 O O . HOH FA 11 . ? 13.734 -42.085 -17.878 1.00 29.03 ? 2297 HOH A O 1 HETATM 10604 O O . HOH FA 11 . ? 21.966 -39.327 -13.969 1.00 34.65 ? 2298 HOH A O 1 HETATM 10605 O O . HOH FA 11 . ? 20.516 -35.984 -7.568 1.00 48.63 ? 2299 HOH A O 1 HETATM 10606 O O . HOH FA 11 . ? 21.014 -27.171 -9.515 1.00 34.80 ? 2300 HOH A O 1 HETATM 10607 O O . HOH FA 11 . ? 20.873 -29.936 -7.938 1.00 30.73 ? 2301 HOH A O 1 HETATM 10608 O O . HOH FA 11 . ? 22.719 -27.168 -17.918 1.00 26.49 ? 2302 HOH A O 1 HETATM 10609 O O . HOH FA 11 . ? 16.901 -35.654 -31.361 1.00 34.48 ? 2303 HOH A O 1 HETATM 10610 O O . HOH FA 11 . ? 12.328 -43.096 -25.008 1.00 18.60 ? 2304 HOH A O 1 HETATM 10611 O O . HOH FA 11 . ? 18.268 -41.331 -26.694 1.00 41.47 ? 2305 HOH A O 1 HETATM 10612 O O . HOH FA 11 . ? 11.960 -43.537 -18.867 1.00 26.06 ? 2306 HOH A O 1 HETATM 10613 O O . HOH FA 11 . ? 0.324 -42.087 -17.036 1.00 36.14 ? 2307 HOH A O 1 HETATM 10614 O O . HOH FA 11 . ? 1.629 -37.070 -11.352 1.00 34.46 ? 2308 HOH A O 1 HETATM 10615 O O . HOH FA 11 . ? -5.037 -38.435 -14.065 1.00 30.03 ? 2309 HOH A O 1 HETATM 10616 O O . HOH FA 11 . ? -7.376 -32.112 -10.734 1.00 26.05 ? 2310 HOH A O 1 HETATM 10617 O O . HOH FA 11 . ? -0.649 -36.049 -9.847 1.00 34.88 ? 2311 HOH A O 1 HETATM 10618 O O . HOH FA 11 . ? 9.637 -33.829 -5.895 1.00 34.36 ? 2312 HOH A O 1 HETATM 10619 O O . HOH FA 11 . ? -0.356 -27.767 3.601 1.00 48.52 ? 2313 HOH A O 1 HETATM 10620 O O . HOH FA 11 . ? 0.656 -23.117 -1.319 1.00 20.59 ? 2314 HOH A O 1 HETATM 10621 O O . HOH FA 11 . ? 5.991 -24.695 1.111 1.00 32.62 ? 2315 HOH A O 1 HETATM 10622 O O . HOH FA 11 . ? 3.005 -22.235 -0.143 1.00 26.19 ? 2316 HOH A O 1 HETATM 10623 O O . HOH FA 11 . ? 9.898 -29.121 -2.225 1.00 39.55 ? 2317 HOH A O 1 HETATM 10624 O O . HOH FA 11 . ? 19.300 -20.044 -4.961 1.00 19.34 ? 2318 HOH A O 1 HETATM 10625 O O . HOH FA 11 . ? 22.891 -24.354 -8.885 1.00 18.50 ? 2319 HOH A O 1 HETATM 10626 O O . HOH FA 11 . ? 23.711 -26.674 -7.752 1.00 32.48 ? 2320 HOH A O 1 HETATM 10627 O O . HOH FA 11 . ? 20.613 -25.999 -2.452 1.00 50.99 ? 2321 HOH A O 1 HETATM 10628 O O . HOH FA 11 . ? 29.094 -20.659 -7.056 1.00 29.43 ? 2322 HOH A O 1 HETATM 10629 O O . HOH FA 11 . ? 20.100 -16.475 -8.338 1.00 22.28 ? 2323 HOH A O 1 HETATM 10630 O O . HOH FA 11 . ? 32.672 -15.248 -7.141 1.00 41.40 ? 2324 HOH A O 1 HETATM 10631 O O . HOH FA 11 . ? 31.118 -18.841 -6.588 1.00 29.97 ? 2325 HOH A O 1 HETATM 10632 O O . HOH FA 11 . ? 31.913 -9.172 -11.276 1.00 35.86 ? 2326 HOH A O 1 HETATM 10633 O O . HOH FA 11 . ? 28.367 -6.387 -9.300 1.00 24.05 ? 2327 HOH A O 1 HETATM 10634 O O . HOH FA 11 . ? 23.712 -2.963 0.009 1.00 37.69 ? 2328 HOH A O 1 HETATM 10635 O O . HOH FA 11 . ? 15.830 -0.671 -2.422 1.00 26.39 ? 2329 HOH A O 1 HETATM 10636 O O . HOH FA 11 . ? 11.604 1.216 -3.482 1.00 23.50 ? 2330 HOH A O 1 HETATM 10637 O O . HOH FA 11 . ? 16.510 1.124 -0.252 1.00 36.09 ? 2331 HOH A O 1 HETATM 10638 O O . HOH FA 11 . ? 16.322 9.373 -4.213 1.00 27.96 ? 2332 HOH A O 1 HETATM 10639 O O . HOH FA 11 . ? 22.668 11.653 -4.791 1.00 42.42 ? 2333 HOH A O 1 HETATM 10640 O O . HOH FA 11 . ? 9.895 6.655 -6.990 1.00 33.46 ? 2334 HOH A O 1 HETATM 10641 O O . HOH FA 11 . ? 12.431 6.379 -9.445 1.00 28.15 ? 2335 HOH A O 1 HETATM 10642 O O . HOH FA 11 . ? 11.031 11.388 -1.549 1.00 22.40 ? 2336 HOH A O 1 HETATM 10643 O O . HOH FA 11 . ? 13.419 16.248 -5.930 1.00 40.29 ? 2337 HOH A O 1 HETATM 10644 O O . HOH FA 11 . ? 18.510 12.726 -13.673 1.00 39.17 ? 2338 HOH A O 1 HETATM 10645 O O . HOH FA 11 . ? 22.811 13.490 -25.388 1.00 40.14 ? 2339 HOH A O 1 HETATM 10646 O O . HOH FA 11 . ? -9.650 -16.487 -23.157 1.00 32.12 ? 2340 HOH A O 1 HETATM 10647 O O . HOH FA 11 . ? 0.922 -2.113 -1.734 1.00 33.55 ? 2341 HOH A O 1 HETATM 10648 O O . HOH FA 11 . ? -2.467 2.303 -1.563 1.00 33.02 ? 2342 HOH A O 1 HETATM 10649 O O . HOH FA 11 . ? 4.186 1.753 5.815 1.00 24.34 ? 2343 HOH A O 1 HETATM 10650 O O . HOH FA 11 . ? 31.589 -9.331 -14.155 1.00 33.95 ? 2344 HOH A O 1 HETATM 10651 O O . HOH GA 11 . ? -1.161 -9.351 46.583 1.00 33.90 ? 2001 HOH B O 1 HETATM 10652 O O . HOH GA 11 . ? -8.715 -15.076 46.946 1.00 33.98 ? 2002 HOH B O 1 HETATM 10653 O O . HOH GA 11 . ? -12.700 -20.712 44.707 1.00 37.36 ? 2003 HOH B O 1 HETATM 10654 O O . HOH GA 11 . ? -14.286 -17.832 46.399 1.00 40.74 ? 2004 HOH B O 1 HETATM 10655 O O . HOH GA 11 . ? -17.824 -10.348 40.166 1.00 34.37 ? 2005 HOH B O 1 HETATM 10656 O O . HOH GA 11 . ? 14.838 10.690 38.458 1.00 34.15 ? 2006 HOH B O 1 HETATM 10657 O O . HOH GA 11 . ? -0.535 -5.281 46.738 1.00 39.12 ? 2007 HOH B O 1 HETATM 10658 O O . HOH GA 11 . ? 1.260 -4.400 34.937 1.00 41.34 ? 2008 HOH B O 1 HETATM 10659 O O . HOH GA 11 . ? -11.020 -3.257 40.567 1.00 39.35 ? 2009 HOH B O 1 HETATM 10660 O O . HOH GA 11 . ? 10.845 8.010 40.327 1.00 31.56 ? 2010 HOH B O 1 HETATM 10661 O O . HOH GA 11 . ? 10.142 6.095 33.773 1.00 38.33 ? 2011 HOH B O 1 HETATM 10662 O O . HOH GA 11 . ? -4.441 -10.970 20.970 1.00 43.93 ? 2012 HOH B O 1 HETATM 10663 O O . HOH GA 11 . ? 14.925 10.878 35.569 1.00 21.35 ? 2013 HOH B O 1 HETATM 10664 O O . HOH GA 11 . ? 6.819 7.449 29.748 1.00 43.69 ? 2014 HOH B O 1 HETATM 10665 O O . HOH GA 11 . ? 10.146 20.145 37.562 1.00 42.63 ? 2015 HOH B O 1 HETATM 10666 O O . HOH GA 11 . ? 15.258 17.237 36.688 1.00 30.79 ? 2016 HOH B O 1 HETATM 10667 O O . HOH GA 11 . ? 17.764 11.100 26.797 1.00 32.99 ? 2017 HOH B O 1 HETATM 10668 O O . HOH GA 11 . ? 9.444 7.155 25.058 1.00 31.10 ? 2018 HOH B O 1 HETATM 10669 O O . HOH GA 11 . ? 10.935 11.287 26.747 1.00 26.18 ? 2019 HOH B O 1 HETATM 10670 O O . HOH GA 11 . ? 7.841 13.643 26.383 1.00 21.07 ? 2020 HOH B O 1 HETATM 10671 O O . HOH GA 11 . ? 12.811 18.982 36.579 1.00 39.80 ? 2021 HOH B O 1 HETATM 10672 O O . HOH GA 11 . ? 9.823 20.461 20.009 1.00 29.44 ? 2022 HOH B O 1 HETATM 10673 O O . HOH GA 11 . ? 5.907 21.118 17.313 1.00 36.42 ? 2023 HOH B O 1 HETATM 10674 O O . HOH GA 11 . ? 24.032 13.528 33.466 1.00 36.05 ? 2024 HOH B O 1 HETATM 10675 O O . HOH GA 11 . ? 24.049 14.713 29.967 1.00 39.49 ? 2025 HOH B O 1 HETATM 10676 O O . HOH GA 11 . ? 21.738 14.178 27.595 1.00 40.52 ? 2026 HOH B O 1 HETATM 10677 O O . HOH GA 11 . ? 10.065 30.274 23.524 1.00 35.39 ? 2027 HOH B O 1 HETATM 10678 O O . HOH GA 11 . ? 3.408 23.769 15.452 1.00 30.90 ? 2028 HOH B O 1 HETATM 10679 O O . HOH GA 11 . ? 15.300 5.743 39.114 1.00 34.71 ? 2029 HOH B O 1 HETATM 10680 O O . HOH GA 11 . ? 12.886 9.342 27.313 1.00 39.80 ? 2030 HOH B O 1 HETATM 10681 O O . HOH GA 11 . ? 13.525 4.694 28.666 1.00 34.60 ? 2031 HOH B O 1 HETATM 10682 O O . HOH GA 11 . ? 16.535 -0.076 31.597 1.00 32.12 ? 2032 HOH B O 1 HETATM 10683 O O . HOH GA 11 . ? 18.568 0.679 29.898 1.00 30.61 ? 2033 HOH B O 1 HETATM 10684 O O . HOH GA 11 . ? 15.524 -0.837 38.198 1.00 29.05 ? 2034 HOH B O 1 HETATM 10685 O O . HOH GA 11 . ? 8.527 0.013 31.633 1.00 34.10 ? 2035 HOH B O 1 HETATM 10686 O O . HOH GA 11 . ? 20.630 4.935 7.803 1.00 34.92 ? 2036 HOH B O 1 HETATM 10687 O O . HOH GA 11 . ? 1.201 -7.058 33.693 1.00 33.70 ? 2037 HOH B O 1 HETATM 10688 O O . HOH GA 11 . ? -5.271 -11.368 23.320 1.00 50.18 ? 2038 HOH B O 1 HETATM 10689 O O . HOH GA 11 . ? 2.346 -5.015 30.816 1.00 51.40 ? 2039 HOH B O 1 HETATM 10690 O O . HOH GA 11 . ? 4.067 36.132 32.922 1.00 52.48 ? 2040 HOH B O 1 HETATM 10691 O O . HOH GA 11 . ? 18.848 -11.274 29.955 1.00 34.93 ? 2041 HOH B O 1 HETATM 10692 O O . HOH GA 11 . ? -8.535 22.669 43.042 1.00 34.96 ? 2042 HOH B O 1 HETATM 10693 O O . HOH GA 11 . ? -8.679 18.257 42.149 1.00 38.31 ? 2043 HOH B O 1 HETATM 10694 O O . HOH GA 11 . ? 11.345 7.493 22.945 1.00 30.40 ? 2044 HOH B O 1 HETATM 10695 O O . HOH GA 11 . ? 11.736 13.967 22.209 1.00 21.14 ? 2045 HOH B O 1 HETATM 10696 O O . HOH GA 11 . ? 19.876 15.590 18.106 1.00 33.05 ? 2046 HOH B O 1 HETATM 10697 O O . HOH GA 11 . ? 2.577 23.445 18.278 1.00 34.66 ? 2047 HOH B O 1 HETATM 10698 O O . HOH GA 11 . ? 13.079 19.430 19.411 1.00 29.64 ? 2048 HOH B O 1 HETATM 10699 O O . HOH GA 11 . ? 5.768 17.376 15.940 1.00 29.44 ? 2049 HOH B O 1 HETATM 10700 O O . HOH GA 11 . ? 7.543 18.644 18.116 1.00 20.59 ? 2050 HOH B O 1 HETATM 10701 O O . HOH GA 11 . ? 15.756 21.209 24.287 1.00 35.89 ? 2051 HOH B O 1 HETATM 10702 O O . HOH GA 11 . ? 10.329 18.250 21.652 1.00 20.46 ? 2052 HOH B O 1 HETATM 10703 O O . HOH GA 11 . ? 14.960 21.235 18.524 1.00 31.59 ? 2053 HOH B O 1 HETATM 10704 O O . HOH GA 11 . ? 21.543 18.532 15.594 1.00 33.19 ? 2054 HOH B O 1 HETATM 10705 O O . HOH GA 11 . ? 12.523 22.699 20.248 1.00 28.38 ? 2055 HOH B O 1 HETATM 10706 O O . HOH GA 11 . ? 5.308 25.724 21.684 1.00 24.53 ? 2056 HOH B O 1 HETATM 10707 O O . HOH GA 11 . ? 8.749 27.874 22.933 1.00 26.77 ? 2057 HOH B O 1 HETATM 10708 O O . HOH GA 11 . ? 6.899 22.111 20.563 1.00 33.66 ? 2058 HOH B O 1 HETATM 10709 O O . HOH GA 11 . ? 11.763 32.560 17.368 1.00 34.72 ? 2059 HOH B O 1 HETATM 10710 O O . HOH GA 11 . ? 4.597 26.443 12.292 1.00 17.93 ? 2060 HOH B O 1 HETATM 10711 O O . HOH GA 11 . ? 6.067 23.084 15.156 1.00 32.46 ? 2061 HOH B O 1 HETATM 10712 O O . HOH GA 11 . ? 9.358 32.480 22.210 1.00 33.75 ? 2062 HOH B O 1 HETATM 10713 O O . HOH GA 11 . ? 5.151 27.494 5.511 1.00 21.20 ? 2063 HOH B O 1 HETATM 10714 O O . HOH GA 11 . ? 4.837 30.245 5.032 1.00 31.54 ? 2064 HOH B O 1 HETATM 10715 O O . HOH GA 11 . ? 12.020 35.083 6.293 1.00 28.33 ? 2065 HOH B O 1 HETATM 10716 O O . HOH GA 11 . ? 9.041 36.508 4.674 1.00 36.87 ? 2066 HOH B O 1 HETATM 10717 O O . HOH GA 11 . ? 1.951 36.679 3.982 1.00 46.20 ? 2067 HOH B O 1 HETATM 10718 O O . HOH GA 11 . ? 10.334 33.531 -2.025 1.00 41.54 ? 2068 HOH B O 1 HETATM 10719 O O . HOH GA 11 . ? 12.633 23.653 -3.694 1.00 28.62 ? 2069 HOH B O 1 HETATM 10720 O O . HOH GA 11 . ? 19.286 23.167 5.655 1.00 35.09 ? 2070 HOH B O 1 HETATM 10721 O O . HOH GA 11 . ? 11.051 -5.605 8.932 1.00 36.16 ? 2071 HOH B O 1 HETATM 10722 O O . HOH GA 11 . ? 6.174 19.155 5.661 1.00 19.27 ? 2072 HOH B O 1 HETATM 10723 O O . HOH GA 11 . ? 19.894 20.718 -0.769 1.00 34.82 ? 2073 HOH B O 1 HETATM 10724 O O . HOH GA 11 . ? 18.939 17.269 1.997 1.00 28.76 ? 2074 HOH B O 1 HETATM 10725 O O . HOH GA 11 . ? 20.395 19.882 9.343 1.00 32.25 ? 2075 HOH B O 1 HETATM 10726 O O . HOH GA 11 . ? 15.644 12.788 7.257 1.00 18.86 ? 2076 HOH B O 1 HETATM 10727 O O . HOH GA 11 . ? 8.183 14.627 5.969 1.00 27.49 ? 2077 HOH B O 1 HETATM 10728 O O . HOH GA 11 . ? 8.135 14.811 8.820 1.00 32.74 ? 2078 HOH B O 1 HETATM 10729 O O . HOH GA 11 . ? 21.949 14.934 10.304 1.00 29.84 ? 2079 HOH B O 1 HETATM 10730 O O . HOH GA 11 . ? 21.069 19.483 6.343 1.00 33.47 ? 2080 HOH B O 1 HETATM 10731 O O . HOH GA 11 . ? 19.957 7.505 8.338 1.00 34.99 ? 2081 HOH B O 1 HETATM 10732 O O . HOH GA 11 . ? 22.315 7.580 15.261 1.00 31.11 ? 2082 HOH B O 1 HETATM 10733 O O . HOH GA 11 . ? 14.667 5.841 5.481 1.00 31.88 ? 2083 HOH B O 1 HETATM 10734 O O . HOH GA 11 . ? 19.978 2.845 9.284 1.00 38.38 ? 2084 HOH B O 1 HETATM 10735 O O . HOH GA 11 . ? 7.078 5.229 16.727 1.00 17.52 ? 2085 HOH B O 1 HETATM 10736 O O . HOH GA 11 . ? 7.452 0.975 13.943 1.00 31.78 ? 2086 HOH B O 1 HETATM 10737 O O . HOH GA 11 . ? 13.356 -3.461 12.390 1.00 28.46 ? 2087 HOH B O 1 HETATM 10738 O O . HOH GA 11 . ? 16.697 -4.829 17.847 1.00 38.67 ? 2088 HOH B O 1 HETATM 10739 O O . HOH GA 11 . ? 20.664 -2.246 13.392 1.00 53.61 ? 2089 HOH B O 1 HETATM 10740 O O . HOH GA 11 . ? 10.964 -8.885 15.942 1.00 31.38 ? 2090 HOH B O 1 HETATM 10741 O O . HOH GA 11 . ? 9.810 -7.371 13.655 1.00 38.03 ? 2091 HOH B O 1 HETATM 10742 O O . HOH GA 11 . ? -3.189 -9.776 16.273 1.00 28.33 ? 2092 HOH B O 1 HETATM 10743 O O . HOH GA 11 . ? 2.358 -8.834 11.159 1.00 31.29 ? 2093 HOH B O 1 HETATM 10744 O O . HOH GA 11 . ? 0.616 -3.275 12.026 1.00 26.48 ? 2094 HOH B O 1 HETATM 10745 O O . HOH GA 11 . ? -0.749 -6.009 11.492 1.00 32.11 ? 2095 HOH B O 1 HETATM 10746 O O . HOH GA 11 . ? -3.823 2.765 18.237 1.00 29.44 ? 2096 HOH B O 1 HETATM 10747 O O . HOH GA 11 . ? -10.123 -2.474 17.152 1.00 36.78 ? 2097 HOH B O 1 HETATM 10748 O O . HOH GA 11 . ? -0.987 -3.930 9.629 1.00 41.85 ? 2098 HOH B O 1 HETATM 10749 O O . HOH GA 11 . ? -5.770 -4.699 23.829 1.00 41.74 ? 2099 HOH B O 1 HETATM 10750 O O . HOH GA 11 . ? -17.077 -0.197 16.561 1.00 37.54 ? 2100 HOH B O 1 HETATM 10751 O O . HOH GA 11 . ? -7.849 2.358 7.415 1.00 30.74 ? 2101 HOH B O 1 HETATM 10752 O O . HOH GA 11 . ? -5.586 0.804 7.586 1.00 43.66 ? 2102 HOH B O 1 HETATM 10753 O O . HOH GA 11 . ? -16.943 4.500 9.470 1.00 28.97 ? 2103 HOH B O 1 HETATM 10754 O O . HOH GA 11 . ? -7.522 5.768 1.436 1.00 34.48 ? 2104 HOH B O 1 HETATM 10755 O O . HOH GA 11 . ? -6.533 13.134 0.467 1.00 23.87 ? 2105 HOH B O 1 HETATM 10756 O O . HOH GA 11 . ? -19.873 8.658 8.760 1.00 37.03 ? 2106 HOH B O 1 HETATM 10757 O O . HOH GA 11 . ? -18.631 6.228 7.866 1.00 49.38 ? 2107 HOH B O 1 HETATM 10758 O O . HOH GA 11 . ? -13.718 21.955 1.025 1.00 29.40 ? 2108 HOH B O 1 HETATM 10759 O O . HOH GA 11 . ? -2.405 18.220 4.783 1.00 25.34 ? 2109 HOH B O 1 HETATM 10760 O O . HOH GA 11 . ? -6.489 19.414 -4.998 1.00 28.23 ? 2110 HOH B O 1 HETATM 10761 O O . HOH GA 11 . ? -15.454 21.464 -1.192 1.00 41.68 ? 2111 HOH B O 1 HETATM 10762 O O . HOH GA 11 . ? -4.927 24.552 -7.647 1.00 24.95 ? 2112 HOH B O 1 HETATM 10763 O O . HOH GA 11 . ? -6.824 31.039 -3.623 1.00 29.41 ? 2113 HOH B O 1 HETATM 10764 O O . HOH GA 11 . ? -3.305 29.866 -14.222 1.00 48.36 ? 2114 HOH B O 1 HETATM 10765 O O . HOH GA 11 . ? -8.562 34.771 -7.261 1.00 35.55 ? 2115 HOH B O 1 HETATM 10766 O O . HOH GA 11 . ? -0.095 37.919 2.797 1.00 34.37 ? 2116 HOH B O 1 HETATM 10767 O O . HOH GA 11 . ? 4.024 29.957 2.273 1.00 23.78 ? 2117 HOH B O 1 HETATM 10768 O O . HOH GA 11 . ? 1.694 25.359 -12.888 1.00 34.53 ? 2118 HOH B O 1 HETATM 10769 O O . HOH GA 11 . ? 2.463 22.572 -6.592 1.00 23.13 ? 2119 HOH B O 1 HETATM 10770 O O . HOH GA 11 . ? 0.664 21.584 -14.686 1.00 33.10 ? 2120 HOH B O 1 HETATM 10771 O O . HOH GA 11 . ? -5.488 23.443 -10.971 1.00 29.21 ? 2121 HOH B O 1 HETATM 10772 O O . HOH GA 11 . ? 4.361 23.303 5.327 1.00 19.22 ? 2122 HOH B O 1 HETATM 10773 O O . HOH GA 11 . ? -0.062 26.414 9.779 1.00 21.77 ? 2123 HOH B O 1 HETATM 10774 O O . HOH GA 11 . ? 0.417 24.470 12.221 1.00 28.54 ? 2124 HOH B O 1 HETATM 10775 O O . HOH GA 11 . ? 2.110 21.467 14.354 1.00 25.96 ? 2125 HOH B O 1 HETATM 10776 O O . HOH GA 11 . ? 5.898 23.892 12.576 1.00 22.24 ? 2126 HOH B O 1 HETATM 10777 O O . HOH GA 11 . ? -2.261 20.571 13.737 1.00 33.04 ? 2127 HOH B O 1 HETATM 10778 O O . HOH GA 11 . ? -4.931 21.694 13.640 1.00 29.99 ? 2128 HOH B O 1 HETATM 10779 O O . HOH GA 11 . ? 0.109 26.058 13.814 1.00 10.39 ? 2129 HOH B O 1 HETATM 10780 O O . HOH GA 11 . ? -0.182 24.850 15.473 1.00 30.31 ? 2130 HOH B O 1 HETATM 10781 O O . HOH GA 11 . ? -1.407 33.958 8.888 1.00 28.28 ? 2131 HOH B O 1 HETATM 10782 O O . HOH GA 11 . ? -0.316 32.546 11.999 1.00 33.22 ? 2132 HOH B O 1 HETATM 10783 O O . HOH GA 11 . ? 2.555 26.018 14.036 1.00 29.78 ? 2133 HOH B O 1 HETATM 10784 O O . HOH GA 11 . ? -9.820 37.411 9.004 1.00 31.41 ? 2134 HOH B O 1 HETATM 10785 O O . HOH GA 11 . ? -7.212 32.808 -1.506 1.00 22.14 ? 2135 HOH B O 1 HETATM 10786 O O . HOH GA 11 . ? -7.200 37.172 -0.872 1.00 33.35 ? 2136 HOH B O 1 HETATM 10787 O O . HOH GA 11 . ? -11.441 37.809 -2.677 1.00 22.84 ? 2137 HOH B O 1 HETATM 10788 O O . HOH GA 11 . ? -5.698 42.567 7.098 1.00 47.19 ? 2138 HOH B O 1 HETATM 10789 O O . HOH GA 11 . ? -13.059 38.544 9.165 1.00 34.31 ? 2139 HOH B O 1 HETATM 10790 O O . HOH GA 11 . ? -2.657 38.141 14.272 1.00 31.74 ? 2140 HOH B O 1 HETATM 10791 O O . HOH GA 11 . ? -1.817 31.229 15.717 1.00 35.21 ? 2141 HOH B O 1 HETATM 10792 O O . HOH GA 11 . ? 0.841 43.081 18.162 1.00 38.59 ? 2142 HOH B O 1 HETATM 10793 O O . HOH GA 11 . ? -8.016 41.238 17.332 1.00 38.68 ? 2143 HOH B O 1 HETATM 10794 O O . HOH GA 11 . ? -8.631 40.177 26.475 1.00 31.09 ? 2144 HOH B O 1 HETATM 10795 O O . HOH GA 11 . ? 2.478 41.282 29.359 1.00 31.18 ? 2145 HOH B O 1 HETATM 10796 O O . HOH GA 11 . ? 3.262 38.699 25.122 1.00 37.37 ? 2146 HOH B O 1 HETATM 10797 O O . HOH GA 11 . ? 4.552 33.678 28.390 1.00 28.71 ? 2147 HOH B O 1 HETATM 10798 O O . HOH GA 11 . ? 3.372 33.335 32.156 1.00 26.31 ? 2148 HOH B O 1 HETATM 10799 O O . HOH GA 11 . ? -9.238 30.622 35.827 1.00 20.33 ? 2149 HOH B O 1 HETATM 10800 O O . HOH GA 11 . ? -7.334 27.022 39.972 1.00 37.73 ? 2150 HOH B O 1 HETATM 10801 O O . HOH GA 11 . ? -11.139 29.772 27.364 1.00 19.74 ? 2151 HOH B O 1 HETATM 10802 O O . HOH GA 11 . ? -12.508 31.971 30.167 1.00 24.19 ? 2152 HOH B O 1 HETATM 10803 O O . HOH GA 11 . ? -15.928 29.806 35.703 1.00 28.94 ? 2153 HOH B O 1 HETATM 10804 O O . HOH GA 11 . ? -16.988 33.760 34.884 1.00 34.25 ? 2154 HOH B O 1 HETATM 10805 O O . HOH GA 11 . ? -18.406 31.458 33.655 1.00 30.27 ? 2155 HOH B O 1 HETATM 10806 O O . HOH GA 11 . ? -11.817 29.296 36.986 1.00 26.43 ? 2156 HOH B O 1 HETATM 10807 O O . HOH GA 11 . ? -21.188 28.699 34.999 1.00 21.81 ? 2157 HOH B O 1 HETATM 10808 O O . HOH GA 11 . ? -16.509 18.495 38.261 1.00 45.95 ? 2158 HOH B O 1 HETATM 10809 O O . HOH GA 11 . ? -26.223 22.255 37.240 1.00 43.83 ? 2159 HOH B O 1 HETATM 10810 O O . HOH GA 11 . ? -15.255 20.279 40.377 1.00 48.53 ? 2160 HOH B O 1 HETATM 10811 O O . HOH GA 11 . ? -9.362 20.804 41.265 1.00 32.40 ? 2161 HOH B O 1 HETATM 10812 O O . HOH GA 11 . ? -5.498 25.897 42.334 1.00 25.68 ? 2162 HOH B O 1 HETATM 10813 O O . HOH GA 11 . ? 1.884 18.272 40.445 1.00 25.55 ? 2163 HOH B O 1 HETATM 10814 O O . HOH GA 11 . ? -4.812 17.667 43.508 1.00 32.15 ? 2164 HOH B O 1 HETATM 10815 O O . HOH GA 11 . ? -4.852 20.167 46.305 1.00 41.05 ? 2165 HOH B O 1 HETATM 10816 O O . HOH GA 11 . ? 6.325 27.548 34.021 1.00 31.70 ? 2166 HOH B O 1 HETATM 10817 O O . HOH GA 11 . ? 9.907 27.246 32.718 1.00 28.31 ? 2167 HOH B O 1 HETATM 10818 O O . HOH GA 11 . ? 7.917 29.138 26.120 1.00 20.12 ? 2168 HOH B O 1 HETATM 10819 O O . HOH GA 11 . ? 6.132 15.885 26.049 1.00 25.55 ? 2169 HOH B O 1 HETATM 10820 O O . HOH GA 11 . ? 4.007 21.089 21.063 1.00 22.16 ? 2170 HOH B O 1 HETATM 10821 O O . HOH GA 11 . ? 1.152 10.432 32.944 1.00 31.72 ? 2171 HOH B O 1 HETATM 10822 O O . HOH GA 11 . ? -4.430 9.456 39.214 1.00 25.10 ? 2172 HOH B O 1 HETATM 10823 O O . HOH GA 11 . ? -2.147 11.912 40.020 1.00 27.90 ? 2173 HOH B O 1 HETATM 10824 O O . HOH GA 11 . ? -6.466 10.404 37.313 1.00 26.74 ? 2174 HOH B O 1 HETATM 10825 O O . HOH GA 11 . ? -4.656 8.966 33.299 1.00 26.23 ? 2175 HOH B O 1 HETATM 10826 O O . HOH GA 11 . ? 2.707 10.331 45.639 1.00 37.32 ? 2176 HOH B O 1 HETATM 10827 O O . HOH GA 11 . ? -5.830 8.036 46.851 1.00 48.98 ? 2177 HOH B O 1 HETATM 10828 O O . HOH GA 11 . ? 5.691 32.437 26.369 1.00 25.94 ? 2178 HOH B O 1 HETATM 10829 O O . HOH GA 11 . ? 2.514 28.418 16.480 1.00 44.23 ? 2179 HOH B O 1 HETATM 10830 O O . HOH GA 11 . ? 3.843 35.053 19.633 1.00 31.55 ? 2180 HOH B O 1 HETATM 10831 O O . HOH GA 11 . ? 0.217 25.227 18.558 1.00 34.86 ? 2181 HOH B O 1 HETATM 10832 O O . HOH GA 11 . ? 3.347 23.645 22.127 1.00 32.74 ? 2182 HOH B O 1 HETATM 10833 O O . HOH GA 11 . ? -8.854 25.238 17.927 1.00 32.50 ? 2183 HOH B O 1 HETATM 10834 O O . HOH GA 11 . ? -7.910 17.029 25.337 1.00 15.64 ? 2184 HOH B O 1 HETATM 10835 O O . HOH GA 11 . ? -14.593 8.064 29.046 1.00 29.02 ? 2185 HOH B O 1 HETATM 10836 O O . HOH GA 11 . ? -13.107 9.959 39.871 1.00 43.51 ? 2186 HOH B O 1 HETATM 10837 O O . HOH GA 11 . ? -6.474 1.712 41.716 1.00 39.52 ? 2187 HOH B O 1 HETATM 10838 O O . HOH GA 11 . ? -2.444 2.470 33.331 1.00 45.20 ? 2188 HOH B O 1 HETATM 10839 O O . HOH GA 11 . ? -6.760 6.465 26.875 1.00 26.22 ? 2189 HOH B O 1 HETATM 10840 O O . HOH GA 11 . ? -7.615 16.332 19.146 1.00 21.89 ? 2190 HOH B O 1 HETATM 10841 O O . HOH GA 11 . ? -1.271 11.557 22.776 1.00 18.92 ? 2191 HOH B O 1 HETATM 10842 O O . HOH GA 11 . ? -10.295 22.843 18.455 1.00 23.93 ? 2192 HOH B O 1 HETATM 10843 O O . HOH GA 11 . ? -17.710 23.572 22.077 1.00 24.90 ? 2193 HOH B O 1 HETATM 10844 O O . HOH GA 11 . ? -16.467 26.869 16.181 1.00 25.40 ? 2194 HOH B O 1 HETATM 10845 O O . HOH GA 11 . ? -12.729 31.923 27.263 1.00 26.60 ? 2195 HOH B O 1 HETATM 10846 O O . HOH GA 11 . ? -20.691 36.147 9.870 1.00 36.00 ? 2196 HOH B O 1 HETATM 10847 O O . HOH GA 11 . ? -7.633 28.142 12.656 1.00 36.76 ? 2197 HOH B O 1 HETATM 10848 O O . HOH GA 11 . ? -6.837 21.811 15.654 1.00 23.96 ? 2198 HOH B O 1 HETATM 10849 O O . HOH GA 11 . ? -2.598 7.638 11.632 1.00 23.23 ? 2199 HOH B O 1 HETATM 10850 O O . HOH GA 11 . ? -2.136 2.837 15.948 1.00 23.77 ? 2200 HOH B O 1 HETATM 10851 O O . HOH GA 11 . ? 9.676 -3.064 9.161 1.00 18.42 ? 2201 HOH B O 1 HETATM 10852 O O . HOH GA 11 . ? 0.748 -3.772 6.906 1.00 41.98 ? 2202 HOH B O 1 HETATM 10853 O O . HOH GA 11 . ? 10.019 -6.780 6.501 1.00 32.00 ? 2203 HOH B O 1 HETATM 10854 O O . HOH GA 11 . ? 7.801 -6.566 2.921 1.00 34.05 ? 2204 HOH B O 1 HETATM 10855 O O . HOH GA 11 . ? 15.698 -3.318 4.790 1.00 30.80 ? 2205 HOH B O 1 HETATM 10856 O O . HOH GA 11 . ? 13.295 2.590 -0.985 1.00 28.40 ? 2206 HOH B O 1 HETATM 10857 O O . HOH GA 11 . ? 10.670 8.070 6.643 1.00 19.80 ? 2207 HOH B O 1 HETATM 10858 O O . HOH GA 11 . ? 11.766 -1.868 10.620 1.00 27.73 ? 2208 HOH B O 1 HETATM 10859 O O . HOH GA 11 . ? 7.373 7.255 -2.790 1.00 23.96 ? 2209 HOH B O 1 HETATM 10860 O O . HOH GA 11 . ? 5.350 9.714 -3.446 1.00 28.82 ? 2210 HOH B O 1 HETATM 10861 O O . HOH GA 11 . ? 6.264 13.042 -3.523 1.00 30.64 ? 2211 HOH B O 1 HETATM 10862 O O . HOH GA 11 . ? 12.137 18.526 -4.795 1.00 40.25 ? 2212 HOH B O 1 HETATM 10863 O O . HOH GA 11 . ? 18.528 16.548 -0.853 1.00 26.12 ? 2213 HOH B O 1 HETATM 10864 O O . HOH GA 11 . ? 2.978 19.345 16.274 1.00 23.97 ? 2214 HOH B O 1 HETATM 10865 O O . HOH GA 11 . ? 0.306 10.124 20.833 1.00 19.30 ? 2215 HOH B O 1 HETATM 10866 O O . HOH GA 11 . ? -17.963 14.369 12.744 1.00 29.89 ? 2216 HOH B O 1 HETATM 10867 O O . HOH GA 11 . ? -23.429 14.611 17.044 1.00 33.23 ? 2217 HOH B O 1 HETATM 10868 O O . HOH GA 11 . ? -19.054 26.790 16.944 1.00 31.22 ? 2218 HOH B O 1 HETATM 10869 O O . HOH GA 11 . ? -26.588 20.849 17.588 1.00 30.14 ? 2219 HOH B O 1 HETATM 10870 O O . HOH GA 11 . ? -24.838 15.933 11.484 1.00 50.99 ? 2220 HOH B O 1 HETATM 10871 O O . HOH GA 11 . ? -27.409 16.584 22.483 1.00 37.81 ? 2221 HOH B O 1 HETATM 10872 O O . HOH GA 11 . ? -26.914 17.697 30.361 1.00 32.48 ? 2222 HOH B O 1 HETATM 10873 O O . HOH GA 11 . ? -27.207 25.475 28.727 1.00 40.61 ? 2223 HOH B O 1 HETATM 10874 O O . HOH GA 11 . ? -22.431 25.214 10.497 1.00 36.03 ? 2224 HOH B O 1 HETATM 10875 O O . HOH GA 11 . ? -18.666 31.593 14.375 1.00 29.63 ? 2225 HOH B O 1 HETATM 10876 O O . HOH GA 11 . ? -16.484 36.057 30.238 1.00 36.75 ? 2226 HOH B O 1 HETATM 10877 O O . HOH GA 11 . ? -23.638 29.330 33.785 1.00 28.63 ? 2227 HOH B O 1 HETATM 10878 O O . HOH GA 11 . ? -16.242 4.427 29.482 1.00 29.16 ? 2228 HOH B O 1 HETATM 10879 O O . HOH GA 11 . ? -15.465 -1.365 22.873 1.00 43.57 ? 2229 HOH B O 1 HETATM 10880 O O . HOH GA 11 . ? -17.169 3.544 14.320 1.00 28.97 ? 2230 HOH B O 1 HETATM 10881 O O . HOH GA 11 . ? -18.100 4.559 11.777 1.00 36.54 ? 2231 HOH B O 1 HETATM 10882 O O . HOH GA 11 . ? -18.875 20.238 4.295 1.00 20.76 ? 2232 HOH B O 1 HETATM 10883 O O . HOH GA 11 . ? -21.068 25.910 7.266 1.00 34.01 ? 2233 HOH B O 1 HETATM 10884 O O . HOH GA 11 . ? -14.941 22.304 3.568 1.00 29.07 ? 2234 HOH B O 1 HETATM 10885 O O . HOH GA 11 . ? -21.212 30.026 -1.859 1.00 37.68 ? 2235 HOH B O 1 HETATM 10886 O O . HOH GA 11 . ? -9.224 28.391 -6.840 1.00 29.24 ? 2236 HOH B O 1 HETATM 10887 O O . HOH GA 11 . ? -10.636 18.185 -11.145 1.00 38.08 ? 2237 HOH B O 1 HETATM 10888 O O . HOH GA 11 . ? -4.438 13.392 -7.108 1.00 27.00 ? 2238 HOH B O 1 HETATM 10889 O O . HOH GA 11 . ? -1.145 10.620 -5.457 1.00 25.81 ? 2239 HOH B O 1 HETATM 10890 O O . HOH GA 11 . ? 5.383 10.836 -6.003 1.00 27.33 ? 2240 HOH B O 1 HETATM 10891 O O . HOH GA 11 . ? 5.835 14.473 -6.163 1.00 22.85 ? 2241 HOH B O 1 HETATM 10892 O O . HOH GA 11 . ? 5.595 7.760 -12.863 1.00 22.08 ? 2242 HOH B O 1 HETATM 10893 O O . HOH GA 11 . ? 10.193 12.753 -10.701 1.00 40.33 ? 2243 HOH B O 1 HETATM 10894 O O . HOH GA 11 . ? 10.357 21.429 -11.310 1.00 38.17 ? 2244 HOH B O 1 HETATM 10895 O O . HOH GA 11 . ? 9.325 17.288 -11.650 1.00 37.85 ? 2245 HOH B O 1 HETATM 10896 O O . HOH GA 11 . ? 8.914 12.214 -3.360 1.00 29.17 ? 2246 HOH B O 1 HETATM 10897 O O . HOH GA 11 . ? 18.668 19.014 -2.844 1.00 40.66 ? 2247 HOH B O 1 HETATM 10898 O O . HOH GA 11 . ? 2.175 39.488 33.758 1.00 34.57 ? 2248 HOH B O 1 HETATM 10899 O O . HOH GA 11 . ? 3.773 8.636 27.985 1.00 28.79 ? 2249 HOH B O 1 HETATM 10900 O O . HOH GA 11 . ? 3.254 9.731 31.411 1.00 40.81 ? 2250 HOH B 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 . LEU A 1 ? 0.3404 0.4046 0.4820 0.0160 -0.0571 -0.0639 1 LEU A N 2 C CA . LEU A 1 ? 0.3480 0.4129 0.4890 0.0148 -0.0559 -0.0640 1 LEU A CA 3 C C . LEU A 1 ? 0.3712 0.4370 0.5222 0.0162 -0.0609 -0.0682 1 LEU A C 4 O O . LEU A 1 ? 0.3576 0.4249 0.5216 0.0159 -0.0619 -0.0702 1 LEU A O 5 C CB . LEU A 1 ? 0.3300 0.3966 0.4750 0.0110 -0.0489 -0.0612 1 LEU A CB 6 C CG . LEU A 1 ? 0.3197 0.3871 0.4642 0.0093 -0.0464 -0.0604 1 LEU A CG 7 C CD1 . LEU A 1 ? 0.3253 0.3909 0.4553 0.0099 -0.0461 -0.0586 1 LEU A CD1 8 C CD2 . LEU A 1 ? 0.3020 0.3711 0.4522 0.0058 -0.0400 -0.0578 1 LEU A CD2 9 N N . ASP A 2 ? 0.3908 0.4557 0.5362 0.0177 -0.0639 -0.0697 2 ASP A N 10 C CA . ASP A 2 ? 0.4221 0.4878 0.5759 0.0192 -0.0689 -0.0741 2 ASP A CA 11 C C . ASP A 2 ? 0.4076 0.4758 0.5765 0.0165 -0.0661 -0.0747 2 ASP A C 12 O O . ASP A 2 ? 0.4041 0.4732 0.5728 0.0137 -0.0603 -0.0717 2 ASP A O 13 C CB . ASP A 2 ? 0.4751 0.5393 0.6192 0.0205 -0.0709 -0.0748 2 ASP A CB 14 C CG . ASP A 2 ? 0.5338 0.5980 0.6830 0.0232 -0.0777 -0.0799 2 ASP A CG 15 O OD1 . ASP A 2 ? 0.5566 0.6227 0.7174 0.0220 -0.0778 -0.0820 2 ASP A OD1 16 O OD2 . ASP A 2 ? 0.5850 0.6472 0.7266 0.0265 -0.0829 -0.0817 2 ASP A OD2 17 N N . PRO A 3 ? 0.3985 0.4680 0.5808 0.0175 -0.0701 -0.0785 3 PRO A N 18 C CA . PRO A 3 ? 0.3842 0.4560 0.5819 0.0151 -0.0671 -0.0791 3 PRO A CA 19 C C . PRO A 3 ? 0.3743 0.4468 0.5720 0.0133 -0.0641 -0.0782 3 PRO A C 20 O O . PRO A 3 ? 0.3646 0.4383 0.5690 0.0105 -0.0585 -0.0760 3 PRO A O 21 C CB . PRO A 3 ? 0.3889 0.4615 0.5989 0.0173 -0.0736 -0.0843 3 PRO A CB 22 C CG . PRO A 3 ? 0.3926 0.4637 0.5956 0.0201 -0.0782 -0.0850 3 PRO A CG 23 C CD . PRO A 3 ? 0.4049 0.4738 0.5893 0.0208 -0.0771 -0.0821 3 PRO A CD 24 N N . GLY A 4 ? 0.3838 0.4552 0.5738 0.0150 -0.0675 -0.0799 4 GLY A N 25 C CA . GLY A 4 ? 0.3951 0.4668 0.5836 0.0135 -0.0646 -0.0787 4 GLY A CA 26 C C . GLY A 4 ? 0.4069 0.4784 0.5875 0.0108 -0.0576 -0.0735 4 GLY A C 27 O O . GLY A 4 ? 0.4080 0.4805 0.5914 0.0088 -0.0538 -0.0719 4 GLY A O 28 N N . LEU A 5 ? 0.4076 0.4781 0.5789 0.0108 -0.0558 -0.0708 5 LEU A N 29 C CA . LEU A 5 ? 0.3925 0.4627 0.5545 0.0085 -0.0499 -0.0661 5 LEU A CA 30 C C . LEU A 5 ? 0.3849 0.4565 0.5531 0.0059 -0.0443 -0.0633 5 LEU A C 31 O O . LEU A 5 ? 0.3919 0.4634 0.5535 0.0039 -0.0393 -0.0595 5 LEU A O 32 C CB . LEU A 5 ? 0.4093 0.4773 0.5562 0.0102 -0.0511 -0.0647 5 LEU A CB 33 C CG . LEU A 5 ? 0.4196 0.4858 0.5570 0.0127 -0.0553 -0.0666 5 LEU A CG 34 C CD1 . LEU A 5 ? 0.4227 0.4865 0.5467 0.0146 -0.0565 -0.0653 5 LEU A CD1 35 C CD2 . LEU A 5 ? 0.4152 0.4816 0.5493 0.0113 -0.0526 -0.0652 5 LEU A CD2 36 N N . GLN A 6 ? 0.3580 0.4307 0.5390 0.0058 -0.0453 -0.0653 6 GLN A N 37 C CA . GLN A 6 ? 0.3404 0.4141 0.5280 0.0036 -0.0402 -0.0631 6 GLN A CA 38 C C . GLN A 6 ? 0.3201 0.3953 0.5172 0.0012 -0.0358 -0.0619 6 GLN A C 39 O O . GLN A 6 ? 0.3315 0.4072 0.5349 0.0017 -0.0381 -0.0642 6 GLN A O 40 C CB . GLN A 6 ? 0.3455 0.4195 0.5427 0.0048 -0.0433 -0.0658 6 GLN A CB 41 C CG . GLN A 6 ? 0.3496 0.4221 0.5381 0.0075 -0.0480 -0.0669 6 GLN A CG 42 C CD . GLN A 6 ? 0.3622 0.4351 0.5604 0.0086 -0.0507 -0.0693 6 GLN A CD 43 O OE1 . GLN A 6 ? 0.3729 0.4472 0.5840 0.0071 -0.0483 -0.0696 6 GLN A OE1 44 N NE2 . GLN A 6 ? 0.3556 0.4270 0.5477 0.0114 -0.0558 -0.0707 6 GLN A NE2 45 N N . PRO A 7 ? 0.3019 0.3778 0.4999 -0.0012 -0.0295 -0.0585 7 PRO A N 46 C CA . PRO A 7 ? 0.2993 0.3764 0.5064 -0.0034 -0.0249 -0.0570 7 PRO A CA 47 C C . PRO A 7 ? 0.2987 0.3768 0.5229 -0.0034 -0.0255 -0.0597 7 PRO A C 48 O O . PRO A 7 ? 0.3027 0.3809 0.5321 -0.0027 -0.0269 -0.0613 7 PRO A O 49 C CB . PRO A 7 ? 0.2928 0.3698 0.4944 -0.0057 -0.0184 -0.0527 7 PRO A CB 50 C CG . PRO A 7 ? 0.2837 0.3599 0.4801 -0.0048 -0.0197 -0.0531 7 PRO A CG 51 C CD . PRO A 7 ? 0.2912 0.3664 0.4808 -0.0022 -0.0261 -0.0556 7 PRO A CD 52 N N . GLY A 8 ? 0.2997 0.3786 0.5329 -0.0042 -0.0241 -0.0600 8 GLY A N 53 C CA . GLY A 8 ? 0.3043 0.3843 0.5550 -0.0045 -0.0236 -0.0621 8 GLY A CA 54 C C . GLY A 8 ? 0.3100 0.3904 0.5658 -0.0071 -0.0159 -0.0584 8 GLY A C 55 O O . GLY A 8 ? 0.3105 0.3904 0.5584 -0.0081 -0.0122 -0.0555 8 GLY A O 56 N N . GLN A 9 ? 0.3140 0.3952 0.5832 -0.0080 -0.0134 -0.0586 9 GLN A N 57 C CA . GLN A 9 ? 0.3300 0.4113 0.6043 -0.0102 -0.0058 -0.0550 9 GLN A CA 58 C C . GLN A 9 ? 0.3037 0.3850 0.5764 -0.0117 -0.0014 -0.0517 9 GLN A C 59 O O . GLN A 9 ? 0.3014 0.3830 0.5767 -0.0111 -0.0040 -0.0531 9 GLN A O 60 C CB . GLN A 9 ? 0.3375 0.4194 0.6298 -0.0104 -0.0046 -0.0571 9 GLN A CB 61 C CG . GLN A 9 ? 0.3757 0.4573 0.6687 -0.0108 -0.0026 -0.0568 9 GLN A CG 62 C CD . GLN A 9 ? 0.3841 0.4649 0.6625 -0.0122 0.0021 -0.0524 9 GLN A CD 63 O OE1 . GLN A 9 ? 0.3820 0.4625 0.6591 -0.0140 0.0086 -0.0487 9 GLN A OE1 64 N NE2 . GLN A 9 ? 0.3457 0.4259 0.6133 -0.0112 -0.0009 -0.0530 9 GLN A NE2 65 N N . PHE A 10 ? 0.2994 0.3803 0.5679 -0.0135 0.0053 -0.0473 10 PHE A N 66 C CA . PHE A 10 ? 0.2855 0.3663 0.5509 -0.0149 0.0100 -0.0433 10 PHE A CA 67 C C . PHE A 10 ? 0.2850 0.3653 0.5538 -0.0167 0.0174 -0.0398 10 PHE A C 68 O O . PHE A 10 ? 0.2797 0.3597 0.5469 -0.0170 0.0190 -0.0397 10 PHE A O 69 C CB . PHE A 10 ? 0.2919 0.3722 0.5396 -0.0149 0.0090 -0.0411 10 PHE A CB 70 C CG . PHE A 10 ? 0.2859 0.3663 0.5280 -0.0131 0.0019 -0.0444 10 PHE A CG 71 C CD1 . PHE A 10 ? 0.2930 0.3737 0.5377 -0.0123 -0.0010 -0.0459 10 PHE A CD1 72 C CD2 . PHE A 10 ? 0.2895 0.3694 0.5235 -0.0120 -0.0015 -0.0460 10 PHE A CD2 73 C CE1 . PHE A 10 ? 0.2854 0.3659 0.5243 -0.0104 -0.0073 -0.0491 10 PHE A CE1 74 C CE2 . PHE A 10 ? 0.2813 0.3609 0.5096 -0.0101 -0.0078 -0.0489 10 PHE A CE2 75 C CZ . PHE A 10 ? 0.2787 0.3585 0.5091 -0.0093 -0.0107 -0.0505 10 PHE A CZ 76 N N . SER A 11 ? 0.2759 0.3562 0.5496 -0.0177 0.0222 -0.0369 11 SER A N 77 C CA . SER A 11 ? 0.2902 0.3697 0.5668 -0.0193 0.0298 -0.0333 11 SER A CA 78 C C . SER A 11 ? 0.2872 0.3661 0.5474 -0.0203 0.0331 -0.0295 11 SER A C 79 O O . SER A 11 ? 0.2840 0.3630 0.5315 -0.0200 0.0307 -0.0285 11 SER A O 80 C CB . SER A 11 ? 0.2907 0.3701 0.5773 -0.0200 0.0340 -0.0311 11 SER A CB 81 O OG . SER A 11 ? 0.3087 0.3882 0.5872 -0.0199 0.0330 -0.0292 11 SER A OG 82 N N . ALA A 12 ? 0.2920 0.3702 0.5530 -0.0213 0.0387 -0.0275 12 ALA A N 83 C CA . ALA A 12 ? 0.2937 0.3712 0.5403 -0.0222 0.0420 -0.0244 12 ALA A CA 84 C C . ALA A 12 ? 0.2992 0.3761 0.5399 -0.0233 0.0474 -0.0195 12 ALA A C 85 O O . ALA A 12 ? 0.2935 0.3695 0.5326 -0.0243 0.0536 -0.0165 12 ALA A O 86 C CB . ALA A 12 ? 0.3000 0.3769 0.5502 -0.0227 0.0453 -0.0250 12 ALA A CB 87 N N . ASP A 13 ? 0.2933 0.3707 0.5309 -0.0229 0.0450 -0.0187 13 ASP A N 88 C CA . ASP A 13 ? 0.3145 0.3914 0.5468 -0.0237 0.0494 -0.0140 13 ASP A CA 89 C C . ASP A 13 ? 0.3085 0.3861 0.5332 -0.0231 0.0449 -0.0140 13 ASP A C 90 O O . ASP A 13 ? 0.3076 0.3859 0.5330 -0.0221 0.0389 -0.0176 13 ASP A O 91 C CB . ASP A 13 ? 0.3304 0.4068 0.5768 -0.0239 0.0539 -0.0125 13 ASP A CB 92 C CG . ASP A 13 ? 0.3489 0.4261 0.6096 -0.0230 0.0497 -0.0163 13 ASP A CG 93 O OD1 . ASP A 13 ? 0.3403 0.4184 0.5979 -0.0222 0.0437 -0.0187 13 ASP A OD1 94 O OD2 . ASP A 13 ? 0.3692 0.4461 0.6445 -0.0232 0.0526 -0.0169 13 ASP A OD2 95 N N . GLU A 14 ? 0.3072 0.3846 0.5249 -0.0236 0.0478 -0.0098 14 GLU A N 96 C CA . GLU A 14 ? 0.2956 0.3735 0.5050 -0.0232 0.0442 -0.0092 14 GLU A CA 97 C C . GLU A 14 ? 0.2829 0.3616 0.5013 -0.0222 0.0394 -0.0125 14 GLU A C 98 O O . GLU A 14 ? 0.2642 0.3434 0.4764 -0.0215 0.0343 -0.0145 14 GLU A O 99 C CB . GLU A 14 ? 0.3027 0.3803 0.5056 -0.0239 0.0484 -0.0041 14 GLU A CB 100 C CG . GLU A 14 ? 0.3023 0.3805 0.4951 -0.0236 0.0447 -0.0034 14 GLU A CG 101 C CD . GLU A 14 ? 0.3032 0.3811 0.4867 -0.0242 0.0482 0.0015 14 GLU A CD 102 O OE1 . GLU A 14 ? 0.2996 0.3767 0.4798 -0.0249 0.0532 0.0045 14 GLU A OE1 103 O OE2 . GLU A 14 ? 0.2992 0.3777 0.4786 -0.0239 0.0458 0.0023 14 GLU A OE2 104 N N . ALA A 15 ? 0.2863 0.3648 0.5192 -0.0222 0.0410 -0.0131 15 ALA A N 105 C CA . ALA A 15 ? 0.2942 0.3734 0.5367 -0.0212 0.0367 -0.0164 15 ALA A CA 106 C C . ALA A 15 ? 0.2956 0.3753 0.5398 -0.0201 0.0304 -0.0219 15 ALA A C 107 O O . ALA A 15 ? 0.2780 0.3582 0.5214 -0.0191 0.0252 -0.0246 15 ALA A O 108 C CB . ALA A 15 ? 0.2844 0.3634 0.5430 -0.0215 0.0403 -0.0159 15 ALA A CB 109 N N . GLY A 16 ? 0.2969 0.3764 0.5431 -0.0202 0.0312 -0.0233 16 GLY A N 110 C CA . GLY A 16 ? 0.3019 0.3818 0.5484 -0.0190 0.0255 -0.0279 16 GLY A CA 111 C C . GLY A 16 ? 0.2987 0.3785 0.5291 -0.0186 0.0221 -0.0279 16 GLY A C 112 O O . GLY A 16 ? 0.2877 0.3678 0.5158 -0.0173 0.0163 -0.0313 16 GLY A O 113 N N . ALA A 17 ? 0.2828 0.3623 0.5020 -0.0197 0.0260 -0.0239 17 ALA A N 114 C CA . ALA A 17 ? 0.2866 0.3660 0.4905 -0.0195 0.0237 -0.0232 17 ALA A CA 115 C C . ALA A 17 ? 0.2800 0.3597 0.4808 -0.0187 0.0196 -0.0241 17 ALA A C 116 O O . ALA A 17 ? 0.2739 0.3535 0.4659 -0.0178 0.0155 -0.0257 17 ALA A O 117 C CB . ALA A 17 ? 0.2833 0.3623 0.4773 -0.0209 0.0287 -0.0187 17 ALA A CB 118 N N . GLN A 18 ? 0.2742 0.3541 0.4822 -0.0189 0.0209 -0.0229 18 GLN A N 119 C CA . GLN A 18 ? 0.2727 0.3528 0.4786 -0.0181 0.0175 -0.0238 18 GLN A CA 120 C C . GLN A 18 ? 0.2579 0.3382 0.4689 -0.0165 0.0114 -0.0291 18 GLN A C 121 O O . GLN A 18 ? 0.2523 0.3325 0.4562 -0.0155 0.0074 -0.0305 18 GLN A O 122 C CB . GLN A 18 ? 0.2782 0.3586 0.4912 -0.0187 0.0206 -0.0212 18 GLN A CB 123 C CG . GLN A 18 ? 0.2911 0.3713 0.4968 -0.0200 0.0258 -0.0157 18 GLN A CG 124 C CD . GLN A 18 ? 0.3169 0.3971 0.5094 -0.0200 0.0242 -0.0139 18 GLN A CD 125 O OE1 . GLN A 18 ? 0.3117 0.3920 0.4985 -0.0191 0.0196 -0.0166 18 GLN A OE1 126 N NE2 . GLN A 18 ? 0.3089 0.3891 0.4966 -0.0209 0.0281 -0.0093 18 GLN A NE2 127 N N . LEU A 19 ? 0.2581 0.3386 0.4816 -0.0161 0.0107 -0.0319 19 LEU A N 128 C CA . LEU A 19 ? 0.2607 0.3414 0.4896 -0.0144 0.0046 -0.0372 19 LEU A CA 129 C C . LEU A 19 ? 0.2549 0.3350 0.4739 -0.0134 0.0010 -0.0391 19 LEU A C 130 O O . LEU A 19 ? 0.2259 0.3058 0.4411 -0.0118 -0.0043 -0.0422 19 LEU A O 131 C CB . LEU A 19 ? 0.2716 0.3527 0.5174 -0.0142 0.0050 -0.0397 19 LEU A CB 132 C CG . LEU A 19 ? 0.2862 0.3676 0.5448 -0.0148 0.0074 -0.0391 19 LEU A CG 133 C CD1 . LEU A 19 ? 0.2919 0.3736 0.5660 -0.0152 0.0100 -0.0401 19 LEU A CD1 134 C CD2 . LEU A 19 ? 0.2878 0.3695 0.5501 -0.0134 0.0022 -0.0428 19 LEU A CD2 135 N N . PHE A 20 ? 0.2558 0.3358 0.4710 -0.0143 0.0041 -0.0371 20 PHE A N 136 C CA . PHE A 20 ? 0.2663 0.3457 0.4708 -0.0136 0.0019 -0.0378 20 PHE A CA 137 C C . PHE A 20 ? 0.2932 0.3721 0.4841 -0.0131 -0.0002 -0.0370 20 PHE A C 138 O O . PHE A 20 ? 0.2843 0.3627 0.4704 -0.0115 -0.0050 -0.0398 20 PHE A O 139 C CB . PHE A 20 ? 0.2706 0.3498 0.4720 -0.0151 0.0069 -0.0350 20 PHE A CB 140 C CG . PHE A 20 ? 0.2690 0.3477 0.4603 -0.0146 0.0051 -0.0355 20 PHE A CG 141 C CD1 . PHE A 20 ? 0.2633 0.3418 0.4592 -0.0135 0.0023 -0.0386 20 PHE A CD1 142 C CD2 . PHE A 20 ? 0.2620 0.3404 0.4396 -0.0151 0.0063 -0.0329 20 PHE A CD2 143 C CE1 . PHE A 20 ? 0.2648 0.3427 0.4517 -0.0130 0.0009 -0.0389 20 PHE A CE1 144 C CE2 . PHE A 20 ? 0.2634 0.3411 0.4323 -0.0147 0.0050 -0.0334 20 PHE A CE2 145 C CZ . PHE A 20 ? 0.2604 0.3379 0.4337 -0.0136 0.0024 -0.0363 20 PHE A CZ 146 N N . ALA A 21 ? 0.2941 0.3731 0.4791 -0.0144 0.0034 -0.0331 21 ALA A N 147 C CA . ALA A 21 ? 0.3210 0.3996 0.4933 -0.0142 0.0020 -0.0319 21 ALA A CA 148 C C . ALA A 21 ? 0.3254 0.4038 0.4989 -0.0126 -0.0027 -0.0350 21 ALA A C 149 O O . ALA A 21 ? 0.3137 0.3914 0.4781 -0.0115 -0.0059 -0.0361 21 ALA A O 150 C CB . ALA A 21 ? 0.3149 0.3939 0.4826 -0.0158 0.0065 -0.0274 21 ALA A CB 151 N N . GLN A 22 ? 0.3531 0.4321 0.5381 -0.0124 -0.0032 -0.0364 22 GLN A N 152 C CA . GLN A 22 ? 0.3755 0.4542 0.5626 -0.0109 -0.0077 -0.0397 22 GLN A CA 153 C C . GLN A 22 ? 0.3675 0.4456 0.5538 -0.0089 -0.0132 -0.0441 22 GLN A C 154 O O . GLN A 22 ? 0.3628 0.4400 0.5417 -0.0074 -0.0169 -0.0459 22 GLN A O 155 C CB . GLN A 22 ? 0.4083 0.4878 0.6093 -0.0112 -0.0068 -0.0404 22 GLN A CB 156 C CG . GLN A 22 ? 0.4661 0.5453 0.6690 -0.0098 -0.0110 -0.0436 22 GLN A CG 157 C CD . GLN A 22 ? 0.4942 0.5742 0.7099 -0.0104 -0.0094 -0.0437 22 GLN A CD 158 O OE1 . GLN A 22 ? 0.4918 0.5724 0.7201 -0.0107 -0.0085 -0.0448 22 GLN A OE1 159 N NE2 . GLN A 22 ? 0.5065 0.5865 0.7197 -0.0106 -0.0090 -0.0424 22 GLN A NE2 160 N N . SER A 23 ? 0.3684 0.4467 0.5621 -0.0087 -0.0135 -0.0458 23 SER A N 161 C CA . SER A 23 ? 0.3523 0.4301 0.5466 -0.0067 -0.0187 -0.0499 23 SER A CA 162 C C . SER A 23 ? 0.3375 0.4142 0.5179 -0.0060 -0.0199 -0.0491 23 SER A C 163 O O . SER A 23 ? 0.3041 0.3798 0.4795 -0.0039 -0.0248 -0.0520 23 SER A O 164 C CB . SER A 23 ? 0.3663 0.4448 0.5734 -0.0070 -0.0181 -0.0513 23 SER A CB 165 O OG . SER A 23 ? 0.3903 0.4685 0.5979 -0.0051 -0.0230 -0.0550 23 SER A OG 166 N N . TYR A 24 ? 0.3347 0.4114 0.5089 -0.0076 -0.0154 -0.0453 24 TYR A N 167 C CA . TYR A 24 ? 0.3374 0.4132 0.4987 -0.0072 -0.0158 -0.0442 24 TYR A CA 168 C C . TYR A 24 ? 0.3439 0.4186 0.4950 -0.0061 -0.0184 -0.0445 24 TYR A C 169 O O . TYR A 24 ? 0.3383 0.4118 0.4822 -0.0044 -0.0217 -0.0461 24 TYR A O 170 C CB . TYR A 24 ? 0.3516 0.4278 0.5081 -0.0094 -0.0103 -0.0400 24 TYR A CB 171 C CG . TYR A 24 ? 0.3552 0.4304 0.4981 -0.0092 -0.0102 -0.0385 24 TYR A CG 172 C CD1 . TYR A 24 ? 0.3601 0.4346 0.4998 -0.0083 -0.0118 -0.0398 24 TYR A CD1 173 C CD2 . TYR A 24 ? 0.3651 0.4401 0.4989 -0.0100 -0.0084 -0.0359 24 TYR A CD2 174 C CE1 . TYR A 24 ? 0.3683 0.4418 0.4964 -0.0081 -0.0116 -0.0384 24 TYR A CE1 175 C CE2 . TYR A 24 ? 0.3642 0.4385 0.4866 -0.0099 -0.0082 -0.0346 24 TYR A CE2 176 C CZ . TYR A 24 ? 0.3704 0.4438 0.4900 -0.0090 -0.0097 -0.0359 24 TYR A CZ 177 O OH . TYR A 24 ? 0.3662 0.4387 0.4753 -0.0089 -0.0093 -0.0347 24 TYR A OH 178 N N . GLN A 25 ? 0.3562 0.4314 0.5070 -0.0070 -0.0166 -0.0428 25 GLN A N 179 C CA . GLN A 25 ? 0.3726 0.4469 0.5141 -0.0062 -0.0181 -0.0426 25 GLN A CA 180 C C . GLN A 25 ? 0.3781 0.4514 0.5205 -0.0038 -0.0235 -0.0468 25 GLN A C 181 O O . GLN A 25 ? 0.3910 0.4629 0.5239 -0.0024 -0.0257 -0.0475 25 GLN A O 182 C CB . GLN A 25 ? 0.3727 0.4478 0.5147 -0.0078 -0.0146 -0.0396 25 GLN A CB 183 C CG . GLN A 25 ? 0.3775 0.4532 0.5147 -0.0099 -0.0098 -0.0353 25 GLN A CG 184 C CD . GLN A 25 ? 0.4127 0.4893 0.5515 -0.0114 -0.0064 -0.0321 25 GLN A CD 185 O OE1 . GLN A 25 ? 0.4127 0.4902 0.5611 -0.0123 -0.0042 -0.0314 25 GLN A OE1 186 N NE2 . GLN A 25 ? 0.3996 0.4758 0.5292 -0.0117 -0.0056 -0.0301 25 GLN A NE2 187 N N . SER A 26 ? 0.3865 0.4604 0.5406 -0.0032 -0.0256 -0.0498 26 SER A N 188 C CA . SER A 26 ? 0.4193 0.4925 0.5755 -0.0008 -0.0311 -0.0543 26 SER A CA 189 C C . SER A 26 ? 0.4266 0.4984 0.5757 0.0012 -0.0349 -0.0563 26 SER A C 190 O O . SER A 26 ? 0.4492 0.5194 0.5909 0.0032 -0.0385 -0.0583 26 SER A O 191 C CB . SER A 26 ? 0.4168 0.4912 0.5884 -0.0008 -0.0323 -0.0571 26 SER A CB 192 O OG . SER A 26 ? 0.4477 0.5215 0.6216 0.0014 -0.0379 -0.0618 26 SER A OG 193 N N . SER A 27 ? 0.4327 0.5048 0.5838 0.0008 -0.0339 -0.0556 27 SER A N 194 C CA . SER A 27 ? 0.4363 0.5071 0.5812 0.0027 -0.0372 -0.0571 27 SER A CA 195 C C . SER A 27 ? 0.4172 0.4865 0.5477 0.0028 -0.0356 -0.0543 27 SER A C 196 O O . SER A 27 ? 0.4165 0.4840 0.5390 0.0050 -0.0390 -0.0558 27 SER A O 197 C CB . SER A 27 ? 0.4300 0.5017 0.5831 0.0022 -0.0366 -0.0575 27 SER A CB 198 O OG . SER A 27 ? 0.4596 0.5320 0.6245 0.0034 -0.0404 -0.0614 27 SER A OG 199 N N . ALA A 28 ? 0.3954 0.4655 0.5227 0.0004 -0.0305 -0.0504 28 ALA A N 200 C CA . ALA A 28 ? 0.3825 0.4514 0.4973 0.0002 -0.0286 -0.0477 28 ALA A CA 201 C C . ALA A 28 ? 0.3811 0.4481 0.4865 0.0020 -0.0311 -0.0486 28 ALA A C 202 O O . ALA A 28 ? 0.3753 0.4407 0.4709 0.0031 -0.0316 -0.0480 28 ALA A O 203 C CB . ALA A 28 ? 0.3588 0.4289 0.4724 -0.0025 -0.0231 -0.0437 28 ALA A CB 204 N N . GLU A 29 ? 0.3958 0.4631 0.5047 0.0024 -0.0325 -0.0502 29 GLU A N 205 C CA . GLU A 29 ? 0.3949 0.4605 0.4957 0.0040 -0.0345 -0.0512 29 GLU A CA 206 C C . GLU A 29 ? 0.3903 0.4536 0.4841 0.0071 -0.0388 -0.0537 29 GLU A C 207 O O . GLU A 29 ? 0.3804 0.4417 0.4633 0.0081 -0.0386 -0.0527 29 GLU A O 208 C CB . GLU A 29 ? 0.4227 0.4889 0.5303 0.0040 -0.0356 -0.0530 29 GLU A CB 209 C CG . GLU A 29 ? 0.4367 0.5016 0.5365 0.0047 -0.0356 -0.0528 29 GLU A CG 210 C CD . GLU A 29 ? 0.4596 0.5256 0.5667 0.0038 -0.0350 -0.0534 29 GLU A CD 211 O OE1 . GLU A 29 ? 0.4784 0.5459 0.5969 0.0035 -0.0361 -0.0554 29 GLU A OE1 212 O OE2 . GLU A 29 ? 0.4250 0.4906 0.5271 0.0033 -0.0332 -0.0518 29 GLU A OE2 213 N N . GLN A 30 ? 0.3963 0.4597 0.4964 0.0086 -0.0427 -0.0569 30 GLN A N 214 C CA . GLN A 30 ? 0.3856 0.4468 0.4796 0.0118 -0.0474 -0.0594 30 GLN A CA 215 C C . GLN A 30 ? 0.3613 0.4213 0.4475 0.0119 -0.0459 -0.0569 30 GLN A C 216 O O . GLN A 30 ? 0.3389 0.3965 0.4154 0.0143 -0.0479 -0.0573 30 GLN A O 217 C CB . GLN A 30 ? 0.4294 0.4913 0.5334 0.0132 -0.0520 -0.0633 30 GLN A CB 218 C CG . GLN A 30 ? 0.4772 0.5408 0.5925 0.0128 -0.0534 -0.0661 30 GLN A CG 219 C CD . GLN A 30 ? 0.5217 0.5859 0.6470 0.0143 -0.0583 -0.0702 30 GLN A CD 220 O OE1 . GLN A 30 ? 0.5337 0.5963 0.6545 0.0173 -0.0633 -0.0730 30 GLN A OE1 221 N NE2 . GLN A 30 ? 0.5268 0.5934 0.6657 0.0125 -0.0568 -0.0706 30 GLN A NE2 222 N N . VAL A 31 ? 0.3391 0.4008 0.4300 0.0096 -0.0423 -0.0546 31 VAL A N 223 C CA . VAL A 31 ? 0.3365 0.3974 0.4214 0.0095 -0.0405 -0.0523 31 VAL A CA 224 C C . VAL A 31 ? 0.3322 0.3918 0.4059 0.0089 -0.0374 -0.0494 31 VAL A C 225 O O . VAL A 31 ? 0.3318 0.3892 0.3964 0.0105 -0.0380 -0.0487 31 VAL A O 226 C CB . VAL A 31 ? 0.3303 0.3934 0.4235 0.0070 -0.0372 -0.0508 31 VAL A CB 227 C CG1 . VAL A 31 ? 0.3219 0.3842 0.4087 0.0066 -0.0349 -0.0484 31 VAL A CG1 228 C CG2 . VAL A 31 ? 0.3291 0.3932 0.4337 0.0078 -0.0405 -0.0539 31 VAL A CG2 229 N N . LEU A 32 ? 0.3232 0.3840 0.3978 0.0067 -0.0341 -0.0476 32 LEU A N 230 C CA . LEU A 32 ? 0.3250 0.3848 0.3902 0.0062 -0.0313 -0.0450 32 LEU A CA 231 C C . LEU A 32 ? 0.3199 0.3769 0.3764 0.0090 -0.0341 -0.0465 32 LEU A C 232 O O . LEU A 32 ? 0.3226 0.3777 0.3699 0.0098 -0.0331 -0.0450 32 LEU A O 233 C CB . LEU A 32 ? 0.3153 0.3770 0.3842 0.0037 -0.0281 -0.0433 32 LEU A CB 234 C CG . LEU A 32 ? 0.3280 0.3918 0.4017 0.0009 -0.0241 -0.0407 32 LEU A CG 235 C CD1 . LEU A 32 ? 0.3245 0.3903 0.4042 -0.0011 -0.0218 -0.0395 32 LEU A CD1 236 C CD2 . LEU A 32 ? 0.3240 0.3873 0.3897 0.0000 -0.0210 -0.0379 32 LEU A CD2 237 N N . PHE A 33 ? 0.3327 0.3893 0.3922 0.0106 -0.0378 -0.0497 33 PHE A N 238 C CA . PHE A 33 ? 0.3385 0.3923 0.3895 0.0136 -0.0407 -0.0514 33 PHE A CA 239 C C . PHE A 33 ? 0.3369 0.3882 0.3800 0.0162 -0.0427 -0.0516 33 PHE A C 240 O O . PHE A 33 ? 0.3155 0.3643 0.3483 0.0175 -0.0419 -0.0505 33 PHE A O 241 C CB . PHE A 33 ? 0.3529 0.4069 0.4092 0.0150 -0.0447 -0.0553 33 PHE A CB 242 C CG . PHE A 33 ? 0.3758 0.4266 0.4230 0.0184 -0.0481 -0.0575 33 PHE A CG 243 C CD1 . PHE A 33 ? 0.3750 0.4243 0.4150 0.0186 -0.0464 -0.0568 33 PHE A CD1 244 C CD2 . PHE A 33 ? 0.3929 0.4422 0.4384 0.0214 -0.0529 -0.0603 33 PHE A CD2 245 C CE1 . PHE A 33 ? 0.3888 0.4349 0.4197 0.0218 -0.0491 -0.0587 33 PHE A CE1 246 C CE2 . PHE A 33 ? 0.4012 0.4475 0.4373 0.0247 -0.0559 -0.0622 33 PHE A CE2 247 C CZ . PHE A 33 ? 0.4106 0.4551 0.4392 0.0249 -0.0538 -0.0614 33 PHE A CZ 248 N N . GLN A 34 ? 0.3311 0.3829 0.3791 0.0170 -0.0453 -0.0530 34 GLN A N 249 C CA . GLN A 34 ? 0.3326 0.3820 0.3737 0.0197 -0.0477 -0.0533 34 GLN A CA 250 C C . GLN A 34 ? 0.3165 0.3650 0.3508 0.0186 -0.0434 -0.0495 34 GLN A C 251 O O . GLN A 34 ? 0.3179 0.3636 0.3429 0.0208 -0.0439 -0.0487 34 GLN A O 252 C CB . GLN A 34 ? 0.3433 0.3936 0.3924 0.0207 -0.0516 -0.0557 34 GLN A CB 253 C CG . GLN A 34 ? 0.3518 0.4049 0.4104 0.0179 -0.0488 -0.0543 34 GLN A CG 254 C CD . GLN A 34 ? 0.3622 0.4145 0.4170 0.0179 -0.0470 -0.0520 34 GLN A CD 255 O OE1 . GLN A 34 ? 0.3789 0.4291 0.4288 0.0206 -0.0501 -0.0527 34 GLN A OE1 256 N NE2 . GLN A 34 ? 0.3508 0.4048 0.4080 0.0148 -0.0422 -0.0492 34 GLN A NE2 257 N N . SER A 35 ? 0.3077 0.3585 0.3468 0.0153 -0.0393 -0.0472 35 SER A N 258 C CA . SER A 35 ? 0.3190 0.3695 0.3529 0.0139 -0.0350 -0.0438 35 SER A CA 259 C C . SER A 35 ? 0.3070 0.3555 0.3313 0.0143 -0.0329 -0.0422 35 SER A C 260 O O . SER A 35 ? 0.3038 0.3498 0.3197 0.0158 -0.0321 -0.0409 35 SER A O 261 C CB . SER A 35 ? 0.3190 0.3725 0.3602 0.0103 -0.0312 -0.0421 35 SER A CB 262 O OG . SER A 35 ? 0.3568 0.4102 0.3930 0.0088 -0.0272 -0.0391 35 SER A OG 263 N N . VAL A 36 ? 0.2930 0.3424 0.3187 0.0132 -0.0320 -0.0424 36 VAL A N 264 C CA . VAL A 36 ? 0.2909 0.3385 0.3085 0.0134 -0.0298 -0.0409 36 VAL A CA 265 C C . VAL A 36 ? 0.2977 0.3417 0.3065 0.0171 -0.0325 -0.0423 36 VAL A C 266 O O . VAL A 36 ? 0.2946 0.3362 0.2949 0.0179 -0.0303 -0.0404 36 VAL A O 267 C CB . VAL A 36 ? 0.2854 0.3348 0.3072 0.0116 -0.0285 -0.0410 36 VAL A CB 268 C CG1 . VAL A 36 ? 0.2908 0.3384 0.3049 0.0118 -0.0261 -0.0395 36 VAL A CG1 269 C CG2 . VAL A 36 ? 0.2838 0.3365 0.3132 0.0082 -0.0256 -0.0392 36 VAL A CG2 270 N N . ALA A 37 ? 0.3084 0.3518 0.3191 0.0194 -0.0372 -0.0455 37 ALA A N 271 C CA . ALA A 37 ? 0.3191 0.3589 0.3209 0.0231 -0.0401 -0.0471 37 ALA A CA 272 C C . ALA A 37 ? 0.3180 0.3553 0.3127 0.0248 -0.0398 -0.0453 37 ALA A C 273 O O . ALA A 37 ? 0.3099 0.3439 0.2946 0.0268 -0.0387 -0.0442 37 ALA A O 274 C CB . ALA A 37 ? 0.3312 0.3711 0.3373 0.0252 -0.0457 -0.0512 37 ALA A CB 275 N N . ALA A 38 ? 0.3232 0.3620 0.3235 0.0241 -0.0404 -0.0451 38 ALA A N 276 C CA . ALA A 38 ? 0.3274 0.3643 0.3225 0.0255 -0.0399 -0.0434 38 ALA A CA 277 C C . ALA A 38 ? 0.3177 0.3537 0.3072 0.0240 -0.0345 -0.0398 38 ALA A C 278 O O . ALA A 38 ? 0.3294 0.3622 0.3104 0.0261 -0.0337 -0.0383 38 ALA A O 279 C CB . ALA A 38 ? 0.3232 0.3623 0.3268 0.0246 -0.0412 -0.0438 38 ALA A CB 280 N N . SER A 39 ? 0.3099 0.3486 0.3041 0.0205 -0.0309 -0.0383 39 SER A N 281 C CA . SER A 39 ? 0.3131 0.3511 0.3026 0.0190 -0.0260 -0.0353 39 SER A CA 282 C C . SER A 39 ? 0.3137 0.3487 0.2944 0.0207 -0.0250 -0.0348 39 SER A C 283 O O . SER A 39 ? 0.3111 0.3436 0.2850 0.0215 -0.0223 -0.0327 39 SER A O 284 C CB . SER A 39 ? 0.3048 0.3463 0.3009 0.0150 -0.0227 -0.0340 39 SER A CB 285 O OG . SER A 39 ? 0.3312 0.3751 0.3341 0.0134 -0.0224 -0.0339 39 SER A OG 286 N N . TRP A 40 ? 0.3146 0.3497 0.2959 0.0213 -0.0270 -0.0368 40 TRP A N 287 C CA . TRP A 40 ? 0.3269 0.3590 0.3002 0.0231 -0.0260 -0.0367 40 TRP A CA 288 C C . TRP A 40 ? 0.3472 0.3750 0.3110 0.0269 -0.0275 -0.0367 40 TRP A C 289 O O . TRP A 40 ? 0.3463 0.3712 0.3024 0.0278 -0.0244 -0.0346 40 TRP A O 290 C CB . TRP A 40 ? 0.3291 0.3620 0.3053 0.0233 -0.0285 -0.0394 40 TRP A CB 291 C CG . TRP A 40 ? 0.3354 0.3651 0.3035 0.0252 -0.0275 -0.0396 40 TRP A CG 292 C CD1 . TRP A 40 ? 0.3493 0.3755 0.3097 0.0289 -0.0303 -0.0414 40 TRP A CD1 293 C CD2 . TRP A 40 ? 0.3272 0.3569 0.2939 0.0235 -0.0234 -0.0377 40 TRP A CD2 294 N NE1 . TRP A 40 ? 0.3402 0.3641 0.2944 0.0296 -0.0278 -0.0409 40 TRP A NE1 295 C CE2 . TRP A 40 ? 0.3346 0.3607 0.2930 0.0263 -0.0236 -0.0387 40 TRP A CE2 296 C CE3 . TRP A 40 ? 0.3158 0.3482 0.2874 0.0200 -0.0196 -0.0355 40 TRP A CE3 297 C CZ2 . TRP A 40 ? 0.3358 0.3608 0.2913 0.0255 -0.0199 -0.0374 40 TRP A CZ2 298 C CZ3 . TRP A 40 ? 0.3185 0.3501 0.2874 0.0193 -0.0164 -0.0343 40 TRP A CZ3 299 C CH2 . TRP A 40 ? 0.3220 0.3498 0.2831 0.0221 -0.0164 -0.0352 40 TRP A CH2 300 N N . ALA A 41 ? 0.3610 0.3883 0.3255 0.0292 -0.0322 -0.0389 41 ALA A N 301 C CA . ALA A 41 ? 0.3825 0.4058 0.3381 0.0331 -0.0344 -0.0391 41 ALA A CA 302 C C . ALA A 41 ? 0.3850 0.4066 0.3361 0.0332 -0.0309 -0.0357 41 ALA A C 303 O O . ALA A 41 ? 0.4015 0.4190 0.3429 0.0359 -0.0298 -0.0344 41 ALA A O 304 C CB . ALA A 41 ? 0.3914 0.4154 0.3508 0.0350 -0.0402 -0.0420 41 ALA A CB 305 N N . HIS A 42 ? 0.3766 0.4010 0.3345 0.0303 -0.0287 -0.0342 42 HIS A N 306 C CA . HIS A 42 ? 0.3825 0.4055 0.3372 0.0300 -0.0250 -0.0311 42 HIS A CA 307 C C . HIS A 42 ? 0.3732 0.3953 0.3242 0.0285 -0.0197 -0.0287 42 HIS A C 308 O O . HIS A 42 ? 0.3673 0.3860 0.3110 0.0302 -0.0173 -0.0266 42 HIS A O 309 C CB . HIS A 42 ? 0.3882 0.4146 0.3516 0.0274 -0.0245 -0.0307 42 HIS A CB 310 C CG . HIS A 42 ? 0.4136 0.4389 0.3749 0.0267 -0.0207 -0.0278 42 HIS A CG 311 N ND1 . HIS A 42 ? 0.4239 0.4508 0.3873 0.0236 -0.0159 -0.0259 42 HIS A ND1 312 C CD2 . HIS A 42 ? 0.4214 0.4442 0.3789 0.0289 -0.0208 -0.0265 42 HIS A CD2 313 C CE1 . HIS A 42 ? 0.4312 0.4566 0.3925 0.0238 -0.0134 -0.0238 42 HIS A CE1 314 N NE2 . HIS A 42 ? 0.4344 0.4573 0.3922 0.0270 -0.0161 -0.0240 42 HIS A NE2 315 N N . ASP A 43 ? 0.3534 0.3786 0.3099 0.0253 -0.0179 -0.0288 43 ASP A N 316 C CA . ASP A 43 ? 0.3456 0.3705 0.3003 0.0235 -0.0130 -0.0266 43 ASP A CA 317 C C . ASP A 43 ? 0.3497 0.3708 0.2958 0.0258 -0.0117 -0.0262 43 ASP A C 318 O O . ASP A 43 ? 0.3447 0.3643 0.2876 0.0253 -0.0075 -0.0240 43 ASP A O 319 C CB . ASP A 43 ? 0.3437 0.3728 0.3063 0.0197 -0.0117 -0.0268 43 ASP A CB 320 C CG . ASP A 43 ? 0.3488 0.3813 0.3187 0.0170 -0.0111 -0.0262 43 ASP A CG 321 O OD1 . ASP A 43 ? 0.3439 0.3757 0.3137 0.0179 -0.0119 -0.0260 43 ASP A OD1 322 O OD2 . ASP A 43 ? 0.3597 0.3955 0.3355 0.0140 -0.0097 -0.0260 43 ASP A OD2 323 N N . THR A 44 ? 0.3505 0.3700 0.2933 0.0284 -0.0153 -0.0285 44 THR A N 324 C CA . THR A 44 ? 0.3719 0.3874 0.3058 0.0310 -0.0143 -0.0284 44 THR A CA 325 C C . THR A 44 ? 0.4005 0.4115 0.3252 0.0351 -0.0154 -0.0279 44 THR A C 326 O O . THR A 44 ? 0.4244 0.4314 0.3404 0.0379 -0.0150 -0.0279 44 THR A O 327 C CB . THR A 44 ? 0.3675 0.3835 0.3021 0.0318 -0.0174 -0.0315 44 THR A CB 328 O OG1 . THR A 44 ? 0.3551 0.3718 0.2918 0.0334 -0.0228 -0.0342 44 THR A OG1 329 C CG2 . THR A 44 ? 0.3492 0.3692 0.2923 0.0280 -0.0160 -0.0318 44 THR A CG2 330 N N . ASN A 45 ? 0.4146 0.4259 0.3409 0.0359 -0.0169 -0.0275 45 ASN A N 331 C CA . ASN A 45 ? 0.4424 0.4495 0.3603 0.0400 -0.0187 -0.0269 45 ASN A CA 332 C C . ASN A 45 ? 0.4342 0.4426 0.3565 0.0393 -0.0193 -0.0259 45 ASN A C 333 O O . ASN A 45 ? 0.4419 0.4518 0.3678 0.0402 -0.0239 -0.0278 45 ASN A O 334 C CB . ASN A 45 ? 0.4688 0.4746 0.3831 0.0431 -0.0242 -0.0302 45 ASN A CB 335 C CG . ASN A 45 ? 0.4931 0.4946 0.3985 0.0476 -0.0269 -0.0299 45 ASN A CG 336 O OD1 . ASN A 45 ? 0.4946 0.4931 0.3942 0.0490 -0.0238 -0.0269 45 ASN A OD1 337 N ND2 . ASN A 45 ? 0.5250 0.5265 0.4296 0.0500 -0.0327 -0.0331 45 ASN A ND2 338 N N . ILE A 46 ? 0.4277 0.4359 0.3505 0.0374 -0.0146 -0.0228 46 ILE A N 339 C CA . ILE A 46 ? 0.4352 0.4452 0.3634 0.0361 -0.0143 -0.0217 46 ILE A CA 340 C C . ILE A 46 ? 0.4526 0.4589 0.3746 0.0401 -0.0165 -0.0210 46 ILE A C 341 O O . ILE A 46 ? 0.4685 0.4706 0.3822 0.0425 -0.0141 -0.0187 46 ILE A O 342 C CB . ILE A 46 ? 0.4225 0.4333 0.3533 0.0332 -0.0085 -0.0190 46 ILE A CB 343 C CG1 . ILE A 46 ? 0.4215 0.4356 0.3573 0.0296 -0.0063 -0.0195 46 ILE A CG1 344 C CG2 . ILE A 46 ? 0.4091 0.4221 0.3462 0.0316 -0.0082 -0.0183 46 ILE A CG2 345 C CD1 . ILE A 46 ? 0.3994 0.4140 0.3370 0.0271 -0.0009 -0.0171 46 ILE A CD1 346 N N . THR A 47 ? 0.4504 0.4583 0.3765 0.0409 -0.0214 -0.0229 47 THR A N 347 C CA . THR A 47 ? 0.4656 0.4707 0.3873 0.0445 -0.0242 -0.0224 47 THR A CA 348 C C . THR A 47 ? 0.4525 0.4610 0.3839 0.0428 -0.0265 -0.0233 47 THR A C 349 O O . THR A 47 ? 0.4369 0.4498 0.3773 0.0395 -0.0268 -0.0249 47 THR A O 350 C CB . THR A 47 ? 0.4702 0.4725 0.3848 0.0487 -0.0295 -0.0246 47 THR A CB 351 O OG1 . THR A 47 ? 0.4660 0.4719 0.3881 0.0478 -0.0344 -0.0282 47 THR A OG1 352 C CG2 . THR A 47 ? 0.4792 0.4783 0.3846 0.0503 -0.0275 -0.0243 47 THR A CG2 353 N N . ALA A 48 ? 0.4675 0.4740 0.3969 0.0453 -0.0280 -0.0222 48 ALA A N 354 C CA . ALA A 48 ? 0.4596 0.4690 0.3981 0.0441 -0.0302 -0.0230 48 ALA A CA 355 C C . ALA A 48 ? 0.4563 0.4683 0.4004 0.0444 -0.0360 -0.0268 48 ALA A C 356 O O . ALA A 48 ? 0.4635 0.4795 0.4178 0.0416 -0.0367 -0.0282 48 ALA A O 357 C CB . ALA A 48 ? 0.4814 0.4877 0.4161 0.0472 -0.0308 -0.0210 48 ALA A CB 358 N N . GLU A 49 ? 0.4753 0.4849 0.4127 0.0478 -0.0401 -0.0285 49 GLU A N 359 C CA . GLU A 49 ? 0.5081 0.5199 0.4507 0.0484 -0.0460 -0.0324 49 GLU A CA 360 C C . GLU A 49 ? 0.4807 0.4963 0.4303 0.0447 -0.0447 -0.0342 49 GLU A C 361 O O . GLU A 49 ? 0.4750 0.4941 0.4341 0.0431 -0.0475 -0.0367 49 GLU A O 362 C CB . GLU A 49 ? 0.5537 0.5618 0.4866 0.0533 -0.0507 -0.0339 49 GLU A CB 363 C CG . GLU A 49 ? 0.6163 0.6262 0.5544 0.0545 -0.0576 -0.0382 49 GLU A CG 364 C CD . GLU A 49 ? 0.6409 0.6539 0.5899 0.0536 -0.0606 -0.0394 49 GLU A CD 365 O OE1 . GLU A 49 ? 0.6752 0.6863 0.6221 0.0561 -0.0623 -0.0381 49 GLU A OE1 366 O OE2 . GLU A 49 ? 0.6459 0.6631 0.6060 0.0505 -0.0611 -0.0415 49 GLU A OE2 367 N N . ASN A 50 ? 0.4619 0.4769 0.4073 0.0432 -0.0403 -0.0328 50 ASN A N 368 C CA . ASN A 50 ? 0.4285 0.4470 0.3805 0.0396 -0.0387 -0.0340 50 ASN A CA 369 C C . ASN A 50 ? 0.3893 0.4118 0.3513 0.0353 -0.0356 -0.0331 50 ASN A C 370 O O . ASN A 50 ? 0.3824 0.4085 0.3528 0.0328 -0.0363 -0.0348 50 ASN A O 371 C CB . ASN A 50 ? 0.4365 0.4531 0.3813 0.0395 -0.0353 -0.0329 50 ASN A CB 372 C CG . ASN A 50 ? 0.4574 0.4709 0.3942 0.0432 -0.0389 -0.0350 50 ASN A CG 373 O OD1 . ASN A 50 ? 0.4642 0.4782 0.4029 0.0451 -0.0443 -0.0380 50 ASN A OD1 374 N ND2 . ASN A 50 ? 0.4545 0.4649 0.3825 0.0442 -0.0357 -0.0335 50 ASN A ND2 375 N N . ALA A 51 ? 0.3976 0.4194 0.3588 0.0346 -0.0321 -0.0304 51 ALA A N 376 C CA . ALA A 51 ? 0.3817 0.4071 0.3518 0.0308 -0.0293 -0.0296 51 ALA A CA 377 C C . ALA A 51 ? 0.3863 0.4142 0.3654 0.0306 -0.0331 -0.0317 51 ALA A C 378 O O . ALA A 51 ? 0.3635 0.3950 0.3514 0.0275 -0.0324 -0.0328 51 ALA A O 379 C CB . ALA A 51 ? 0.3885 0.4122 0.3555 0.0305 -0.0251 -0.0265 51 ALA A CB 380 N N . ARG A 52 ? 0.4022 0.4279 0.3789 0.0340 -0.0370 -0.0324 52 ARG A N 381 C CA . ARG A 52 ? 0.4240 0.4517 0.4091 0.0344 -0.0412 -0.0346 52 ARG A CA 382 C C . ARG A 52 ? 0.3969 0.4274 0.3886 0.0333 -0.0441 -0.0378 52 ARG A C 383 O O . ARG A 52 ? 0.3646 0.3984 0.3665 0.0308 -0.0441 -0.0390 52 ARG A O 384 C CB . ARG A 52 ? 0.4869 0.5113 0.4665 0.0389 -0.0456 -0.0349 52 ARG A CB 385 C CG . ARG A 52 ? 0.5651 0.5910 0.5527 0.0401 -0.0508 -0.0374 52 ARG A CG 386 C CD . ARG A 52 ? 0.6404 0.6627 0.6205 0.0450 -0.0556 -0.0377 52 ARG A CD 387 N NE . ARG A 52 ? 0.7231 0.7467 0.7103 0.0467 -0.0618 -0.0408 52 ARG A NE 388 C CZ . ARG A 52 ? 0.7643 0.7888 0.7537 0.0478 -0.0665 -0.0444 52 ARG A CZ 389 N NH1 . ARG A 52 ? 0.7550 0.7793 0.7401 0.0473 -0.0657 -0.0452 52 ARG A NH1 390 N NH2 . ARG A 52 ? 0.7896 0.8154 0.7863 0.0493 -0.0721 -0.0472 52 ARG A NH2 391 N N . ARG A 53 ? 0.4092 0.4381 0.3951 0.0351 -0.0462 -0.0392 53 ARG A N 392 C CA . ARG A 53 ? 0.3996 0.4310 0.3917 0.0342 -0.0488 -0.0422 53 ARG A CA 393 C C . ARG A 53 ? 0.3700 0.4049 0.3690 0.0297 -0.0445 -0.0415 53 ARG A C 394 O O . ARG A 53 ? 0.3509 0.3888 0.3595 0.0279 -0.0457 -0.0434 53 ARG A O 395 C CB . ARG A 53 ? 0.4453 0.4742 0.4293 0.0369 -0.0514 -0.0437 53 ARG A CB 396 C CG . ARG A 53 ? 0.4988 0.5248 0.4776 0.0415 -0.0572 -0.0456 53 ARG A CG 397 C CD . ARG A 53 ? 0.5530 0.5768 0.5244 0.0440 -0.0597 -0.0476 53 ARG A CD 398 N NE . ARG A 53 ? 0.6201 0.6405 0.5837 0.0487 -0.0647 -0.0487 53 ARG A NE 399 C CZ . ARG A 53 ? 0.6253 0.6413 0.5760 0.0518 -0.0638 -0.0469 53 ARG A CZ 400 N NH1 . ARG A 53 ? 0.6325 0.6471 0.5773 0.0504 -0.0580 -0.0439 53 ARG A NH1 401 N NH2 . ARG A 53 ? 0.6649 0.6779 0.6088 0.0562 -0.0687 -0.0481 53 ARG A NH2 402 N N . GLN A 54 ? 0.3561 0.3904 0.3502 0.0280 -0.0395 -0.0387 54 GLN A N 403 C CA . GLN A 54 ? 0.3510 0.3884 0.3506 0.0239 -0.0353 -0.0377 54 GLN A CA 404 C C . GLN A 54 ? 0.3317 0.3718 0.3403 0.0215 -0.0340 -0.0374 54 GLN A C 405 O O . GLN A 54 ? 0.3141 0.3574 0.3308 0.0189 -0.0332 -0.0381 54 GLN A O 406 C CB . GLN A 54 ? 0.3520 0.3879 0.3443 0.0229 -0.0305 -0.0348 54 GLN A CB 407 C CG . GLN A 54 ? 0.3576 0.3965 0.3541 0.0191 -0.0267 -0.0339 54 GLN A CG 408 C CD . GLN A 54 ? 0.3581 0.3996 0.3611 0.0161 -0.0238 -0.0327 54 GLN A CD 409 O OE1 . GLN A 54 ? 0.3747 0.4151 0.3760 0.0164 -0.0224 -0.0314 54 GLN A OE1 410 N NE2 . GLN A 54 ? 0.3383 0.3831 0.3487 0.0133 -0.0229 -0.0333 54 GLN A NE2 411 N N . GLU A 55 ? 0.3509 0.3898 0.3584 0.0226 -0.0339 -0.0363 55 GLU A N 412 C CA . GLU A 55 ? 0.3633 0.4046 0.3794 0.0205 -0.0327 -0.0363 55 GLU A CA 413 C C . GLU A 55 ? 0.3650 0.4082 0.3904 0.0208 -0.0368 -0.0391 55 GLU A C 414 O O . GLU A 55 ? 0.3469 0.3930 0.3811 0.0182 -0.0352 -0.0395 55 GLU A O 415 C CB . GLU A 55 ? 0.3891 0.4284 0.4021 0.0218 -0.0317 -0.0346 55 GLU A CB 416 C CG . GLU A 55 ? 0.4221 0.4601 0.4284 0.0207 -0.0268 -0.0317 55 GLU A CG 417 C CD . GLU A 55 ? 0.4572 0.4929 0.4603 0.0222 -0.0258 -0.0299 55 GLU A CD 418 O OE1 . GLU A 55 ? 0.4682 0.5046 0.4771 0.0224 -0.0273 -0.0306 55 GLU A OE1 419 O OE2 . GLU A 55 ? 0.4611 0.4942 0.4563 0.0231 -0.0235 -0.0279 55 GLU A OE2 420 N N . GLU A 56 ? 0.3932 0.4349 0.4169 0.0241 -0.0419 -0.0413 56 GLU A N 421 C CA . GLU A 56 ? 0.4012 0.4448 0.4342 0.0245 -0.0461 -0.0444 56 GLU A CA 422 C C . GLU A 56 ? 0.3854 0.4316 0.4243 0.0221 -0.0453 -0.0457 56 GLU A C 423 O O . GLU A 56 ? 0.3745 0.4234 0.4240 0.0204 -0.0455 -0.0470 56 GLU A O 424 C CB . GLU A 56 ? 0.4595 0.5007 0.4887 0.0288 -0.0522 -0.0466 56 GLU A CB 425 C CG . GLU A 56 ? 0.5235 0.5627 0.5502 0.0311 -0.0537 -0.0457 56 GLU A CG 426 C CD . GLU A 56 ? 0.5791 0.6152 0.5990 0.0357 -0.0593 -0.0471 56 GLU A CD 427 O OE1 . GLU A 56 ? 0.6192 0.6546 0.6354 0.0373 -0.0621 -0.0491 56 GLU A OE1 428 O OE2 . GLU A 56 ? 0.6131 0.6475 0.6311 0.0380 -0.0611 -0.0464 56 GLU A OE2 429 N N . ALA A 57 ? 0.3741 0.4196 0.4067 0.0218 -0.0438 -0.0450 57 ALA A N 430 C CA . ALA A 57 ? 0.3531 0.4010 0.3910 0.0194 -0.0424 -0.0457 57 ALA A CA 431 C C . ALA A 57 ? 0.3418 0.3923 0.3852 0.0155 -0.0374 -0.0436 57 ALA A C 432 O O . ALA A 57 ? 0.3390 0.3921 0.3910 0.0135 -0.0368 -0.0445 57 ALA A O 433 C CB . ALA A 57 ? 0.3628 0.4090 0.3924 0.0201 -0.0418 -0.0452 57 ALA A CB 434 N N . ALA A 58 ? 0.3399 0.3897 0.3785 0.0145 -0.0337 -0.0410 58 ALA A N 435 C CA . ALA A 58 ? 0.3277 0.3798 0.3706 0.0111 -0.0290 -0.0392 58 ALA A CA 436 C C . ALA A 58 ? 0.3279 0.3820 0.3810 0.0102 -0.0296 -0.0403 58 ALA A C 437 O O . ALA A 58 ? 0.3210 0.3775 0.3809 0.0076 -0.0271 -0.0401 58 ALA A O 438 C CB . ALA A 58 ? 0.3369 0.3877 0.3727 0.0105 -0.0254 -0.0365 58 ALA A CB 439 N N . LEU A 59 ? 0.3278 0.3806 0.3818 0.0125 -0.0327 -0.0415 59 LEU A N 440 C CA . LEU A 59 ? 0.3367 0.3911 0.4010 0.0121 -0.0337 -0.0429 59 LEU A CA 441 C C . LEU A 59 ? 0.3264 0.3827 0.3998 0.0116 -0.0359 -0.0453 59 LEU A C 442 O O . LEU A 59 ? 0.3251 0.3837 0.4077 0.0095 -0.0339 -0.0455 59 LEU A O 443 C CB . LEU A 59 ? 0.3461 0.3986 0.4096 0.0151 -0.0376 -0.0439 59 LEU A CB 444 C CG . LEU A 59 ? 0.3631 0.4150 0.4264 0.0151 -0.0357 -0.0425 59 LEU A CG 445 C CD1 . LEU A 59 ? 0.3630 0.4140 0.4307 0.0179 -0.0406 -0.0444 59 LEU A CD1 446 C CD2 . LEU A 59 ? 0.3410 0.3951 0.4106 0.0115 -0.0308 -0.0413 59 LEU A CD2 447 N N . LEU A 60 ? 0.3342 0.3896 0.4052 0.0137 -0.0398 -0.0471 60 LEU A N 448 C CA . LEU A 60 ? 0.3370 0.3942 0.4167 0.0133 -0.0418 -0.0496 60 LEU A CA 449 C C . LEU A 60 ? 0.3390 0.3983 0.4222 0.0099 -0.0372 -0.0480 60 LEU A C 450 O O . LEU A 60 ? 0.3221 0.3836 0.4158 0.0083 -0.0364 -0.0489 60 LEU A O 451 C CB . LEU A 60 ? 0.3653 0.4209 0.4406 0.0161 -0.0466 -0.0519 60 LEU A CB 452 C CG . LEU A 60 ? 0.3864 0.4435 0.4717 0.0167 -0.0504 -0.0553 60 LEU A CG 453 C CD1 . LEU A 60 ? 0.3964 0.4550 0.4932 0.0165 -0.0519 -0.0570 60 LEU A CD1 454 C CD2 . LEU A 60 ? 0.3986 0.4537 0.4785 0.0201 -0.0559 -0.0580 60 LEU A CD2 455 N N . SER A 61 ? 0.3259 0.3847 0.4008 0.0087 -0.0339 -0.0455 61 SER A N 456 C CA . SER A 61 ? 0.3218 0.3826 0.3991 0.0056 -0.0295 -0.0437 61 SER A CA 457 C C . SER A 61 ? 0.3281 0.3907 0.4118 0.0032 -0.0258 -0.0425 61 SER A C 458 O O . SER A 61 ? 0.3294 0.3939 0.4198 0.0011 -0.0234 -0.0421 61 SER A O 459 C CB . SER A 61 ? 0.3328 0.3926 0.3999 0.0049 -0.0267 -0.0413 61 SER A CB 460 O OG . SER A 61 ? 0.3591 0.4171 0.4203 0.0072 -0.0297 -0.0424 61 SER A OG 461 N N . GLN A 62 ? 0.3266 0.3883 0.4079 0.0035 -0.0250 -0.0418 62 GLN A N 462 C CA . GLN A 62 ? 0.3244 0.3876 0.4115 0.0014 -0.0216 -0.0409 62 GLN A CA 463 C C . GLN A 62 ? 0.3201 0.3846 0.4192 0.0015 -0.0232 -0.0431 62 GLN A C 464 O O . GLN A 62 ? 0.3200 0.3862 0.4259 -0.0007 -0.0199 -0.0425 62 GLN A O 465 C CB . GLN A 62 ? 0.3229 0.3848 0.4048 0.0018 -0.0204 -0.0397 62 GLN A CB 466 C CG . GLN A 62 ? 0.3163 0.3777 0.3888 0.0005 -0.0169 -0.0372 62 GLN A CG 467 C CD . GLN A 62 ? 0.3150 0.3740 0.3798 0.0022 -0.0175 -0.0365 62 GLN A CD 468 O OE1 . GLN A 62 ? 0.3172 0.3746 0.3816 0.0049 -0.0212 -0.0378 62 GLN A OE1 469 N NE2 . GLN A 62 ? 0.3043 0.3630 0.3630 0.0008 -0.0139 -0.0344 62 GLN A NE2 470 N N . GLU A 63 ? 0.3271 0.3907 0.4289 0.0041 -0.0284 -0.0457 63 GLU A N 471 C CA . GLU A 63 ? 0.3323 0.3972 0.4465 0.0045 -0.0306 -0.0482 63 GLU A CA 472 C C . GLU A 63 ? 0.3166 0.3833 0.4377 0.0027 -0.0291 -0.0485 63 GLU A C 473 O O . GLU A 63 ? 0.2987 0.3670 0.4295 0.0010 -0.0266 -0.0486 63 GLU A O 474 C CB . GLU A 63 ? 0.3696 0.4332 0.4844 0.0079 -0.0371 -0.0512 63 GLU A CB 475 C CG . GLU A 63 ? 0.4187 0.4811 0.5331 0.0097 -0.0392 -0.0516 63 GLU A CG 476 C CD . GLU A 63 ? 0.4661 0.5273 0.5807 0.0133 -0.0459 -0.0546 63 GLU A CD 477 O OE1 . GLU A 63 ? 0.4870 0.5493 0.6106 0.0139 -0.0492 -0.0574 63 GLU A OE1 478 O OE2 . GLU A 63 ? 0.5009 0.5598 0.6067 0.0156 -0.0481 -0.0541 63 GLU A OE2 479 N N . PHE A 64 ? 0.3109 0.3772 0.4269 0.0032 -0.0303 -0.0485 64 PHE A N 480 C CA . PHE A 64 ? 0.3048 0.3726 0.4260 0.0017 -0.0287 -0.0484 64 PHE A CA 481 C C . PHE A 64 ? 0.2972 0.3663 0.4193 -0.0014 -0.0226 -0.0454 64 PHE A C 482 O O . PHE A 64 ? 0.2913 0.3619 0.4227 -0.0029 -0.0205 -0.0454 64 PHE A O 483 C CB . PHE A 64 ? 0.3188 0.3856 0.4325 0.0027 -0.0306 -0.0486 64 PHE A CB 484 C CG . PHE A 64 ? 0.3297 0.3979 0.4487 0.0013 -0.0292 -0.0485 64 PHE A CG 485 C CD1 . PHE A 64 ? 0.3382 0.4070 0.4663 0.0024 -0.0326 -0.0515 64 PHE A CD1 486 C CD2 . PHE A 64 ? 0.3289 0.3978 0.4439 -0.0008 -0.0247 -0.0454 64 PHE A CD2 487 C CE1 . PHE A 64 ? 0.3418 0.4117 0.4751 0.0011 -0.0312 -0.0514 64 PHE A CE1 488 C CE2 . PHE A 64 ? 0.3379 0.4079 0.4577 -0.0020 -0.0234 -0.0451 64 PHE A CE2 489 C CZ . PHE A 64 ? 0.3425 0.4130 0.4717 -0.0010 -0.0265 -0.0480 64 PHE A CZ 490 N N . ALA A 65 ? 0.3092 0.3776 0.4215 -0.0023 -0.0197 -0.0428 65 ALA A N 491 C CA . ALA A 65 ? 0.3023 0.3719 0.4136 -0.0050 -0.0142 -0.0399 65 ALA A CA 492 C C . ALA A 65 ? 0.3079 0.3785 0.4272 -0.0064 -0.0115 -0.0399 65 ALA A C 493 O O . ALA A 65 ? 0.2999 0.3717 0.4233 -0.0084 -0.0076 -0.0384 65 ALA A O 494 C CB . ALA A 65 ? 0.3172 0.3858 0.4168 -0.0055 -0.0124 -0.0377 65 ALA A CB 495 N N . GLU A 66 ? 0.3102 0.3800 0.4314 -0.0051 -0.0135 -0.0413 66 GLU A N 496 C CA . GLU A 66 ? 0.3287 0.3993 0.4584 -0.0061 -0.0111 -0.0416 66 GLU A CA 497 C C . GLU A 66 ? 0.3111 0.3829 0.4536 -0.0063 -0.0117 -0.0433 66 GLU A C 498 O O . GLU A 66 ? 0.3165 0.3894 0.4653 -0.0082 -0.0074 -0.0423 66 GLU A O 499 C CB . GLU A 66 ? 0.3663 0.4359 0.4957 -0.0045 -0.0135 -0.0429 66 GLU A CB 500 C CG . GLU A 66 ? 0.4140 0.4842 0.5518 -0.0056 -0.0108 -0.0432 66 GLU A CG 501 C CD . GLU A 66 ? 0.4610 0.5301 0.5990 -0.0037 -0.0136 -0.0445 66 GLU A CD 502 O OE1 . GLU A 66 ? 0.4856 0.5540 0.6254 -0.0012 -0.0189 -0.0467 66 GLU A OE1 503 O OE2 . GLU A 66 ? 0.5044 0.5733 0.6406 -0.0047 -0.0104 -0.0434 66 GLU A OE2 504 N N . ALA A 67 ? 0.3012 0.3728 0.4477 -0.0043 -0.0167 -0.0459 67 ALA A N 505 C CA . ALA A 67 ? 0.2927 0.3655 0.4524 -0.0043 -0.0177 -0.0480 67 ALA A CA 506 C C . ALA A 67 ? 0.2890 0.3629 0.4517 -0.0065 -0.0134 -0.0460 67 ALA A C 507 O O . ALA A 67 ? 0.2834 0.3582 0.4552 -0.0079 -0.0099 -0.0456 67 ALA A O 508 C CB . ALA A 67 ? 0.3034 0.3757 0.4656 -0.0016 -0.0241 -0.0513 67 ALA A CB 509 N N . TRP A 68 ? 0.2952 0.3689 0.4501 -0.0066 -0.0134 -0.0447 68 TRP A N 510 C CA . TRP A 68 ? 0.2972 0.3719 0.4542 -0.0085 -0.0096 -0.0426 68 TRP A CA 511 C C . TRP A 68 ? 0.3056 0.3807 0.4590 -0.0109 -0.0036 -0.0392 68 TRP A C 512 O O . TRP A 68 ? 0.3037 0.3796 0.4631 -0.0124 0.0002 -0.0377 68 TRP A O 513 C CB . TRP A 68 ? 0.2836 0.3579 0.4339 -0.0078 -0.0118 -0.0424 68 TRP A CB 514 C CG . TRP A 68 ? 0.2944 0.3686 0.4506 -0.0058 -0.0170 -0.0459 68 TRP A CG 515 C CD1 . TRP A 68 ? 0.2895 0.3626 0.4426 -0.0033 -0.0224 -0.0487 68 TRP A CD1 516 C CD2 . TRP A 68 ? 0.2858 0.3609 0.4521 -0.0060 -0.0175 -0.0472 68 TRP A CD2 517 N NE1 . TRP A 68 ? 0.2890 0.3624 0.4495 -0.0019 -0.0264 -0.0518 68 TRP A NE1 518 C CE2 . TRP A 68 ? 0.2855 0.3601 0.4545 -0.0036 -0.0234 -0.0510 68 TRP A CE2 519 C CE3 . TRP A 68 ? 0.2859 0.3621 0.4593 -0.0078 -0.0133 -0.0453 68 TRP A CE3 520 C CZ2 . TRP A 68 ? 0.2880 0.3634 0.4670 -0.0031 -0.0255 -0.0534 68 TRP A CZ2 521 C CZ3 . TRP A 68 ? 0.2783 0.3551 0.4619 -0.0074 -0.0151 -0.0474 68 TRP A CZ3 522 C CH2 . TRP A 68 ? 0.2804 0.3569 0.4669 -0.0051 -0.0212 -0.0516 68 TRP A CH2 523 N N . GLY A 69 ? 0.3159 0.3903 0.4596 -0.0111 -0.0026 -0.0380 69 GLY A N 524 C CA . GLY A 69 ? 0.2924 0.3671 0.4319 -0.0132 0.0026 -0.0352 69 GLY A CA 525 C C . GLY A 69 ? 0.3288 0.4039 0.4775 -0.0142 0.0059 -0.0353 69 GLY A C 526 O O . GLY A 69 ? 0.3136 0.3893 0.4642 -0.0160 0.0106 -0.0332 69 GLY A O 527 N N . GLN A 70 ? 0.3289 0.4037 0.4833 -0.0130 0.0034 -0.0378 70 GLN A N 528 C CA . GLN A 70 ? 0.3663 0.4414 0.5306 -0.0138 0.0063 -0.0383 70 GLN A CA 529 C C . GLN A 70 ? 0.3511 0.4271 0.5264 -0.0144 0.0079 -0.0383 70 GLN A C 530 O O . GLN A 70 ? 0.3521 0.4283 0.5330 -0.0159 0.0127 -0.0372 70 GLN A O 531 C CB . GLN A 70 ? 0.3983 0.4730 0.5679 -0.0121 0.0026 -0.0411 70 GLN A CB 532 C CG . GLN A 70 ? 0.4596 0.5333 0.6196 -0.0113 0.0013 -0.0410 70 GLN A CG 533 C CD . GLN A 70 ? 0.5058 0.5794 0.6616 -0.0132 0.0066 -0.0390 70 GLN A CD 534 O OE1 . GLN A 70 ? 0.5498 0.6239 0.7081 -0.0151 0.0116 -0.0374 70 GLN A OE1 535 N NE2 . GLN A 70 ? 0.5134 0.5861 0.6626 -0.0126 0.0056 -0.0391 70 GLN A NE2 536 N N . LYS A 71 ? 0.3379 0.4141 0.5161 -0.0133 0.0041 -0.0397 71 LYS A N 537 C CA . LYS A 71 ? 0.3418 0.4188 0.5311 -0.0137 0.0054 -0.0400 71 LYS A CA 538 C C . LYS A 71 ? 0.3491 0.4263 0.5347 -0.0157 0.0109 -0.0363 71 LYS A C 539 O O . LYS A 71 ? 0.3416 0.4192 0.5355 -0.0169 0.0152 -0.0351 71 LYS A O 540 C CB . LYS A 71 ? 0.3223 0.3995 0.5147 -0.0119 -0.0002 -0.0426 71 LYS A CB 541 C CG . LYS A 71 ? 0.3188 0.3967 0.5248 -0.0121 0.0001 -0.0437 71 LYS A CG 542 C CD . LYS A 71 ? 0.3099 0.3882 0.5295 -0.0125 0.0020 -0.0450 71 LYS A CD 543 C CE . LYS A 71 ? 0.3050 0.3833 0.5307 -0.0105 -0.0036 -0.0491 71 LYS A CE 544 N NZ . LYS A 71 ? 0.2872 0.3659 0.5265 -0.0109 -0.0016 -0.0503 71 LYS A NZ 545 N N . ALA A 72 ? 0.3507 0.4277 0.5240 -0.0160 0.0109 -0.0343 72 ALA A N 546 C CA . ALA A 72 ? 0.3500 0.4273 0.5183 -0.0177 0.0156 -0.0306 72 ALA A CA 547 C C . ALA A 72 ? 0.3572 0.4343 0.5253 -0.0193 0.0213 -0.0287 72 ALA A C 548 O O . ALA A 72 ? 0.3667 0.4439 0.5390 -0.0205 0.0258 -0.0265 72 ALA A O 549 C CB . ALA A 72 ? 0.3638 0.4408 0.5189 -0.0176 0.0142 -0.0293 72 ALA A CB 550 N N . LYS A 73 ? 0.3521 0.4288 0.5160 -0.0192 0.0212 -0.0295 73 LYS A N 551 C CA . LYS A 73 ? 0.3690 0.4454 0.5320 -0.0206 0.0263 -0.0280 73 LYS A CA 552 C C . LYS A 73 ? 0.3662 0.4427 0.5426 -0.0210 0.0290 -0.0289 73 LYS A C 553 O O . LYS A 73 ? 0.3630 0.4392 0.5408 -0.0223 0.0346 -0.0268 73 LYS A O 554 C CB . LYS A 73 ? 0.3876 0.4636 0.5431 -0.0204 0.0251 -0.0290 73 LYS A CB 555 C CG . LYS A 73 ? 0.4219 0.4978 0.5637 -0.0206 0.0242 -0.0275 73 LYS A CG 556 C CD . LYS A 73 ? 0.4462 0.5214 0.5822 -0.0198 0.0217 -0.0289 73 LYS A CD 557 C CE . LYS A 73 ? 0.4529 0.5278 0.5901 -0.0207 0.0252 -0.0291 73 LYS A CE 558 N NZ . LYS A 73 ? 0.4484 0.5227 0.5872 -0.0193 0.0220 -0.0315 73 LYS A NZ 559 N N . GLU A 74 ? 0.3587 0.4353 0.5449 -0.0196 0.0251 -0.0319 74 GLU A N 560 C CA . GLU A 74 ? 0.3511 0.4279 0.5517 -0.0197 0.0270 -0.0332 74 GLU A CA 561 C C . GLU A 74 ? 0.3340 0.4109 0.5407 -0.0207 0.0311 -0.0311 74 GLU A C 562 O O . GLU A 74 ? 0.3254 0.4019 0.5383 -0.0218 0.0365 -0.0298 74 GLU A O 563 C CB . GLU A 74 ? 0.3622 0.4393 0.5716 -0.0178 0.0208 -0.0371 74 GLU A CB 564 C CG . GLU A 74 ? 0.3874 0.4647 0.6127 -0.0177 0.0220 -0.0390 74 GLU A CG 565 C CD . GLU A 74 ? 0.4059 0.4837 0.6411 -0.0159 0.0158 -0.0427 74 GLU A CD 566 O OE1 . GLU A 74 ? 0.4061 0.4840 0.6351 -0.0144 0.0100 -0.0443 74 GLU A OE1 567 O OE2 . GLU A 74 ? 0.4224 0.5007 0.6720 -0.0160 0.0169 -0.0440 74 GLU A OE2 568 N N . LEU A 75 ? 0.3133 0.3906 0.5183 -0.0203 0.0288 -0.0306 75 LEU A N 569 C CA . LEU A 75 ? 0.3263 0.4038 0.5383 -0.0209 0.0320 -0.0288 75 LEU A CA 570 C C . LEU A 75 ? 0.3375 0.4147 0.5399 -0.0223 0.0370 -0.0244 75 LEU A C 571 O O . LEU A 75 ? 0.3436 0.4204 0.5514 -0.0232 0.0421 -0.0221 75 LEU A O 572 C CB . LEU A 75 ? 0.3110 0.3890 0.5274 -0.0197 0.0268 -0.0307 75 LEU A CB 573 C CG . LEU A 75 ? 0.3122 0.3907 0.5370 -0.0179 0.0207 -0.0353 75 LEU A CG 574 C CD1 . LEU A 75 ? 0.2953 0.3743 0.5211 -0.0168 0.0158 -0.0368 75 LEU A CD1 575 C CD2 . LEU A 75 ? 0.3040 0.3826 0.5447 -0.0180 0.0222 -0.0371 75 LEU A CD2 576 N N . TYR A 76 ? 0.3344 0.4115 0.5228 -0.0224 0.0356 -0.0232 76 TYR A N 577 C CA . TYR A 76 ? 0.3530 0.4300 0.5320 -0.0234 0.0387 -0.0194 76 TYR A CA 578 C C . TYR A 76 ? 0.3602 0.4369 0.5263 -0.0243 0.0414 -0.0174 76 TYR A C 579 O O . TYR A 76 ? 0.3413 0.4180 0.5000 -0.0251 0.0440 -0.0142 76 TYR A O 580 C CB . TYR A 76 ? 0.3324 0.4100 0.5074 -0.0226 0.0345 -0.0193 76 TYR A CB 581 C CG . TYR A 76 ? 0.3375 0.4155 0.5240 -0.0215 0.0310 -0.0218 76 TYR A CG 582 C CD1 . TYR A 76 ? 0.3523 0.4302 0.5512 -0.0218 0.0340 -0.0213 76 TYR A CD1 583 C CD2 . TYR A 76 ? 0.3396 0.4178 0.5245 -0.0201 0.0249 -0.0248 76 TYR A CD2 584 C CE1 . TYR A 76 ? 0.3506 0.4290 0.5607 -0.0208 0.0306 -0.0240 76 TYR A CE1 585 C CE2 . TYR A 76 ? 0.3441 0.4228 0.5393 -0.0190 0.0214 -0.0274 76 TYR A CE2 586 C CZ . TYR A 76 ? 0.3511 0.4299 0.5590 -0.0194 0.0242 -0.0271 76 TYR A CZ 587 O OH . TYR A 76 ? 0.3504 0.4297 0.5688 -0.0183 0.0205 -0.0301 76 TYR A OH 588 N N . GLU A 77 ? 0.3747 0.4512 0.5384 -0.0243 0.0407 -0.0192 77 GLU A N 589 C CA . GLU A 77 ? 0.4120 0.4883 0.5637 -0.0252 0.0429 -0.0177 77 GLU A CA 590 C C . GLU A 77 ? 0.4260 0.5017 0.5747 -0.0265 0.0493 -0.0144 77 GLU A C 591 O O . GLU A 77 ? 0.4373 0.5131 0.5753 -0.0271 0.0503 -0.0122 77 GLU A O 592 C CB . GLU A 77 ? 0.4156 0.4915 0.5664 -0.0250 0.0418 -0.0202 77 GLU A CB 593 C CG . GLU A 77 ? 0.4354 0.5110 0.5740 -0.0258 0.0436 -0.0191 77 GLU A CG 594 C CD . GLU A 77 ? 0.4557 0.5318 0.5834 -0.0255 0.0400 -0.0187 77 GLU A CD 595 O OE1 . GLU A 77 ? 0.4461 0.5226 0.5738 -0.0248 0.0370 -0.0184 77 GLU A OE1 596 O OE2 . GLU A 77 ? 0.4815 0.5575 0.6007 -0.0259 0.0404 -0.0188 77 GLU A OE2 597 N N . PRO A 78 ? 0.4261 0.5012 0.5845 -0.0269 0.0535 -0.0140 78 PRO A N 598 C CA . PRO A 78 ? 0.4346 0.5090 0.5886 -0.0279 0.0596 -0.0106 78 PRO A CA 599 C C . PRO A 78 ? 0.4319 0.5064 0.5842 -0.0280 0.0610 -0.0073 78 PRO A C 600 O O . PRO A 78 ? 0.4199 0.4936 0.5669 -0.0287 0.0658 -0.0041 78 PRO A O 601 C CB . PRO A 78 ? 0.4423 0.5158 0.6074 -0.0283 0.0641 -0.0112 78 PRO A CB 602 C CG . PRO A 78 ? 0.4398 0.5138 0.6162 -0.0273 0.0598 -0.0149 78 PRO A CG 603 C CD . PRO A 78 ? 0.4341 0.5091 0.6072 -0.0263 0.0533 -0.0161 78 PRO A CD 604 N N . ILE A 79 ? 0.4047 0.4799 0.5611 -0.0272 0.0569 -0.0079 79 ILE A N 605 C CA . ILE A 79 ? 0.3952 0.4703 0.5532 -0.0272 0.0585 -0.0049 79 ILE A CA 606 C C . ILE A 79 ? 0.3897 0.4658 0.5412 -0.0268 0.0543 -0.0042 79 ILE A C 607 O O . ILE A 79 ? 0.3821 0.4581 0.5316 -0.0269 0.0562 -0.0010 79 ILE A O 608 C CB . ILE A 79 ? 0.3955 0.4705 0.5692 -0.0268 0.0598 -0.0055 79 ILE A CB 609 C CG1 . ILE A 79 ? 0.3910 0.4668 0.5728 -0.0258 0.0537 -0.0096 79 ILE A CG1 610 C CG2 . ILE A 79 ? 0.4013 0.4751 0.5815 -0.0274 0.0656 -0.0050 79 ILE A CG2 611 C CD1 . ILE A 79 ? 0.3971 0.4729 0.5944 -0.0254 0.0541 -0.0106 79 ILE A CD1 612 N N . TRP A 80 ? 0.3733 0.4500 0.5215 -0.0261 0.0489 -0.0070 80 TRP A N 613 C CA . TRP A 80 ? 0.3712 0.4486 0.5150 -0.0255 0.0446 -0.0069 80 TRP A CA 614 C C . TRP A 80 ? 0.3695 0.4471 0.5015 -0.0261 0.0460 -0.0035 80 TRP A C 615 O O . TRP A 80 ? 0.3319 0.4100 0.4625 -0.0258 0.0445 -0.0021 80 TRP A O 616 C CB . TRP A 80 ? 0.3843 0.4621 0.5259 -0.0247 0.0390 -0.0105 80 TRP A CB 617 C CG . TRP A 80 ? 0.3956 0.4734 0.5262 -0.0250 0.0386 -0.0108 80 TRP A CG 618 C CD1 . TRP A 80 ? 0.3972 0.4745 0.5276 -0.0253 0.0395 -0.0124 80 TRP A CD1 619 C CD2 . TRP A 80 ? 0.4106 0.4887 0.5295 -0.0252 0.0372 -0.0095 80 TRP A CD2 620 N NE1 . TRP A 80 ? 0.4108 0.4882 0.5301 -0.0256 0.0389 -0.0123 80 TRP A NE1 621 C CE2 . TRP A 80 ? 0.4209 0.4988 0.5331 -0.0256 0.0374 -0.0106 80 TRP A CE2 622 C CE3 . TRP A 80 ? 0.4078 0.4864 0.5218 -0.0251 0.0358 -0.0077 80 TRP A CE3 623 C CZ2 . TRP A 80 ? 0.4229 0.5011 0.5239 -0.0259 0.0363 -0.0099 80 TRP A CZ2 624 C CZ3 . TRP A 80 ? 0.4319 0.5109 0.5347 -0.0254 0.0347 -0.0070 80 TRP A CZ3 625 C CH2 . TRP A 80 ? 0.4314 0.5102 0.5280 -0.0258 0.0349 -0.0081 80 TRP A CH2 626 N N . GLN A 81 ? 0.3715 0.4488 0.4953 -0.0269 0.0488 -0.0024 81 GLN A N 627 C CA . GLN A 81 ? 0.3944 0.4719 0.5066 -0.0274 0.0499 0.0004 81 GLN A CA 628 C C . GLN A 81 ? 0.3955 0.4726 0.5093 -0.0276 0.0538 0.0043 81 GLN A C 629 O O . GLN A 81 ? 0.3850 0.4626 0.4913 -0.0277 0.0537 0.0070 81 GLN A O 630 C CB . GLN A 81 ? 0.4108 0.4881 0.5147 -0.0282 0.0521 0.0002 81 GLN A CB 631 C CG . GLN A 81 ? 0.4483 0.5260 0.5473 -0.0280 0.0482 -0.0027 81 GLN A CG 632 C CD . GLN A 81 ? 0.4828 0.5599 0.5795 -0.0286 0.0506 -0.0041 81 GLN A CD 633 O OE1 . GLN A 81 ? 0.5283 0.6049 0.6217 -0.0294 0.0549 -0.0023 81 GLN A OE1 634 N NE2 . GLN A 81 ? 0.4927 0.5698 0.5912 -0.0282 0.0477 -0.0073 81 GLN A NE2 635 N N . GLN A 82 ? 0.3873 0.4638 0.5115 -0.0276 0.0570 0.0048 82 GLN A N 636 C CA . GLN A 82 ? 0.3985 0.4743 0.5256 -0.0276 0.0609 0.0086 82 GLN A CA 637 C C . GLN A 82 ? 0.3704 0.4466 0.5069 -0.0270 0.0588 0.0086 82 GLN A C 638 O O . GLN A 82 ? 0.3467 0.4224 0.4877 -0.0269 0.0622 0.0117 82 GLN A O 639 C CB . GLN A 82 ? 0.4383 0.5128 0.5707 -0.0280 0.0668 0.0096 82 GLN A CB 640 C CG . GLN A 82 ? 0.4968 0.5707 0.6193 -0.0287 0.0697 0.0101 82 GLN A CG 641 C CD . GLN A 82 ? 0.5402 0.6124 0.6640 -0.0289 0.0765 0.0133 82 GLN A CD 642 O OE1 . GLN A 82 ? 0.5817 0.6531 0.7085 -0.0293 0.0799 0.0121 82 GLN A OE1 643 N NE2 . GLN A 82 ? 0.5534 0.6252 0.6750 -0.0286 0.0788 0.0173 82 GLN A NE2 644 N N . PHE A 83 ? 0.3452 0.4223 0.4847 -0.0264 0.0535 0.0053 83 PHE A N 645 C CA . PHE A 83 ? 0.3385 0.4160 0.4870 -0.0257 0.0511 0.0046 83 PHE A CA 646 C C . PHE A 83 ? 0.3324 0.4103 0.4760 -0.0257 0.0512 0.0081 83 PHE A C 647 O O . PHE A 83 ? 0.3420 0.4203 0.4743 -0.0259 0.0498 0.0092 83 PHE A O 648 C CB . PHE A 83 ? 0.3218 0.4000 0.4727 -0.0250 0.0452 0.0002 83 PHE A CB 649 C CG . PHE A 83 ? 0.3254 0.4034 0.4855 -0.0247 0.0445 -0.0033 83 PHE A CG 650 C CD1 . PHE A 83 ? 0.3185 0.3957 0.4867 -0.0251 0.0491 -0.0026 83 PHE A CD1 651 C CD2 . PHE A 83 ? 0.3202 0.3986 0.4810 -0.0239 0.0392 -0.0073 83 PHE A CD2 652 C CE1 . PHE A 83 ? 0.3251 0.4023 0.5026 -0.0249 0.0483 -0.0059 83 PHE A CE1 653 C CE2 . PHE A 83 ? 0.3169 0.3951 0.4863 -0.0235 0.0382 -0.0106 83 PHE A CE2 654 C CZ . PHE A 83 ? 0.3120 0.3897 0.4900 -0.0240 0.0427 -0.0100 83 PHE A CZ 655 N N . THR A 84 ? 0.3271 0.4047 0.4796 -0.0254 0.0528 0.0097 84 THR A N 656 C CA . THR A 84 ? 0.3457 0.4234 0.4948 -0.0253 0.0535 0.0135 84 THR A CA 657 C C . THR A 84 ? 0.3563 0.4351 0.5015 -0.0249 0.0481 0.0120 84 THR A C 658 O O . THR A 84 ? 0.3768 0.4559 0.5141 -0.0249 0.0478 0.0147 84 THR A O 659 C CB . THR A 84 ? 0.3387 0.4158 0.4996 -0.0251 0.0568 0.0157 84 THR A CB 660 O OG1 . THR A 84 ? 0.3204 0.3981 0.4924 -0.0246 0.0534 0.0124 84 THR A OG1 661 C CG2 . THR A 84 ? 0.3301 0.4059 0.4965 -0.0255 0.0624 0.0170 84 THR A CG2 662 N N . ASP A 85 ? 0.3562 0.4354 0.5068 -0.0243 0.0440 0.0077 85 ASP A N 663 C CA . ASP A 85 ? 0.3540 0.4340 0.5020 -0.0238 0.0391 0.0059 85 ASP A CA 664 C C . ASP A 85 ? 0.3545 0.4348 0.4906 -0.0239 0.0364 0.0045 85 ASP A C 665 O O . ASP A 85 ? 0.3658 0.4459 0.5016 -0.0238 0.0350 0.0015 85 ASP A O 666 C CB . ASP A 85 ? 0.3438 0.4238 0.5030 -0.0230 0.0359 0.0018 85 ASP A CB 667 C CG . ASP A 85 ? 0.3402 0.4207 0.4969 -0.0222 0.0309 -0.0005 85 ASP A CG 668 O OD1 . ASP A 85 ? 0.3403 0.4211 0.4863 -0.0223 0.0290 -0.0002 85 ASP A OD1 669 O OD2 . ASP A 85 ? 0.3358 0.4164 0.5018 -0.0216 0.0288 -0.0028 85 ASP A OD2 670 N N . PRO A 86 ? 0.3500 0.4307 0.4766 -0.0240 0.0356 0.0067 86 PRO A N 671 C CA . PRO A 86 ? 0.3470 0.4280 0.4628 -0.0242 0.0334 0.0055 86 PRO A CA 672 C C . PRO A 86 ? 0.3448 0.4259 0.4607 -0.0234 0.0287 0.0014 86 PRO A C 673 O O . PRO A 86 ? 0.3494 0.4303 0.4599 -0.0234 0.0275 -0.0005 86 PRO A O 674 C CB . PRO A 86 ? 0.3598 0.4414 0.4676 -0.0245 0.0337 0.0089 86 PRO A CB 675 C CG . PRO A 86 ? 0.3693 0.4509 0.4842 -0.0242 0.0344 0.0110 86 PRO A CG 676 C CD . PRO A 86 ? 0.3585 0.4395 0.4844 -0.0241 0.0370 0.0105 86 PRO A CD 677 N N . GLN A 87 ? 0.3223 0.4035 0.4442 -0.0227 0.0262 0.0000 87 GLN A N 678 C CA . GLN A 87 ? 0.3281 0.4090 0.4501 -0.0217 0.0218 -0.0038 87 GLN A CA 679 C C . GLN A 87 ? 0.3559 0.4363 0.4825 -0.0213 0.0210 -0.0071 87 GLN A C 680 O O . GLN A 87 ? 0.3529 0.4330 0.4750 -0.0207 0.0183 -0.0097 87 GLN A O 681 C CB . GLN A 87 ? 0.3563 0.4373 0.4849 -0.0209 0.0198 -0.0046 87 GLN A CB 682 C CG . GLN A 87 ? 0.4091 0.4898 0.5362 -0.0198 0.0153 -0.0083 87 GLN A CG 683 C CD . GLN A 87 ? 0.4665 0.5472 0.5961 -0.0193 0.0137 -0.0082 87 GLN A CD 684 O OE1 . GLN A 87 ? 0.4628 0.5440 0.5906 -0.0199 0.0155 -0.0049 87 GLN A OE1 685 N NE2 . GLN A 87 ? 0.4964 0.5767 0.6301 -0.0181 0.0103 -0.0119 87 GLN A NE2 686 N N . LEU A 88 ? 0.3282 0.4085 0.4639 -0.0215 0.0235 -0.0068 88 LEU A N 687 C CA . LEU A 88 ? 0.3358 0.4158 0.4771 -0.0213 0.0234 -0.0095 88 LEU A CA 688 C C . LEU A 88 ? 0.3427 0.4225 0.4764 -0.0220 0.0251 -0.0090 88 LEU A C 689 O O . LEU A 88 ? 0.3325 0.4119 0.4664 -0.0215 0.0232 -0.0118 88 LEU A O 690 C CB . LEU A 88 ? 0.3198 0.3997 0.4731 -0.0216 0.0264 -0.0089 88 LEU A CB 691 C CG . LEU A 88 ? 0.3297 0.4093 0.4912 -0.0213 0.0264 -0.0118 88 LEU A CG 692 C CD1 . LEU A 88 ? 0.3210 0.4007 0.4886 -0.0199 0.0212 -0.0162 88 LEU A CD1 693 C CD2 . LEU A 88 ? 0.3243 0.4038 0.4957 -0.0220 0.0311 -0.0099 88 LEU A CD2 694 N N . ARG A 89 ? 0.3644 0.4443 0.4916 -0.0230 0.0286 -0.0055 89 ARG A N 695 C CA . ARG A 89 ? 0.3783 0.4581 0.4982 -0.0237 0.0304 -0.0051 89 ARG A CA 696 C C . ARG A 89 ? 0.3999 0.4796 0.5119 -0.0232 0.0268 -0.0073 89 ARG A C 697 O O . ARG A 89 ? 0.3824 0.4618 0.4924 -0.0232 0.0266 -0.0090 89 ARG A O 698 C CB . ARG A 89 ? 0.3918 0.4717 0.5049 -0.0247 0.0343 -0.0011 89 ARG A CB 699 C CG . ARG A 89 ? 0.4032 0.4827 0.5225 -0.0252 0.0391 0.0011 89 ARG A CG 700 C CD . ARG A 89 ? 0.4098 0.4891 0.5207 -0.0261 0.0430 0.0044 89 ARG A CD 701 N NE . ARG A 89 ? 0.4317 0.5117 0.5338 -0.0262 0.0419 0.0067 89 ARG A NE 702 C CZ . ARG A 89 ? 0.4417 0.5219 0.5447 -0.0261 0.0428 0.0098 89 ARG A CZ 703 N NH1 . ARG A 89 ? 0.4448 0.5244 0.5571 -0.0259 0.0452 0.0112 89 ARG A NH1 704 N NH2 . ARG A 89 ? 0.4382 0.5189 0.5330 -0.0261 0.0414 0.0115 89 ARG A NH2 705 N N . ARG A 90 ? 0.4072 0.4871 0.5153 -0.0227 0.0240 -0.0072 90 ARG A N 706 C CA . ARG A 90 ? 0.4311 0.5108 0.5316 -0.0222 0.0208 -0.0089 90 ARG A CA 707 C C . ARG A 90 ? 0.4282 0.5073 0.5327 -0.0209 0.0175 -0.0127 90 ARG A C 708 O O . ARG A 90 ? 0.4377 0.5163 0.5370 -0.0206 0.0162 -0.0142 90 ARG A O 709 C CB . ARG A 90 ? 0.4412 0.5213 0.5377 -0.0219 0.0191 -0.0078 90 ARG A CB 710 C CG . ARG A 90 ? 0.4850 0.5658 0.5746 -0.0230 0.0215 -0.0043 90 ARG A CG 711 C CD . ARG A 90 ? 0.5152 0.5964 0.6038 -0.0228 0.0204 -0.0026 90 ARG A CD 712 N NE . ARG A 90 ? 0.5100 0.5909 0.5947 -0.0220 0.0170 -0.0045 90 ARG A NE 713 C CZ . ARG A 90 ? 0.5235 0.6048 0.6014 -0.0222 0.0163 -0.0033 90 ARG A CZ 714 N NH1 . ARG A 90 ? 0.5197 0.6018 0.5935 -0.0232 0.0184 -0.0002 90 ARG A NH1 715 N NH2 . ARG A 90 ? 0.4765 0.5571 0.5514 -0.0214 0.0136 -0.0051 90 ARG A NH2 716 N N . ILE A 91 ? 0.4224 0.5014 0.5361 -0.0201 0.0160 -0.0143 91 ILE A N 717 C CA . ILE A 91 ? 0.4191 0.4974 0.5367 -0.0187 0.0124 -0.0181 91 ILE A CA 718 C C . ILE A 91 ? 0.4061 0.4843 0.5280 -0.0189 0.0135 -0.0194 91 ILE A C 719 O O . ILE A 91 ? 0.3999 0.4775 0.5183 -0.0182 0.0117 -0.0213 91 ILE A O 720 C CB . ILE A 91 ? 0.4219 0.5003 0.5478 -0.0177 0.0098 -0.0200 91 ILE A CB 721 C CG1 . ILE A 91 ? 0.4143 0.4925 0.5345 -0.0172 0.0079 -0.0195 91 ILE A CG1 722 C CG2 . ILE A 91 ? 0.4281 0.5059 0.5589 -0.0162 0.0061 -0.0239 91 ILE A CG2 723 C CD1 . ILE A 91 ? 0.4188 0.4971 0.5465 -0.0164 0.0059 -0.0209 91 ILE A CD1 724 N N . ILE A 92 ? 0.3858 0.4643 0.5152 -0.0197 0.0169 -0.0183 92 ILE A N 725 C CA . ILE A 92 ? 0.3889 0.4673 0.5224 -0.0200 0.0186 -0.0192 92 ILE A CA 726 C C . ILE A 92 ? 0.3917 0.4698 0.5154 -0.0207 0.0202 -0.0183 92 ILE A C 727 O O . ILE A 92 ? 0.3873 0.4650 0.5114 -0.0204 0.0194 -0.0202 92 ILE A O 728 C CB . ILE A 92 ? 0.4069 0.4854 0.5496 -0.0209 0.0227 -0.0177 92 ILE A CB 729 C CG1 . ILE A 92 ? 0.4149 0.4936 0.5687 -0.0200 0.0205 -0.0195 92 ILE A CG1 730 C CG2 . ILE A 92 ? 0.4008 0.4790 0.5468 -0.0214 0.0253 -0.0183 92 ILE A CG2 731 C CD1 . ILE A 92 ? 0.4653 0.5442 0.6302 -0.0207 0.0243 -0.0184 92 ILE A CD1 732 N N . GLY A 93 ? 0.3840 0.4624 0.4993 -0.0217 0.0221 -0.0155 93 GLY A N 733 C CA . GLY A 93 ? 0.3763 0.4546 0.4819 -0.0224 0.0233 -0.0147 93 GLY A CA 734 C C . GLY A 93 ? 0.3668 0.4445 0.4672 -0.0214 0.0196 -0.0170 93 GLY A C 735 O O . GLY A 93 ? 0.3824 0.4597 0.4796 -0.0216 0.0202 -0.0177 93 GLY A O 736 N N . ALA A 94 ? 0.3370 0.4145 0.4365 -0.0202 0.0160 -0.0179 94 ALA A N 737 C CA . ALA A 94 ? 0.3220 0.3987 0.4173 -0.0189 0.0124 -0.0201 94 ALA A CA 738 C C . ALA A 94 ? 0.3265 0.4026 0.4279 -0.0178 0.0105 -0.0230 94 ALA A C 739 O O . ALA A 94 ? 0.3420 0.4173 0.4396 -0.0173 0.0097 -0.0241 94 ALA A O 740 C CB . ALA A 94 ? 0.3078 0.3842 0.4020 -0.0178 0.0093 -0.0206 94 ALA A CB 741 N N . VAL A 95 ? 0.3109 0.3872 0.4220 -0.0173 0.0097 -0.0242 95 VAL A N 742 C CA . VAL A 95 ? 0.2928 0.3686 0.4107 -0.0160 0.0072 -0.0272 95 VAL A CA 743 C C . VAL A 95 ? 0.3005 0.3763 0.4201 -0.0168 0.0097 -0.0272 95 VAL A C 744 O O . VAL A 95 ? 0.2923 0.3673 0.4126 -0.0156 0.0074 -0.0293 95 VAL A O 745 C CB . VAL A 95 ? 0.2974 0.3736 0.4264 -0.0154 0.0058 -0.0286 95 VAL A CB 746 C CG1 . VAL A 95 ? 0.2981 0.3741 0.4355 -0.0143 0.0036 -0.0316 95 VAL A CG1 747 C CG2 . VAL A 95 ? 0.2856 0.3616 0.4127 -0.0142 0.0023 -0.0296 95 VAL A CG2 748 N N . ARG A 96 ? 0.3035 0.3798 0.4231 -0.0185 0.0144 -0.0249 96 ARG A N 749 C CA . ARG A 96 ? 0.3376 0.4138 0.4580 -0.0194 0.0174 -0.0249 96 ARG A CA 750 C C . ARG A 96 ? 0.3391 0.4147 0.4495 -0.0194 0.0170 -0.0248 96 ARG A C 751 O O . ARG A 96 ? 0.3613 0.4367 0.4717 -0.0200 0.0191 -0.0251 96 ARG A O 752 C CB . ARG A 96 ? 0.3668 0.4435 0.4882 -0.0212 0.0227 -0.0222 96 ARG A CB 753 C CG . ARG A 96 ? 0.3993 0.4763 0.5099 -0.0222 0.0244 -0.0196 96 ARG A CG 754 C CD . ARG A 96 ? 0.4210 0.4981 0.5283 -0.0238 0.0294 -0.0175 96 ARG A CD 755 N NE . ARG A 96 ? 0.4296 0.5063 0.5372 -0.0242 0.0312 -0.0187 96 ARG A NE 756 C CZ . ARG A 96 ? 0.4336 0.5100 0.5339 -0.0243 0.0307 -0.0194 96 ARG A CZ 757 N NH1 . ARG A 96 ? 0.4405 0.5170 0.5327 -0.0240 0.0284 -0.0190 96 ARG A NH1 758 N NH2 . ARG A 96 ? 0.4495 0.5255 0.5514 -0.0247 0.0327 -0.0204 96 ARG A NH2 759 N N . THR A 97 ? 0.3316 0.4070 0.4342 -0.0189 0.0148 -0.0244 97 THR A N 760 C CA . THR A 97 ? 0.3290 0.4039 0.4222 -0.0189 0.0147 -0.0242 97 THR A CA 761 C C . THR A 97 ? 0.3204 0.3941 0.4123 -0.0169 0.0103 -0.0263 97 THR A C 762 O O . THR A 97 ? 0.2955 0.3688 0.3849 -0.0158 0.0074 -0.0267 97 THR A O 763 C CB . THR A 97 ? 0.3459 0.4213 0.4309 -0.0199 0.0159 -0.0218 97 THR A CB 764 O OG1 . THR A 97 ? 0.3641 0.4404 0.4491 -0.0217 0.0202 -0.0198 97 THR A OG1 765 C CG2 . THR A 97 ? 0.3319 0.4066 0.4080 -0.0198 0.0152 -0.0219 97 THR A CG2 766 N N . LEU A 98 ? 0.3327 0.4058 0.4266 -0.0164 0.0100 -0.0277 98 LEU A N 767 C CA . LEU A 98 ? 0.3447 0.4166 0.4398 -0.0142 0.0057 -0.0300 98 LEU A CA 768 C C . LEU A 98 ? 0.3477 0.4184 0.4335 -0.0132 0.0042 -0.0298 98 LEU A C 769 O O . LEU A 98 ? 0.3649 0.4344 0.4495 -0.0112 0.0003 -0.0312 98 LEU A O 770 C CB . LEU A 98 ? 0.3324 0.4042 0.4351 -0.0139 0.0058 -0.0316 98 LEU A CB 771 C CG . LEU A 98 ? 0.3404 0.4129 0.4543 -0.0136 0.0050 -0.0329 98 LEU A CG 772 C CD1 . LEU A 98 ? 0.3311 0.4048 0.4491 -0.0158 0.0097 -0.0312 98 LEU A CD1 773 C CD2 . LEU A 98 ? 0.3146 0.3867 0.4356 -0.0124 0.0032 -0.0352 98 LEU A CD2 774 N N . GLY A 99 ? 0.3387 0.4096 0.4182 -0.0147 0.0071 -0.0282 99 GLY A N 775 C CA . GLY A 99 ? 0.3299 0.3996 0.4010 -0.0140 0.0063 -0.0279 99 GLY A CA 776 C C . GLY A 99 ? 0.3103 0.3786 0.3823 -0.0125 0.0047 -0.0293 99 GLY A C 777 O O . GLY A 99 ? 0.3053 0.3739 0.3822 -0.0131 0.0062 -0.0299 99 GLY A O 778 N N . SER A 100 ? 0.3171 0.3838 0.3845 -0.0105 0.0017 -0.0298 100 SER A N 779 C CA . SER A 100 ? 0.3261 0.3912 0.3931 -0.0087 0.0000 -0.0308 100 SER A CA 780 C C . SER A 100 ? 0.3371 0.4023 0.4127 -0.0074 -0.0025 -0.0328 100 SER A C 781 O O . SER A 100 ? 0.3399 0.4042 0.4172 -0.0063 -0.0035 -0.0336 100 SER A O 782 C CB . SER A 100 ? 0.3309 0.3940 0.3907 -0.0066 -0.0027 -0.0307 100 SER A CB 783 O OG . SER A 100 ? 0.3399 0.4028 0.4009 -0.0051 -0.0060 -0.0317 100 SER A OG 784 N N . ALA A 101 ? 0.3266 0.3928 0.4078 -0.0076 -0.0036 -0.0335 101 ALA A N 785 C CA . ALA A 101 ? 0.3264 0.3930 0.4172 -0.0067 -0.0057 -0.0355 101 ALA A CA 786 C C . ALA A 101 ? 0.3274 0.3951 0.4248 -0.0084 -0.0023 -0.0354 101 ALA A C 787 O O . ALA A 101 ? 0.3512 0.4191 0.4570 -0.0077 -0.0037 -0.0371 101 ALA A O 788 C CB . ALA A 101 ? 0.3270 0.3946 0.4228 -0.0066 -0.0074 -0.0363 101 ALA A CB 789 N N . ASN A 102 ? 0.3157 0.3839 0.4092 -0.0106 0.0020 -0.0337 102 ASN A N 790 C CA . ASN A 102 ? 0.3186 0.3875 0.4167 -0.0121 0.0056 -0.0337 102 ASN A CA 791 C C . ASN A 102 ? 0.3112 0.3788 0.4086 -0.0110 0.0048 -0.0344 102 ASN A C 792 O O . ASN A 102 ? 0.3024 0.3703 0.4056 -0.0117 0.0067 -0.0351 102 ASN A O 793 C CB . ASN A 102 ? 0.3160 0.3857 0.4094 -0.0146 0.0103 -0.0318 102 ASN A CB 794 C CG . ASN A 102 ? 0.3264 0.3976 0.4235 -0.0160 0.0125 -0.0309 102 ASN A CG 795 O OD1 . ASN A 102 ? 0.3308 0.4024 0.4366 -0.0162 0.0130 -0.0317 102 ASN A OD1 796 N ND2 . ASN A 102 ? 0.3317 0.4034 0.4224 -0.0171 0.0138 -0.0292 102 ASN A ND2 797 N N . LEU A 103 ? 0.3073 0.3735 0.3977 -0.0094 0.0023 -0.0342 103 LEU A N 798 C CA . LEU A 103 ? 0.3010 0.3657 0.3902 -0.0081 0.0016 -0.0347 103 LEU A CA 799 C C . LEU A 103 ? 0.3034 0.3676 0.4002 -0.0060 -0.0021 -0.0366 103 LEU A C 800 O O . LEU A 103 ? 0.3080 0.3724 0.4075 -0.0046 -0.0057 -0.0376 103 LEU A O 801 C CB . LEU A 103 ? 0.2889 0.3520 0.3684 -0.0068 0.0002 -0.0337 103 LEU A CB 802 C CG . LEU A 103 ? 0.2846 0.3481 0.3565 -0.0087 0.0035 -0.0319 103 LEU A CG 803 C CD1 . LEU A 103 ? 0.2774 0.3389 0.3409 -0.0070 0.0018 -0.0311 103 LEU A CD1 804 C CD2 . LEU A 103 ? 0.2706 0.3347 0.3429 -0.0108 0.0079 -0.0315 103 LEU A CD2 805 N N . PRO A 104 ? 0.3059 0.3698 0.4067 -0.0058 -0.0014 -0.0371 104 PRO A N 806 C CA . PRO A 104 ? 0.3120 0.3752 0.4195 -0.0034 -0.0056 -0.0389 104 PRO A CA 807 C C . PRO A 104 ? 0.3112 0.3725 0.4120 -0.0004 -0.0104 -0.0390 104 PRO A C 808 O O . PRO A 104 ? 0.3047 0.3649 0.3960 -0.0003 -0.0097 -0.0375 104 PRO A O 809 C CB . PRO A 104 ? 0.3185 0.3814 0.4301 -0.0038 -0.0035 -0.0391 104 PRO A CB 810 C CG . PRO A 104 ? 0.3144 0.3775 0.4198 -0.0061 0.0014 -0.0375 104 PRO A CG 811 C CD . PRO A 104 ? 0.3055 0.3697 0.4067 -0.0078 0.0031 -0.0365 104 PRO A CD 812 N N . LEU A 105 ? 0.3028 0.3635 0.4084 0.0019 -0.0152 -0.0408 105 LEU A N 813 C CA . LEU A 105 ? 0.3088 0.3677 0.4082 0.0051 -0.0201 -0.0411 105 LEU A CA 814 C C . LEU A 105 ? 0.3037 0.3602 0.3931 0.0062 -0.0194 -0.0392 105 LEU A C 815 O O . LEU A 105 ? 0.2986 0.3538 0.3791 0.0073 -0.0205 -0.0383 105 LEU A O 816 C CB . LEU A 105 ? 0.3266 0.3853 0.4334 0.0077 -0.0254 -0.0434 105 LEU A CB 817 C CG . LEU A 105 ? 0.3517 0.4083 0.4527 0.0113 -0.0312 -0.0443 105 LEU A CG 818 C CD1 . LEU A 105 ? 0.3614 0.4178 0.4560 0.0115 -0.0323 -0.0442 105 LEU A CD1 819 C CD2 . LEU A 105 ? 0.3633 0.4203 0.4737 0.0135 -0.0364 -0.0470 105 LEU A CD2 820 N N . ALA A 106 ? 0.2873 0.3433 0.3785 0.0060 -0.0176 -0.0387 106 ALA A N 821 C CA . ALA A 106 ? 0.2783 0.3321 0.3613 0.0071 -0.0167 -0.0369 106 ALA A CA 822 C C . ALA A 106 ? 0.2694 0.3232 0.3441 0.0052 -0.0128 -0.0351 106 ALA A C 823 O O . ALA A 106 ? 0.2617 0.3135 0.3279 0.0067 -0.0134 -0.0338 106 ALA A O 824 C CB . ALA A 106 ? 0.2766 0.3302 0.3644 0.0068 -0.0148 -0.0367 106 ALA A CB 825 N N . LYS A 107 ? 0.2577 0.3136 0.3352 0.0020 -0.0088 -0.0349 107 LYS A N 826 C CA . LYS A 107 ? 0.2602 0.3165 0.3308 0.0001 -0.0052 -0.0334 107 LYS A CA 827 C C . LYS A 107 ? 0.2573 0.3135 0.3228 0.0006 -0.0071 -0.0332 107 LYS A C 828 O O . LYS A 107 ? 0.2480 0.3034 0.3059 0.0003 -0.0057 -0.0318 107 LYS A O 829 C CB . LYS A 107 ? 0.2557 0.3141 0.3301 -0.0032 -0.0005 -0.0333 107 LYS A CB 830 C CG . LYS A 107 ? 0.2615 0.3197 0.3386 -0.0040 0.0021 -0.0333 107 LYS A CG 831 C CD . LYS A 107 ? 0.2757 0.3358 0.3555 -0.0072 0.0069 -0.0333 107 LYS A CD 832 C CE . LYS A 107 ? 0.2852 0.3448 0.3657 -0.0081 0.0100 -0.0332 107 LYS A CE 833 N NZ . LYS A 107 ? 0.3044 0.3659 0.3869 -0.0111 0.0147 -0.0335 107 LYS A NZ 834 N N . ARG A 108 ? 0.2548 0.3119 0.3251 0.0014 -0.0102 -0.0346 108 ARG A N 835 C CA . ARG A 108 ? 0.2686 0.3253 0.3346 0.0023 -0.0125 -0.0347 108 ARG A CA 836 C C . ARG A 108 ? 0.2740 0.3279 0.3316 0.0052 -0.0152 -0.0341 108 ARG A C 837 O O . ARG A 108 ? 0.2751 0.3282 0.3255 0.0053 -0.0146 -0.0331 108 ARG A O 838 C CB . ARG A 108 ? 0.2751 0.3329 0.3485 0.0031 -0.0161 -0.0368 108 ARG A CB 839 C CG . ARG A 108 ? 0.2830 0.3432 0.3619 0.0005 -0.0138 -0.0370 108 ARG A CG 840 C CD . ARG A 108 ? 0.2928 0.3539 0.3804 0.0016 -0.0174 -0.0393 108 ARG A CD 841 N NE . ARG A 108 ? 0.3125 0.3756 0.4095 -0.0005 -0.0147 -0.0397 108 ARG A NE 842 C CZ . ARG A 108 ? 0.3270 0.3913 0.4334 -0.0002 -0.0168 -0.0416 108 ARG A CZ 843 N NH1 . ARG A 108 ? 0.3208 0.3844 0.4283 0.0021 -0.0219 -0.0435 108 ARG A NH1 844 N NH2 . ARG A 108 ? 0.3645 0.4304 0.4792 -0.0023 -0.0136 -0.0417 108 ARG A NH2 845 N N . GLN A 109 ? 0.2809 0.3333 0.3397 0.0076 -0.0180 -0.0348 109 GLN A N 846 C CA . GLN A 109 ? 0.2916 0.3410 0.3425 0.0108 -0.0206 -0.0342 109 GLN A CA 847 C C . GLN A 109 ? 0.2884 0.3364 0.3320 0.0101 -0.0167 -0.0318 109 GLN A C 848 O O . GLN A 109 ? 0.2896 0.3356 0.3251 0.0114 -0.0169 -0.0307 109 GLN A O 849 C CB . GLN A 109 ? 0.3072 0.3554 0.3617 0.0135 -0.0244 -0.0353 109 GLN A CB 850 C CG . GLN A 109 ? 0.3311 0.3804 0.3924 0.0147 -0.0291 -0.0379 109 GLN A CG 851 C CD . GLN A 109 ? 0.3519 0.4005 0.4185 0.0171 -0.0328 -0.0392 109 GLN A CD 852 O OE1 . GLN A 109 ? 0.3658 0.4153 0.4389 0.0159 -0.0310 -0.0391 109 GLN A OE1 853 N NE2 . GLN A 109 ? 0.3696 0.4165 0.4333 0.0205 -0.0381 -0.0404 109 GLN A NE2 854 N N . GLN A 110 ? 0.2771 0.3261 0.3240 0.0080 -0.0130 -0.0311 110 GLN A N 855 C CA . GLN A 110 ? 0.2901 0.3381 0.3315 0.0069 -0.0090 -0.0292 110 GLN A CA 856 C C . GLN A 110 ? 0.2766 0.3254 0.3131 0.0052 -0.0069 -0.0284 110 GLN A C 857 O O . GLN A 110 ? 0.2640 0.3110 0.2933 0.0061 -0.0061 -0.0270 110 GLN A O 858 C CB . GLN A 110 ? 0.2997 0.3492 0.3466 0.0045 -0.0054 -0.0292 110 GLN A CB 859 C CG . GLN A 110 ? 0.3310 0.3792 0.3731 0.0038 -0.0018 -0.0275 110 GLN A CG 860 C CD . GLN A 110 ? 0.3590 0.4089 0.4062 0.0012 0.0020 -0.0278 110 GLN A CD 861 O OE1 . GLN A 110 ? 0.3617 0.4131 0.4161 0.0002 0.0019 -0.0291 110 GLN A OE1 862 N NE2 . GLN A 110 ? 0.3626 0.4119 0.4062 0.0000 0.0055 -0.0267 110 GLN A NE2 863 N N . TYR A 111 ? 0.2613 0.3127 0.3021 0.0029 -0.0062 -0.0292 111 TYR A N 864 C CA . TYR A 111 ? 0.2629 0.3155 0.3002 0.0012 -0.0045 -0.0285 111 TYR A CA 865 C C . TYR A 111 ? 0.2584 0.3090 0.2893 0.0035 -0.0071 -0.0283 111 TYR A C 866 O O . TYR A 111 ? 0.2572 0.3068 0.2819 0.0033 -0.0054 -0.0269 111 TYR A O 867 C CB . TYR A 111 ? 0.2664 0.3218 0.3100 -0.0008 -0.0041 -0.0294 111 TYR A CB 868 C CG . TYR A 111 ? 0.2716 0.3284 0.3127 -0.0028 -0.0022 -0.0286 111 TYR A CG 869 C CD1 . TYR A 111 ? 0.2710 0.3291 0.3111 -0.0054 0.0017 -0.0276 111 TYR A CD1 870 C CD2 . TYR A 111 ? 0.2764 0.3332 0.3162 -0.0019 -0.0045 -0.0290 111 TYR A CD2 871 C CE1 . TYR A 111 ? 0.2786 0.3381 0.3166 -0.0071 0.0031 -0.0268 111 TYR A CE1 872 C CE2 . TYR A 111 ? 0.2736 0.3317 0.3116 -0.0037 -0.0029 -0.0281 111 TYR A CE2 873 C CZ . TYR A 111 ? 0.2745 0.3340 0.3115 -0.0062 0.0008 -0.0269 111 TYR A CZ 874 O OH . TYR A 111 ? 0.2739 0.3347 0.3092 -0.0078 0.0023 -0.0260 111 TYR A OH 875 N N . ASN A 112 ? 0.2587 0.3087 0.2914 0.0057 -0.0113 -0.0297 112 ASN A N 876 C CA . ASN A 112 ? 0.2643 0.3125 0.2912 0.0080 -0.0141 -0.0299 112 ASN A CA 877 C C . ASN A 112 ? 0.2698 0.3146 0.2884 0.0104 -0.0139 -0.0285 112 ASN A C 878 O O . ASN A 112 ? 0.2747 0.3180 0.2868 0.0112 -0.0135 -0.0276 112 ASN A O 879 C CB . ASN A 112 ? 0.2589 0.3072 0.2899 0.0100 -0.0189 -0.0322 112 ASN A CB 880 C CG . ASN A 112 ? 0.2563 0.3077 0.2962 0.0078 -0.0189 -0.0335 112 ASN A CG 881 O OD1 . ASN A 112 ? 0.2444 0.2978 0.2856 0.0050 -0.0156 -0.0327 112 ASN A OD1 882 N ND2 . ASN A 112 ? 0.2486 0.3005 0.2948 0.0091 -0.0225 -0.0356 112 ASN A ND2 883 N N . ALA A 113 ? 0.2732 0.3168 0.2926 0.0115 -0.0140 -0.0281 113 ALA A N 884 C CA . ALA A 113 ? 0.2895 0.3297 0.3015 0.0138 -0.0133 -0.0263 113 ALA A CA 885 C C . ALA A 113 ? 0.2904 0.3304 0.2986 0.0118 -0.0085 -0.0244 113 ALA A C 886 O O . ALA A 113 ? 0.3084 0.3458 0.3094 0.0133 -0.0078 -0.0231 113 ALA A O 887 C CB . ALA A 113 ? 0.2828 0.3219 0.2974 0.0153 -0.0143 -0.0262 113 ALA A CB 888 N N . LEU A 114 ? 0.2807 0.3235 0.2937 0.0085 -0.0054 -0.0244 114 LEU A N 889 C CA . LEU A 114 ? 0.2867 0.3298 0.2970 0.0063 -0.0011 -0.0230 114 LEU A CA 890 C C . LEU A 114 ? 0.2936 0.3367 0.2995 0.0060 -0.0008 -0.0226 114 LEU A C 891 O O . LEU A 114 ? 0.3028 0.3442 0.3036 0.0062 0.0014 -0.0211 114 LEU A O 892 C CB . LEU A 114 ? 0.2772 0.3233 0.2934 0.0029 0.0016 -0.0234 114 LEU A CB 893 C CG . LEU A 114 ? 0.2845 0.3303 0.3043 0.0028 0.0029 -0.0235 114 LEU A CG 894 C CD1 . LEU A 114 ? 0.2758 0.3249 0.3021 -0.0002 0.0050 -0.0245 114 LEU A CD1 895 C CD2 . LEU A 114 ? 0.2884 0.3320 0.3039 0.0032 0.0057 -0.0219 114 LEU A CD2 896 N N . LEU A 115 ? 0.2920 0.3369 0.3005 0.0054 -0.0028 -0.0238 115 LEU A N 897 C CA . LEU A 115 ? 0.3051 0.3502 0.3102 0.0051 -0.0027 -0.0235 115 LEU A CA 898 C C . LEU A 115 ? 0.3060 0.3475 0.3038 0.0082 -0.0042 -0.0230 115 LEU A C 899 O O . LEU A 115 ? 0.3035 0.3440 0.2967 0.0082 -0.0024 -0.0219 115 LEU A O 900 C CB . LEU A 115 ? 0.3030 0.3506 0.3128 0.0040 -0.0047 -0.0249 115 LEU A CB 901 C CG . LEU A 115 ? 0.3254 0.3764 0.3424 0.0011 -0.0033 -0.0255 115 LEU A CG 902 C CD1 . LEU A 115 ? 0.3040 0.3568 0.3244 0.0003 -0.0049 -0.0264 115 LEU A CD1 903 C CD2 . LEU A 115 ? 0.3197 0.3720 0.3360 -0.0015 0.0007 -0.0242 115 LEU A CD2 904 N N . SER A 116 ? 0.3103 0.3499 0.3072 0.0111 -0.0075 -0.0238 116 SER A N 905 C CA . SER A 116 ? 0.3245 0.3605 0.3138 0.0145 -0.0092 -0.0233 116 SER A CA 906 C C . SER A 116 ? 0.3219 0.3551 0.3057 0.0153 -0.0059 -0.0210 116 SER A C 907 O O . SER A 116 ? 0.3290 0.3598 0.3064 0.0165 -0.0046 -0.0199 116 SER A O 908 C CB . SER A 116 ? 0.3411 0.3758 0.3309 0.0175 -0.0138 -0.0248 116 SER A CB 909 O OG . SER A 116 ? 0.3877 0.4189 0.3696 0.0209 -0.0157 -0.0245 116 SER A OG 910 N N . GLN A 117 ? 0.3098 0.3432 0.2965 0.0146 -0.0042 -0.0203 117 GLN A N 911 C CA . GLN A 117 ? 0.3087 0.3395 0.2912 0.0153 -0.0009 -0.0182 117 GLN A CA 912 C C . GLN A 117 ? 0.2920 0.3237 0.2738 0.0128 0.0032 -0.0171 117 GLN A C 913 O O . GLN A 117 ? 0.2878 0.3167 0.2643 0.0139 0.0055 -0.0155 117 GLN A O 914 C CB . GLN A 117 ? 0.3249 0.3559 0.3116 0.0151 -0.0002 -0.0179 117 GLN A CB 915 C CG . GLN A 117 ? 0.3614 0.3910 0.3486 0.0181 -0.0044 -0.0187 117 GLN A CG 916 C CD . GLN A 117 ? 0.3861 0.4171 0.3800 0.0171 -0.0041 -0.0191 117 GLN A CD 917 O OE1 . GLN A 117 ? 0.4010 0.4336 0.3985 0.0143 -0.0005 -0.0187 117 GLN A OE1 918 N NE2 . GLN A 117 ? 0.3943 0.4247 0.3902 0.0193 -0.0079 -0.0200 117 GLN A NE2 919 N N . MET A 118 ? 0.2728 0.3082 0.2599 0.0095 0.0042 -0.0180 118 MET A N 920 C CA . MET A 118 ? 0.2667 0.3032 0.2534 0.0070 0.0077 -0.0172 118 MET A CA 921 C C . MET A 118 ? 0.2704 0.3056 0.2522 0.0080 0.0074 -0.0168 118 MET A C 922 O O . MET A 118 ? 0.2626 0.2963 0.2412 0.0080 0.0103 -0.0155 118 MET A O 923 C CB . MET A 118 ? 0.2585 0.2993 0.2514 0.0035 0.0084 -0.0182 118 MET A CB 924 C CG . MET A 118 ? 0.2578 0.2997 0.2551 0.0020 0.0101 -0.0185 118 MET A CG 925 S SD . MET A 118 ? 0.2672 0.3134 0.2698 -0.0020 0.0122 -0.0193 118 MET A SD 926 C CE . MET A 118 ? 0.2427 0.2912 0.2488 -0.0024 0.0090 -0.0207 118 MET A CE 927 N N . SER A 119 ? 0.2792 0.3150 0.2610 0.0090 0.0041 -0.0181 119 SER A N 928 C CA . SER A 119 ? 0.3120 0.3463 0.2892 0.0102 0.0035 -0.0180 119 SER A CA 929 C C . SER A 119 ? 0.3231 0.3528 0.2927 0.0135 0.0042 -0.0167 119 SER A C 930 O O . SER A 119 ? 0.3389 0.3671 0.3048 0.0136 0.0066 -0.0156 119 SER A O 931 C CB . SER A 119 ? 0.3203 0.3556 0.2992 0.0110 -0.0005 -0.0200 119 SER A CB 932 O OG . SER A 119 ? 0.3717 0.4054 0.3461 0.0124 -0.0012 -0.0201 119 SER A OG 933 N N . ARG A 120 ? 0.3379 0.3654 0.3054 0.0161 0.0023 -0.0166 120 ARG A N 934 C CA . ARG A 120 ? 0.3537 0.3765 0.3134 0.0195 0.0030 -0.0151 120 ARG A CA 935 C C . ARG A 120 ? 0.3422 0.3635 0.3006 0.0187 0.0079 -0.0129 120 ARG A C 936 O O . ARG A 120 ? 0.3347 0.3527 0.2872 0.0204 0.0100 -0.0115 120 ARG A O 937 C CB . ARG A 120 ? 0.3932 0.4140 0.3515 0.0224 0.0000 -0.0153 120 ARG A CB 938 C CG . ARG A 120 ? 0.4477 0.4635 0.3979 0.0259 0.0012 -0.0132 120 ARG A CG 939 C CD . ARG A 120 ? 0.4895 0.5030 0.4377 0.0292 -0.0019 -0.0131 120 ARG A CD 940 N NE . ARG A 120 ? 0.5300 0.5466 0.4861 0.0277 -0.0040 -0.0144 120 ARG A NE 941 C CZ . ARG A 120 ? 0.5491 0.5673 0.5107 0.0256 -0.0014 -0.0137 120 ARG A CZ 942 N NH1 . ARG A 120 ? 0.5621 0.5792 0.5227 0.0245 0.0033 -0.0117 120 ARG A NH1 943 N NH2 . ARG A 120 ? 0.5356 0.5565 0.5042 0.0244 -0.0035 -0.0151 120 ARG A NH2 944 N N . ILE A 121 ? 0.3278 0.3512 0.2918 0.0163 0.0098 -0.0126 121 ILE A N 945 C CA . ILE A 121 ? 0.3182 0.3405 0.2821 0.0154 0.0144 -0.0108 121 ILE A CA 946 C C . ILE A 121 ? 0.3071 0.3300 0.2703 0.0137 0.0170 -0.0104 121 ILE A C 947 O O . ILE A 121 ? 0.3033 0.3232 0.2627 0.0149 0.0201 -0.0088 121 ILE A O 948 C CB . ILE A 121 ? 0.3162 0.3412 0.2869 0.0128 0.0158 -0.0112 121 ILE A CB 949 C CG1 . ILE A 121 ? 0.3269 0.3502 0.2976 0.0149 0.0144 -0.0109 121 ILE A CG1 950 C CG2 . ILE A 121 ? 0.3239 0.3488 0.2958 0.0110 0.0205 -0.0100 121 ILE A CG2 951 C CD1 . ILE A 121 ? 0.3304 0.3568 0.3084 0.0124 0.0148 -0.0119 121 ILE A CD1 952 N N . TYR A 122 ? 0.2890 0.3156 0.2562 0.0112 0.0160 -0.0119 122 TYR A N 953 C CA . TYR A 122 ? 0.2821 0.3097 0.2496 0.0094 0.0183 -0.0115 122 TYR A CA 954 C C . TYR A 122 ? 0.2927 0.3169 0.2537 0.0120 0.0182 -0.0109 122 TYR A C 955 O O . TYR A 122 ? 0.2991 0.3215 0.2581 0.0121 0.0215 -0.0096 122 TYR A O 956 C CB . TYR A 122 ? 0.2618 0.2939 0.2346 0.0064 0.0169 -0.0130 122 TYR A CB 957 C CG . TYR A 122 ? 0.2570 0.2902 0.2305 0.0047 0.0189 -0.0126 122 TYR A CG 958 C CD1 . TYR A 122 ? 0.2562 0.2885 0.2268 0.0057 0.0180 -0.0128 122 TYR A CD1 959 C CD2 . TYR A 122 ? 0.2529 0.2880 0.2301 0.0020 0.0218 -0.0123 122 TYR A CD2 960 C CE1 . TYR A 122 ? 0.2515 0.2847 0.2231 0.0042 0.0200 -0.0123 122 TYR A CE1 961 C CE2 . TYR A 122 ? 0.2519 0.2882 0.2302 0.0005 0.0234 -0.0120 122 TYR A CE2 962 C CZ . TYR A 122 ? 0.2495 0.2848 0.2251 0.0016 0.0226 -0.0119 122 TYR A CZ 963 O OH . TYR A 122 ? 0.2426 0.2790 0.2198 0.0001 0.0243 -0.0115 122 TYR A OH 964 N N . SER A 123 ? 0.3018 0.3252 0.2600 0.0141 0.0146 -0.0120 123 SER A N 965 C CA . SER A 123 ? 0.3204 0.3409 0.2724 0.0165 0.0142 -0.0119 123 SER A CA 966 C C . SER A 123 ? 0.3358 0.3509 0.2800 0.0201 0.0156 -0.0102 123 SER A C 967 O O . SER A 123 ? 0.3468 0.3591 0.2856 0.0220 0.0166 -0.0097 123 SER A O 968 C CB . SER A 123 ? 0.3375 0.3593 0.2898 0.0171 0.0096 -0.0140 123 SER A CB 969 O OG . SER A 123 ? 0.3440 0.3696 0.3016 0.0141 0.0096 -0.0149 123 SER A OG 970 N N . THR A 124 ? 0.3328 0.3465 0.2766 0.0213 0.0159 -0.0092 124 THR A N 971 C CA . THR A 124 ? 0.3557 0.3642 0.2921 0.0249 0.0175 -0.0072 124 THR A CA 972 C C . THR A 124 ? 0.3672 0.3742 0.3047 0.0242 0.0226 -0.0049 124 THR A C 973 O O . THR A 124 ? 0.3841 0.3866 0.3159 0.0270 0.0246 -0.0029 124 THR A O 974 C CB . THR A 124 ? 0.3565 0.3633 0.2898 0.0279 0.0137 -0.0075 124 THR A CB 975 O OG1 . THR A 124 ? 0.3493 0.3586 0.2891 0.0261 0.0134 -0.0077 124 THR A OG1 976 C CG2 . THR A 124 ? 0.3470 0.3548 0.2790 0.0290 0.0085 -0.0100 124 THR A CG2 977 N N . ALA A 125 ? 0.3631 0.3738 0.3080 0.0205 0.0246 -0.0053 125 ALA A N 978 C CA . ALA A 125 ? 0.3714 0.3810 0.3186 0.0195 0.0293 -0.0035 125 ALA A CA 979 C C . ALA A 125 ? 0.3690 0.3750 0.3119 0.0207 0.0333 -0.0018 125 ALA A C 980 O O . ALA A 125 ? 0.3642 0.3706 0.3057 0.0204 0.0331 -0.0024 125 ALA A O 981 C CB . ALA A 125 ? 0.3529 0.3673 0.3085 0.0153 0.0302 -0.0047 125 ALA A CB 982 N N . LYS A 126 ? 0.3836 0.3861 0.3247 0.0222 0.0371 0.0004 126 LYS A N 983 C CA . LYS A 126 ? 0.4080 0.4064 0.3450 0.0237 0.0415 0.0024 126 LYS A CA 984 C C . LYS A 126 ? 0.4005 0.3988 0.3430 0.0220 0.0465 0.0037 126 LYS A C 985 O O . LYS A 126 ? 0.3890 0.3886 0.3358 0.0210 0.0467 0.0037 126 LYS A O 986 C CB . LYS A 126 ? 0.4304 0.4231 0.3579 0.0284 0.0416 0.0043 126 LYS A CB 987 C CG . LYS A 126 ? 0.4581 0.4502 0.3792 0.0308 0.0367 0.0029 126 LYS A CG 988 C CD . LYS A 126 ? 0.4785 0.4701 0.3965 0.0310 0.0370 0.0022 126 LYS A CD 989 C CE . LYS A 126 ? 0.5101 0.5002 0.4208 0.0339 0.0323 0.0009 126 LYS A CE 990 N NZ . LYS A 126 ? 0.5072 0.5020 0.4227 0.0322 0.0269 -0.0017 126 LYS A NZ 991 N N . VAL A 127 ? 0.4127 0.4093 0.3554 0.0217 0.0506 0.0047 127 VAL A N 992 C CA . VAL A 127 ? 0.4327 0.4282 0.3801 0.0207 0.0558 0.0062 127 VAL A CA 993 C C . VAL A 127 ? 0.4859 0.4750 0.4263 0.0245 0.0598 0.0092 127 VAL A C 994 O O . VAL A 127 ? 0.4852 0.4718 0.4206 0.0261 0.0610 0.0098 127 VAL A O 995 C CB . VAL A 127 ? 0.4162 0.4150 0.3705 0.0173 0.0577 0.0050 127 VAL A CB 996 C CG1 . VAL A 127 ? 0.4122 0.4092 0.3712 0.0167 0.0634 0.0066 127 VAL A CG1 997 C CG2 . VAL A 127 ? 0.3950 0.3999 0.3559 0.0137 0.0541 0.0024 127 VAL A CG2 998 N N . CYS A 128 ? 0.5480 0.5344 0.4881 0.0261 0.0619 0.0111 128 CYS A N 999 C CA . CYS A 128 ? 0.6067 0.5866 0.5397 0.0300 0.0658 0.0143 128 CYS A CA 1000 C C . CYS A 128 ? 0.6137 0.5918 0.5522 0.0290 0.0723 0.0161 128 CYS A C 1001 O O . CYS A 128 ? 0.5945 0.5759 0.5420 0.0259 0.0733 0.0151 128 CYS A O 1002 C CB . CYS A 128 ? 0.6519 0.6292 0.5798 0.0330 0.0638 0.0157 128 CYS A CB 1003 S SG . CYS A 128 ? 0.7525 0.7317 0.6746 0.0343 0.0559 0.0135 128 CYS A SG 1004 N N . LEU A 129 ? 0.6494 0.6223 0.5826 0.0316 0.0768 0.0185 129 LEU A N 1005 C CA . LEU A 129 ? 0.6736 0.6448 0.6125 0.0307 0.0833 0.0201 129 LEU A CA 1006 C C . LEU A 129 ? 0.6870 0.6546 0.6272 0.0323 0.0873 0.0228 129 LEU A C 1007 O O . LEU A 129 ? 0.7054 0.6678 0.6371 0.0363 0.0882 0.0255 129 LEU A O 1008 C CB . LEU A 129 ? 0.6833 0.6503 0.6165 0.0327 0.0869 0.0215 129 LEU A CB 1009 C CG . LEU A 129 ? 0.6921 0.6606 0.6207 0.0327 0.0834 0.0196 129 LEU A CG 1010 C CD1 . LEU A 129 ? 0.7078 0.6713 0.6312 0.0349 0.0882 0.0215 129 LEU A CD1 1011 C CD2 . LEU A 129 ? 0.6756 0.6509 0.6129 0.0282 0.0802 0.0162 129 LEU A CD2 1012 N N . LYS A 132 ? 1.2429 1.1826 1.1360 0.0499 0.1016 0.0337 132 LYS A N 1013 C CA . LYS A 132 ? 1.2634 1.2009 1.1505 0.0528 0.0990 0.0353 132 LYS A CA 1014 C C . LYS A 132 ? 1.2263 1.1701 1.1219 0.0496 0.0939 0.0328 132 LYS A C 1015 O O . LYS A 132 ? 1.2412 1.1910 1.1432 0.0459 0.0901 0.0293 132 LYS A O 1016 C CB . LYS A 132 ? 1.2724 1.2067 1.1454 0.0569 0.0950 0.0354 132 LYS A CB 1017 N N . THR A 133 ? 1.2041 1.1463 1.0996 0.0510 0.0941 0.0348 133 THR A N 1018 C CA . THR A 133 ? 1.1594 1.1068 1.0623 0.0484 0.0896 0.0328 133 THR A CA 1019 C C . THR A 133 ? 1.1313 1.0813 1.0288 0.0492 0.0817 0.0303 133 THR A C 1020 O O . THR A 133 ? 1.1050 1.0603 1.0090 0.0465 0.0774 0.0279 133 THR A O 1021 C CB . THR A 133 ? 1.1785 1.1231 1.0836 0.0499 0.0927 0.0357 133 THR A CB 1022 O OG1 . THR A 133 ? 1.1694 1.1188 1.0809 0.0476 0.0881 0.0336 133 THR A OG1 1023 C CG2 . THR A 133 ? 1.1961 1.1337 1.0884 0.0556 0.0934 0.0394 133 THR A CG2 1024 N N . ALA A 134 ? 1.1138 1.0603 0.9998 0.0528 0.0799 0.0309 134 ALA A N 1025 C CA . ALA A 134 ? 1.0495 0.9980 0.9299 0.0538 0.0725 0.0285 134 ALA A CA 1026 C C . ALA A 134 ? 1.0033 0.9565 0.8865 0.0509 0.0693 0.0248 134 ALA A C 1027 O O . ALA A 134 ? 0.9922 0.9490 0.8752 0.0503 0.0630 0.0220 134 ALA A O 1028 C CB . ALA A 134 ? 1.0455 0.9878 0.9118 0.0594 0.0717 0.0307 134 ALA A CB 1029 N N . THR A 135 ? 0.9460 0.8991 0.8322 0.0491 0.0737 0.0248 135 THR A N 1030 C CA . THR A 135 ? 0.8956 0.8527 0.7844 0.0466 0.0714 0.0217 135 THR A CA 1031 C C . THR A 135 ? 0.8356 0.8000 0.7361 0.0416 0.0684 0.0187 135 THR A C 1032 O O . THR A 135 ? 0.8014 0.7677 0.7107 0.0390 0.0714 0.0192 135 THR A O 1033 C CB . THR A 135 ? 0.9327 0.8870 0.8214 0.0464 0.0774 0.0228 135 THR A CB 1034 O OG1 . THR A 135 ? 0.9926 0.9398 0.8700 0.0512 0.0807 0.0257 135 THR A OG1 1035 C CG2 . THR A 135 ? 0.9374 0.8953 0.8277 0.0443 0.0748 0.0198 135 THR A CG2 1036 N N . CYS A 136 ? 0.7514 0.7197 0.6520 0.0404 0.0627 0.0157 136 CYS A N 1037 C CA . CYS A 136 ? 0.6805 0.6557 0.5910 0.0360 0.0594 0.0129 136 CYS A CA 1038 C C . CYS A 136 ? 0.6207 0.5994 0.5334 0.0337 0.0572 0.0103 136 CYS A C 1039 O O . CYS A 136 ? 0.6055 0.5825 0.5113 0.0358 0.0553 0.0097 136 CYS A O 1040 C CB . CYS A 136 ? 0.6945 0.6718 0.6051 0.0363 0.0541 0.0118 136 CYS A CB 1041 S SG . CYS A 136 ? 0.7578 0.7311 0.6659 0.0392 0.0560 0.0148 136 CYS A SG 1042 N N . TRP A 137 ? 0.5366 0.5203 0.4591 0.0295 0.0575 0.0088 137 TRP A N 1043 C CA . TRP A 137 ? 0.4830 0.4705 0.4090 0.0270 0.0558 0.0066 137 TRP A CA 1044 C C . TRP A 137 ? 0.4448 0.4375 0.3742 0.0250 0.0499 0.0039 137 TRP A C 1045 O O . TRP A 137 ? 0.4195 0.4150 0.3540 0.0232 0.0486 0.0034 137 TRP A O 1046 C CB . TRP A 137 ? 0.5031 0.4927 0.4377 0.0238 0.0598 0.0067 137 TRP A CB 1047 C CG . TRP A 137 ? 0.5368 0.5218 0.4692 0.0253 0.0656 0.0089 137 TRP A CG 1048 C CD1 . TRP A 137 ? 0.5584 0.5385 0.4820 0.0288 0.0672 0.0101 137 TRP A CD1 1049 C CD2 . TRP A 137 ? 0.5571 0.5421 0.4967 0.0235 0.0708 0.0099 137 TRP A CD2 1050 N NE1 . TRP A 137 ? 0.5710 0.5477 0.4956 0.0292 0.0734 0.0120 137 TRP A NE1 1051 C CE2 . TRP A 137 ? 0.5711 0.5508 0.5059 0.0260 0.0756 0.0119 137 TRP A CE2 1052 C CE3 . TRP A 137 ? 0.5762 0.5651 0.5258 0.0201 0.0718 0.0091 137 TRP A CE3 1053 C CZ2 . TRP A 137 ? 0.5906 0.5688 0.5311 0.0251 0.0815 0.0133 137 TRP A CZ2 1054 C CZ3 . TRP A 137 ? 0.5777 0.5651 0.5329 0.0192 0.0773 0.0103 137 TRP A CZ3 1055 C CH2 . TRP A 137 ? 0.5933 0.5754 0.5442 0.0217 0.0822 0.0124 137 TRP A CH2 1056 N N . SER A 138 ? 0.4006 0.3946 0.3276 0.0251 0.0466 0.0022 138 SER A N 1057 C CA . SER A 138 ? 0.3834 0.3824 0.3145 0.0230 0.0414 -0.0002 138 SER A CA 1058 C C . SER A 138 ? 0.3508 0.3545 0.2902 0.0190 0.0420 -0.0014 138 SER A C 1059 O O . SER A 138 ? 0.3452 0.3480 0.2860 0.0184 0.0456 -0.0006 138 SER A O 1060 C CB . SER A 138 ? 0.3840 0.3820 0.3089 0.0253 0.0374 -0.0016 138 SER A CB 1061 O OG . SER A 138 ? 0.3956 0.3920 0.3180 0.0258 0.0393 -0.0016 138 SER A OG 1062 N N . LEU A 139 ? 0.3326 0.3412 0.2774 0.0164 0.0385 -0.0031 139 LEU A N 1063 C CA . LEU A 139 ? 0.3197 0.3328 0.2715 0.0129 0.0384 -0.0043 139 LEU A CA 1064 C C . LEU A 139 ? 0.3279 0.3404 0.2780 0.0133 0.0385 -0.0047 139 LEU A C 1065 O O . LEU A 139 ? 0.3262 0.3393 0.2797 0.0118 0.0413 -0.0043 139 LEU A O 1066 C CB . LEU A 139 ? 0.2975 0.3154 0.2541 0.0106 0.0344 -0.0060 139 LEU A CB 1067 C CG . LEU A 139 ? 0.2919 0.3145 0.2552 0.0071 0.0339 -0.0071 139 LEU A CG 1068 C CD1 . LEU A 139 ? 0.2809 0.3046 0.2493 0.0049 0.0374 -0.0064 139 LEU A CD1 1069 C CD2 . LEU A 139 ? 0.2800 0.3068 0.2467 0.0053 0.0299 -0.0087 139 LEU A CD2 1070 N N . ASP A 140 ? 0.3485 0.3600 0.2937 0.0152 0.0353 -0.0057 140 ASP A N 1071 C CA . ASP A 140 ? 0.3639 0.3750 0.3075 0.0157 0.0349 -0.0064 140 ASP A CA 1072 C C . ASP A 140 ? 0.3738 0.3795 0.3081 0.0197 0.0355 -0.0058 140 ASP A C 1073 O O . ASP A 140 ? 0.3621 0.3665 0.2917 0.0219 0.0323 -0.0065 140 ASP A O 1074 C CB . ASP A 140 ? 0.3796 0.3948 0.3264 0.0142 0.0302 -0.0085 140 ASP A CB 1075 C CG . ASP A 140 ? 0.4159 0.4316 0.3630 0.0140 0.0298 -0.0094 140 ASP A CG 1076 O OD1 . ASP A 140 ? 0.4291 0.4420 0.3739 0.0149 0.0332 -0.0085 140 ASP A OD1 1077 O OD2 . ASP A 140 ? 0.4199 0.4387 0.3699 0.0129 0.0262 -0.0110 140 ASP A OD2 1078 N N . PRO A 141 ? 0.3769 0.3792 0.3083 0.0209 0.0397 -0.0046 141 PRO A N 1079 C CA . PRO A 141 ? 0.3691 0.3724 0.3059 0.0187 0.0433 -0.0040 141 PRO A CA 1080 C C . PRO A 141 ? 0.3667 0.3689 0.3068 0.0178 0.0482 -0.0020 141 PRO A C 1081 O O . PRO A 141 ? 0.3673 0.3715 0.3138 0.0154 0.0504 -0.0019 141 PRO A O 1082 C CB . PRO A 141 ? 0.3760 0.3755 0.3070 0.0210 0.0450 -0.0040 141 PRO A CB 1083 C CG . PRO A 141 ? 0.3916 0.3861 0.3129 0.0250 0.0448 -0.0032 141 PRO A CG 1084 C CD . PRO A 141 ? 0.3889 0.3856 0.3104 0.0250 0.0404 -0.0040 141 PRO A CD 1085 N N . ASP A 142 ? 0.3703 0.3692 0.3063 0.0198 0.0497 -0.0006 142 ASP A N 1086 C CA . ASP A 142 ? 0.3693 0.3658 0.3072 0.0198 0.0551 0.0014 142 ASP A CA 1087 C C . ASP A 142 ? 0.3608 0.3618 0.3089 0.0160 0.0561 0.0011 142 ASP A C 1088 O O . ASP A 142 ? 0.3483 0.3494 0.3011 0.0146 0.0595 0.0015 142 ASP A O 1089 C CB . ASP A 142 ? 0.3913 0.3836 0.3232 0.0228 0.0562 0.0032 142 ASP A CB 1090 C CG . ASP A 142 ? 0.4203 0.4079 0.3413 0.0269 0.0551 0.0036 142 ASP A CG 1091 O OD1 . ASP A 142 ? 0.4262 0.4119 0.3437 0.0280 0.0562 0.0033 142 ASP A OD1 1092 O OD2 . ASP A 142 ? 0.4299 0.4157 0.3460 0.0291 0.0531 0.0041 142 ASP A OD2 1093 N N . LEU A 143 ? 0.3548 0.3593 0.3063 0.0143 0.0530 0.0001 143 LEU A N 1094 C CA . LEU A 143 ? 0.3491 0.3577 0.3095 0.0108 0.0537 -0.0004 143 LEU A CA 1095 C C . LEU A 143 ? 0.3398 0.3527 0.3061 0.0080 0.0524 -0.0018 143 LEU A C 1096 O O . LEU A 143 ? 0.3281 0.3427 0.3009 0.0058 0.0547 -0.0018 143 LEU A O 1097 C CB . LEU A 143 ? 0.3418 0.3530 0.3039 0.0098 0.0508 -0.0012 143 LEU A CB 1098 C CG . LEU A 143 ? 0.3656 0.3729 0.3232 0.0125 0.0522 0.0003 143 LEU A CG 1099 C CD1 . LEU A 143 ? 0.3625 0.3724 0.3218 0.0116 0.0488 -0.0007 143 LEU A CD1 1100 C CD2 . LEU A 143 ? 0.3707 0.3752 0.3306 0.0127 0.0576 0.0021 143 LEU A CD2 1101 N N . THR A 144 ? 0.3337 0.3479 0.2976 0.0082 0.0488 -0.0029 144 THR A N 1102 C CA . THR A 144 ? 0.3336 0.3512 0.3019 0.0060 0.0475 -0.0040 144 THR A CA 1103 C C . THR A 144 ? 0.3417 0.3573 0.3118 0.0062 0.0517 -0.0030 144 THR A C 1104 O O . THR A 144 ? 0.3340 0.3526 0.3113 0.0036 0.0525 -0.0034 144 THR A O 1105 C CB . THR A 144 ? 0.3384 0.3569 0.3032 0.0069 0.0434 -0.0052 144 THR A CB 1106 O OG1 . THR A 144 ? 0.3359 0.3566 0.3006 0.0064 0.0397 -0.0061 144 THR A OG1 1107 C CG2 . THR A 144 ? 0.3321 0.3540 0.3017 0.0048 0.0421 -0.0061 144 THR A CG2 1108 N N . ASN A 145 ? 0.3453 0.3558 0.3092 0.0092 0.0544 -0.0019 145 ASN A N 1109 C CA . ASN A 145 ? 0.3492 0.3572 0.3146 0.0096 0.0589 -0.0009 145 ASN A CA 1110 C C . ASN A 145 ? 0.3402 0.3482 0.3119 0.0081 0.0629 0.0000 145 ASN A C 1111 O O . ASN A 145 ? 0.3450 0.3542 0.3228 0.0066 0.0651 0.0000 145 ASN A O 1112 C CB . ASN A 145 ? 0.3710 0.3731 0.3273 0.0133 0.0612 0.0001 145 ASN A CB 1113 C CG . ASN A 145 ? 0.3931 0.3953 0.3449 0.0144 0.0578 -0.0012 145 ASN A CG 1114 O OD1 . ASN A 145 ? 0.3917 0.3982 0.3485 0.0121 0.0549 -0.0026 145 ASN A OD1 1115 N ND2 . ASN A 145 ? 0.4074 0.4049 0.3500 0.0179 0.0582 -0.0008 145 ASN A ND2 1116 N N . ILE A 146 ? 0.3348 0.3418 0.3056 0.0086 0.0637 0.0007 146 ILE A N 1117 C CA . ILE A 146 ? 0.3365 0.3436 0.3138 0.0072 0.0674 0.0014 146 ILE A CA 1118 C C . ILE A 146 ? 0.3254 0.3384 0.3119 0.0034 0.0652 -0.0002 146 ILE A C 1119 O O . ILE A 146 ? 0.3091 0.3230 0.3025 0.0019 0.0678 -0.0003 146 ILE A O 1120 C CB . ILE A 146 ? 0.3475 0.3522 0.3220 0.0087 0.0685 0.0025 146 ILE A CB 1121 C CG1 . ILE A 146 ? 0.3673 0.3654 0.3337 0.0125 0.0723 0.0047 146 ILE A CG1 1122 C CG2 . ILE A 146 ? 0.3391 0.3455 0.3219 0.0064 0.0709 0.0024 146 ILE A CG2 1123 C CD1 . ILE A 146 ? 0.3732 0.3685 0.3336 0.0148 0.0718 0.0058 146 ILE A CD1 1124 N N . LEU A 147 ? 0.3262 0.3432 0.3131 0.0019 0.0605 -0.0017 147 LEU A N 1125 C CA . LEU A 147 ? 0.3184 0.3410 0.3129 -0.0014 0.0582 -0.0033 147 LEU A CA 1126 C C . LEU A 147 ? 0.3243 0.3489 0.3226 -0.0026 0.0578 -0.0037 147 LEU A C 1127 O O . LEU A 147 ? 0.3157 0.3436 0.3214 -0.0050 0.0576 -0.0045 147 LEU A O 1128 C CB . LEU A 147 ? 0.3265 0.3527 0.3203 -0.0026 0.0535 -0.0046 147 LEU A CB 1129 C CG . LEU A 147 ? 0.3353 0.3617 0.3319 -0.0034 0.0549 -0.0047 147 LEU A CG 1130 C CD1 . LEU A 147 ? 0.3517 0.3740 0.3421 -0.0006 0.0562 -0.0034 147 LEU A CD1 1131 C CD2 . LEU A 147 ? 0.3444 0.3759 0.3451 -0.0061 0.0516 -0.0064 147 LEU A CD2 1132 N N . ALA A 148 ? 0.3281 0.3503 0.3214 -0.0007 0.0576 -0.0033 148 ALA A N 1133 C CA . ALA A 148 ? 0.3291 0.3528 0.3256 -0.0016 0.0572 -0.0036 148 ALA A CA 1134 C C . ALA A 148 ? 0.3308 0.3521 0.3313 -0.0014 0.0621 -0.0027 148 ALA A C 1135 O O . ALA A 148 ? 0.3289 0.3530 0.3361 -0.0033 0.0618 -0.0033 148 ALA A O 1136 C CB . ALA A 148 ? 0.3201 0.3423 0.3100 0.0002 0.0551 -0.0038 148 ALA A CB 1137 N N . SER A 149 ? 0.3401 0.3563 0.3368 0.0009 0.0664 -0.0013 149 SER A N 1138 C CA . SER A 149 ? 0.3647 0.3778 0.3642 0.0016 0.0714 -0.0003 149 SER A CA 1139 C C . SER A 149 ? 0.3721 0.3826 0.3752 0.0018 0.0764 0.0008 149 SER A C 1140 O O . SER A 149 ? 0.3923 0.4010 0.4000 0.0019 0.0806 0.0014 149 SER A O 1141 C CB . SER A 149 ? 0.3674 0.3758 0.3586 0.0047 0.0731 0.0005 149 SER A CB 1142 O OG . SER A 149 ? 0.3980 0.4019 0.3813 0.0074 0.0748 0.0018 149 SER A OG 1143 N N . SER A 150 ? 0.3662 0.3764 0.3675 0.0021 0.0760 0.0010 150 SER A N 1144 C CA . SER A 150 ? 0.3676 0.3761 0.3737 0.0019 0.0804 0.0018 150 SER A CA 1145 C C . SER A 150 ? 0.3801 0.3937 0.3971 -0.0015 0.0791 0.0001 150 SER A C 1146 O O . SER A 150 ? 0.3591 0.3777 0.3781 -0.0036 0.0743 -0.0015 150 SER A O 1147 C CB . SER A 150 ? 0.3661 0.3724 0.3669 0.0034 0.0806 0.0027 150 SER A CB 1148 O OG . SER A 150 ? 0.3555 0.3611 0.3626 0.0026 0.0841 0.0031 150 SER A OG 1149 N N . ARG A 151 ? 0.3819 0.3943 0.4062 -0.0020 0.0837 0.0005 151 ARG A N 1150 C CA . ARG A 151 ? 0.3889 0.4057 0.4241 -0.0050 0.0829 -0.0011 151 ARG A CA 1151 C C . ARG A 151 ? 0.3861 0.4009 0.4255 -0.0050 0.0868 -0.0007 151 ARG A C 1152 O O . ARG A 151 ? 0.3972 0.4143 0.4465 -0.0070 0.0879 -0.0019 151 ARG A O 1153 C CB . ARG A 151 ? 0.3990 0.4166 0.4410 -0.0060 0.0843 -0.0014 151 ARG A CB 1154 C CG . ARG A 151 ? 0.4192 0.4385 0.4575 -0.0059 0.0808 -0.0017 151 ARG A CG 1155 C CD . ARG A 151 ? 0.4396 0.4653 0.4817 -0.0087 0.0748 -0.0038 151 ARG A CD 1156 N NE . ARG A 151 ? 0.4590 0.4863 0.4954 -0.0084 0.0707 -0.0040 151 ARG A NE 1157 C CZ . ARG A 151 ? 0.4836 0.5117 0.5214 -0.0086 0.0700 -0.0040 151 ARG A CZ 1158 N NH1 . ARG A 151 ? 0.5004 0.5275 0.5449 -0.0088 0.0733 -0.0037 151 ARG A NH1 1159 N NH2 . ARG A 151 ? 0.4670 0.4966 0.4999 -0.0084 0.0661 -0.0042 151 ARG A NH2 1160 N N . SER A 152 ? 0.3740 0.3848 0.4060 -0.0026 0.0886 0.0009 152 SER A N 1161 C CA . SER A 152 ? 0.3719 0.3807 0.4071 -0.0023 0.0921 0.0015 152 SER A CA 1162 C C . SER A 152 ? 0.3595 0.3722 0.3950 -0.0040 0.0878 -0.0001 152 SER A C 1163 O O . SER A 152 ? 0.3585 0.3712 0.3860 -0.0030 0.0846 0.0000 152 SER A O 1164 C CB . SER A 152 ? 0.3755 0.3776 0.4024 0.0012 0.0965 0.0045 152 SER A CB 1165 O OG . SER A 152 ? 0.3892 0.3899 0.4168 0.0016 0.0982 0.0051 152 SER A OG 1166 N N . TYR A 153 ? 0.3427 0.3588 0.3877 -0.0066 0.0877 -0.0020 153 TYR A N 1167 C CA . TYR A 153 ? 0.3496 0.3697 0.3959 -0.0084 0.0838 -0.0040 153 TYR A CA 1168 C C . TYR A 153 ? 0.3559 0.3729 0.3953 -0.0064 0.0845 -0.0026 153 TYR A C 1169 O O . TYR A 153 ? 0.3555 0.3745 0.3900 -0.0067 0.0803 -0.0034 153 TYR A O 1170 C CB . TYR A 153 ? 0.3476 0.3707 0.4053 -0.0111 0.0846 -0.0062 153 TYR A CB 1171 C CG . TYR A 153 ? 0.3468 0.3743 0.4058 -0.0132 0.0804 -0.0087 153 TYR A CG 1172 C CD1 . TYR A 153 ? 0.3405 0.3665 0.3973 -0.0124 0.0813 -0.0083 153 TYR A CD1 1173 C CD2 . TYR A 153 ? 0.3400 0.3731 0.4023 -0.0157 0.0756 -0.0112 153 TYR A CD2 1174 C CE1 . TYR A 153 ? 0.3385 0.3682 0.3962 -0.0143 0.0778 -0.0106 153 TYR A CE1 1175 C CE2 . TYR A 153 ? 0.3309 0.3677 0.3936 -0.0175 0.0721 -0.0134 153 TYR A CE2 1176 C CZ . TYR A 153 ? 0.3325 0.3677 0.3931 -0.0168 0.0733 -0.0132 153 TYR A CZ 1177 O OH . TYR A 153 ? 0.3282 0.3668 0.3892 -0.0185 0.0702 -0.0154 153 TYR A OH 1178 N N . ALA A 154 ? 0.3510 0.3630 0.3904 -0.0044 0.0899 -0.0005 154 ALA A N 1179 C CA . ALA A 154 ? 0.3534 0.3619 0.3868 -0.0022 0.0911 0.0012 154 ALA A CA 1180 C C . ALA A 154 ? 0.3464 0.3525 0.3680 0.0003 0.0889 0.0027 154 ALA A C 1181 O O . ALA A 154 ? 0.3481 0.3541 0.3647 0.0011 0.0865 0.0029 154 ALA A O 1182 C CB . ALA A 154 ? 0.3593 0.3626 0.3957 -0.0005 0.0979 0.0034 154 ALA A CB 1183 N N . MET A 155 ? 0.3434 0.3476 0.3608 0.0017 0.0895 0.0038 155 MET A N 1184 C CA . MET A 155 ? 0.3601 0.3622 0.3665 0.0041 0.0871 0.0049 155 MET A CA 1185 C C . MET A 155 ? 0.3300 0.3371 0.3346 0.0024 0.0805 0.0027 155 MET A C 1186 O O . MET A 155 ? 0.3198 0.3263 0.3174 0.0039 0.0777 0.0030 155 MET A O 1187 C CB . MET A 155 ? 0.3926 0.3914 0.3952 0.0060 0.0895 0.0063 155 MET A CB 1188 C CG . MET A 155 ? 0.4266 0.4234 0.4180 0.0085 0.0866 0.0070 155 MET A CG 1189 S SD . MET A 155 ? 0.4973 0.4875 0.4781 0.0129 0.0890 0.0099 155 MET A SD 1190 C CE . MET A 155 ? 0.4963 0.4884 0.4808 0.0118 0.0878 0.0095 155 MET A CE 1191 N N . LEU A 156 ? 0.3090 0.3210 0.3202 -0.0004 0.0783 0.0006 156 LEU A N 1192 C CA . LEU A 156 ? 0.2969 0.3139 0.3075 -0.0023 0.0724 -0.0014 156 LEU A CA 1193 C C . LEU A 156 ? 0.2932 0.3121 0.3043 -0.0032 0.0705 -0.0023 156 LEU A C 1194 O O . LEU A 156 ? 0.3057 0.3262 0.3123 -0.0030 0.0665 -0.0029 156 LEU A O 1195 C CB . LEU A 156 ? 0.2747 0.2963 0.2928 -0.0052 0.0708 -0.0032 156 LEU A CB 1196 C CG . LEU A 156 ? 0.2677 0.2885 0.2859 -0.0048 0.0717 -0.0027 156 LEU A CG 1197 C CD1 . LEU A 156 ? 0.2596 0.2848 0.2870 -0.0077 0.0708 -0.0044 156 LEU A CD1 1198 C CD2 . LEU A 156 ? 0.2593 0.2801 0.2700 -0.0036 0.0683 -0.0025 156 LEU A CD2 1199 N N . LEU A 157 ? 0.2912 0.3097 0.3083 -0.0040 0.0734 -0.0025 157 LEU A N 1200 C CA . LEU A 157 ? 0.2915 0.3116 0.3099 -0.0049 0.0721 -0.0035 157 LEU A CA 1201 C C . LEU A 157 ? 0.2983 0.3148 0.3090 -0.0020 0.0721 -0.0017 157 LEU A C 1202 O O . LEU A 157 ? 0.2853 0.3036 0.2938 -0.0024 0.0689 -0.0026 157 LEU A O 1203 C CB . LEU A 157 ? 0.2882 0.3085 0.3152 -0.0063 0.0755 -0.0042 157 LEU A CB 1204 C CG . LEU A 157 ? 0.2947 0.3163 0.3239 -0.0072 0.0750 -0.0053 157 LEU A CG 1205 C CD1 . LEU A 157 ? 0.2983 0.3249 0.3269 -0.0093 0.0697 -0.0077 157 LEU A CD1 1206 C CD2 . LEU A 157 ? 0.2956 0.3175 0.3343 -0.0087 0.0785 -0.0064 157 LEU A CD2 1207 N N . PHE A 158 ? 0.3122 0.3233 0.3186 0.0008 0.0759 0.0008 158 PHE A N 1208 C CA . PHE A 158 ? 0.3211 0.3282 0.3195 0.0039 0.0760 0.0027 158 PHE A CA 1209 C C . PHE A 158 ? 0.3095 0.3180 0.3009 0.0047 0.0709 0.0021 158 PHE A C 1210 O O . PHE A 158 ? 0.3136 0.3221 0.3014 0.0056 0.0683 0.0021 158 PHE A O 1211 C CB . PHE A 158 ? 0.3501 0.3510 0.3445 0.0071 0.0811 0.0057 158 PHE A CB 1212 C CG . PHE A 158 ? 0.3813 0.3778 0.3663 0.0107 0.0808 0.0079 158 PHE A CG 1213 C CD1 . PHE A 158 ? 0.3996 0.3938 0.3847 0.0119 0.0826 0.0092 158 PHE A CD1 1214 C CD2 . PHE A 158 ? 0.3937 0.3886 0.3699 0.0129 0.0784 0.0084 158 PHE A CD2 1215 C CE1 . PHE A 158 ? 0.4157 0.4059 0.3921 0.0154 0.0820 0.0112 158 PHE A CE1 1216 C CE2 . PHE A 158 ? 0.4141 0.4050 0.3814 0.0164 0.0776 0.0102 158 PHE A CE2 1217 C CZ . PHE A 158 ? 0.4231 0.4118 0.3905 0.0177 0.0793 0.0117 158 PHE A CZ 1218 N N . ALA A 159 ? 0.2867 0.2963 0.2768 0.0043 0.0694 0.0016 159 ALA A N 1219 C CA . ALA A 159 ? 0.2765 0.2877 0.2610 0.0048 0.0647 0.0008 159 ALA A CA 1220 C C . ALA A 159 ? 0.2627 0.2793 0.2509 0.0020 0.0602 -0.0015 159 ALA A C 1221 O O . ALA A 159 ? 0.2584 0.2755 0.2426 0.0028 0.0569 -0.0019 159 ALA A O 1222 C CB . ALA A 159 ? 0.2617 0.2728 0.2449 0.0049 0.0646 0.0007 159 ALA A CB 1223 N N . TRP A 160 ? 0.2523 0.2728 0.2480 -0.0010 0.0603 -0.0031 160 TRP A N 1224 C CA . TRP A 160 ? 0.2424 0.2680 0.2413 -0.0036 0.0565 -0.0052 160 TRP A CA 1225 C C . TRP A 160 ? 0.2457 0.2712 0.2446 -0.0034 0.0561 -0.0055 160 TRP A C 1226 O O . TRP A 160 ? 0.2387 0.2661 0.2355 -0.0036 0.0526 -0.0064 160 TRP A O 1227 C CB . TRP A 160 ? 0.2231 0.2525 0.2299 -0.0067 0.0569 -0.0068 160 TRP A CB 1228 C CG . TRP A 160 ? 0.2133 0.2478 0.2225 -0.0093 0.0530 -0.0090 160 TRP A CG 1229 C CD1 . TRP A 160 ? 0.2036 0.2414 0.2127 -0.0106 0.0498 -0.0099 160 TRP A CD1 1230 C CD2 . TRP A 160 ? 0.2085 0.2452 0.2205 -0.0108 0.0523 -0.0104 160 TRP A CD2 1231 N NE1 . TRP A 160 ? 0.1954 0.2372 0.2067 -0.0128 0.0471 -0.0117 160 TRP A NE1 1232 C CE2 . TRP A 160 ? 0.2010 0.2422 0.2140 -0.0129 0.0486 -0.0121 160 TRP A CE2 1233 C CE3 . TRP A 160 ? 0.2100 0.2451 0.2238 -0.0105 0.0545 -0.0104 160 TRP A CE3 1234 C CZ2 . TRP A 160 ? 0.1998 0.2439 0.2151 -0.0147 0.0472 -0.0139 160 TRP A CZ2 1235 C CZ3 . TRP A 160 ? 0.2136 0.2518 0.2302 -0.0124 0.0530 -0.0123 160 TRP A CZ3 1236 C CH2 . TRP A 160 ? 0.2061 0.2487 0.2231 -0.0145 0.0494 -0.0141 160 TRP A CH2 1237 N N . GLU A 161 ? 0.2612 0.2844 0.2629 -0.0031 0.0598 -0.0048 161 GLU A N 1238 C CA . GLU A 161 ? 0.2799 0.3026 0.2822 -0.0028 0.0600 -0.0048 161 GLU A CA 1239 C C . GLU A 161 ? 0.2748 0.2942 0.2696 0.0003 0.0588 -0.0032 161 GLU A C 1240 O O . GLU A 161 ? 0.2600 0.2807 0.2540 0.0002 0.0561 -0.0040 161 GLU A O 1241 C CB . GLU A 161 ? 0.3155 0.3362 0.3230 -0.0029 0.0647 -0.0042 161 GLU A CB 1242 C CG . GLU A 161 ? 0.3667 0.3868 0.3759 -0.0027 0.0653 -0.0043 161 GLU A CG 1243 C CD . GLU A 161 ? 0.3868 0.4047 0.4017 -0.0028 0.0703 -0.0037 161 GLU A CD 1244 O OE1 . GLU A 161 ? 0.4297 0.4440 0.4439 -0.0012 0.0739 -0.0017 161 GLU A OE1 1245 O OE2 . GLU A 161 ? 0.4165 0.4361 0.4367 -0.0044 0.0707 -0.0051 161 GLU A OE2 1246 N N . GLY A 162 ? 0.2781 0.2931 0.2675 0.0031 0.0606 -0.0011 162 GLY A N 1247 C CA . GLY A 162 ? 0.2770 0.2886 0.2586 0.0064 0.0592 0.0004 162 GLY A CA 1248 C C . GLY A 162 ? 0.2680 0.2823 0.2467 0.0062 0.0539 -0.0011 162 GLY A C 1249 O O . GLY A 162 ? 0.2723 0.2865 0.2490 0.0072 0.0517 -0.0012 162 GLY A O 1250 N N . TRP A 163 ? 0.2603 0.2771 0.2392 0.0048 0.0520 -0.0022 163 TRP A N 1251 C CA . TRP A 163 ? 0.2560 0.2756 0.2331 0.0044 0.0472 -0.0036 163 TRP A CA 1252 C C . TRP A 163 ? 0.2470 0.2707 0.2287 0.0021 0.0449 -0.0054 163 TRP A C 1253 O O . TRP A 163 ? 0.2377 0.2617 0.2174 0.0029 0.0420 -0.0059 163 TRP A O 1254 C CB . TRP A 163 ? 0.2513 0.2732 0.2290 0.0031 0.0459 -0.0045 163 TRP A CB 1255 C CG . TRP A 163 ? 0.2537 0.2782 0.2301 0.0027 0.0413 -0.0059 163 TRP A CG 1256 C CD1 . TRP A 163 ? 0.2503 0.2795 0.2309 0.0000 0.0389 -0.0075 163 TRP A CD1 1257 C CD2 . TRP A 163 ? 0.2651 0.2877 0.2358 0.0053 0.0385 -0.0057 163 TRP A CD2 1258 N NE1 . TRP A 163 ? 0.2546 0.2850 0.2330 0.0006 0.0351 -0.0083 163 TRP A NE1 1259 C CE2 . TRP A 163 ? 0.2625 0.2889 0.2351 0.0038 0.0347 -0.0074 163 TRP A CE2 1260 C CE3 . TRP A 163 ? 0.2770 0.2950 0.2411 0.0089 0.0389 -0.0044 163 TRP A CE3 1261 C CZ2 . TRP A 163 ? 0.2677 0.2936 0.2366 0.0056 0.0311 -0.0080 163 TRP A CZ2 1262 C CZ3 . TRP A 163 ? 0.2835 0.3009 0.2433 0.0108 0.0350 -0.0050 163 TRP A CZ3 1263 C CH2 . TRP A 163 ? 0.2804 0.3020 0.2432 0.0090 0.0311 -0.0070 163 TRP A CH2 1264 N N . HIS A 164 ? 0.2415 0.2682 0.2295 -0.0008 0.0463 -0.0065 164 HIS A N 1265 C CA . HIS A 164 ? 0.2480 0.2786 0.2401 -0.0032 0.0443 -0.0084 164 HIS A CA 1266 C C . HIS A 164 ? 0.2604 0.2894 0.2522 -0.0020 0.0446 -0.0080 164 HIS A C 1267 O O . HIS A 164 ? 0.2628 0.2936 0.2548 -0.0023 0.0419 -0.0091 164 HIS A O 1268 C CB . HIS A 164 ? 0.2379 0.2718 0.2363 -0.0063 0.0457 -0.0098 164 HIS A CB 1269 C CG . HIS A 164 ? 0.2363 0.2734 0.2355 -0.0080 0.0436 -0.0106 164 HIS A CG 1270 N ND1 . HIS A 164 ? 0.2428 0.2787 0.2411 -0.0074 0.0447 -0.0097 164 HIS A ND1 1271 C CD2 . HIS A 164 ? 0.2403 0.2814 0.2409 -0.0100 0.0407 -0.0121 164 HIS A CD2 1272 C CE1 . HIS A 164 ? 0.2437 0.2830 0.2433 -0.0091 0.0424 -0.0107 164 HIS A CE1 1273 N NE2 . HIS A 164 ? 0.2429 0.2853 0.2437 -0.0106 0.0399 -0.0120 164 HIS A NE2 1274 N N . ASN A 165 ? 0.2695 0.2948 0.2609 -0.0003 0.0480 -0.0064 165 ASN A N 1275 C CA . ASN A 165 ? 0.2881 0.3111 0.2788 0.0012 0.0486 -0.0056 165 ASN A CA 1276 C C . ASN A 165 ? 0.2931 0.3138 0.2775 0.0042 0.0457 -0.0047 165 ASN A C 1277 O O . ASN A 165 ? 0.2964 0.3178 0.2814 0.0045 0.0437 -0.0052 165 ASN A O 1278 C CB . ASN A 165 ? 0.2872 0.3065 0.2789 0.0025 0.0532 -0.0038 165 ASN A CB 1279 C CG . ASN A 165 ? 0.2961 0.3178 0.2955 -0.0004 0.0559 -0.0052 165 ASN A CG 1280 O OD1 . ASN A 165 ? 0.2983 0.3243 0.3017 -0.0032 0.0541 -0.0075 165 ASN A OD1 1281 N ND2 . ASN A 165 ? 0.2898 0.3085 0.2912 0.0003 0.0602 -0.0037 165 ASN A ND2 1282 N N . ALA A 166 ? 0.2967 0.3147 0.2752 0.0065 0.0454 -0.0034 166 ALA A N 1283 C CA . ALA A 166 ? 0.2987 0.3143 0.2708 0.0096 0.0425 -0.0027 166 ALA A CA 1284 C C . ALA A 166 ? 0.2976 0.3168 0.2705 0.0085 0.0378 -0.0047 166 ALA A C 1285 O O . ALA A 166 ? 0.2887 0.3074 0.2603 0.0100 0.0352 -0.0049 166 ALA A O 1286 C CB . ALA A 166 ? 0.3088 0.3209 0.2745 0.0121 0.0434 -0.0012 166 ALA A CB 1287 N N . ALA A 167 ? 0.2851 0.3080 0.2607 0.0060 0.0367 -0.0062 167 ALA A N 1288 C CA . ALA A 167 ? 0.2839 0.3100 0.2605 0.0050 0.0326 -0.0080 167 ALA A CA 1289 C C . ALA A 167 ? 0.2748 0.3044 0.2571 0.0025 0.0320 -0.0094 167 ALA A C 1290 O O . ALA A 167 ? 0.2758 0.3061 0.2585 0.0030 0.0293 -0.0102 167 ALA A O 1291 C CB . ALA A 167 ? 0.2718 0.3001 0.2487 0.0035 0.0318 -0.0087 167 ALA A CB 1292 N N . GLY A 168 ? 0.2719 0.3034 0.2588 0.0000 0.0346 -0.0099 168 GLY A N 1293 C CA . GLY A 168 ? 0.2640 0.2992 0.2562 -0.0027 0.0342 -0.0116 168 GLY A CA 1294 C C . GLY A 168 ? 0.2653 0.2996 0.2594 -0.0021 0.0346 -0.0117 168 GLY A C 1295 O O . GLY A 168 ? 0.2639 0.3002 0.2600 -0.0029 0.0326 -0.0130 168 GLY A O 1296 N N . ILE A 169 ? 0.2792 0.3103 0.2729 -0.0008 0.0375 -0.0104 169 ILE A N 1297 C CA . ILE A 169 ? 0.2878 0.3181 0.2840 -0.0003 0.0383 -0.0104 169 ILE A CA 1298 C C . ILE A 169 ? 0.2944 0.3242 0.2891 0.0014 0.0350 -0.0104 169 ILE A C 1299 O O . ILE A 169 ? 0.3016 0.3337 0.3004 0.0000 0.0341 -0.0119 169 ILE A O 1300 C CB . ILE A 169 ? 0.2930 0.3197 0.2892 0.0010 0.0421 -0.0086 169 ILE A CB 1301 C CG1 . ILE A 169 ? 0.2839 0.3120 0.2840 -0.0013 0.0453 -0.0092 169 ILE A CG1 1302 C CG2 . ILE A 169 ? 0.2983 0.3241 0.2973 0.0016 0.0427 -0.0085 169 ILE A CG2 1303 C CD1 . ILE A 169 ? 0.2805 0.3048 0.2805 0.0001 0.0494 -0.0072 169 ILE A CD1 1304 N N . PRO A 170 ? 0.2965 0.3235 0.2856 0.0045 0.0330 -0.0091 170 PRO A N 1305 C CA . PRO A 170 ? 0.2999 0.3266 0.2884 0.0062 0.0296 -0.0095 170 PRO A CA 1306 C C . PRO A 170 ? 0.2904 0.3208 0.2811 0.0045 0.0262 -0.0115 170 PRO A C 1307 O O . PRO A 170 ? 0.2937 0.3246 0.2859 0.0053 0.0237 -0.0123 170 PRO A O 1308 C CB . PRO A 170 ? 0.3044 0.3269 0.2857 0.0101 0.0284 -0.0077 170 PRO A CB 1309 C CG . PRO A 170 ? 0.3180 0.3395 0.2961 0.0099 0.0305 -0.0068 170 PRO A CG 1310 C CD . PRO A 170 ? 0.3016 0.3252 0.2849 0.0067 0.0340 -0.0073 170 PRO A CD 1311 N N . LEU A 171 ? 0.2787 0.3117 0.2700 0.0023 0.0263 -0.0124 171 LEU A N 1312 C CA . LEU A 171 ? 0.2724 0.3088 0.2660 0.0007 0.0236 -0.0141 171 LEU A CA 1313 C C . LEU A 171 ? 0.2637 0.3033 0.2632 -0.0019 0.0242 -0.0156 171 LEU A C 1314 O O . LEU A 171 ? 0.2610 0.3027 0.2630 -0.0025 0.0219 -0.0168 171 LEU A O 1315 C CB . LEU A 171 ? 0.2675 0.3056 0.2600 -0.0005 0.0235 -0.0143 171 LEU A CB 1316 C CG . LEU A 171 ? 0.2777 0.3137 0.2651 0.0018 0.0215 -0.0136 171 LEU A CG 1317 C CD1 . LEU A 171 ? 0.2785 0.3161 0.2654 0.0002 0.0220 -0.0137 171 LEU A CD1 1318 C CD2 . LEU A 171 ? 0.2694 0.3058 0.2568 0.0031 0.0175 -0.0146 171 LEU A CD2 1319 N N . LYS A 172 ? 0.2555 0.2955 0.2574 -0.0034 0.0274 -0.0157 172 LYS A N 1320 C CA . LYS A 172 ? 0.2604 0.3035 0.2673 -0.0063 0.0283 -0.0174 172 LYS A CA 1321 C C . LYS A 172 ? 0.2570 0.3008 0.2671 -0.0060 0.0268 -0.0183 172 LYS A C 1322 O O . LYS A 172 ? 0.2518 0.2984 0.2645 -0.0078 0.0258 -0.0197 172 LYS A O 1323 C CB . LYS A 172 ? 0.2653 0.3085 0.2745 -0.0079 0.0319 -0.0176 172 LYS A CB 1324 C CG . LYS A 172 ? 0.2708 0.3175 0.2844 -0.0109 0.0327 -0.0196 172 LYS A CG 1325 C CD . LYS A 172 ? 0.2889 0.3361 0.3049 -0.0127 0.0359 -0.0204 172 LYS A CD 1326 C CE . LYS A 172 ? 0.2976 0.3481 0.3173 -0.0155 0.0364 -0.0226 172 LYS A CE 1327 N NZ . LYS A 172 ? 0.3084 0.3595 0.3310 -0.0172 0.0393 -0.0238 172 LYS A NZ 1328 N N . PRO A 173 ? 0.2628 0.3038 0.2729 -0.0038 0.0267 -0.0175 173 PRO A N 1329 C CA . PRO A 173 ? 0.2648 0.3067 0.2788 -0.0037 0.0252 -0.0185 173 PRO A CA 1330 C C . PRO A 173 ? 0.2626 0.3058 0.2765 -0.0031 0.0216 -0.0192 173 PRO A C 1331 O O . PRO A 173 ? 0.2574 0.3029 0.2756 -0.0046 0.0210 -0.0206 173 PRO A O 1332 C CB . PRO A 173 ? 0.2710 0.3095 0.2844 -0.0009 0.0253 -0.0172 173 PRO A CB 1333 C CG . PRO A 173 ? 0.2832 0.3187 0.2909 0.0010 0.0260 -0.0152 173 PRO A CG 1334 C CD . PRO A 173 ? 0.2672 0.3044 0.2742 -0.0012 0.0280 -0.0156 173 PRO A CD 1335 N N . LEU A 174 ? 0.2609 0.3026 0.2702 -0.0012 0.0195 -0.0183 174 LEU A N 1336 C CA . LEU A 174 ? 0.2583 0.3011 0.2678 -0.0006 0.0160 -0.0191 174 LEU A CA 1337 C C . LEU A 174 ? 0.2470 0.2934 0.2589 -0.0036 0.0165 -0.0202 174 LEU A C 1338 O O . LEU A 174 ? 0.2292 0.2775 0.2446 -0.0042 0.0147 -0.0213 174 LEU A O 1339 C CB . LEU A 174 ? 0.2767 0.3170 0.2804 0.0020 0.0139 -0.0181 174 LEU A CB 1340 C CG . LEU A 174 ? 0.2988 0.3351 0.2985 0.0055 0.0131 -0.0167 174 LEU A CG 1341 C CD1 . LEU A 174 ? 0.3143 0.3486 0.3079 0.0079 0.0110 -0.0161 174 LEU A CD1 1342 C CD2 . LEU A 174 ? 0.3150 0.3510 0.3181 0.0070 0.0106 -0.0174 174 LEU A CD2 1343 N N . TYR A 175 ? 0.2302 0.2775 0.2404 -0.0053 0.0188 -0.0198 175 TYR A N 1344 C CA . TYR A 175 ? 0.2299 0.2803 0.2415 -0.0079 0.0191 -0.0205 175 TYR A CA 1345 C C . TYR A 175 ? 0.2341 0.2871 0.2505 -0.0103 0.0204 -0.0219 175 TYR A C 1346 O O . TYR A 175 ? 0.2272 0.2825 0.2456 -0.0117 0.0198 -0.0225 175 TYR A O 1347 C CB . TYR A 175 ? 0.2274 0.2780 0.2361 -0.0090 0.0210 -0.0198 175 TYR A CB 1348 C CG . TYR A 175 ? 0.2231 0.2767 0.2325 -0.0110 0.0204 -0.0202 175 TYR A CG 1349 C CD1 . TYR A 175 ? 0.2262 0.2796 0.2338 -0.0100 0.0182 -0.0198 175 TYR A CD1 1350 C CD2 . TYR A 175 ? 0.2137 0.2700 0.2254 -0.0137 0.0221 -0.0210 175 TYR A CD2 1351 C CE1 . TYR A 175 ? 0.2228 0.2788 0.2314 -0.0117 0.0177 -0.0200 175 TYR A CE1 1352 C CE2 . TYR A 175 ? 0.2196 0.2784 0.2315 -0.0153 0.0215 -0.0212 175 TYR A CE2 1353 C CZ . TYR A 175 ? 0.2180 0.2767 0.2287 -0.0143 0.0194 -0.0205 175 TYR A CZ 1354 O OH . TYR A 175 ? 0.2184 0.2794 0.2296 -0.0158 0.0189 -0.0204 175 TYR A OH 1355 N N . GLU A 176 ? 0.2415 0.2938 0.2598 -0.0106 0.0224 -0.0222 176 GLU A N 1356 C CA . GLU A 176 ? 0.2552 0.3095 0.2779 -0.0125 0.0238 -0.0236 176 GLU A CA 1357 C C . GLU A 176 ? 0.2468 0.3016 0.2731 -0.0117 0.0216 -0.0242 176 GLU A C 1358 O O . GLU A 176 ? 0.2382 0.2952 0.2674 -0.0135 0.0220 -0.0252 176 GLU A O 1359 C CB . GLU A 176 ? 0.2793 0.3325 0.3038 -0.0126 0.0262 -0.0238 176 GLU A CB 1360 C CG . GLU A 176 ? 0.3164 0.3688 0.3385 -0.0131 0.0284 -0.0233 176 GLU A CG 1361 C CD . GLU A 176 ? 0.3556 0.4066 0.3801 -0.0130 0.0308 -0.0236 176 GLU A CD 1362 O OE1 . GLU A 176 ? 0.3556 0.4072 0.3841 -0.0135 0.0312 -0.0247 176 GLU A OE1 1363 O OE2 . GLU A 176 ? 0.3471 0.3964 0.3700 -0.0125 0.0324 -0.0227 176 GLU A OE2 1364 N N . ASP A 177 ? 0.2516 0.3041 0.2775 -0.0090 0.0193 -0.0237 177 ASP A N 1365 C CA . ASP A 177 ? 0.2630 0.3158 0.2929 -0.0080 0.0169 -0.0245 177 ASP A CA 1366 C C . ASP A 177 ? 0.2497 0.3041 0.2800 -0.0084 0.0149 -0.0248 177 ASP A C 1367 O O . ASP A 177 ? 0.2473 0.3034 0.2824 -0.0092 0.0144 -0.0258 177 ASP A O 1368 C CB . ASP A 177 ? 0.2801 0.3299 0.3089 -0.0047 0.0145 -0.0238 177 ASP A CB 1369 C CG . ASP A 177 ? 0.3026 0.3509 0.3330 -0.0042 0.0163 -0.0235 177 ASP A CG 1370 O OD1 . ASP A 177 ? 0.3161 0.3657 0.3493 -0.0065 0.0193 -0.0242 177 ASP A OD1 1371 O OD2 . ASP A 177 ? 0.3159 0.3615 0.3446 -0.0014 0.0146 -0.0226 177 ASP A OD2 1372 N N . PHE A 178 ? 0.2343 0.2881 0.2598 -0.0078 0.0140 -0.0239 178 PHE A N 1373 C CA . PHE A 178 ? 0.2222 0.2775 0.2479 -0.0082 0.0123 -0.0241 178 PHE A CA 1374 C C . PHE A 178 ? 0.2135 0.2718 0.2417 -0.0112 0.0144 -0.0245 178 PHE A C 1375 O O . PHE A 178 ? 0.2130 0.2729 0.2449 -0.0118 0.0135 -0.0251 178 PHE A O 1376 C CB . PHE A 178 ? 0.2202 0.2744 0.2403 -0.0073 0.0115 -0.0230 178 PHE A CB 1377 C CG . PHE A 178 ? 0.2237 0.2801 0.2440 -0.0088 0.0113 -0.0230 178 PHE A CG 1378 C CD1 . PHE A 178 ? 0.2226 0.2797 0.2453 -0.0082 0.0088 -0.0236 178 PHE A CD1 1379 C CD2 . PHE A 178 ? 0.2205 0.2783 0.2391 -0.0110 0.0137 -0.0224 178 PHE A CD2 1380 C CE1 . PHE A 178 ? 0.2189 0.2779 0.2423 -0.0097 0.0089 -0.0234 178 PHE A CE1 1381 C CE2 . PHE A 178 ? 0.2222 0.2821 0.2411 -0.0123 0.0135 -0.0222 178 PHE A CE2 1382 C CZ . PHE A 178 ? 0.2198 0.2802 0.2411 -0.0117 0.0113 -0.0226 178 PHE A CZ 1383 N N . THR A 179 ? 0.2101 0.2691 0.2365 -0.0130 0.0172 -0.0242 179 THR A N 1384 C CA . THR A 179 ? 0.2029 0.2646 0.2306 -0.0157 0.0192 -0.0246 179 THR A CA 1385 C C . THR A 179 ? 0.1961 0.2589 0.2290 -0.0166 0.0200 -0.0256 179 THR A C 1386 O O . THR A 179 ? 0.1872 0.2519 0.2221 -0.0178 0.0203 -0.0258 179 THR A O 1387 C CB . THR A 179 ? 0.2048 0.2669 0.2297 -0.0173 0.0219 -0.0245 179 THR A CB 1388 O OG1 . THR A 179 ? 0.2149 0.2761 0.2357 -0.0166 0.0213 -0.0235 179 THR A OG1 1389 C CG2 . THR A 179 ? 0.2051 0.2698 0.2307 -0.0199 0.0237 -0.0250 179 THR A CG2 1390 N N . ALA A 180 ? 0.2006 0.2623 0.2360 -0.0159 0.0206 -0.0263 180 ALA A N 1391 C CA . ALA A 180 ? 0.1994 0.2620 0.2404 -0.0167 0.0216 -0.0274 180 ALA A CA 1392 C C . ALA A 180 ? 0.2028 0.2657 0.2479 -0.0157 0.0191 -0.0277 180 ALA A C 1393 O O . ALA A 180 ? 0.2022 0.2666 0.2510 -0.0170 0.0202 -0.0282 180 ALA A O 1394 C CB . ALA A 180 ? 0.2007 0.2618 0.2438 -0.0159 0.0224 -0.0280 180 ALA A CB 1395 N N . LEU A 181 ? 0.2149 0.2762 0.2593 -0.0132 0.0159 -0.0274 181 LEU A N 1396 C CA . LEU A 181 ? 0.2177 0.2792 0.2662 -0.0121 0.0131 -0.0280 181 LEU A CA 1397 C C . LEU A 181 ? 0.2229 0.2860 0.2710 -0.0132 0.0130 -0.0276 181 LEU A C 1398 O O . LEU A 181 ? 0.2283 0.2927 0.2818 -0.0137 0.0127 -0.0281 181 LEU A O 1399 C CB . LEU A 181 ? 0.2250 0.2843 0.2722 -0.0091 0.0094 -0.0280 181 LEU A CB 1400 C CG . LEU A 181 ? 0.2270 0.2845 0.2758 -0.0074 0.0088 -0.0283 181 LEU A CG 1401 C CD1 . LEU A 181 ? 0.2398 0.2948 0.2843 -0.0044 0.0055 -0.0278 181 LEU A CD1 1402 C CD2 . LEU A 181 ? 0.2341 0.2924 0.2910 -0.0075 0.0083 -0.0297 181 LEU A CD2 1403 N N . SER A 182 ? 0.2214 0.2845 0.2638 -0.0136 0.0132 -0.0265 182 SER A N 1404 C CA . SER A 182 ? 0.2240 0.2888 0.2658 -0.0147 0.0133 -0.0259 182 SER A CA 1405 C C . SER A 182 ? 0.2178 0.2846 0.2625 -0.0172 0.0163 -0.0259 182 SER A C 1406 O O . SER A 182 ? 0.2193 0.2872 0.2676 -0.0176 0.0160 -0.0258 182 SER A O 1407 C CB . SER A 182 ? 0.2295 0.2940 0.2648 -0.0150 0.0137 -0.0247 182 SER A CB 1408 O OG . SER A 182 ? 0.2342 0.3001 0.2691 -0.0158 0.0134 -0.0240 182 SER A OG 1409 N N . ASN A 183 ? 0.2117 0.2789 0.2547 -0.0186 0.0191 -0.0260 183 ASN A N 1410 C CA . ASN A 183 ? 0.2217 0.2906 0.2664 -0.0208 0.0221 -0.0261 183 ASN A CA 1411 C C . ASN A 183 ? 0.2303 0.2994 0.2820 -0.0207 0.0225 -0.0270 183 ASN A C 1412 O O . ASN A 183 ? 0.2289 0.2992 0.2832 -0.0218 0.0240 -0.0267 183 ASN A O 1413 C CB . ASN A 183 ? 0.2131 0.2822 0.2548 -0.0222 0.0248 -0.0265 183 ASN A CB 1414 C CG . ASN A 183 ? 0.2194 0.2891 0.2552 -0.0230 0.0252 -0.0256 183 ASN A CG 1415 O OD1 . ASN A 183 ? 0.2220 0.2925 0.2560 -0.0231 0.0241 -0.0246 183 ASN A OD1 1416 N ND2 . ASN A 183 ? 0.2128 0.2822 0.2459 -0.0237 0.0267 -0.0262 183 ASN A ND2 1417 N N . GLU A 184 ? 0.2423 0.3100 0.2971 -0.0192 0.0213 -0.0280 184 GLU A N 1418 C CA . GLU A 184 ? 0.2569 0.3248 0.3193 -0.0190 0.0214 -0.0290 184 GLU A CA 1419 C C . GLU A 184 ? 0.2585 0.3270 0.3249 -0.0185 0.0197 -0.0288 184 GLU A C 1420 O O . GLU A 184 ? 0.2591 0.3287 0.3306 -0.0196 0.0216 -0.0290 184 GLU A O 1421 C CB . GLU A 184 ? 0.2755 0.3418 0.3406 -0.0171 0.0195 -0.0300 184 GLU A CB 1422 C CG . GLU A 184 ? 0.3261 0.3926 0.3999 -0.0168 0.0194 -0.0312 184 GLU A CG 1423 C CD . GLU A 184 ? 0.3493 0.4142 0.4260 -0.0150 0.0176 -0.0321 184 GLU A CD 1424 O OE1 . GLU A 184 ? 0.3661 0.4298 0.4384 -0.0145 0.0178 -0.0317 184 GLU A OE1 1425 O OE2 . GLU A 184 ? 0.3652 0.4301 0.4492 -0.0140 0.0160 -0.0331 184 GLU A OE2 1426 N N . ALA A 185 ? 0.2497 0.3176 0.3139 -0.0170 0.0163 -0.0285 185 ALA A N 1427 C CA . ALA A 185 ? 0.2649 0.3333 0.3327 -0.0163 0.0142 -0.0286 185 ALA A CA 1428 C C . ALA A 185 ? 0.2646 0.3347 0.3324 -0.0182 0.0166 -0.0274 185 ALA A C 1429 O O . ALA A 185 ? 0.2810 0.3519 0.3550 -0.0186 0.0173 -0.0276 185 ALA A O 1430 C CB . ALA A 185 ? 0.2627 0.3300 0.3269 -0.0143 0.0104 -0.0285 185 ALA A CB 1431 N N . TYR A 186 ? 0.2606 0.3311 0.3215 -0.0192 0.0179 -0.0261 186 TYR A N 1432 C CA . TYR A 186 ? 0.2645 0.3365 0.3244 -0.0208 0.0197 -0.0247 186 TYR A CA 1433 C C . TYR A 186 ? 0.2702 0.3431 0.3318 -0.0227 0.0237 -0.0244 186 TYR A C 1434 O O . TYR A 186 ? 0.2631 0.3371 0.3262 -0.0236 0.0253 -0.0233 186 TYR A O 1435 C CB . TYR A 186 ? 0.2675 0.3396 0.3200 -0.0210 0.0192 -0.0234 186 TYR A CB 1436 C CG . TYR A 186 ? 0.2824 0.3539 0.3349 -0.0194 0.0158 -0.0234 186 TYR A CG 1437 C CD1 . TYR A 186 ? 0.2857 0.3580 0.3420 -0.0193 0.0150 -0.0230 186 TYR A CD1 1438 C CD2 . TYR A 186 ? 0.2974 0.3674 0.3464 -0.0178 0.0135 -0.0240 186 TYR A CD2 1439 C CE1 . TYR A 186 ? 0.2890 0.3606 0.3456 -0.0177 0.0119 -0.0233 186 TYR A CE1 1440 C CE2 . TYR A 186 ? 0.3091 0.3783 0.3577 -0.0161 0.0104 -0.0241 186 TYR A CE2 1441 C CZ . TYR A 186 ? 0.3017 0.3718 0.3542 -0.0162 0.0096 -0.0239 186 TYR A CZ 1442 O OH . TYR A 186 ? 0.3335 0.4028 0.3858 -0.0146 0.0066 -0.0244 186 TYR A OH 1443 N N . LYS A 187 ? 0.2789 0.3515 0.3402 -0.0231 0.0255 -0.0253 187 LYS A N 1444 C CA . LYS A 187 ? 0.3189 0.3921 0.3819 -0.0248 0.0294 -0.0254 187 LYS A CA 1445 C C . LYS A 187 ? 0.3311 0.4045 0.4027 -0.0246 0.0302 -0.0257 187 LYS A C 1446 O O . LYS A 187 ? 0.3317 0.4057 0.4047 -0.0259 0.0335 -0.0250 187 LYS A O 1447 C CB . LYS A 187 ? 0.3277 0.4004 0.3891 -0.0253 0.0311 -0.0266 187 LYS A CB 1448 C CG . LYS A 187 ? 0.3624 0.4354 0.4159 -0.0262 0.0318 -0.0261 187 LYS A CG 1449 C CD . LYS A 187 ? 0.3949 0.4674 0.4475 -0.0267 0.0337 -0.0275 187 LYS A CD 1450 C CE . LYS A 187 ? 0.4350 0.5075 0.4808 -0.0271 0.0335 -0.0275 187 LYS A CE 1451 N NZ . LYS A 187 ? 0.4732 0.5450 0.5194 -0.0273 0.0349 -0.0290 187 LYS A NZ 1452 N N . GLN A 188 ? 0.3494 0.4220 0.4266 -0.0230 0.0273 -0.0268 188 GLN A N 1453 C CA . GLN A 188 ? 0.3948 0.4677 0.4813 -0.0227 0.0277 -0.0274 188 GLN A CA 1454 C C . GLN A 188 ? 0.4059 0.4795 0.4940 -0.0231 0.0279 -0.0261 188 GLN A C 1455 O O . GLN A 188 ? 0.4277 0.5017 0.5226 -0.0236 0.0300 -0.0259 188 GLN A O 1456 C CB . GLN A 188 ? 0.4275 0.4994 0.5198 -0.0208 0.0239 -0.0292 188 GLN A CB 1457 C CG . GLN A 188 ? 0.4587 0.5299 0.5532 -0.0206 0.0247 -0.0305 188 GLN A CG 1458 C CD . GLN A 188 ? 0.4944 0.5645 0.5924 -0.0183 0.0204 -0.0320 188 GLN A CD 1459 O OE1 . GLN A 188 ? 0.5097 0.5789 0.6021 -0.0172 0.0182 -0.0320 188 GLN A OE1 1460 N NE2 . GLN A 188 ? 0.5099 0.5802 0.6172 -0.0175 0.0191 -0.0332 188 GLN A NE2 1461 N N . ASP A 189 ? 0.3891 0.4630 0.4713 -0.0228 0.0260 -0.0250 189 ASP A N 1462 C CA . ASP A 189 ? 0.3826 0.4573 0.4654 -0.0232 0.0263 -0.0234 189 ASP A CA 1463 C C . ASP A 189 ? 0.3548 0.4302 0.4332 -0.0250 0.0303 -0.0214 189 ASP A C 1464 O O . ASP A 189 ? 0.3482 0.4242 0.4273 -0.0254 0.0311 -0.0197 189 ASP A O 1465 C CB . ASP A 189 ? 0.3734 0.4479 0.4519 -0.0222 0.0227 -0.0230 189 ASP A CB 1466 C CG . ASP A 189 ? 0.3964 0.4702 0.4793 -0.0202 0.0185 -0.0249 189 ASP A CG 1467 O OD1 . ASP A 189 ? 0.4070 0.4808 0.4983 -0.0197 0.0181 -0.0260 189 ASP A OD1 1468 O OD2 . ASP A 189 ? 0.4121 0.4851 0.4900 -0.0190 0.0157 -0.0252 189 ASP A OD2 1469 N N . GLY A 190 ? 0.3392 0.4146 0.4132 -0.0260 0.0328 -0.0216 190 GLY A N 1470 C CA . GLY A 190 ? 0.3133 0.3893 0.3825 -0.0276 0.0365 -0.0200 190 GLY A CA 1471 C C . GLY A 190 ? 0.3117 0.3883 0.3716 -0.0281 0.0359 -0.0190 190 GLY A C 1472 O O . GLY A 190 ? 0.3019 0.3791 0.3572 -0.0293 0.0385 -0.0177 190 GLY A O 1473 N N . PHE A 191 ? 0.2913 0.3676 0.3482 -0.0272 0.0326 -0.0196 191 PHE A N 1474 C CA . PHE A 191 ? 0.2900 0.3668 0.3388 -0.0277 0.0320 -0.0191 191 PHE A CA 1475 C C . PHE A 191 ? 0.2834 0.3599 0.3291 -0.0283 0.0334 -0.0205 191 PHE A C 1476 O O . PHE A 191 ? 0.2927 0.3682 0.3421 -0.0278 0.0332 -0.0221 191 PHE A O 1477 C CB . PHE A 191 ? 0.2855 0.3619 0.3329 -0.0265 0.0282 -0.0190 191 PHE A CB 1478 C CG . PHE A 191 ? 0.2868 0.3636 0.3368 -0.0260 0.0269 -0.0177 191 PHE A CG 1479 C CD1 . PHE A 191 ? 0.2831 0.3609 0.3292 -0.0266 0.0273 -0.0158 191 PHE A CD1 1480 C CD2 . PHE A 191 ? 0.2929 0.3691 0.3495 -0.0247 0.0251 -0.0185 191 PHE A CD2 1481 C CE1 . PHE A 191 ? 0.2826 0.3607 0.3315 -0.0262 0.0262 -0.0145 191 PHE A CE1 1482 C CE2 . PHE A 191 ? 0.2878 0.3644 0.3473 -0.0243 0.0239 -0.0175 191 PHE A CE2 1483 C CZ . PHE A 191 ? 0.2864 0.3640 0.3421 -0.0250 0.0245 -0.0154 191 PHE A CZ 1484 N N . THR A 192 ? 0.2858 0.3630 0.3250 -0.0295 0.0346 -0.0201 192 THR A N 1485 C CA . THR A 192 ? 0.2844 0.3613 0.3206 -0.0301 0.0358 -0.0217 192 THR A CA 1486 C C . THR A 192 ? 0.2720 0.3479 0.3081 -0.0290 0.0332 -0.0228 192 THR A C 1487 O O . THR A 192 ? 0.2694 0.3447 0.3065 -0.0290 0.0340 -0.0243 192 THR A O 1488 C CB . THR A 192 ? 0.2929 0.3709 0.3222 -0.0314 0.0371 -0.0213 192 THR A CB 1489 O OG1 . THR A 192 ? 0.3061 0.3847 0.3319 -0.0311 0.0348 -0.0200 192 THR A OG1 1490 C CG2 . THR A 192 ? 0.3152 0.3938 0.3436 -0.0324 0.0402 -0.0204 192 THR A CG2 1491 N N . ASP A 193 ? 0.2484 0.3242 0.2834 -0.0280 0.0304 -0.0219 193 ASP A N 1492 C CA . ASP A 193 ? 0.2396 0.3142 0.2741 -0.0267 0.0281 -0.0227 193 ASP A CA 1493 C C . ASP A 193 ? 0.2313 0.3057 0.2657 -0.0255 0.0252 -0.0216 193 ASP A C 1494 O O . ASP A 193 ? 0.2272 0.3025 0.2619 -0.0258 0.0251 -0.0203 193 ASP A O 1495 C CB . ASP A 193 ? 0.2477 0.3224 0.2773 -0.0274 0.0288 -0.0232 193 ASP A CB 1496 C CG . ASP A 193 ? 0.2589 0.3349 0.2837 -0.0284 0.0288 -0.0221 193 ASP A CG 1497 O OD1 . ASP A 193 ? 0.2643 0.3403 0.2879 -0.0277 0.0267 -0.0210 193 ASP A OD1 1498 O OD2 . ASP A 193 ? 0.2713 0.3483 0.2934 -0.0298 0.0307 -0.0224 193 ASP A OD2 1499 N N . THR A 194 ? 0.2161 0.2890 0.2499 -0.0240 0.0230 -0.0221 194 THR A N 1500 C CA . THR A 194 ? 0.2134 0.2859 0.2468 -0.0227 0.0204 -0.0214 194 THR A CA 1501 C C . THR A 194 ? 0.2093 0.2828 0.2386 -0.0235 0.0204 -0.0200 194 THR A C 1502 O O . THR A 194 ? 0.2112 0.2851 0.2415 -0.0231 0.0191 -0.0191 194 THR A O 1503 C CB . THR A 194 ? 0.2163 0.2868 0.2486 -0.0208 0.0183 -0.0221 194 THR A CB 1504 O OG1 . THR A 194 ? 0.2221 0.2916 0.2584 -0.0199 0.0180 -0.0233 194 THR A OG1 1505 C CG2 . THR A 194 ? 0.2130 0.2828 0.2449 -0.0193 0.0156 -0.0215 194 THR A CG2 1506 N N . GLY A 195 ? 0.2107 0.2847 0.2359 -0.0245 0.0217 -0.0199 195 GLY A N 1507 C CA . GLY A 195 ? 0.2130 0.2882 0.2347 -0.0254 0.0216 -0.0187 195 GLY A CA 1508 C C . GLY A 195 ? 0.2189 0.2958 0.2416 -0.0263 0.0223 -0.0174 195 GLY A C 1509 O O . GLY A 195 ? 0.2139 0.2915 0.2355 -0.0263 0.0213 -0.0161 195 GLY A O 1510 N N . ALA A 196 ? 0.2142 0.2914 0.2389 -0.0271 0.0242 -0.0177 196 ALA A N 1511 C CA . ALA A 196 ? 0.2145 0.2929 0.2404 -0.0278 0.0253 -0.0163 196 ALA A CA 1512 C C . ALA A 196 ? 0.2177 0.2958 0.2479 -0.0267 0.0237 -0.0155 196 ALA A C 1513 O O . ALA A 196 ? 0.2137 0.2927 0.2441 -0.0270 0.0237 -0.0139 196 ALA A O 1514 C CB . ALA A 196 ? 0.2185 0.2972 0.2458 -0.0287 0.0281 -0.0168 196 ALA A CB 1515 N N . TYR A 197 ? 0.2224 0.2992 0.2564 -0.0254 0.0223 -0.0168 197 TYR A N 1516 C CA . TYR A 197 ? 0.2283 0.3048 0.2666 -0.0243 0.0204 -0.0166 197 TYR A CA 1517 C C . TYR A 197 ? 0.2164 0.2928 0.2520 -0.0236 0.0183 -0.0157 197 TYR A C 1518 O O . TYR A 197 ? 0.2153 0.2922 0.2529 -0.0235 0.0177 -0.0146 197 TYR A O 1519 C CB . TYR A 197 ? 0.2398 0.3148 0.2822 -0.0228 0.0189 -0.0184 197 TYR A CB 1520 C CG . TYR A 197 ? 0.2560 0.3305 0.3020 -0.0213 0.0161 -0.0187 197 TYR A CG 1521 C CD1 . TYR A 197 ? 0.2613 0.3365 0.3125 -0.0215 0.0163 -0.0181 197 TYR A CD1 1522 C CD2 . TYR A 197 ? 0.2611 0.3341 0.3053 -0.0197 0.0134 -0.0197 197 TYR A CD2 1523 C CE1 . TYR A 197 ? 0.2775 0.3522 0.3325 -0.0201 0.0137 -0.0187 197 TYR A CE1 1524 C CE2 . TYR A 197 ? 0.2756 0.3480 0.3228 -0.0182 0.0108 -0.0203 197 TYR A CE2 1525 C CZ . TYR A 197 ? 0.2854 0.3588 0.3382 -0.0185 0.0109 -0.0199 197 TYR A CZ 1526 O OH . TYR A 197 ? 0.3183 0.3912 0.3746 -0.0171 0.0082 -0.0208 197 TYR A OH 1527 N N . TRP A 198 ? 0.2095 0.2852 0.2409 -0.0232 0.0175 -0.0162 198 TRP A N 1528 C CA . TRP A 198 ? 0.2110 0.2864 0.2398 -0.0226 0.0158 -0.0155 198 TRP A CA 1529 C C . TRP A 198 ? 0.2084 0.2855 0.2357 -0.0239 0.0166 -0.0137 198 TRP A C 1530 O O . TRP A 198 ? 0.2029 0.2803 0.2313 -0.0234 0.0155 -0.0127 198 TRP A O 1531 C CB . TRP A 198 ? 0.2054 0.2798 0.2300 -0.0222 0.0156 -0.0162 198 TRP A CB 1532 C CG . TRP A 198 ? 0.2054 0.2777 0.2307 -0.0204 0.0142 -0.0176 198 TRP A CG 1533 C CD1 . TRP A 198 ? 0.2063 0.2778 0.2355 -0.0194 0.0130 -0.0186 198 TRP A CD1 1534 C CD2 . TRP A 198 ? 0.2075 0.2781 0.2293 -0.0195 0.0138 -0.0181 198 TRP A CD2 1535 N NE1 . TRP A 198 ? 0.2116 0.2811 0.2396 -0.0177 0.0117 -0.0196 198 TRP A NE1 1536 C CE2 . TRP A 198 ? 0.2132 0.2820 0.2366 -0.0177 0.0123 -0.0193 198 TRP A CE2 1537 C CE3 . TRP A 198 ? 0.2085 0.2789 0.2264 -0.0199 0.0147 -0.0177 198 TRP A CE3 1538 C CZ2 . TRP A 198 ? 0.2134 0.2800 0.2338 -0.0162 0.0118 -0.0197 198 TRP A CZ2 1539 C CZ3 . TRP A 198 ? 0.2082 0.2765 0.2239 -0.0186 0.0144 -0.0182 198 TRP A CZ3 1540 C CH2 . TRP A 198 ? 0.2067 0.2731 0.2233 -0.0167 0.0131 -0.0191 198 TRP A CH2 1541 N N . ARG A 199 ? 0.2153 0.2936 0.2401 -0.0253 0.0185 -0.0132 199 ARG A N 1542 C CA . ARG A 199 ? 0.2289 0.3088 0.2516 -0.0264 0.0192 -0.0114 199 ARG A CA 1543 C C . ARG A 199 ? 0.2298 0.3103 0.2562 -0.0264 0.0197 -0.0099 199 ARG A C 1544 O O . ARG A 199 ? 0.2367 0.3182 0.2625 -0.0267 0.0194 -0.0081 199 ARG A O 1545 C CB . ARG A 199 ? 0.2206 0.3016 0.2395 -0.0277 0.0210 -0.0115 199 ARG A CB 1546 C CG . ARG A 199 ? 0.2234 0.3040 0.2391 -0.0278 0.0206 -0.0128 199 ARG A CG 1547 C CD . ARG A 199 ? 0.2225 0.3043 0.2344 -0.0292 0.0219 -0.0130 199 ARG A CD 1548 N NE . ARG A 199 ? 0.2273 0.3091 0.2396 -0.0299 0.0241 -0.0138 199 ARG A NE 1549 C CZ . ARG A 199 ? 0.2285 0.3094 0.2414 -0.0299 0.0250 -0.0157 199 ARG A CZ 1550 N NH1 . ARG A 199 ? 0.2164 0.2962 0.2293 -0.0293 0.0241 -0.0168 199 ARG A NH1 1551 N NH2 . ARG A 199 ? 0.2224 0.3034 0.2360 -0.0305 0.0272 -0.0162 199 ARG A NH2 1552 N N . SER A 200 ? 0.2479 0.3279 0.2786 -0.0262 0.0205 -0.0106 200 SER A N 1553 C CA . SER A 200 ? 0.2596 0.3401 0.2947 -0.0263 0.0214 -0.0092 200 SER A CA 1554 C C . SER A 200 ? 0.2698 0.3502 0.3082 -0.0253 0.0195 -0.0085 200 SER A C 1555 O O . SER A 200 ? 0.2600 0.3409 0.3015 -0.0255 0.0202 -0.0069 200 SER A O 1556 C CB . SER A 200 ? 0.2575 0.3373 0.2975 -0.0261 0.0227 -0.0104 200 SER A CB 1557 O OG . SER A 200 ? 0.2601 0.3389 0.3041 -0.0248 0.0204 -0.0121 200 SER A OG 1558 N N . TRP A 201 ? 0.2880 0.3675 0.3257 -0.0243 0.0171 -0.0098 201 TRP A N 1559 C CA . TRP A 201 ? 0.3135 0.3927 0.3536 -0.0233 0.0151 -0.0095 201 TRP A CA 1560 C C . TRP A 201 ? 0.3123 0.3926 0.3506 -0.0239 0.0153 -0.0072 201 TRP A C 1561 O O . TRP A 201 ? 0.3236 0.4039 0.3647 -0.0234 0.0142 -0.0066 201 TRP A O 1562 C CB . TRP A 201 ? 0.3383 0.4160 0.3764 -0.0220 0.0129 -0.0112 201 TRP A CB 1563 C CG . TRP A 201 ? 0.3728 0.4491 0.4126 -0.0210 0.0121 -0.0134 201 TRP A CG 1564 C CD1 . TRP A 201 ? 0.3844 0.4607 0.4290 -0.0209 0.0126 -0.0142 201 TRP A CD1 1565 C CD2 . TRP A 201 ? 0.4038 0.4785 0.4409 -0.0197 0.0105 -0.0150 201 TRP A CD2 1566 N NE1 . TRP A 201 ? 0.3897 0.4646 0.4348 -0.0197 0.0112 -0.0162 201 TRP A NE1 1567 C CE2 . TRP A 201 ? 0.4075 0.4812 0.4477 -0.0188 0.0099 -0.0167 201 TRP A CE2 1568 C CE3 . TRP A 201 ? 0.4164 0.4900 0.4488 -0.0190 0.0096 -0.0150 201 TRP A CE3 1569 C CZ2 . TRP A 201 ? 0.4258 0.4977 0.4641 -0.0173 0.0082 -0.0183 201 TRP A CZ2 1570 C CZ3 . TRP A 201 ? 0.4267 0.4984 0.4572 -0.0175 0.0084 -0.0166 201 TRP A CZ3 1571 C CH2 . TRP A 201 ? 0.4241 0.4950 0.4573 -0.0166 0.0076 -0.0181 201 TRP A CH2 1572 N N . TYR A 202 ? 0.2887 0.3700 0.3224 -0.0251 0.0166 -0.0061 202 TYR A N 1573 C CA . TYR A 202 ? 0.2833 0.3659 0.3153 -0.0256 0.0166 -0.0039 202 TYR A CA 1574 C C . TYR A 202 ? 0.3059 0.3895 0.3390 -0.0263 0.0185 -0.0016 202 TYR A C 1575 O O . TYR A 202 ? 0.3068 0.3914 0.3387 -0.0266 0.0184 0.0004 202 TYR A O 1576 C CB . TYR A 202 ? 0.2616 0.3447 0.2880 -0.0261 0.0162 -0.0040 202 TYR A CB 1577 C CG . TYR A 202 ? 0.2424 0.3243 0.2682 -0.0252 0.0145 -0.0055 202 TYR A CG 1578 C CD1 . TYR A 202 ? 0.2297 0.3102 0.2545 -0.0247 0.0144 -0.0076 202 TYR A CD1 1579 C CD2 . TYR A 202 ? 0.2334 0.3153 0.2597 -0.0247 0.0131 -0.0047 202 TYR A CD2 1580 C CE1 . TYR A 202 ? 0.2237 0.3028 0.2475 -0.0236 0.0130 -0.0088 202 TYR A CE1 1581 C CE2 . TYR A 202 ? 0.2170 0.2975 0.2425 -0.0237 0.0119 -0.0061 202 TYR A CE2 1582 C CZ . TYR A 202 ? 0.2166 0.2956 0.2406 -0.0232 0.0119 -0.0080 202 TYR A CZ 1583 O OH . TYR A 202 ? 0.1962 0.2737 0.2189 -0.0221 0.0110 -0.0091 202 TYR A OH 1584 N N . ASN A 203 ? 0.3212 0.4044 0.3566 -0.0265 0.0202 -0.0020 203 ASN A N 1585 C CA . ASN A 203 ? 0.3661 0.4499 0.4028 -0.0271 0.0226 0.0000 203 ASN A CA 1586 C C . ASN A 203 ? 0.3650 0.4501 0.3964 -0.0278 0.0232 0.0024 203 ASN A C 1587 O O . ASN A 203 ? 0.3736 0.4591 0.4063 -0.0277 0.0237 0.0049 203 ASN A O 1588 C CB . ASN A 203 ? 0.4033 0.4868 0.4473 -0.0265 0.0227 0.0008 203 ASN A CB 1589 C CG . ASN A 203 ? 0.4481 0.5317 0.4946 -0.0269 0.0257 0.0029 203 ASN A CG 1590 O OD1 . ASN A 203 ? 0.4744 0.5584 0.5235 -0.0268 0.0263 0.0052 203 ASN A OD1 1591 N ND2 . ASN A 203 ? 0.4721 0.5554 0.5179 -0.0274 0.0279 0.0021 203 ASN A ND2 1592 N N . SER A 204 ? 0.3720 0.4574 0.3975 -0.0284 0.0230 0.0015 204 SER A N 1593 C CA . SER A 204 ? 0.3888 0.4754 0.4086 -0.0290 0.0233 0.0032 204 SER A CA 1594 C C . SER A 204 ? 0.3851 0.4717 0.4009 -0.0298 0.0252 0.0020 204 SER A C 1595 O O . SER A 204 ? 0.3940 0.4803 0.4082 -0.0300 0.0246 -0.0003 204 SER A O 1596 C CB . SER A 204 ? 0.4054 0.4928 0.4222 -0.0290 0.0209 0.0028 204 SER A CB 1597 O OG . SER A 204 ? 0.4527 0.5397 0.4734 -0.0282 0.0190 0.0027 204 SER A OG 1598 N N . PRO A 205 ? 0.3907 0.4775 0.4047 -0.0301 0.0276 0.0037 205 PRO A N 1599 C CA . PRO A 205 ? 0.3905 0.4771 0.4002 -0.0308 0.0296 0.0024 205 PRO A CA 1600 C C . PRO A 205 ? 0.3772 0.4649 0.3808 -0.0314 0.0280 0.0013 205 PRO A C 1601 O O . PRO A 205 ? 0.3870 0.4746 0.3873 -0.0320 0.0289 -0.0005 205 PRO A O 1602 C CB . PRO A 205 ? 0.3971 0.4837 0.4052 -0.0309 0.0324 0.0050 205 PRO A CB 1603 C CG . PRO A 205 ? 0.4077 0.4948 0.4171 -0.0304 0.0312 0.0080 205 PRO A CG 1604 C CD . PRO A 205 ? 0.3995 0.4864 0.4147 -0.0299 0.0288 0.0070 205 PRO A CD 1605 N N . THR A 206 ? 0.3687 0.4572 0.3714 -0.0311 0.0255 0.0023 206 THR A N 1606 C CA . THR A 206 ? 0.3531 0.4428 0.3507 -0.0315 0.0238 0.0015 206 THR A CA 1607 C C . THR A 206 ? 0.3448 0.4346 0.3443 -0.0314 0.0213 -0.0001 206 THR A C 1608 O O . THR A 206 ? 0.3355 0.4263 0.3322 -0.0316 0.0196 -0.0006 206 THR A O 1609 C CB . THR A 206 ? 0.3661 0.4570 0.3605 -0.0314 0.0231 0.0045 206 THR A CB 1610 O OG1 . THR A 206 ? 0.4086 0.5007 0.3982 -0.0318 0.0212 0.0035 206 THR A OG1 1611 C CG2 . THR A 206 ? 0.3517 0.4426 0.3507 -0.0306 0.0217 0.0066 206 THR A CG2 1612 N N . PHE A 207 ? 0.3191 0.4076 0.3234 -0.0308 0.0213 -0.0011 207 PHE A N 1613 C CA . PHE A 207 ? 0.2985 0.3865 0.3047 -0.0304 0.0194 -0.0025 207 PHE A CA 1614 C C . PHE A 207 ? 0.2974 0.3860 0.3003 -0.0309 0.0185 -0.0044 207 PHE A C 1615 O O . PHE A 207 ? 0.3020 0.3912 0.3046 -0.0308 0.0168 -0.0041 207 PHE A O 1616 C CB . PHE A 207 ? 0.2848 0.3712 0.2951 -0.0298 0.0198 -0.0040 207 PHE A CB 1617 C CG . PHE A 207 ? 0.2654 0.3509 0.2777 -0.0289 0.0180 -0.0049 207 PHE A CG 1618 C CD1 . PHE A 207 ? 0.2598 0.3456 0.2737 -0.0284 0.0165 -0.0035 207 PHE A CD1 1619 C CD2 . PHE A 207 ? 0.2542 0.3384 0.2668 -0.0286 0.0180 -0.0072 207 PHE A CD2 1620 C CE1 . PHE A 207 ? 0.2576 0.3423 0.2730 -0.0276 0.0151 -0.0045 207 PHE A CE1 1621 C CE2 . PHE A 207 ? 0.2474 0.3304 0.2612 -0.0276 0.0166 -0.0079 207 PHE A CE2 1622 C CZ . PHE A 207 ? 0.2415 0.3248 0.2566 -0.0271 0.0152 -0.0066 207 PHE A CZ 1623 N N . GLU A 208 ? 0.2956 0.3839 0.2966 -0.0315 0.0198 -0.0063 208 GLU A N 1624 C CA . GLU A 208 ? 0.3073 0.3959 0.3061 -0.0320 0.0192 -0.0084 208 GLU A CA 1625 C C . GLU A 208 ? 0.3085 0.3989 0.3039 -0.0326 0.0179 -0.0078 208 GLU A C 1626 O O . GLU A 208 ? 0.2886 0.3794 0.2841 -0.0327 0.0164 -0.0086 208 GLU A O 1627 C CB . GLU A 208 ? 0.3401 0.4281 0.3379 -0.0326 0.0210 -0.0106 208 GLU A CB 1628 C CG . GLU A 208 ? 0.3611 0.4473 0.3626 -0.0319 0.0219 -0.0115 208 GLU A CG 1629 C CD . GLU A 208 ? 0.3904 0.4760 0.3913 -0.0324 0.0236 -0.0138 208 GLU A CD 1630 O OE1 . GLU A 208 ? 0.4177 0.5034 0.4173 -0.0328 0.0233 -0.0155 208 GLU A OE1 1631 O OE2 . GLU A 208 ? 0.3890 0.4739 0.3912 -0.0324 0.0253 -0.0140 208 GLU A OE2 1632 N N . ASP A 209 ? 0.3001 0.3915 0.2924 -0.0329 0.0184 -0.0063 209 ASP A N 1633 C CA . ASP A 209 ? 0.3231 0.4162 0.3118 -0.0332 0.0168 -0.0055 209 ASP A CA 1634 C C . ASP A 209 ? 0.2945 0.3883 0.2856 -0.0326 0.0146 -0.0036 209 ASP A C 1635 O O . ASP A 209 ? 0.2779 0.3729 0.2680 -0.0328 0.0127 -0.0039 209 ASP A O 1636 C CB . ASP A 209 ? 0.3533 0.4470 0.3379 -0.0333 0.0180 -0.0038 209 ASP A CB 1637 C CG . ASP A 209 ? 0.3917 0.4851 0.3728 -0.0340 0.0200 -0.0058 209 ASP A CG 1638 O OD1 . ASP A 209 ? 0.4057 0.4990 0.3868 -0.0345 0.0199 -0.0087 209 ASP A OD1 1639 O OD2 . ASP A 209 ? 0.4507 0.5439 0.4290 -0.0339 0.0218 -0.0045 209 ASP A OD2 1640 N N . ASP A 210 ? 0.2834 0.3764 0.2779 -0.0319 0.0149 -0.0016 210 ASP A N 1641 C CA . ASP A 210 ? 0.2796 0.3730 0.2770 -0.0313 0.0132 0.0000 210 ASP A CA 1642 C C . ASP A 210 ? 0.2627 0.3557 0.2624 -0.0312 0.0119 -0.0017 210 ASP A C 1643 O O . ASP A 210 ? 0.2551 0.3490 0.2555 -0.0312 0.0102 -0.0010 210 ASP A O 1644 C CB . ASP A 210 ? 0.2985 0.3908 0.2998 -0.0306 0.0140 0.0018 210 ASP A CB 1645 C CG . ASP A 210 ? 0.3359 0.4284 0.3357 -0.0306 0.0155 0.0040 210 ASP A CG 1646 O OD1 . ASP A 210 ? 0.3587 0.4524 0.3538 -0.0310 0.0153 0.0048 210 ASP A OD1 1647 O OD2 . ASP A 210 ? 0.3482 0.4397 0.3514 -0.0302 0.0167 0.0050 210 ASP A OD2 1648 N N . LEU A 211 ? 0.2535 0.3450 0.2543 -0.0312 0.0130 -0.0038 211 LEU A N 1649 C CA . LEU A 211 ? 0.2468 0.3375 0.2493 -0.0310 0.0124 -0.0054 211 LEU A CA 1650 C C . LEU A 211 ? 0.2455 0.3375 0.2461 -0.0317 0.0115 -0.0068 211 LEU A C 1651 O O . LEU A 211 ? 0.2294 0.3216 0.2318 -0.0316 0.0104 -0.0070 211 LEU A O 1652 C CB . LEU A 211 ? 0.2495 0.3383 0.2530 -0.0306 0.0138 -0.0072 211 LEU A CB 1653 C CG . LEU A 211 ? 0.2432 0.3305 0.2495 -0.0297 0.0143 -0.0065 211 LEU A CG 1654 C CD1 . LEU A 211 ? 0.2482 0.3338 0.2550 -0.0294 0.0155 -0.0084 211 LEU A CD1 1655 C CD2 . LEU A 211 ? 0.2465 0.3332 0.2555 -0.0288 0.0131 -0.0056 211 LEU A CD2 1656 N N . GLU A 212 ? 0.2626 0.3554 0.2599 -0.0325 0.0121 -0.0079 212 GLU A N 1657 C CA . GLU A 212 ? 0.2830 0.3771 0.2786 -0.0333 0.0112 -0.0097 212 GLU A CA 1658 C C . GLU A 212 ? 0.2805 0.3765 0.2756 -0.0333 0.0089 -0.0082 212 GLU A C 1659 O O . GLU A 212 ? 0.2778 0.3747 0.2744 -0.0336 0.0075 -0.0094 212 GLU A O 1660 C CB . GLU A 212 ? 0.3209 0.4153 0.3128 -0.0340 0.0125 -0.0113 212 GLU A CB 1661 C CG . GLU A 212 ? 0.3786 0.4745 0.3687 -0.0349 0.0115 -0.0136 212 GLU A CG 1662 C CD . GLU A 212 ? 0.4253 0.5207 0.4191 -0.0349 0.0110 -0.0153 212 GLU A CD 1663 O OE1 . GLU A 212 ? 0.4573 0.5508 0.4537 -0.0346 0.0126 -0.0160 212 GLU A OE1 1664 O OE2 . GLU A 212 ? 0.4761 0.5730 0.4706 -0.0353 0.0091 -0.0159 212 GLU A OE2 1665 N N . HIS A 213 ? 0.2764 0.3731 0.2700 -0.0330 0.0085 -0.0057 213 HIS A N 1666 C CA A HIS A 213 ? 0.2768 0.3752 0.2700 -0.0329 0.0062 -0.0039 213 HIS A CA 1667 C CA B HIS A 213 ? 0.2812 0.3797 0.2744 -0.0328 0.0061 -0.0039 213 HIS A CA 1668 C C . HIS A 213 ? 0.2671 0.3653 0.2652 -0.0324 0.0050 -0.0032 213 HIS A C 1669 O O . HIS A 213 ? 0.2775 0.3771 0.2767 -0.0325 0.0030 -0.0032 213 HIS A O 1670 C CB A HIS A 213 ? 0.2825 0.3813 0.2733 -0.0324 0.0064 -0.0009 213 HIS A CB 1671 C CB B HIS A 213 ? 0.2936 0.3924 0.2845 -0.0324 0.0064 -0.0009 213 HIS A CB 1672 C CG A HIS A 213 ? 0.2953 0.3948 0.2803 -0.0328 0.0070 -0.0012 213 HIS A CG 1673 C CG B HIS A 213 ? 0.3110 0.4116 0.3007 -0.0322 0.0040 0.0011 213 HIS A CG 1674 N ND1 A HIS A 213 ? 0.2978 0.3964 0.2806 -0.0326 0.0092 0.0001 213 HIS A ND1 1675 N ND1 B HIS A 213 ? 0.3200 0.4222 0.3050 -0.0324 0.0025 0.0005 213 HIS A ND1 1676 C CD2 A HIS A 213 ? 0.2966 0.3975 0.2776 -0.0333 0.0057 -0.0028 213 HIS A CD2 1677 C CD2 B HIS A 213 ? 0.3170 0.4180 0.3096 -0.0315 0.0027 0.0036 213 HIS A CD2 1678 C CE1 A HIS A 213 ? 0.3002 0.3995 0.2773 -0.0330 0.0094 -0.0005 213 HIS A CE1 1679 C CE1 B HIS A 213 ? 0.3252 0.4288 0.3101 -0.0319 0.0002 0.0028 213 HIS A CE1 1680 N NE2 A HIS A 213 ? 0.3101 0.4109 0.2859 -0.0334 0.0072 -0.0024 213 HIS A NE2 1681 N NE2 B HIS A 213 ? 0.3245 0.4274 0.3142 -0.0314 0.0004 0.0048 213 HIS A NE2 1682 N N . LEU A 214 ? 0.2548 0.3512 0.2560 -0.0318 0.0063 -0.0027 214 LEU A N 1683 C CA . LEU A 214 ? 0.2451 0.3408 0.2507 -0.0312 0.0057 -0.0023 214 LEU A CA 1684 C C . LEU A 214 ? 0.2350 0.3305 0.2419 -0.0316 0.0056 -0.0047 214 LEU A C 1685 O O . LEU A 214 ? 0.2521 0.3484 0.2615 -0.0316 0.0042 -0.0045 214 LEU A O 1686 C CB . LEU A 214 ? 0.2379 0.3314 0.2457 -0.0304 0.0072 -0.0018 214 LEU A CB 1687 C CG . LEU A 214 ? 0.2512 0.3448 0.2601 -0.0299 0.0072 0.0006 214 LEU A CG 1688 C CD1 . LEU A 214 ? 0.2479 0.3394 0.2586 -0.0292 0.0087 0.0001 214 LEU A CD1 1689 C CD2 . LEU A 214 ? 0.2538 0.3482 0.2654 -0.0295 0.0057 0.0026 214 LEU A CD2 1690 N N . TYR A 215 ? 0.2346 0.3289 0.2404 -0.0318 0.0071 -0.0068 215 TYR A N 1691 C CA . TYR A 215 ? 0.2383 0.3322 0.2458 -0.0321 0.0074 -0.0091 215 TYR A CA 1692 C C . TYR A 215 ? 0.2483 0.3446 0.2558 -0.0329 0.0055 -0.0100 215 TYR A C 1693 O O . TYR A 215 ? 0.2446 0.3410 0.2555 -0.0330 0.0050 -0.0108 215 TYR A O 1694 C CB . TYR A 215 ? 0.2385 0.3309 0.2450 -0.0323 0.0094 -0.0111 215 TYR A CB 1695 C CG . TYR A 215 ? 0.2411 0.3324 0.2504 -0.0322 0.0100 -0.0128 215 TYR A CG 1696 C CD1 . TYR A 215 ? 0.2466 0.3359 0.2585 -0.0312 0.0108 -0.0122 215 TYR A CD1 1697 C CD2 . TYR A 215 ? 0.2395 0.3318 0.2491 -0.0331 0.0099 -0.0149 215 TYR A CD2 1698 C CE1 . TYR A 215 ? 0.2465 0.3345 0.2609 -0.0311 0.0118 -0.0134 215 TYR A CE1 1699 C CE2 . TYR A 215 ? 0.2445 0.3358 0.2574 -0.0331 0.0108 -0.0163 215 TYR A CE2 1700 C CZ . TYR A 215 ? 0.2474 0.3365 0.2627 -0.0320 0.0119 -0.0153 215 TYR A CZ 1701 O OH . TYR A 215 ? 0.2513 0.3390 0.2697 -0.0318 0.0131 -0.0164 215 TYR A OH 1702 N N . GLN A 216 ? 0.2549 0.3529 0.2587 -0.0335 0.0044 -0.0099 216 GLN A N 1703 C CA . GLN A 216 ? 0.2724 0.3728 0.2758 -0.0341 0.0021 -0.0108 216 GLN A CA 1704 C C . GLN A 216 ? 0.2617 0.3633 0.2686 -0.0337 0.0000 -0.0094 216 GLN A C 1705 O O . GLN A 216 ? 0.2563 0.3592 0.2657 -0.0341 -0.0015 -0.0108 216 GLN A O 1706 C CB . GLN A 216 ? 0.3128 0.4147 0.3106 -0.0344 0.0012 -0.0105 216 GLN A CB 1707 C CG . GLN A 216 ? 0.3601 0.4616 0.3547 -0.0350 0.0028 -0.0130 216 GLN A CG 1708 C CD . GLN A 216 ? 0.4204 0.5228 0.4090 -0.0351 0.0027 -0.0123 216 GLN A CD 1709 O OE1 . GLN A 216 ? 0.4549 0.5581 0.4413 -0.0347 0.0014 -0.0098 216 GLN A OE1 1710 N NE2 . GLN A 216 ? 0.4303 0.5321 0.4161 -0.0357 0.0044 -0.0144 216 GLN A NE2 1711 N N . GLN A 217 ? 0.2558 0.3569 0.2636 -0.0330 0.0000 -0.0066 217 GLN A N 1712 C CA . GLN A 217 ? 0.2580 0.3600 0.2697 -0.0326 -0.0018 -0.0049 217 GLN A CA 1713 C C . GLN A 217 ? 0.2389 0.3394 0.2558 -0.0323 -0.0007 -0.0058 217 GLN A C 1714 O O . GLN A 217 ? 0.2320 0.3334 0.2530 -0.0323 -0.0021 -0.0056 217 GLN A O 1715 C CB . GLN A 217 ? 0.2809 0.3826 0.2921 -0.0318 -0.0018 -0.0017 217 GLN A CB 1716 C CG . GLN A 217 ? 0.3209 0.4238 0.3270 -0.0319 -0.0024 -0.0003 217 GLN A CG 1717 C CD . GLN A 217 ? 0.3590 0.4614 0.3656 -0.0311 -0.0020 0.0028 217 GLN A CD 1718 O OE1 . GLN A 217 ? 0.3897 0.4928 0.3994 -0.0307 -0.0034 0.0047 217 GLN A OE1 1719 N NE2 . GLN A 217 ? 0.3776 0.4788 0.3817 -0.0310 0.0000 0.0034 217 GLN A NE2 1720 N N . LEU A 218 ? 0.2194 0.3175 0.2362 -0.0321 0.0017 -0.0069 218 LEU A N 1721 C CA . LEU A 218 ? 0.2175 0.3137 0.2384 -0.0317 0.0031 -0.0075 218 LEU A CA 1722 C C . LEU A 218 ? 0.2186 0.3146 0.2415 -0.0322 0.0038 -0.0101 218 LEU A C 1723 O O . LEU A 218 ? 0.2105 0.3056 0.2377 -0.0320 0.0045 -0.0105 218 LEU A O 1724 C CB . LEU A 218 ? 0.2098 0.3033 0.2297 -0.0309 0.0053 -0.0070 218 LEU A CB 1725 C CG . LEU A 218 ? 0.2074 0.3008 0.2263 -0.0303 0.0050 -0.0047 218 LEU A CG 1726 C CD1 . LEU A 218 ? 0.2111 0.3021 0.2283 -0.0296 0.0069 -0.0051 218 LEU A CD1 1727 C CD2 . LEU A 218 ? 0.2140 0.3073 0.2367 -0.0296 0.0043 -0.0031 218 LEU A CD2 1728 N N . GLU A 219 ? 0.2318 0.3287 0.2519 -0.0330 0.0037 -0.0119 219 GLU A N 1729 C CA . GLU A 219 ? 0.2348 0.3312 0.2568 -0.0335 0.0048 -0.0145 219 GLU A CA 1730 C C . GLU A 219 ? 0.2212 0.3190 0.2485 -0.0339 0.0035 -0.0155 219 GLU A C 1731 O O . GLU A 219 ? 0.2181 0.3145 0.2491 -0.0339 0.0052 -0.0168 219 GLU A O 1732 C CB . GLU A 219 ? 0.2706 0.3679 0.2889 -0.0344 0.0048 -0.0164 219 GLU A CB 1733 C CG . GLU A 219 ? 0.3129 0.4098 0.3336 -0.0350 0.0060 -0.0194 219 GLU A CG 1734 C CD . GLU A 219 ? 0.3508 0.4479 0.3678 -0.0356 0.0067 -0.0212 219 GLU A CD 1735 O OE1 . GLU A 219 ? 0.3650 0.4638 0.3779 -0.0360 0.0052 -0.0211 219 GLU A OE1 1736 O OE2 . GLU A 219 ? 0.3897 0.4850 0.4079 -0.0357 0.0090 -0.0228 219 GLU A OE2 1737 N N . PRO A 220 ? 0.2159 0.3163 0.2436 -0.0342 0.0004 -0.0148 220 PRO A N 1738 C CA . PRO A 220 ? 0.2065 0.3082 0.2402 -0.0345 -0.0008 -0.0157 220 PRO A CA 1739 C C . PRO A 220 ? 0.2047 0.3044 0.2435 -0.0338 0.0010 -0.0146 220 PRO A C 1740 O O . PRO A 220 ? 0.1987 0.2981 0.2429 -0.0340 0.0017 -0.0160 220 PRO A O 1741 C CB . PRO A 220 ? 0.2094 0.3140 0.2423 -0.0345 -0.0045 -0.0144 220 PRO A CB 1742 C CG . PRO A 220 ? 0.2172 0.3224 0.2429 -0.0346 -0.0050 -0.0139 220 PRO A CG 1743 C CD . PRO A 220 ? 0.2144 0.3168 0.2376 -0.0342 -0.0018 -0.0133 220 PRO A CD 1744 N N . LEU A 221 ? 0.1961 0.2943 0.2333 -0.0329 0.0019 -0.0123 221 LEU A N 1745 C CA . LEU A 221 ? 0.1961 0.2921 0.2374 -0.0321 0.0038 -0.0114 221 LEU A CA 1746 C C . LEU A 221 ? 0.1928 0.2859 0.2345 -0.0318 0.0072 -0.0128 221 LEU A C 1747 O O . LEU A 221 ? 0.2024 0.2942 0.2489 -0.0316 0.0088 -0.0134 221 LEU A O 1748 C CB . LEU A 221 ? 0.1921 0.2870 0.2314 -0.0312 0.0040 -0.0088 221 LEU A CB 1749 C CG . LEU A 221 ? 0.1909 0.2880 0.2320 -0.0311 0.0014 -0.0068 221 LEU A CG 1750 C CD1 . LEU A 221 ? 0.1956 0.2956 0.2336 -0.0318 -0.0014 -0.0066 221 LEU A CD1 1751 C CD2 . LEU A 221 ? 0.1857 0.2812 0.2254 -0.0301 0.0023 -0.0046 221 LEU A CD2 1752 N N . TYR A 222 ? 0.1832 0.2751 0.2202 -0.0318 0.0083 -0.0134 222 TYR A N 1753 C CA . TYR A 222 ? 0.1792 0.2684 0.2164 -0.0314 0.0114 -0.0147 222 TYR A CA 1754 C C . TYR A 222 ? 0.1819 0.2719 0.2233 -0.0323 0.0117 -0.0170 222 TYR A C 1755 O O . TYR A 222 ? 0.1910 0.2788 0.2359 -0.0319 0.0143 -0.0175 222 TYR A O 1756 C CB . TYR A 222 ? 0.1691 0.2571 0.2010 -0.0313 0.0124 -0.0150 222 TYR A CB 1757 C CG . TYR A 222 ? 0.1637 0.2487 0.1959 -0.0307 0.0155 -0.0161 222 TYR A CG 1758 C CD1 . TYR A 222 ? 0.1631 0.2450 0.1956 -0.0293 0.0177 -0.0150 222 TYR A CD1 1759 C CD2 . TYR A 222 ? 0.1609 0.2461 0.1934 -0.0315 0.0163 -0.0182 222 TYR A CD2 1760 C CE1 . TYR A 222 ? 0.1623 0.2412 0.1948 -0.0286 0.0205 -0.0156 222 TYR A CE1 1761 C CE2 . TYR A 222 ? 0.1600 0.2424 0.1932 -0.0308 0.0193 -0.0188 222 TYR A CE2 1762 C CZ . TYR A 222 ? 0.1646 0.2438 0.1975 -0.0293 0.0214 -0.0174 222 TYR A CZ 1763 O OH . TYR A 222 ? 0.1604 0.2365 0.1933 -0.0285 0.0244 -0.0178 222 TYR A OH 1764 N N . LEU A 223 ? 0.1837 0.2766 0.2249 -0.0334 0.0093 -0.0184 223 LEU A N 1765 C CA . LEU A 223 ? 0.1925 0.2864 0.2381 -0.0343 0.0094 -0.0211 223 LEU A CA 1766 C C . LEU A 223 ? 0.1855 0.2794 0.2384 -0.0342 0.0098 -0.0211 223 LEU A C 1767 O O . LEU A 223 ? 0.1829 0.2753 0.2402 -0.0343 0.0121 -0.0225 223 LEU A O 1768 C CB . LEU A 223 ? 0.2021 0.2994 0.2461 -0.0355 0.0062 -0.0228 223 LEU A CB 1769 C CG . LEU A 223 ? 0.2126 0.3100 0.2502 -0.0358 0.0064 -0.0235 223 LEU A CG 1770 C CD1 . LEU A 223 ? 0.2166 0.3171 0.2521 -0.0368 0.0033 -0.0253 223 LEU A CD1 1771 C CD2 . LEU A 223 ? 0.2205 0.3153 0.2586 -0.0357 0.0098 -0.0249 223 LEU A CD2 1772 N N . ASN A 224 ? 0.1827 0.2780 0.2371 -0.0340 0.0076 -0.0195 224 ASN A N 1773 C CA . ASN A 224 ? 0.1830 0.2782 0.2447 -0.0339 0.0079 -0.0193 224 ASN A CA 1774 C C . ASN A 224 ? 0.1783 0.2698 0.2419 -0.0328 0.0120 -0.0183 224 ASN A C 1775 O O . ASN A 224 ? 0.1727 0.2632 0.2425 -0.0328 0.0139 -0.0192 224 ASN A O 1776 C CB . ASN A 224 ? 0.1915 0.2893 0.2545 -0.0339 0.0046 -0.0178 224 ASN A CB 1777 C CG . ASN A 224 ? 0.2017 0.3032 0.2660 -0.0349 0.0006 -0.0195 224 ASN A CG 1778 O OD1 . ASN A 224 ? 0.2076 0.3104 0.2787 -0.0354 -0.0001 -0.0211 224 ASN A OD1 1779 N ND2 . ASN A 224 ? 0.2053 0.3086 0.2633 -0.0351 -0.0017 -0.0191 224 ASN A ND2 1780 N N . LEU A 225 ? 0.1714 0.2606 0.2297 -0.0318 0.0133 -0.0164 225 LEU A N 1781 C CA . LEU A 225 ? 0.1716 0.2569 0.2303 -0.0306 0.0171 -0.0155 225 LEU A CA 1782 C C . LEU A 225 ? 0.1727 0.2558 0.2322 -0.0305 0.0202 -0.0170 225 LEU A C 1783 O O . LEU A 225 ? 0.1656 0.2462 0.2289 -0.0299 0.0234 -0.0170 225 LEU A O 1784 C CB . LEU A 225 ? 0.1660 0.2496 0.2184 -0.0295 0.0175 -0.0137 225 LEU A CB 1785 C CG . LEU A 225 ? 0.1654 0.2448 0.2169 -0.0279 0.0210 -0.0127 225 LEU A CG 1786 C CD1 . LEU A 225 ? 0.1603 0.2393 0.2170 -0.0275 0.0217 -0.0118 225 LEU A CD1 1787 C CD2 . LEU A 225 ? 0.1663 0.2444 0.2114 -0.0270 0.0206 -0.0115 225 LEU A CD2 1788 N N . HIS A 226 ? 0.1756 0.2594 0.2313 -0.0311 0.0196 -0.0182 226 HIS A N 1789 C CA . HIS A 226 ? 0.1814 0.2633 0.2373 -0.0311 0.0223 -0.0197 226 HIS A CA 1790 C C . HIS A 226 ? 0.1842 0.2667 0.2481 -0.0318 0.0233 -0.0215 226 HIS A C 1791 O O . HIS A 226 ? 0.1810 0.2605 0.2476 -0.0312 0.0269 -0.0216 226 HIS A O 1792 C CB . HIS A 226 ? 0.1756 0.2589 0.2267 -0.0318 0.0208 -0.0208 226 HIS A CB 1793 C CG . HIS A 226 ? 0.1836 0.2653 0.2354 -0.0320 0.0234 -0.0225 226 HIS A CG 1794 N ND1 . HIS A 226 ? 0.1813 0.2643 0.2387 -0.0330 0.0236 -0.0248 226 HIS A ND1 1795 C CD2 . HIS A 226 ? 0.1807 0.2598 0.2285 -0.0312 0.0256 -0.0222 226 HIS A CD2 1796 C CE1 . HIS A 226 ? 0.1849 0.2660 0.2419 -0.0329 0.0261 -0.0258 226 HIS A CE1 1797 N NE2 . HIS A 226 ? 0.1819 0.2606 0.2330 -0.0318 0.0273 -0.0242 226 HIS A NE2 1798 N N . ALA A 227 ? 0.1913 0.2775 0.2588 -0.0331 0.0200 -0.0228 227 ALA A N 1799 C CA . ALA A 227 ? 0.2010 0.2883 0.2768 -0.0339 0.0204 -0.0249 227 ALA A CA 1800 C C . ALA A 227 ? 0.2050 0.2904 0.2870 -0.0332 0.0228 -0.0238 227 ALA A C 1801 O O . ALA A 227 ? 0.2082 0.2922 0.2966 -0.0333 0.0256 -0.0249 227 ALA A O 1802 C CB . ALA A 227 ? 0.2024 0.2942 0.2801 -0.0352 0.0157 -0.0266 227 ALA A CB 1803 N N . PHE A 228 ? 0.2086 0.2938 0.2890 -0.0325 0.0219 -0.0216 228 PHE A N 1804 C CA . PHE A 228 ? 0.2109 0.2942 0.2967 -0.0317 0.0243 -0.0204 228 PHE A CA 1805 C C . PHE A 228 ? 0.2083 0.2868 0.2923 -0.0304 0.0295 -0.0194 228 PHE A C 1806 O O . PHE A 228 ? 0.2024 0.2789 0.2924 -0.0301 0.0328 -0.0197 228 PHE A O 1807 C CB . PHE A 228 ? 0.2176 0.3018 0.3014 -0.0312 0.0222 -0.0183 228 PHE A CB 1808 C CG . PHE A 228 ? 0.2316 0.3143 0.3214 -0.0306 0.0243 -0.0172 228 PHE A CG 1809 C CD1 . PHE A 228 ? 0.2351 0.3203 0.3338 -0.0314 0.0227 -0.0182 228 PHE A CD1 1810 C CD2 . PHE A 228 ? 0.2341 0.3129 0.3209 -0.0291 0.0276 -0.0154 228 PHE A CD2 1811 C CE1 . PHE A 228 ? 0.2483 0.3321 0.3530 -0.0308 0.0248 -0.0172 228 PHE A CE1 1812 C CE2 . PHE A 228 ? 0.2366 0.3139 0.3288 -0.0285 0.0298 -0.0145 228 PHE A CE2 1813 C CZ . PHE A 228 ? 0.2460 0.3257 0.3473 -0.0294 0.0285 -0.0153 228 PHE A CZ 1814 N N . VAL A 229 ? 0.2002 0.2768 0.2759 -0.0295 0.0301 -0.0184 229 VAL A N 1815 C CA . VAL A 229 ? 0.1934 0.2654 0.2659 -0.0280 0.0345 -0.0173 229 VAL A CA 1816 C C . VAL A 229 ? 0.1964 0.2669 0.2720 -0.0282 0.0373 -0.0188 229 VAL A C 1817 O O . VAL A 229 ? 0.2017 0.2686 0.2792 -0.0272 0.0416 -0.0181 229 VAL A O 1818 C CB . VAL A 229 ? 0.1895 0.2601 0.2527 -0.0270 0.0338 -0.0160 229 VAL A CB 1819 C CG1 . VAL A 229 ? 0.1850 0.2510 0.2445 -0.0253 0.0379 -0.0153 229 VAL A CG1 1820 C CG2 . VAL A 229 ? 0.1874 0.2583 0.2485 -0.0263 0.0322 -0.0144 229 VAL A CG2 1821 N N . ARG A 230 ? 0.1951 0.2684 0.2713 -0.0296 0.0351 -0.0208 230 ARG A N 1822 C CA . ARG A 230 ? 0.1999 0.2722 0.2795 -0.0300 0.0376 -0.0225 230 ARG A CA 1823 C C . ARG A 230 ? 0.2075 0.2796 0.2972 -0.0304 0.0398 -0.0234 230 ARG A C 1824 O O . ARG A 230 ? 0.2120 0.2810 0.3049 -0.0299 0.0440 -0.0234 230 ARG A O 1825 C CB . ARG A 230 ? 0.1931 0.2688 0.2715 -0.0316 0.0343 -0.0248 230 ARG A CB 1826 C CG . ARG A 230 ? 0.1879 0.2629 0.2702 -0.0321 0.0366 -0.0269 230 ARG A CG 1827 C CD . ARG A 230 ? 0.1846 0.2629 0.2648 -0.0336 0.0333 -0.0292 230 ARG A CD 1828 N NE . ARG A 230 ? 0.1887 0.2715 0.2709 -0.0348 0.0287 -0.0305 230 ARG A NE 1829 C CZ . ARG A 230 ? 0.1916 0.2776 0.2707 -0.0359 0.0251 -0.0322 230 ARG A CZ 1830 N NH1 . ARG A 230 ? 0.1926 0.2781 0.2670 -0.0361 0.0256 -0.0330 230 ARG A NH1 1831 N NH2 . ARG A 230 ? 0.1955 0.2851 0.2761 -0.0367 0.0210 -0.0329 230 ARG A NH2 1832 N N . ARG A 231 ? 0.2109 0.2860 0.3058 -0.0313 0.0370 -0.0240 231 ARG A N 1833 C CA . ARG A 231 ? 0.2335 0.3085 0.3385 -0.0316 0.0388 -0.0247 231 ARG A CA 1834 C C . ARG A 231 ? 0.2377 0.3081 0.3434 -0.0299 0.0438 -0.0224 231 ARG A C 1835 O O . ARG A 231 ? 0.2338 0.3018 0.3459 -0.0297 0.0479 -0.0227 231 ARG A O 1836 C CB . ARG A 231 ? 0.2428 0.3222 0.3528 -0.0328 0.0343 -0.0256 231 ARG A CB 1837 C CG . ARG A 231 ? 0.2691 0.3485 0.3903 -0.0330 0.0358 -0.0263 231 ARG A CG 1838 C CD . ARG A 231 ? 0.2921 0.3720 0.4220 -0.0340 0.0374 -0.0290 231 ARG A CD 1839 N NE . ARG A 231 ? 0.3102 0.3945 0.4408 -0.0356 0.0325 -0.0319 231 ARG A NE 1840 C CZ . ARG A 231 ? 0.3269 0.4127 0.4650 -0.0367 0.0323 -0.0350 231 ARG A CZ 1841 N NH1 . ARG A 231 ? 0.3158 0.3991 0.4622 -0.0365 0.0369 -0.0356 231 ARG A NH1 1842 N NH2 . ARG A 231 ? 0.3267 0.4165 0.4639 -0.0380 0.0275 -0.0376 231 ARG A NH2 1843 N N . ALA A 232 ? 0.2281 0.2970 0.3270 -0.0287 0.0437 -0.0201 232 ALA A N 1844 C CA . ALA A 232 ? 0.2380 0.3022 0.3360 -0.0269 0.0484 -0.0179 232 ALA A CA 1845 C C . ALA A 232 ? 0.2452 0.3049 0.3400 -0.0257 0.0531 -0.0173 232 ALA A C 1846 O O . ALA A 232 ? 0.2415 0.2976 0.3397 -0.0246 0.0579 -0.0164 232 ALA A O 1847 C CB . ALA A 232 ? 0.2263 0.2898 0.3169 -0.0258 0.0469 -0.0159 232 ALA A CB 1848 N N . LEU A 233 ? 0.2394 0.2995 0.3280 -0.0257 0.0517 -0.0177 233 LEU A N 1849 C CA . LEU A 233 ? 0.2494 0.3055 0.3347 -0.0245 0.0557 -0.0171 233 LEU A CA 1850 C C . LEU A 233 ? 0.2595 0.3153 0.3536 -0.0253 0.0586 -0.0186 233 LEU A C 1851 O O . LEU A 233 ? 0.2689 0.3204 0.3639 -0.0240 0.0637 -0.0175 233 LEU A O 1852 C CB . LEU A 233 ? 0.2441 0.3010 0.3214 -0.0245 0.0532 -0.0174 233 LEU A CB 1853 C CG . LEU A 233 ? 0.2472 0.3034 0.3154 -0.0233 0.0513 -0.0156 233 LEU A CG 1854 C CD1 . LEU A 233 ? 0.2378 0.2957 0.2999 -0.0238 0.0483 -0.0163 233 LEU A CD1 1855 C CD2 . LEU A 233 ? 0.2557 0.3065 0.3192 -0.0208 0.0554 -0.0133 233 LEU A CD2 1856 N N . HIS A 234 ? 0.2684 0.3285 0.3690 -0.0274 0.0554 -0.0212 234 HIS A N 1857 C CA . HIS A 234 ? 0.2909 0.3514 0.4010 -0.0284 0.0575 -0.0233 234 HIS A CA 1858 C C . HIS A 234 ? 0.2977 0.3555 0.4157 -0.0277 0.0621 -0.0224 234 HIS A C 1859 O O . HIS A 234 ? 0.3035 0.3583 0.4262 -0.0272 0.0668 -0.0223 234 HIS A O 1860 C CB . HIS A 234 ? 0.2891 0.3552 0.4043 -0.0307 0.0524 -0.0264 234 HIS A CB 1861 C CG . HIS A 234 ? 0.3042 0.3712 0.4298 -0.0319 0.0539 -0.0291 234 HIS A CG 1862 N ND1 . HIS A 234 ? 0.3111 0.3792 0.4475 -0.0325 0.0544 -0.0302 234 HIS A ND1 1863 C CD2 . HIS A 234 ? 0.3071 0.3741 0.4349 -0.0325 0.0549 -0.0310 234 HIS A CD2 1864 C CE1 . HIS A 234 ? 0.3142 0.3830 0.4590 -0.0336 0.0556 -0.0327 234 HIS A CE1 1865 N NE2 . HIS A 234 ? 0.3119 0.3800 0.4516 -0.0336 0.0561 -0.0333 234 HIS A NE2 1866 N N . ARG A 235 ? 0.3155 0.3742 0.4352 -0.0276 0.0608 -0.0216 235 ARG A N 1867 C CA . ARG A 235 ? 0.3538 0.4098 0.4806 -0.0269 0.0652 -0.0205 235 ARG A CA 1868 C C . ARG A 235 ? 0.3602 0.4099 0.4818 -0.0245 0.0714 -0.0177 235 ARG A C 1869 O O . ARG A 235 ? 0.3667 0.4133 0.4948 -0.0238 0.0765 -0.0171 235 ARG A O 1870 C CB . ARG A 235 ? 0.3714 0.4294 0.4997 -0.0271 0.0625 -0.0200 235 ARG A CB 1871 C CG . ARG A 235 ? 0.3931 0.4569 0.5289 -0.0292 0.0572 -0.0226 235 ARG A CG 1872 C CD . ARG A 235 ? 0.4120 0.4783 0.5460 -0.0293 0.0533 -0.0217 235 ARG A CD 1873 N NE . ARG A 235 ? 0.4354 0.4984 0.5720 -0.0280 0.0572 -0.0197 235 ARG A NE 1874 C CZ . ARG A 235 ? 0.4511 0.5149 0.5858 -0.0276 0.0554 -0.0184 235 ARG A CZ 1875 N NH1 . ARG A 235 ? 0.4549 0.5225 0.5851 -0.0284 0.0497 -0.0186 235 ARG A NH1 1876 N NH2 . ARG A 235 ? 0.4448 0.5054 0.5822 -0.0265 0.0594 -0.0168 235 ARG A NH2 1877 N N . ARG A 236 ? 0.3553 0.4031 0.4654 -0.0232 0.0709 -0.0162 236 ARG A N 1878 C CA . ARG A 236 ? 0.3647 0.4065 0.4685 -0.0207 0.0763 -0.0135 236 ARG A CA 1879 C C . ARG A 236 ? 0.3630 0.4022 0.4654 -0.0201 0.0792 -0.0134 236 ARG A C 1880 O O . ARG A 236 ? 0.3740 0.4084 0.4771 -0.0184 0.0850 -0.0117 236 ARG A O 1881 C CB . ARG A 236 ? 0.3818 0.4222 0.4740 -0.0191 0.0745 -0.0117 236 ARG A CB 1882 C CG . ARG A 236 ? 0.4134 0.4522 0.5056 -0.0181 0.0759 -0.0103 236 ARG A CG 1883 C CD . ARG A 236 ? 0.4400 0.4840 0.5376 -0.0201 0.0710 -0.0118 236 ARG A CD 1884 N NE . ARG A 236 ? 0.4786 0.5216 0.5787 -0.0194 0.0725 -0.0107 236 ARG A NE 1885 C CZ . ARG A 236 ? 0.5044 0.5512 0.6074 -0.0206 0.0684 -0.0114 236 ARG A CZ 1886 N NH1 . ARG A 236 ? 0.5008 0.5525 0.6037 -0.0223 0.0627 -0.0129 236 ARG A NH1 1887 N NH2 . ARG A 236 ? 0.4950 0.5404 0.6006 -0.0199 0.0701 -0.0104 236 ARG A NH2 1888 N N . TYR A 237 ? 0.3415 0.3837 0.4417 -0.0213 0.0755 -0.0150 237 TYR A N 1889 C CA . TYR A 237 ? 0.3400 0.3801 0.4378 -0.0207 0.0777 -0.0148 237 TYR A CA 1890 C C . TYR A 237 ? 0.3457 0.3875 0.4537 -0.0224 0.0787 -0.0173 237 TYR A C 1891 O O . TYR A 237 ? 0.3624 0.4015 0.4708 -0.0217 0.0821 -0.0169 237 TYR A O 1892 C CB . TYR A 237 ? 0.3363 0.3777 0.4243 -0.0206 0.0737 -0.0149 237 TYR A CB 1893 C CG . TYR A 237 ? 0.3410 0.3794 0.4184 -0.0183 0.0738 -0.0123 237 TYR A CG 1894 C CD1 . TYR A 237 ? 0.3404 0.3734 0.4121 -0.0158 0.0780 -0.0100 237 TYR A CD1 1895 C CD2 . TYR A 237 ? 0.3391 0.3800 0.4125 -0.0187 0.0696 -0.0123 237 TYR A CD2 1896 C CE1 . TYR A 237 ? 0.3538 0.3840 0.4157 -0.0136 0.0778 -0.0079 237 TYR A CE1 1897 C CE2 . TYR A 237 ? 0.3423 0.3806 0.4066 -0.0166 0.0695 -0.0103 237 TYR A CE2 1898 C CZ . TYR A 237 ? 0.3534 0.3864 0.4118 -0.0141 0.0735 -0.0083 237 TYR A CZ 1899 O OH . TYR A 237 ? 0.3557 0.3861 0.4049 -0.0120 0.0730 -0.0066 237 TYR A OH 1900 N N . GLY A 238 ? 0.3491 0.3954 0.4655 -0.0245 0.0757 -0.0198 238 GLY A N 1901 C CA . GLY A 238 ? 0.3591 0.4073 0.4866 -0.0262 0.0764 -0.0226 238 GLY A CA 1902 C C . GLY A 238 ? 0.3761 0.4285 0.5030 -0.0280 0.0719 -0.0255 238 GLY A C 1903 O O . GLY A 238 ? 0.3515 0.4047 0.4689 -0.0278 0.0690 -0.0250 238 GLY A O 1904 N N . ASP A 239 ? 0.3984 0.4531 0.5357 -0.0297 0.0717 -0.0285 239 ASP A N 1905 C CA . ASP A 239 ? 0.4239 0.4829 0.5622 -0.0316 0.0675 -0.0319 239 ASP A CA 1906 C C . ASP A 239 ? 0.4157 0.4728 0.5488 -0.0311 0.0690 -0.0317 239 ASP A C 1907 O O . ASP A 239 ? 0.4290 0.4892 0.5603 -0.0324 0.0655 -0.0341 239 ASP A O 1908 C CB . ASP A 239 ? 0.4701 0.5318 0.6220 -0.0334 0.0672 -0.0354 239 ASP A CB 1909 C CG . ASP A 239 ? 0.5126 0.5801 0.6656 -0.0355 0.0609 -0.0392 239 ASP A CG 1910 O OD1 . ASP A 239 ? 0.5189 0.5895 0.6676 -0.0359 0.0560 -0.0393 239 ASP A OD1 1911 O OD2 . ASP A 239 ? 0.5458 0.6145 0.7039 -0.0366 0.0608 -0.0422 239 ASP A OD2 1912 N N . ARG A 240 ? 0.4091 0.4609 0.5394 -0.0291 0.0744 -0.0287 240 ARG A N 1913 C CA . ARG A 240 ? 0.4194 0.4690 0.5450 -0.0283 0.0763 -0.0281 240 ARG A CA 1914 C C . ARG A 240 ? 0.4108 0.4606 0.5236 -0.0275 0.0730 -0.0266 240 ARG A C 1915 O O . ARG A 240 ? 0.3949 0.4463 0.5043 -0.0282 0.0708 -0.0280 240 ARG A O 1916 C CB . ARG A 240 ? 0.4729 0.5164 0.6002 -0.0262 0.0832 -0.0252 240 ARG A CB 1917 C CG . ARG A 240 ? 0.5334 0.5736 0.6550 -0.0248 0.0857 -0.0237 240 ARG A CG 1918 C CD . ARG A 240 ? 0.5919 0.6261 0.7158 -0.0227 0.0928 -0.0206 240 ARG A CD 1919 N NE . ARG A 240 ? 0.6290 0.6595 0.7455 -0.0207 0.0951 -0.0183 240 ARG A NE 1920 C CZ . ARG A 240 ? 0.6502 0.6807 0.7692 -0.0212 0.0959 -0.0195 240 ARG A CZ 1921 N NH1 . ARG A 240 ? 0.6598 0.6940 0.7886 -0.0237 0.0946 -0.0234 240 ARG A NH1 1922 N NH2 . ARG A 240 ? 0.6558 0.6827 0.7677 -0.0192 0.0978 -0.0170 240 ARG A NH2 1923 N N . TYR A 241 ? 0.3711 0.4193 0.4774 -0.0260 0.0728 -0.0240 241 TYR A N 1924 C CA . TYR A 241 ? 0.3602 0.4079 0.4550 -0.0249 0.0703 -0.0223 241 TYR A CA 1925 C C . TYR A 241 ? 0.3263 0.3788 0.4179 -0.0264 0.0643 -0.0237 241 TYR A C 1926 O O . TYR A 241 ? 0.3196 0.3727 0.4029 -0.0260 0.0616 -0.0230 241 TYR A O 1927 C CB . TYR A 241 ? 0.3735 0.4164 0.4623 -0.0223 0.0735 -0.0186 241 TYR A CB 1928 C CG . TYR A 241 ? 0.4012 0.4387 0.4895 -0.0203 0.0792 -0.0165 241 TYR A CG 1929 C CD1 . TYR A 241 ? 0.4118 0.4483 0.4973 -0.0199 0.0797 -0.0166 241 TYR A CD1 1930 C CD2 . TYR A 241 ? 0.4253 0.4586 0.5158 -0.0187 0.0842 -0.0143 241 TYR A CD2 1931 C CE1 . TYR A 241 ? 0.4426 0.4740 0.5275 -0.0179 0.0849 -0.0143 241 TYR A CE1 1932 C CE2 . TYR A 241 ? 0.4575 0.4856 0.5470 -0.0166 0.0896 -0.0120 241 TYR A CE2 1933 C CZ . TYR A 241 ? 0.4644 0.4915 0.5510 -0.0162 0.0898 -0.0120 241 TYR A CZ 1934 O OH . TYR A 241 ? 0.5044 0.5262 0.5899 -0.0140 0.0951 -0.0095 241 TYR A OH 1935 N N . ILE A 242 ? 0.3022 0.3580 0.4007 -0.0279 0.0623 -0.0255 242 ILE A N 1936 C CA . ILE A 242 ? 0.2857 0.3461 0.3819 -0.0293 0.0567 -0.0267 242 ILE A CA 1937 C C . ILE A 242 ? 0.2849 0.3499 0.3880 -0.0316 0.0536 -0.0304 242 ILE A C 1938 O O . ILE A 242 ? 0.2796 0.3452 0.3923 -0.0324 0.0549 -0.0320 242 ILE A O 1939 C CB . ILE A 242 ? 0.2788 0.3393 0.3755 -0.0287 0.0560 -0.0251 242 ILE A CB 1940 C CG1 . ILE A 242 ? 0.2730 0.3290 0.3618 -0.0264 0.0586 -0.0217 242 ILE A CG1 1941 C CG2 . ILE A 242 ? 0.2709 0.3362 0.3659 -0.0301 0.0502 -0.0264 242 ILE A CG2 1942 C CD1 . ILE A 242 ? 0.2670 0.3237 0.3457 -0.0259 0.0554 -0.0208 242 ILE A CD1 1943 N N . ASN A 243 ? 0.2723 0.3403 0.3703 -0.0326 0.0495 -0.0319 243 ASN A N 1944 C CA . ASN A 243 ? 0.2703 0.3429 0.3730 -0.0347 0.0458 -0.0355 243 ASN A CA 1945 C C . ASN A 243 ? 0.2617 0.3380 0.3619 -0.0353 0.0408 -0.0356 243 ASN A C 1946 O O . ASN A 243 ? 0.2638 0.3408 0.3555 -0.0350 0.0384 -0.0344 243 ASN A O 1947 C CB . ASN A 243 ? 0.2740 0.3473 0.3727 -0.0353 0.0451 -0.0372 243 ASN A CB 1948 C CG . ASN A 243 ? 0.2666 0.3443 0.3693 -0.0373 0.0415 -0.0412 243 ASN A CG 1949 O OD1 . ASN A 243 ? 0.2700 0.3507 0.3779 -0.0383 0.0389 -0.0428 243 ASN A OD1 1950 N ND2 . ASN A 243 ? 0.2751 0.3533 0.3755 -0.0379 0.0413 -0.0430 243 ASN A ND2 1951 N N . LEU A 244 ? 0.2564 0.3350 0.3643 -0.0362 0.0393 -0.0371 244 LEU A N 1952 C CA . LEU A 244 ? 0.2524 0.3345 0.3591 -0.0367 0.0346 -0.0370 244 LEU A CA 1953 C C . LEU A 244 ? 0.2576 0.3435 0.3589 -0.0378 0.0297 -0.0388 244 LEU A C 1954 O O . LEU A 244 ? 0.2606 0.3491 0.3591 -0.0381 0.0258 -0.0382 244 LEU A O 1955 C CB . LEU A 244 ? 0.2592 0.3429 0.3764 -0.0374 0.0340 -0.0383 244 LEU A CB 1956 C CG . LEU A 244 ? 0.2582 0.3384 0.3807 -0.0363 0.0386 -0.0362 244 LEU A CG 1957 C CD1 . LEU A 244 ? 0.2687 0.3508 0.4035 -0.0372 0.0382 -0.0383 244 LEU A CD1 1958 C CD2 . LEU A 244 ? 0.2534 0.3323 0.3696 -0.0350 0.0383 -0.0328 244 LEU A CD2 1959 N N . ARG A 245 ? 0.2612 0.3472 0.3608 -0.0384 0.0302 -0.0407 245 ARG A N 1960 C CA . ARG A 245 ? 0.2739 0.3631 0.3680 -0.0394 0.0261 -0.0425 245 ARG A CA 1961 C C . ARG A 245 ? 0.2567 0.3441 0.3425 -0.0389 0.0275 -0.0414 245 ARG A C 1962 O O . ARG A 245 ? 0.2649 0.3544 0.3461 -0.0396 0.0250 -0.0430 245 ARG A O 1963 C CB . ARG A 245 ? 0.3001 0.3922 0.4006 -0.0409 0.0243 -0.0469 245 ARG A CB 1964 C CG . ARG A 245 ? 0.3363 0.4309 0.4450 -0.0415 0.0219 -0.0482 245 ARG A CG 1965 C CD . ARG A 245 ? 0.3734 0.4716 0.4872 -0.0430 0.0187 -0.0528 245 ARG A CD 1966 N NE . ARG A 245 ? 0.4199 0.5165 0.5403 -0.0435 0.0221 -0.0553 245 ARG A NE 1967 C CZ . ARG A 245 ? 0.4412 0.5403 0.5699 -0.0447 0.0206 -0.0595 245 ARG A CZ 1968 N NH1 . ARG A 245 ? 0.4441 0.5471 0.5750 -0.0454 0.0155 -0.0616 245 ARG A NH1 1969 N NH2 . ARG A 245 ? 0.4466 0.5440 0.5815 -0.0451 0.0241 -0.0615 245 ARG A NH2 1970 N N . GLY A 246 ? 0.2356 0.3189 0.3195 -0.0374 0.0315 -0.0387 246 GLY A N 1971 C CA . GLY A 246 ? 0.2152 0.2963 0.2928 -0.0367 0.0333 -0.0377 246 GLY A CA 1972 C C . GLY A 246 ? 0.2082 0.2872 0.2786 -0.0352 0.0336 -0.0341 246 GLY A C 1973 O O . GLY A 246 ? 0.2068 0.2861 0.2775 -0.0347 0.0326 -0.0325 246 GLY A O 1974 N N . PRO A 247 ? 0.2037 0.2808 0.2681 -0.0344 0.0347 -0.0331 247 PRO A N 1975 C CA . PRO A 247 ? 0.2035 0.2785 0.2616 -0.0329 0.0350 -0.0300 247 PRO A CA 1976 C C . PRO A 247 ? 0.2013 0.2725 0.2615 -0.0313 0.0386 -0.0279 247 PRO A C 1977 O O . PRO A 247 ? 0.1977 0.2670 0.2631 -0.0312 0.0417 -0.0286 247 PRO A O 1978 C CB . PRO A 247 ? 0.2059 0.2796 0.2589 -0.0325 0.0358 -0.0300 247 PRO A CB 1979 C CG . PRO A 247 ? 0.2087 0.2852 0.2638 -0.0342 0.0345 -0.0332 247 PRO A CG 1980 C CD . PRO A 247 ? 0.2012 0.2783 0.2645 -0.0350 0.0355 -0.0350 247 PRO A CD 1981 N N . ILE A 248 ? 0.1953 0.2651 0.2515 -0.0300 0.0382 -0.0254 248 ILE A N 1982 C CA . ILE A 248 ? 0.1992 0.2650 0.2561 -0.0283 0.0417 -0.0233 248 ILE A CA 1983 C C . ILE A 248 ? 0.2024 0.2645 0.2545 -0.0266 0.0443 -0.0220 248 ILE A C 1984 O O . ILE A 248 ? 0.1945 0.2570 0.2408 -0.0263 0.0425 -0.0216 248 ILE A O 1985 C CB . ILE A 248 ? 0.1960 0.2618 0.2503 -0.0275 0.0403 -0.0213 248 ILE A CB 1986 C CG1 . ILE A 248 ? 0.2017 0.2714 0.2607 -0.0290 0.0374 -0.0224 248 ILE A CG1 1987 C CG2 . ILE A 248 ? 0.1926 0.2540 0.2467 -0.0255 0.0441 -0.0192 248 ILE A CG2 1988 C CD1 . ILE A 248 ? 0.2045 0.2748 0.2609 -0.0284 0.0354 -0.0206 248 ILE A CD1 1989 N N . PRO A 249 ? 0.2033 0.2618 0.2580 -0.0255 0.0485 -0.0212 249 PRO A N 1990 C CA . PRO A 249 ? 0.2116 0.2662 0.2610 -0.0235 0.0508 -0.0196 249 PRO A CA 1991 C C . PRO A 249 ? 0.2194 0.2725 0.2613 -0.0219 0.0494 -0.0175 249 PRO A C 1992 O O . PRO A 249 ? 0.2156 0.2682 0.2573 -0.0213 0.0493 -0.0163 249 PRO A O 1993 C CB . PRO A 249 ? 0.2194 0.2701 0.2728 -0.0224 0.0556 -0.0185 249 PRO A CB 1994 C CG . PRO A 249 ? 0.2104 0.2637 0.2727 -0.0243 0.0558 -0.0207 249 PRO A CG 1995 C CD . PRO A 249 ? 0.2102 0.2678 0.2728 -0.0258 0.0515 -0.0218 249 PRO A CD 1996 N N . ALA A 250 ? 0.2143 0.2667 0.2507 -0.0211 0.0484 -0.0171 250 ALA A N 1997 C CA . ALA A 250 ? 0.2226 0.2748 0.2526 -0.0201 0.0459 -0.0159 250 ALA A CA 1998 C C . ALA A 250 ? 0.2266 0.2748 0.2526 -0.0175 0.0477 -0.0136 250 ALA A C 1999 O O . ALA A 250 ? 0.2278 0.2759 0.2490 -0.0166 0.0456 -0.0129 250 ALA A O 2000 C CB . ALA A 250 ? 0.2158 0.2685 0.2419 -0.0200 0.0443 -0.0164 250 ALA A CB 2001 N N . HIS A 251 ? 0.2224 0.2671 0.2502 -0.0163 0.0517 -0.0127 251 HIS A N 2002 C CA . HIS A 251 ? 0.2303 0.2705 0.2537 -0.0137 0.0540 -0.0105 251 HIS A CA 2003 C C . HIS A 251 ? 0.2280 0.2676 0.2541 -0.0136 0.0555 -0.0099 251 HIS A C 2004 O O . HIS A 251 ? 0.2355 0.2713 0.2578 -0.0114 0.0577 -0.0082 251 HIS A O 2005 C CB . HIS A 251 ? 0.2321 0.2680 0.2543 -0.0119 0.0579 -0.0093 251 HIS A CB 2006 C CG . HIS A 251 ? 0.2418 0.2772 0.2714 -0.0128 0.0615 -0.0098 251 HIS A CG 2007 N ND1 . HIS A 251 ? 0.2385 0.2779 0.2750 -0.0155 0.0604 -0.0120 251 HIS A ND1 2008 C CD2 . HIS A 251 ? 0.2496 0.2808 0.2807 -0.0113 0.0663 -0.0083 251 HIS A CD2 2009 C CE1 . HIS A 251 ? 0.2457 0.2836 0.2883 -0.0157 0.0642 -0.0121 251 HIS A CE1 2010 N NE2 . HIS A 251 ? 0.2564 0.2893 0.2960 -0.0132 0.0680 -0.0097 251 HIS A NE2 2011 N N . LEU A 252 ? 0.2242 0.2674 0.2567 -0.0158 0.0544 -0.0113 252 LEU A N 2012 C CA . LEU A 252 ? 0.2224 0.2652 0.2592 -0.0159 0.0561 -0.0108 252 LEU A CA 2013 C C . LEU A 252 ? 0.2164 0.2616 0.2524 -0.0164 0.0529 -0.0108 252 LEU A C 2014 O O . LEU A 252 ? 0.2145 0.2602 0.2552 -0.0169 0.0537 -0.0107 252 LEU A O 2015 C CB . LEU A 252 ? 0.2213 0.2661 0.2671 -0.0178 0.0574 -0.0123 252 LEU A CB 2016 C CG . LEU A 252 ? 0.2211 0.2639 0.2696 -0.0177 0.0606 -0.0126 252 LEU A CG 2017 C CD1 . LEU A 252 ? 0.2210 0.2665 0.2794 -0.0198 0.0612 -0.0146 252 LEU A CD1 2018 C CD2 . LEU A 252 ? 0.2287 0.2657 0.2743 -0.0150 0.0655 -0.0103 252 LEU A CD2 2019 N N . LEU A 253 ? 0.2116 0.2583 0.2423 -0.0164 0.0494 -0.0108 253 LEU A N 2020 C CA . LEU A 253 ? 0.2121 0.2617 0.2429 -0.0171 0.0461 -0.0109 253 LEU A CA 2021 C C . LEU A 253 ? 0.2172 0.2643 0.2423 -0.0151 0.0460 -0.0096 253 LEU A C 2022 O O . LEU A 253 ? 0.2119 0.2611 0.2368 -0.0156 0.0433 -0.0096 253 LEU A O 2023 C CB . LEU A 253 ? 0.2039 0.2580 0.2346 -0.0190 0.0420 -0.0122 253 LEU A CB 2024 C CG . LEU A 253 ? 0.2089 0.2660 0.2460 -0.0212 0.0417 -0.0139 253 LEU A CG 2025 C CD1 . LEU A 253 ? 0.2123 0.2726 0.2482 -0.0227 0.0389 -0.0153 253 LEU A CD1 2026 C CD2 . LEU A 253 ? 0.1996 0.2594 0.2423 -0.0224 0.0404 -0.0142 253 LEU A CD2 2027 N N . GLY A 254 ? 0.2236 0.2660 0.2441 -0.0128 0.0489 -0.0085 254 GLY A N 2028 C CA . GLY A 254 ? 0.2380 0.2775 0.2534 -0.0106 0.0492 -0.0074 254 GLY A CA 2029 C C . GLY A 254 ? 0.2502 0.2885 0.2583 -0.0091 0.0471 -0.0072 254 GLY A C 2030 O O . GLY A 254 ? 0.2697 0.3049 0.2726 -0.0070 0.0475 -0.0065 254 GLY A O 2031 N N . ASP A 255 ? 0.2461 0.2866 0.2539 -0.0101 0.0450 -0.0081 255 ASP A N 2032 C CA . ASP A 255 ? 0.2549 0.2956 0.2576 -0.0093 0.0421 -0.0083 255 ASP A CA 2033 C C . ASP A 255 ? 0.2446 0.2851 0.2465 -0.0094 0.0423 -0.0087 255 ASP A C 2034 O O . ASP A 255 ? 0.2320 0.2744 0.2385 -0.0112 0.0430 -0.0093 255 ASP A O 2035 C CB . ASP A 255 ? 0.2653 0.3105 0.2703 -0.0112 0.0383 -0.0091 255 ASP A CB 2036 C CG . ASP A 255 ? 0.2834 0.3295 0.2849 -0.0109 0.0353 -0.0096 255 ASP A CG 2037 O OD1 . ASP A 255 ? 0.2922 0.3368 0.2901 -0.0093 0.0342 -0.0093 255 ASP A OD1 2038 O OD2 . ASP A 255 ? 0.2828 0.3312 0.2855 -0.0122 0.0341 -0.0103 255 ASP A OD2 2039 N N . MET A 256 ? 0.2382 0.2764 0.2346 -0.0075 0.0415 -0.0084 256 MET A N 2040 C CA . MET A 256 ? 0.2321 0.2698 0.2279 -0.0073 0.0418 -0.0086 256 MET A CA 2041 C C . MET A 256 ? 0.2205 0.2628 0.2204 -0.0100 0.0397 -0.0100 256 MET A C 2042 O O . MET A 256 ? 0.2128 0.2552 0.2145 -0.0107 0.0408 -0.0105 256 MET A O 2043 C CB . MET A 256 ? 0.2434 0.2783 0.2328 -0.0048 0.0405 -0.0081 256 MET A CB 2044 C CG . MET A 256 ? 0.2470 0.2808 0.2355 -0.0042 0.0411 -0.0081 256 MET A CG 2045 S SD . MET A 256 ? 0.2629 0.2931 0.2526 -0.0033 0.0461 -0.0068 256 MET A SD 2046 C CE . MET A 256 ? 0.2668 0.2913 0.2489 0.0005 0.0477 -0.0049 256 MET A CE 2047 N N . TRP A 257 ? 0.2130 0.2587 0.2142 -0.0115 0.0368 -0.0107 257 TRP A N 2048 C CA . TRP A 257 ? 0.2096 0.2594 0.2135 -0.0138 0.0346 -0.0119 257 TRP A CA 2049 C C . TRP A 257 ? 0.2074 0.2605 0.2162 -0.0161 0.0344 -0.0125 257 TRP A C 2050 O O . TRP A 257 ? 0.2024 0.2590 0.2129 -0.0180 0.0324 -0.0135 257 TRP A O 2051 C CB . TRP A 257 ? 0.2082 0.2594 0.2096 -0.0136 0.0314 -0.0122 257 TRP A CB 2052 C CG . TRP A 257 ? 0.2161 0.2641 0.2132 -0.0113 0.0314 -0.0118 257 TRP A CG 2053 C CD1 . TRP A 257 ? 0.2210 0.2684 0.2175 -0.0110 0.0316 -0.0122 257 TRP A CD1 2054 C CD2 . TRP A 257 ? 0.2215 0.2662 0.2144 -0.0087 0.0314 -0.0110 257 TRP A CD2 2055 N NE1 . TRP A 257 ? 0.2253 0.2694 0.2175 -0.0084 0.0313 -0.0116 257 TRP A NE1 2056 C CE2 . TRP A 257 ? 0.2265 0.2688 0.2160 -0.0069 0.0312 -0.0109 257 TRP A CE2 2057 C CE3 . TRP A 257 ? 0.2299 0.2733 0.2213 -0.0077 0.0315 -0.0104 257 TRP A CE3 2058 C CZ2 . TRP A 257 ? 0.2348 0.2735 0.2192 -0.0041 0.0308 -0.0103 257 TRP A CZ2 2059 C CZ3 . TRP A 257 ? 0.2348 0.2746 0.2210 -0.0049 0.0313 -0.0099 257 TRP A CZ3 2060 C CH2 . TRP A 257 ? 0.2396 0.2771 0.2222 -0.0031 0.0308 -0.0099 257 TRP A CH2 2061 N N . ALA A 258 ? 0.2032 0.2551 0.2142 -0.0159 0.0364 -0.0120 258 ALA A N 2062 C CA . ALA A 258 ? 0.2061 0.2610 0.2220 -0.0178 0.0358 -0.0125 258 ALA A CA 2063 C C . ALA A 258 ? 0.2064 0.2646 0.2220 -0.0188 0.0324 -0.0125 258 ALA A C 2064 O O . ALA A 258 ? 0.2031 0.2647 0.2220 -0.0207 0.0309 -0.0132 258 ALA A O 2065 C CB . ALA A 258 ? 0.2001 0.2571 0.2204 -0.0196 0.0365 -0.0138 258 ALA A CB 2066 N N . GLN A 259 ? 0.2061 0.2631 0.2177 -0.0174 0.0311 -0.0118 259 GLN A N 2067 C CA . GLN A 259 ? 0.2102 0.2701 0.2217 -0.0183 0.0280 -0.0118 259 GLN A CA 2068 C C . GLN A 259 ? 0.2149 0.2753 0.2280 -0.0182 0.0274 -0.0110 259 GLN A C 2069 O O . GLN A 259 ? 0.2105 0.2738 0.2251 -0.0193 0.0252 -0.0109 259 GLN A O 2070 C CB . GLN A 259 ? 0.2199 0.2788 0.2274 -0.0171 0.0266 -0.0118 259 GLN A CB 2071 C CG . GLN A 259 ? 0.2360 0.2919 0.2404 -0.0148 0.0268 -0.0111 259 GLN A CG 2072 C CD . GLN A 259 ? 0.2427 0.2975 0.2437 -0.0136 0.0252 -0.0114 259 GLN A CD 2073 O OE1 . GLN A 259 ? 0.2532 0.3069 0.2526 -0.0131 0.0256 -0.0118 259 GLN A OE1 2074 N NE2 . GLN A 259 ? 0.2449 0.2999 0.2451 -0.0130 0.0233 -0.0113 259 GLN A NE2 2075 N N . SER A 260 ? 0.2202 0.2776 0.2330 -0.0168 0.0296 -0.0104 260 SER A N 2076 C CA . SER A 260 ? 0.2261 0.2838 0.2413 -0.0167 0.0296 -0.0098 260 SER A CA 2077 C C . SER A 260 ? 0.2194 0.2753 0.2375 -0.0166 0.0327 -0.0097 260 SER A C 2078 O O . SER A 260 ? 0.2195 0.2723 0.2355 -0.0153 0.0353 -0.0096 260 SER A O 2079 C CB . SER A 260 ? 0.2386 0.2939 0.2503 -0.0148 0.0293 -0.0093 260 SER A CB 2080 O OG . SER A 260 ? 0.2787 0.3329 0.2924 -0.0143 0.0306 -0.0087 260 SER A OG 2081 N N . TRP A 261 ? 0.2082 0.2661 0.2314 -0.0178 0.0326 -0.0096 261 TRP A N 2082 C CA . TRP A 261 ? 0.2073 0.2636 0.2343 -0.0178 0.0357 -0.0096 261 TRP A CA 2083 C C . TRP A 261 ? 0.2145 0.2687 0.2428 -0.0166 0.0375 -0.0087 261 TRP A C 2084 O O . TRP A 261 ? 0.2034 0.2568 0.2362 -0.0168 0.0399 -0.0086 261 TRP A O 2085 C CB . TRP A 261 ? 0.2039 0.2639 0.2370 -0.0200 0.0348 -0.0105 261 TRP A CB 2086 C CG . TRP A 261 ? 0.1997 0.2619 0.2320 -0.0212 0.0333 -0.0116 261 TRP A CG 2087 C CD1 . TRP A 261 ? 0.1993 0.2604 0.2267 -0.0206 0.0331 -0.0118 261 TRP A CD1 2088 C CD2 . TRP A 261 ? 0.1973 0.2631 0.2339 -0.0232 0.0317 -0.0129 261 TRP A CD2 2089 N NE1 . TRP A 261 ? 0.1985 0.2623 0.2270 -0.0222 0.0317 -0.0130 261 TRP A NE1 2090 C CE2 . TRP A 261 ? 0.1971 0.2637 0.2309 -0.0238 0.0309 -0.0138 261 TRP A CE2 2091 C CE3 . TRP A 261 ? 0.1976 0.2660 0.2403 -0.0246 0.0308 -0.0134 261 TRP A CE3 2092 C CZ2 . TRP A 261 ? 0.1962 0.2660 0.2325 -0.0256 0.0293 -0.0153 261 TRP A CZ2 2093 C CZ3 . TRP A 261 ? 0.1953 0.2670 0.2405 -0.0263 0.0289 -0.0149 261 TRP A CZ3 2094 C CH2 . TRP A 261 ? 0.1949 0.2673 0.2367 -0.0268 0.0282 -0.0159 261 TRP A CH2 2095 N N . GLU A 262 ? 0.2307 0.2840 0.2554 -0.0155 0.0364 -0.0082 262 GLU A N 2096 C CA . GLU A 262 ? 0.2563 0.3076 0.2819 -0.0144 0.0380 -0.0076 262 GLU A CA 2097 C C . GLU A 262 ? 0.2628 0.3096 0.2879 -0.0128 0.0426 -0.0071 262 GLU A C 2098 O O . GLU A 262 ? 0.2429 0.2888 0.2718 -0.0127 0.0447 -0.0067 262 GLU A O 2099 C CB . GLU A 262 ? 0.2853 0.3357 0.3064 -0.0131 0.0362 -0.0074 262 GLU A CB 2100 C CG . GLU A 262 ? 0.3308 0.3785 0.3448 -0.0113 0.0361 -0.0076 262 GLU A CG 2101 C CD . GLU A 262 ? 0.3782 0.4207 0.3877 -0.0088 0.0394 -0.0073 262 GLU A CD 2102 O OE1 . GLU A 262 ? 0.4147 0.4555 0.4260 -0.0082 0.0418 -0.0068 262 GLU A OE1 2103 O OE2 . GLU A 262 ? 0.4299 0.4699 0.4338 -0.0073 0.0398 -0.0073 262 GLU A OE2 2104 N N . ASN A 263 ? 0.2612 0.3051 0.2817 -0.0116 0.0444 -0.0070 263 ASN A N 2105 C CA . ASN A 263 ? 0.2627 0.3020 0.2819 -0.0098 0.0490 -0.0063 263 ASN A CA 2106 C C . ASN A 263 ? 0.2576 0.2971 0.2839 -0.0109 0.0520 -0.0063 263 ASN A C 2107 O O . ASN A 263 ? 0.2528 0.2885 0.2794 -0.0095 0.0562 -0.0055 263 ASN A O 2108 C CB . ASN A 263 ? 0.2695 0.3057 0.2821 -0.0080 0.0501 -0.0060 263 ASN A CB 2109 C CG . ASN A 263 ? 0.2848 0.3189 0.2898 -0.0060 0.0484 -0.0059 263 ASN A CG 2110 O OD1 . ASN A 263 ? 0.2914 0.3233 0.2944 -0.0046 0.0493 -0.0057 263 ASN A OD1 2111 N ND2 . ASN A 263 ? 0.2874 0.3222 0.2886 -0.0058 0.0460 -0.0064 263 ASN A ND2 2112 N N . ILE A 264 ? 0.2391 0.2828 0.2712 -0.0133 0.0500 -0.0072 264 ILE A N 2113 C CA . ILE A 264 ? 0.2335 0.2778 0.2735 -0.0144 0.0524 -0.0075 264 ILE A CA 2114 C C . ILE A 264 ? 0.2302 0.2772 0.2767 -0.0157 0.0511 -0.0077 264 ILE A C 2115 O O . ILE A 264 ? 0.2293 0.2780 0.2834 -0.0170 0.0518 -0.0082 264 ILE A O 2116 C CB . ILE A 264 ? 0.2321 0.2789 0.2753 -0.0161 0.0515 -0.0086 264 ILE A CB 2117 C CG1 . ILE A 264 ? 0.2298 0.2816 0.2733 -0.0180 0.0464 -0.0097 264 ILE A CG1 2118 C CG2 . ILE A 264 ? 0.2379 0.2813 0.2758 -0.0146 0.0538 -0.0082 264 ILE A CG2 2119 C CD1 . ILE A 264 ? 0.2280 0.2830 0.2769 -0.0200 0.0454 -0.0112 264 ILE A CD1 2120 N N . TYR A 265 ? 0.2257 0.2731 0.2695 -0.0152 0.0492 -0.0072 265 TYR A N 2121 C CA . TYR A 265 ? 0.2294 0.2791 0.2793 -0.0161 0.0480 -0.0071 265 TYR A CA 2122 C C . TYR A 265 ? 0.2409 0.2889 0.2978 -0.0161 0.0520 -0.0070 265 TYR A C 2123 O O . TYR A 265 ? 0.2419 0.2930 0.3066 -0.0176 0.0507 -0.0074 265 TYR A O 2124 C CB . TYR A 265 ? 0.2206 0.2696 0.2664 -0.0150 0.0467 -0.0065 265 TYR A CB 2125 C CG . TYR A 265 ? 0.2132 0.2644 0.2654 -0.0159 0.0456 -0.0063 265 TYR A CG 2126 C CD1 . TYR A 265 ? 0.2084 0.2646 0.2659 -0.0180 0.0419 -0.0067 265 TYR A CD1 2127 C CD2 . TYR A 265 ? 0.2158 0.2641 0.2684 -0.0146 0.0483 -0.0058 265 TYR A CD2 2128 C CE1 . TYR A 265 ? 0.2087 0.2669 0.2720 -0.0186 0.0406 -0.0063 265 TYR A CE1 2129 C CE2 . TYR A 265 ? 0.2181 0.2684 0.2769 -0.0153 0.0473 -0.0056 265 TYR A CE2 2130 C CZ . TYR A 265 ? 0.2129 0.2683 0.2772 -0.0174 0.0434 -0.0057 265 TYR A CZ 2131 O OH . TYR A 265 ? 0.2197 0.2771 0.2903 -0.0180 0.0422 -0.0054 265 TYR A OH 2132 N N . ASP A 266 ? 0.2631 0.3061 0.3173 -0.0142 0.0567 -0.0062 266 ASP A N 2133 C CA . ASP A 266 ? 0.2951 0.3362 0.3562 -0.0140 0.0611 -0.0059 266 ASP A CA 2134 C C . ASP A 266 ? 0.3001 0.3434 0.3696 -0.0158 0.0616 -0.0069 266 ASP A C 2135 O O . ASP A 266 ? 0.2871 0.3309 0.3651 -0.0164 0.0633 -0.0071 266 ASP A O 2136 C CB . ASP A 266 ? 0.3193 0.3542 0.3751 -0.0114 0.0665 -0.0048 266 ASP A CB 2137 C CG . ASP A 266 ? 0.3504 0.3829 0.4015 -0.0106 0.0683 -0.0045 266 ASP A CG 2138 O OD1 . ASP A 266 ? 0.3525 0.3849 0.3959 -0.0099 0.0658 -0.0046 266 ASP A OD1 2139 O OD2 . ASP A 266 ? 0.3807 0.4112 0.4362 -0.0105 0.0724 -0.0043 266 ASP A OD2 2140 N N . MET A 267 ? 0.3121 0.3568 0.3797 -0.0165 0.0600 -0.0076 267 MET A N 2141 C CA . MET A 267 ? 0.3239 0.3710 0.3993 -0.0182 0.0600 -0.0089 267 MET A CA 2142 C C . MET A 267 ? 0.3122 0.3651 0.3934 -0.0205 0.0549 -0.0102 267 MET A C 2143 O O . MET A 267 ? 0.3217 0.3769 0.4113 -0.0220 0.0547 -0.0115 267 MET A O 2144 C CB . MET A 267 ? 0.3511 0.3975 0.4224 -0.0181 0.0603 -0.0093 267 MET A CB 2145 C CG . MET A 267 ? 0.3950 0.4359 0.4635 -0.0161 0.0659 -0.0082 267 MET A CG 2146 S SD . MET A 267 ? 0.4413 0.4816 0.5052 -0.0161 0.0658 -0.0086 267 MET A SD 2147 C CE . MET A 267 ? 0.4490 0.4948 0.5226 -0.0191 0.0628 -0.0111 267 MET A CE 2148 N N . VAL A 268 ? 0.2914 0.3466 0.3680 -0.0208 0.0507 -0.0100 268 VAL A N 2149 C CA . VAL A 268 ? 0.2840 0.3447 0.3646 -0.0227 0.0457 -0.0110 268 VAL A CA 2150 C C . VAL A 268 ? 0.2772 0.3397 0.3619 -0.0230 0.0440 -0.0104 268 VAL A C 2151 O O . VAL A 268 ? 0.2803 0.3470 0.3698 -0.0245 0.0403 -0.0111 268 VAL A O 2152 C CB . VAL A 268 ? 0.2894 0.3524 0.3632 -0.0233 0.0418 -0.0114 268 VAL A CB 2153 C CG1 . VAL A 268 ? 0.2922 0.3532 0.3622 -0.0229 0.0438 -0.0119 268 VAL A CG1 2154 C CG2 . VAL A 268 ? 0.2929 0.3550 0.3597 -0.0222 0.0404 -0.0101 268 VAL A CG2 2155 N N . VAL A 269 ? 0.2755 0.3347 0.3582 -0.0215 0.0466 -0.0091 269 VAL A N 2156 C CA . VAL A 269 ? 0.2761 0.3368 0.3622 -0.0216 0.0450 -0.0084 269 VAL A CA 2157 C C . VAL A 269 ? 0.2847 0.3485 0.3818 -0.0231 0.0441 -0.0092 269 VAL A C 2158 O O . VAL A 269 ? 0.2791 0.3411 0.3823 -0.0230 0.0477 -0.0096 269 VAL A O 2159 C CB . VAL A 269 ? 0.2733 0.3295 0.3562 -0.0196 0.0487 -0.0072 269 VAL A CB 2160 C CG1 . VAL A 269 ? 0.2759 0.3276 0.3604 -0.0185 0.0546 -0.0071 269 VAL A CG1 2161 C CG2 . VAL A 269 ? 0.2804 0.3381 0.3683 -0.0199 0.0475 -0.0067 269 VAL A CG2 2162 N N . PRO A 270 ? 0.2934 0.3617 0.3932 -0.0244 0.0391 -0.0094 270 PRO A N 2163 C CA . PRO A 270 ? 0.3080 0.3797 0.4179 -0.0257 0.0372 -0.0102 270 PRO A CA 2164 C C . PRO A 270 ? 0.3135 0.3834 0.4313 -0.0252 0.0405 -0.0098 270 PRO A C 2165 O O . PRO A 270 ? 0.3490 0.4193 0.4754 -0.0259 0.0419 -0.0108 270 PRO A O 2166 C CB . PRO A 270 ? 0.3054 0.3814 0.4141 -0.0266 0.0316 -0.0098 270 PRO A CB 2167 C CG . PRO A 270 ? 0.3082 0.3838 0.4068 -0.0262 0.0303 -0.0094 270 PRO A CG 2168 C CD . PRO A 270 ? 0.3029 0.3734 0.3963 -0.0245 0.0350 -0.0087 270 PRO A CD 2169 N N . PHE A 271 ? 0.3117 0.3796 0.4269 -0.0241 0.0417 -0.0084 271 PHE A N 2170 C CA . PHE A 271 ? 0.3136 0.3799 0.4363 -0.0236 0.0447 -0.0079 271 PHE A CA 2171 C C . PHE A 271 ? 0.3396 0.4003 0.4571 -0.0217 0.0502 -0.0070 271 PHE A C 2172 O O . PHE A 271 ? 0.3227 0.3821 0.4365 -0.0207 0.0503 -0.0061 271 PHE A O 2173 C CB . PHE A 271 ? 0.2999 0.3697 0.4267 -0.0242 0.0407 -0.0072 271 PHE A CB 2174 C CG . PHE A 271 ? 0.2911 0.3663 0.4217 -0.0258 0.0350 -0.0079 271 PHE A CG 2175 C CD1 . PHE A 271 ? 0.2937 0.3712 0.4346 -0.0269 0.0342 -0.0091 271 PHE A CD1 2176 C CD2 . PHE A 271 ? 0.2889 0.3667 0.4125 -0.0262 0.0305 -0.0075 271 PHE A CD2 2177 C CE1 . PHE A 271 ? 0.2877 0.3700 0.4314 -0.0282 0.0288 -0.0099 271 PHE A CE1 2178 C CE2 . PHE A 271 ? 0.2868 0.3692 0.4129 -0.0276 0.0255 -0.0081 271 PHE A CE2 2179 C CZ . PHE A 271 ? 0.2939 0.3787 0.4298 -0.0285 0.0244 -0.0094 271 PHE A CZ 2180 N N . PRO A 272 ? 0.3840 0.4412 0.5013 -0.0211 0.0549 -0.0074 272 PRO A N 2181 C CA . PRO A 272 ? 0.4261 0.4775 0.5376 -0.0190 0.0605 -0.0066 272 PRO A CA 2182 C C . PRO A 272 ? 0.4624 0.5110 0.5772 -0.0179 0.0641 -0.0058 272 PRO A C 2183 O O . PRO A 272 ? 0.4936 0.5373 0.6019 -0.0160 0.0682 -0.0051 272 PRO A O 2184 C CB . PRO A 272 ? 0.4096 0.4588 0.5240 -0.0190 0.0644 -0.0071 272 PRO A CB 2185 C CG . PRO A 272 ? 0.4029 0.4569 0.5212 -0.0209 0.0600 -0.0085 272 PRO A CG 2186 C CD . PRO A 272 ? 0.3786 0.4374 0.5021 -0.0223 0.0550 -0.0087 272 PRO A CD 2187 N N . ASP A 273 ? 0.4866 0.5380 0.6113 -0.0190 0.0626 -0.0060 273 ASP A N 2188 C CA . ASP A 273 ? 0.4818 0.5308 0.6108 -0.0181 0.0661 -0.0054 273 ASP A CA 2189 C C . ASP A 273 ? 0.4690 0.5189 0.5943 -0.0177 0.0634 -0.0048 273 ASP A C 2190 O O . ASP A 273 ? 0.4710 0.5189 0.5993 -0.0169 0.0661 -0.0043 273 ASP A O 2191 C CB . ASP A 273 ? 0.5145 0.5654 0.6575 -0.0194 0.0669 -0.0059 273 ASP A CB 2192 C CG . ASP A 273 ? 0.5241 0.5702 0.6715 -0.0181 0.0737 -0.0055 273 ASP A CG 2193 O OD1 . ASP A 273 ? 0.5314 0.5727 0.6733 -0.0166 0.0790 -0.0051 273 ASP A OD1 2194 O OD2 . ASP A 273 ? 0.5330 0.5803 0.6895 -0.0185 0.0740 -0.0054 273 ASP A OD2 2195 N N . LYS A 274 ? 0.4481 0.5009 0.5672 -0.0182 0.0583 -0.0047 274 LYS A N 2196 C CA . LYS A 274 ? 0.4252 0.4786 0.5399 -0.0177 0.0558 -0.0041 274 LYS A CA 2197 C C . LYS A 274 ? 0.4252 0.4739 0.5286 -0.0157 0.0586 -0.0040 274 LYS A C 2198 O O . LYS A 274 ? 0.4173 0.4630 0.5159 -0.0149 0.0614 -0.0042 274 LYS A O 2199 C CB . LYS A 274 ? 0.4147 0.4733 0.5283 -0.0191 0.0493 -0.0040 274 LYS A CB 2200 C CG . LYS A 274 ? 0.4096 0.4729 0.5327 -0.0210 0.0458 -0.0043 274 LYS A CG 2201 C CD . LYS A 274 ? 0.4155 0.4797 0.5493 -0.0213 0.0466 -0.0040 274 LYS A CD 2202 C CE . LYS A 274 ? 0.4078 0.4732 0.5416 -0.0210 0.0443 -0.0030 274 LYS A CE 2203 N NZ . LYS A 274 ? 0.4228 0.4896 0.5679 -0.0215 0.0444 -0.0026 274 LYS A NZ 2204 N N . PRO A 275 ? 0.4299 0.4778 0.5292 -0.0149 0.0576 -0.0037 275 PRO A N 2205 C CA . PRO A 275 ? 0.4267 0.4705 0.5150 -0.0129 0.0594 -0.0039 275 PRO A CA 2206 C C . PRO A 275 ? 0.3950 0.4391 0.4753 -0.0128 0.0575 -0.0041 275 PRO A C 2207 O O . PRO A 275 ? 0.3483 0.3965 0.4295 -0.0143 0.0530 -0.0041 275 PRO A O 2208 C CB . PRO A 275 ? 0.4504 0.4956 0.5377 -0.0127 0.0565 -0.0038 275 PRO A CB 2209 C CG . PRO A 275 ? 0.4676 0.5181 0.5640 -0.0148 0.0525 -0.0033 275 PRO A CG 2210 C CD . PRO A 275 ? 0.4562 0.5070 0.5612 -0.0156 0.0549 -0.0033 275 PRO A CD 2211 N N . ASN A 276 ? 0.3843 0.4237 0.4566 -0.0109 0.0609 -0.0042 276 ASN A N 2212 C CA . ASN A 276 ? 0.3631 0.4020 0.4278 -0.0106 0.0597 -0.0043 276 ASN A CA 2213 C C . ASN A 276 ? 0.3453 0.3857 0.4032 -0.0103 0.0554 -0.0046 276 ASN A C 2214 O O . ASN A 276 ? 0.3426 0.3799 0.3943 -0.0086 0.0563 -0.0049 276 ASN A O 2215 C CB . ASN A 276 ? 0.3738 0.4071 0.4326 -0.0085 0.0649 -0.0041 276 ASN A CB 2216 C CG . ASN A 276 ? 0.3797 0.4121 0.4301 -0.0078 0.0637 -0.0042 276 ASN A CG 2217 O OD1 . ASN A 276 ? 0.3659 0.4021 0.4168 -0.0093 0.0598 -0.0045 276 ASN A OD1 2218 N ND2 . ASN A 276 ? 0.3841 0.4113 0.4264 -0.0054 0.0671 -0.0039 276 ASN A ND2 2219 N N . LEU A 277 ? 0.3249 0.3696 0.3840 -0.0120 0.0510 -0.0047 277 LEU A N 2220 C CA . LEU A 277 ? 0.3199 0.3667 0.3746 -0.0121 0.0467 -0.0049 277 LEU A CA 2221 C C . LEU A 277 ? 0.3198 0.3642 0.3650 -0.0107 0.0466 -0.0053 277 LEU A C 2222 O O . LEU A 277 ? 0.3213 0.3667 0.3625 -0.0105 0.0435 -0.0056 277 LEU A O 2223 C CB . LEU A 277 ? 0.3151 0.3674 0.3745 -0.0143 0.0422 -0.0046 277 LEU A CB 2224 C CG . LEU A 277 ? 0.3205 0.3757 0.3894 -0.0157 0.0414 -0.0041 277 LEU A CG 2225 C CD1 . LEU A 277 ? 0.3044 0.3648 0.3764 -0.0176 0.0367 -0.0037 277 LEU A CD1 2226 C CD2 . LEU A 277 ? 0.3209 0.3749 0.3918 -0.0149 0.0423 -0.0039 277 LEU A CD2 2227 N N . ASP A 278 ? 0.3134 0.3546 0.3554 -0.0098 0.0498 -0.0053 278 ASP A N 2228 C CA . ASP A 278 ? 0.3296 0.3677 0.3624 -0.0080 0.0502 -0.0056 278 ASP A CA 2229 C C . ASP A 278 ? 0.3226 0.3558 0.3505 -0.0055 0.0535 -0.0057 278 ASP A C 2230 O O . ASP A 278 ? 0.3151 0.3450 0.3439 -0.0046 0.0580 -0.0052 278 ASP A O 2231 C CB . ASP A 278 ? 0.3604 0.3975 0.3920 -0.0081 0.0521 -0.0053 278 ASP A CB 2232 C CG . ASP A 278 ? 0.4009 0.4351 0.4232 -0.0062 0.0521 -0.0055 278 ASP A CG 2233 O OD1 . ASP A 278 ? 0.4139 0.4460 0.4301 -0.0045 0.0513 -0.0059 278 ASP A OD1 2234 O OD2 . ASP A 278 ? 0.4257 0.4595 0.4470 -0.0064 0.0529 -0.0053 278 ASP A OD2 2235 N N . VAL A 279 ? 0.2933 0.3259 0.3161 -0.0044 0.0514 -0.0064 279 VAL A N 2236 C CA . VAL A 279 ? 0.2787 0.3070 0.2969 -0.0021 0.0538 -0.0069 279 VAL A CA 2237 C C . VAL A 279 ? 0.2787 0.3022 0.2868 0.0005 0.0554 -0.0071 279 VAL A C 2238 O O . VAL A 279 ? 0.2858 0.3056 0.2884 0.0027 0.0568 -0.0078 279 VAL A O 2239 C CB . VAL A 279 ? 0.2730 0.3030 0.2918 -0.0022 0.0504 -0.0078 279 VAL A CB 2240 C CG1 . VAL A 279 ? 0.2685 0.3031 0.2971 -0.0046 0.0488 -0.0073 279 VAL A CG1 2241 C CG2 . VAL A 279 ? 0.2651 0.2965 0.2788 -0.0019 0.0463 -0.0086 279 VAL A CG2 2242 N N . THR A 280 ? 0.2708 0.2945 0.2765 0.0003 0.0550 -0.0067 280 THR A N 2243 C CA . THR A 280 ? 0.2792 0.2986 0.2756 0.0028 0.0564 -0.0066 280 THR A CA 2244 C C . THR A 280 ? 0.2902 0.3038 0.2823 0.0053 0.0617 -0.0061 280 THR A C 2245 O O . THR A 280 ? 0.2961 0.3060 0.2798 0.0079 0.0620 -0.0067 280 THR A O 2246 C CB . THR A 280 ? 0.2765 0.2967 0.2728 0.0021 0.0565 -0.0058 280 THR A CB 2247 O OG1 . THR A 280 ? 0.2820 0.3070 0.2804 0.0002 0.0516 -0.0064 280 THR A OG1 2248 C CG2 . THR A 280 ? 0.2855 0.3008 0.2724 0.0049 0.0584 -0.0054 280 THR A CG2 2249 N N . SER A 281 ? 0.2977 0.3107 0.2957 0.0046 0.0658 -0.0051 281 SER A N 2250 C CA . SER A 281 ? 0.3176 0.3248 0.3119 0.0069 0.0715 -0.0044 281 SER A CA 2251 C C . SER A 281 ? 0.3129 0.3182 0.3053 0.0082 0.0722 -0.0054 281 SER A C 2252 O O . SER A 281 ? 0.3281 0.3280 0.3135 0.0109 0.0758 -0.0052 281 SER A O 2253 C CB . SER A 281 ? 0.3222 0.3294 0.3247 0.0056 0.0758 -0.0032 281 SER A CB 2254 O OG . SER A 281 ? 0.3458 0.3566 0.3579 0.0034 0.0750 -0.0036 281 SER A OG 2255 N N . THR A 282 ? 0.3056 0.3150 0.3041 0.0063 0.0690 -0.0063 282 THR A N 2256 C CA . THR A 282 ? 0.3016 0.3097 0.2989 0.0074 0.0689 -0.0075 282 THR A CA 2257 C C . THR A 282 ? 0.2972 0.3035 0.2846 0.0095 0.0659 -0.0089 282 THR A C 2258 O O . THR A 282 ? 0.2922 0.2946 0.2738 0.0118 0.0676 -0.0099 282 THR A O 2259 C CB . THR A 282 ? 0.2993 0.3125 0.3066 0.0047 0.0661 -0.0079 282 THR A CB 2260 O OG1 . THR A 282 ? 0.3083 0.3229 0.3248 0.0030 0.0689 -0.0068 282 THR A OG1 2261 C CG2 . THR A 282 ? 0.2951 0.3069 0.3018 0.0058 0.0663 -0.0092 282 THR A CG2 2262 N N . MET A 283 ? 0.2888 0.2979 0.2745 0.0088 0.0614 -0.0092 283 MET A N 2263 C CA . MET A 283 ? 0.2912 0.2989 0.2682 0.0108 0.0582 -0.0106 283 MET A CA 2264 C C . MET A 283 ? 0.3067 0.3083 0.2731 0.0142 0.0615 -0.0103 283 MET A C 2265 O O . MET A 283 ? 0.3164 0.3148 0.2753 0.0167 0.0609 -0.0117 283 MET A O 2266 C CB . MET A 283 ? 0.2787 0.2905 0.2567 0.0093 0.0534 -0.0107 283 MET A CB 2267 C CG . MET A 283 ? 0.2612 0.2788 0.2476 0.0065 0.0495 -0.0112 283 MET A CG 2268 S SD . MET A 283 ? 0.2611 0.2831 0.2486 0.0048 0.0448 -0.0110 283 MET A SD 2269 C CE . MET A 283 ? 0.2553 0.2752 0.2339 0.0073 0.0416 -0.0128 283 MET A CE 2270 N N . LEU A 284 ? 0.3261 0.3259 0.2919 0.0144 0.0648 -0.0085 284 LEU A N 2271 C CA . LEU A 284 ? 0.3620 0.3557 0.3182 0.0176 0.0686 -0.0076 284 LEU A CA 2272 C C . LEU A 284 ? 0.3774 0.3665 0.3310 0.0195 0.0735 -0.0077 284 LEU A C 2273 O O . LEU A 284 ? 0.4004 0.3849 0.3442 0.0226 0.0741 -0.0085 284 LEU A O 2274 C CB . LEU A 284 ? 0.3695 0.3626 0.3276 0.0170 0.0716 -0.0055 284 LEU A CB 2275 C CG . LEU A 284 ? 0.3776 0.3742 0.3361 0.0158 0.0673 -0.0054 284 LEU A CG 2276 C CD1 . LEU A 284 ? 0.3831 0.3796 0.3454 0.0148 0.0705 -0.0035 284 LEU A CD1 2277 C CD2 . LEU A 284 ? 0.3801 0.3741 0.3279 0.0186 0.0646 -0.0062 284 LEU A CD2 2278 N N . GLN A 285 ? 0.3861 0.3762 0.3485 0.0177 0.0766 -0.0071 285 GLN A N 2279 C CA . GLN A 285 ? 0.4072 0.3933 0.3687 0.0192 0.0815 -0.0072 285 GLN A CA 2280 C C . GLN A 285 ? 0.3892 0.3744 0.3460 0.0206 0.0791 -0.0096 285 GLN A C 2281 O O . GLN A 285 ? 0.3824 0.3623 0.3313 0.0235 0.0823 -0.0101 285 GLN A O 2282 C CB . GLN A 285 ? 0.4472 0.4358 0.4210 0.0165 0.0843 -0.0064 285 GLN A CB 2283 C CG . GLN A 285 ? 0.5255 0.5102 0.4999 0.0177 0.0897 -0.0064 285 GLN A CG 2284 C CD . GLN A 285 ? 0.5640 0.5527 0.5479 0.0155 0.0878 -0.0077 285 GLN A CD 2285 O OE1 . GLN A 285 ? 0.5971 0.5899 0.5920 0.0127 0.0875 -0.0069 285 GLN A OE1 2286 N NE2 . GLN A 285 ? 0.5713 0.5589 0.5510 0.0168 0.0863 -0.0096 285 GLN A NE2 2287 N N . GLN A 286 ? 0.3594 0.3497 0.3209 0.0187 0.0735 -0.0111 286 GLN A N 2288 C CA . GLN A 286 ? 0.3448 0.3349 0.3030 0.0198 0.0706 -0.0136 286 GLN A CA 2289 C C . GLN A 286 ? 0.3483 0.3359 0.2950 0.0226 0.0675 -0.0149 286 GLN A C 2290 O O . GLN A 286 ? 0.3482 0.3343 0.2904 0.0242 0.0657 -0.0172 286 GLN A O 2291 C CB . GLN A 286 ? 0.3389 0.3352 0.3068 0.0167 0.0660 -0.0145 286 GLN A CB 2292 C CG . GLN A 286 ? 0.3395 0.3380 0.3184 0.0145 0.0685 -0.0138 286 GLN A CG 2293 C CD . GLN A 286 ? 0.3246 0.3291 0.3126 0.0118 0.0638 -0.0145 286 GLN A CD 2294 O OE1 . GLN A 286 ? 0.3087 0.3159 0.2953 0.0114 0.0589 -0.0154 286 GLN A OE1 2295 N NE2 . GLN A 286 ? 0.3197 0.3263 0.3174 0.0099 0.0654 -0.0139 286 GLN A NE2 2296 N N . GLY A 287 ? 0.3416 0.3287 0.2841 0.0231 0.0668 -0.0136 287 GLY A N 2297 C CA . GLY A 287 ? 0.3527 0.3372 0.2843 0.0259 0.0639 -0.0147 287 GLY A CA 2298 C C . GLY A 287 ? 0.3448 0.3336 0.2779 0.0250 0.0571 -0.0167 287 GLY A C 2299 O O . GLY A 287 ? 0.3519 0.3388 0.2776 0.0273 0.0542 -0.0188 287 GLY A O 2300 N N . TRP A 288 ? 0.3246 0.3192 0.2675 0.0216 0.0545 -0.0162 288 TRP A N 2301 C CA . TRP A 288 ? 0.3146 0.3134 0.2597 0.0204 0.0484 -0.0177 288 TRP A CA 2302 C C . TRP A 288 ? 0.3174 0.3146 0.2546 0.0223 0.0461 -0.0177 288 TRP A C 2303 O O . TRP A 288 ? 0.3186 0.3139 0.2529 0.0229 0.0487 -0.0157 288 TRP A O 2304 C CB . TRP A 288 ? 0.2964 0.3011 0.2523 0.0166 0.0468 -0.0165 288 TRP A CB 2305 C CG . TRP A 288 ? 0.2939 0.3014 0.2587 0.0145 0.0473 -0.0168 288 TRP A CG 2306 C CD1 . TRP A 288 ? 0.2919 0.2976 0.2595 0.0144 0.0517 -0.0161 288 TRP A CD1 2307 C CD2 . TRP A 288 ? 0.2824 0.2950 0.2548 0.0122 0.0433 -0.0176 288 TRP A CD2 2308 N NE1 . TRP A 288 ? 0.2854 0.2948 0.2620 0.0122 0.0505 -0.0165 288 TRP A NE1 2309 C CE2 . TRP A 288 ? 0.2748 0.2884 0.2543 0.0108 0.0454 -0.0173 288 TRP A CE2 2310 C CE3 . TRP A 288 ? 0.2815 0.2977 0.2556 0.0112 0.0384 -0.0184 288 TRP A CE3 2311 C CZ2 . TRP A 288 ? 0.2691 0.2873 0.2570 0.0086 0.0426 -0.0177 288 TRP A CZ2 2312 C CZ3 . TRP A 288 ? 0.2685 0.2891 0.2510 0.0089 0.0358 -0.0187 288 TRP A CZ3 2313 C CH2 . TRP A 288 ? 0.2663 0.2879 0.2554 0.0077 0.0379 -0.0183 288 TRP A CH2 2314 N N . GLN A 289 ? 0.3186 0.3167 0.2531 0.0233 0.0412 -0.0200 289 GLN A N 2315 C CA . GLN A 289 ? 0.3333 0.3309 0.2620 0.0248 0.0380 -0.0203 289 GLN A CA 2316 C C . GLN A 289 ? 0.3143 0.3174 0.2498 0.0225 0.0329 -0.0212 289 GLN A C 2317 O O . GLN A 289 ? 0.2973 0.3040 0.2408 0.0201 0.0318 -0.0218 289 GLN A O 2318 C CB . GLN A 289 ? 0.3567 0.3496 0.2746 0.0287 0.0367 -0.0223 289 GLN A CB 2319 C CG . GLN A 289 ? 0.4021 0.3889 0.3119 0.0315 0.0420 -0.0214 289 GLN A CG 2320 C CD . GLN A 289 ? 0.4285 0.4125 0.3340 0.0324 0.0457 -0.0184 289 GLN A CD 2321 O OE1 . GLN A 289 ? 0.4377 0.4236 0.3444 0.0317 0.0437 -0.0174 289 GLN A OE1 2322 N NE2 . GLN A 289 ? 0.4686 0.4477 0.3693 0.0342 0.0513 -0.0170 289 GLN A NE2 2323 N N . ALA A 290 ? 0.3142 0.3176 0.2465 0.0233 0.0298 -0.0214 290 ALA A N 2324 C CA . ALA A 290 ? 0.3201 0.3284 0.2587 0.0212 0.0252 -0.0223 290 ALA A CA 2325 C C . ALA A 290 ? 0.3280 0.3383 0.2702 0.0209 0.0219 -0.0250 290 ALA A C 2326 O O . ALA A 290 ? 0.3218 0.3366 0.2725 0.0182 0.0202 -0.0251 290 ALA A O 2327 C CB . ALA A 290 ? 0.3193 0.3269 0.2531 0.0226 0.0224 -0.0225 290 ALA A CB 2328 N N . THR A 291 ? 0.3470 0.3536 0.2824 0.0238 0.0212 -0.0272 291 THR A N 2329 C CA . THR A 291 ? 0.3511 0.3590 0.2896 0.0239 0.0182 -0.0301 291 THR A CA 2330 C C . THR A 291 ? 0.3312 0.3419 0.2786 0.0212 0.0202 -0.0296 291 THR A C 2331 O O . THR A 291 ? 0.3229 0.3376 0.2781 0.0192 0.0174 -0.0306 291 THR A O 2332 C CB . THR A 291 ? 0.3902 0.3931 0.3193 0.0277 0.0180 -0.0326 291 THR A CB 2333 O OG1 . THR A 291 ? 0.4324 0.4330 0.3535 0.0303 0.0155 -0.0333 291 THR A OG1 2334 C CG2 . THR A 291 ? 0.3974 0.4017 0.3303 0.0276 0.0150 -0.0359 291 THR A CG2 2335 N N . HIS A 292 ? 0.3122 0.3210 0.2590 0.0210 0.0249 -0.0278 292 HIS A N 2336 C CA . HIS A 292 ? 0.2967 0.3080 0.2522 0.0185 0.0269 -0.0271 292 HIS A CA 2337 C C . HIS A 292 ? 0.2743 0.2910 0.2389 0.0151 0.0254 -0.0254 292 HIS A C 2338 O O . HIS A 292 ? 0.2582 0.2783 0.2306 0.0131 0.0240 -0.0258 292 HIS A O 2339 C CB . HIS A 292 ? 0.3193 0.3276 0.2731 0.0188 0.0325 -0.0253 292 HIS A CB 2340 C CG . HIS A 292 ? 0.3370 0.3395 0.2812 0.0223 0.0348 -0.0266 292 HIS A CG 2341 N ND1 . HIS A 292 ? 0.3540 0.3522 0.2884 0.0249 0.0362 -0.0259 292 HIS A ND1 2342 C CD2 . HIS A 292 ? 0.3504 0.3504 0.2930 0.0236 0.0361 -0.0285 292 HIS A CD2 2343 C CE1 . HIS A 292 ? 0.3610 0.3543 0.2876 0.0278 0.0383 -0.0272 292 HIS A CE1 2344 N NE2 . HIS A 292 ? 0.3612 0.3555 0.2926 0.0271 0.0383 -0.0289 292 HIS A NE2 2345 N N . MET A 293 ? 0.2602 0.2776 0.2237 0.0144 0.0258 -0.0235 293 MET A N 2346 C CA . MET A 293 ? 0.2457 0.2680 0.2170 0.0112 0.0247 -0.0218 293 MET A CA 2347 C C . MET A 293 ? 0.2364 0.2622 0.2122 0.0102 0.0201 -0.0233 293 MET A C 2348 O O . MET A 293 ? 0.2214 0.2512 0.2053 0.0078 0.0193 -0.0227 293 MET A O 2349 C CB . MET A 293 ? 0.2469 0.2687 0.2152 0.0111 0.0259 -0.0200 293 MET A CB 2350 C CG . MET A 293 ? 0.2498 0.2686 0.2157 0.0116 0.0308 -0.0183 293 MET A CG 2351 S SD . MET A 293 ? 0.2683 0.2847 0.2283 0.0127 0.0326 -0.0166 293 MET A SD 2352 C CE . MET A 293 ? 0.2551 0.2772 0.2239 0.0089 0.0315 -0.0151 293 MET A CE 2353 N N . PHE A 294 ? 0.2374 0.2618 0.2082 0.0123 0.0173 -0.0253 294 PHE A N 2354 C CA . PHE A 294 ? 0.2331 0.2604 0.2082 0.0116 0.0129 -0.0269 294 PHE A CA 2355 C C . PHE A 294 ? 0.2301 0.2584 0.2102 0.0113 0.0120 -0.0287 294 PHE A C 2356 O O . PHE A 294 ? 0.2253 0.2574 0.2130 0.0094 0.0098 -0.0288 294 PHE A O 2357 C CB . PHE A 294 ? 0.2337 0.2591 0.2025 0.0141 0.0100 -0.0288 294 PHE A CB 2358 C CG . PHE A 294 ? 0.2337 0.2601 0.2016 0.0134 0.0095 -0.0272 294 PHE A CG 2359 C CD1 . PHE A 294 ? 0.2413 0.2650 0.2032 0.0144 0.0123 -0.0255 294 PHE A CD1 2360 C CD2 . PHE A 294 ? 0.2263 0.2565 0.2000 0.0116 0.0067 -0.0273 294 PHE A CD2 2361 C CE1 . PHE A 294 ? 0.2377 0.2625 0.1994 0.0136 0.0121 -0.0240 294 PHE A CE1 2362 C CE2 . PHE A 294 ? 0.2282 0.2596 0.2015 0.0109 0.0065 -0.0259 294 PHE A CE2 2363 C CZ . PHE A 294 ? 0.2328 0.2614 0.2001 0.0119 0.0091 -0.0243 294 PHE A CZ 2364 N N . ARG A 295 ? 0.2316 0.2565 0.2077 0.0132 0.0137 -0.0299 295 ARG A N 2365 C CA . ARG A 295 ? 0.2320 0.2577 0.2131 0.0129 0.0131 -0.0317 295 ARG A CA 2366 C C . ARG A 295 ? 0.2256 0.2544 0.2154 0.0101 0.0151 -0.0295 295 ARG A C 2367 O O . ARG A 295 ? 0.2186 0.2502 0.2158 0.0087 0.0135 -0.0301 295 ARG A O 2368 C CB . ARG A 295 ? 0.2477 0.2686 0.2218 0.0158 0.0146 -0.0338 295 ARG A CB 2369 C CG . ARG A 295 ? 0.2538 0.2721 0.2205 0.0188 0.0114 -0.0368 295 ARG A CG 2370 C CD . ARG A 295 ? 0.2555 0.2764 0.2281 0.0184 0.0070 -0.0396 295 ARG A CD 2371 N NE . ARG A 295 ? 0.2684 0.2870 0.2344 0.0213 0.0035 -0.0426 295 ARG A NE 2372 C CZ . ARG A 295 ? 0.2715 0.2915 0.2411 0.0217 -0.0006 -0.0457 295 ARG A CZ 2373 N NH1 . ARG A 295 ? 0.2630 0.2867 0.2430 0.0194 -0.0016 -0.0460 295 ARG A NH1 2374 N NH2 . ARG A 295 ? 0.2820 0.2997 0.2451 0.0245 -0.0039 -0.0485 295 ARG A NH2 2375 N N . VAL A 296 ? 0.2237 0.2522 0.2130 0.0092 0.0185 -0.0270 296 VAL A N 2376 C CA . VAL A 296 ? 0.2267 0.2581 0.2240 0.0066 0.0202 -0.0248 296 VAL A CA 2377 C C . VAL A 296 ? 0.2138 0.2501 0.2177 0.0041 0.0176 -0.0235 296 VAL A C 2378 O O . VAL A 296 ? 0.2160 0.2552 0.2274 0.0024 0.0168 -0.0230 296 VAL A O 2379 C CB . VAL A 296 ? 0.2299 0.2596 0.2252 0.0064 0.0244 -0.0227 296 VAL A CB 2380 C CG1 . VAL A 296 ? 0.2316 0.2648 0.2356 0.0037 0.0256 -0.0205 296 VAL A CG1 2381 C CG2 . VAL A 296 ? 0.2450 0.2698 0.2346 0.0088 0.0274 -0.0239 296 VAL A CG2 2382 N N . ALA A 297 ? 0.2132 0.2500 0.2140 0.0040 0.0163 -0.0230 297 ALA A N 2383 C CA . ALA A 297 ? 0.2039 0.2449 0.2099 0.0020 0.0138 -0.0220 297 ALA A CA 2384 C C . ALA A 297 ? 0.2039 0.2466 0.2144 0.0020 0.0107 -0.0238 297 ALA A C 2385 O O . ALA A 297 ? 0.1946 0.2407 0.2123 0.0000 0.0099 -0.0227 297 ALA A O 2386 C CB . ALA A 297 ? 0.2004 0.2410 0.2015 0.0024 0.0130 -0.0217 297 ALA A CB 2387 N N . GLU A 298 ? 0.2202 0.2603 0.2266 0.0043 0.0091 -0.0266 298 GLU A N 2388 C CA . GLU A 298 ? 0.2277 0.2691 0.2388 0.0044 0.0062 -0.0288 298 GLU A CA 2389 C C . GLU A 298 ? 0.2230 0.2659 0.2414 0.0032 0.0070 -0.0285 298 GLU A C 2390 O O . GLU A 298 ? 0.2113 0.2572 0.2372 0.0018 0.0054 -0.0283 298 GLU A O 2391 C CB . GLU A 298 ? 0.2471 0.2851 0.2521 0.0073 0.0044 -0.0322 298 GLU A CB 2392 C CG . GLU A 298 ? 0.2606 0.2996 0.2709 0.0077 0.0015 -0.0350 298 GLU A CG 2393 C CD . GLU A 298 ? 0.2860 0.3215 0.2900 0.0107 -0.0004 -0.0387 298 GLU A CD 2394 O OE1 . GLU A 298 ? 0.2866 0.3186 0.2845 0.0125 0.0014 -0.0396 298 GLU A OE1 2395 O OE2 . GLU A 298 ? 0.2937 0.3299 0.2986 0.0114 -0.0039 -0.0407 298 GLU A OE2 2396 N N . GLU A 299 ? 0.2281 0.2689 0.2447 0.0038 0.0098 -0.0283 299 GLU A N 2397 C CA . GLU A 299 ? 0.2306 0.2723 0.2538 0.0030 0.0107 -0.0283 299 GLU A CA 2398 C C . GLU A 299 ? 0.2149 0.2607 0.2459 0.0002 0.0112 -0.0251 299 GLU A C 2399 O O . GLU A 299 ? 0.2026 0.2504 0.2409 -0.0007 0.0108 -0.0249 299 GLU A O 2400 C CB . GLU A 299 ? 0.2429 0.2810 0.2621 0.0044 0.0138 -0.0290 299 GLU A CB 2401 C CG . GLU A 299 ? 0.2639 0.3022 0.2892 0.0043 0.0145 -0.0301 299 GLU A CG 2402 C CD . GLU A 299 ? 0.2696 0.3110 0.3031 0.0018 0.0161 -0.0271 299 GLU A CD 2403 O OE1 . GLU A 299 ? 0.2766 0.3183 0.3090 0.0009 0.0181 -0.0246 299 GLU A OE1 2404 O OE2 . GLU A 299 ? 0.2807 0.3241 0.3219 0.0009 0.0152 -0.0272 299 GLU A OE2 2405 N N . PHE A 300 ? 0.2165 0.2636 0.2460 -0.0009 0.0121 -0.0226 300 PHE A N 2406 C CA . PHE A 300 ? 0.2062 0.2572 0.2422 -0.0034 0.0120 -0.0197 300 PHE A CA 2407 C C . PHE A 300 ? 0.1986 0.2523 0.2393 -0.0042 0.0092 -0.0199 300 PHE A C 2408 O O . PHE A 300 ? 0.2005 0.2566 0.2482 -0.0055 0.0088 -0.0188 300 PHE A O 2409 C CB . PHE A 300 ? 0.2105 0.2623 0.2436 -0.0045 0.0132 -0.0175 300 PHE A CB 2410 C CG . PHE A 300 ? 0.2096 0.2648 0.2488 -0.0067 0.0137 -0.0146 300 PHE A CG 2411 C CD1 . PHE A 300 ? 0.2144 0.2730 0.2582 -0.0083 0.0118 -0.0132 300 PHE A CD1 2412 C CD2 . PHE A 300 ? 0.2154 0.2703 0.2557 -0.0072 0.0160 -0.0132 300 PHE A CD2 2413 C CE1 . PHE A 300 ? 0.2114 0.2730 0.2600 -0.0102 0.0121 -0.0105 300 PHE A CE1 2414 C CE2 . PHE A 300 ? 0.2143 0.2724 0.2600 -0.0092 0.0161 -0.0107 300 PHE A CE2 2415 C CZ . PHE A 300 ? 0.2083 0.2697 0.2578 -0.0106 0.0140 -0.0093 300 PHE A CZ 2416 N N . PHE A 301 ? 0.1971 0.2501 0.2339 -0.0033 0.0074 -0.0214 301 PHE A N 2417 C CA . PHE A 301 ? 0.1974 0.2526 0.2388 -0.0039 0.0049 -0.0219 301 PHE A CA 2418 C C . PHE A 301 ? 0.1957 0.2511 0.2433 -0.0035 0.0040 -0.0236 301 PHE A C 2419 O O . PHE A 301 ? 0.1834 0.2415 0.2382 -0.0049 0.0033 -0.0224 301 PHE A O 2420 C CB . PHE A 301 ? 0.2021 0.2561 0.2386 -0.0027 0.0031 -0.0237 301 PHE A CB 2421 C CG . PHE A 301 ? 0.2012 0.2562 0.2344 -0.0036 0.0036 -0.0218 301 PHE A CG 2422 C CD1 . PHE A 301 ? 0.1992 0.2573 0.2366 -0.0054 0.0028 -0.0202 301 PHE A CD1 2423 C CD2 . PHE A 301 ? 0.2014 0.2541 0.2274 -0.0027 0.0050 -0.0217 301 PHE A CD2 2424 C CE1 . PHE A 301 ? 0.1931 0.2521 0.2274 -0.0062 0.0032 -0.0187 301 PHE A CE1 2425 C CE2 . PHE A 301 ? 0.2097 0.2632 0.2330 -0.0035 0.0054 -0.0202 301 PHE A CE2 2426 C CZ . PHE A 301 ? 0.1965 0.2532 0.2240 -0.0053 0.0045 -0.0188 301 PHE A CZ 2427 N N . THR A 302 ? 0.2030 0.2554 0.2477 -0.0016 0.0040 -0.0264 302 THR A N 2428 C CA . THR A 302 ? 0.2043 0.2569 0.2551 -0.0012 0.0031 -0.0284 302 THR A CA 2429 C C . THR A 302 ? 0.2016 0.2557 0.2590 -0.0027 0.0051 -0.0262 302 THR A C 2430 O O . THR A 302 ? 0.1978 0.2534 0.2629 -0.0032 0.0043 -0.0265 302 THR A O 2431 C CB . THR A 302 ? 0.2214 0.2703 0.2674 0.0012 0.0025 -0.0324 302 THR A CB 2432 O OG1 . THR A 302 ? 0.2379 0.2839 0.2772 0.0022 0.0050 -0.0321 302 THR A OG1 2433 C CG2 . THR A 302 ? 0.2257 0.2734 0.2670 0.0028 -0.0002 -0.0349 302 THR A CG2 2434 N N . SER A 303 ? 0.1958 0.2496 0.2510 -0.0033 0.0074 -0.0239 303 SER A N 2435 C CA . SER A 303 ? 0.1987 0.2543 0.2606 -0.0047 0.0090 -0.0216 303 SER A CA 2436 C C . SER A 303 ? 0.2020 0.2614 0.2710 -0.0066 0.0079 -0.0189 303 SER A C 2437 O O . SER A 303 ? 0.2026 0.2636 0.2789 -0.0075 0.0083 -0.0176 303 SER A O 2438 C CB . SER A 303 ? 0.1938 0.2487 0.2524 -0.0051 0.0116 -0.0196 303 SER A CB 2439 O OG . SER A 303 ? 0.1917 0.2491 0.2503 -0.0067 0.0114 -0.0167 303 SER A OG 2440 N N . LEU A 304 ? 0.2048 0.2655 0.2715 -0.0072 0.0067 -0.0181 304 LEU A N 2441 C CA . LEU A 304 ? 0.2120 0.2760 0.2841 -0.0088 0.0058 -0.0156 304 LEU A CA 2442 C C . LEU A 304 ? 0.2268 0.2914 0.3040 -0.0085 0.0040 -0.0173 304 LEU A C 2443 O O . LEU A 304 ? 0.2229 0.2899 0.3046 -0.0097 0.0035 -0.0154 304 LEU A O 2444 C CB . LEU A 304 ? 0.2080 0.2730 0.2752 -0.0096 0.0055 -0.0141 304 LEU A CB 2445 C CG . LEU A 304 ? 0.2040 0.2688 0.2665 -0.0100 0.0071 -0.0125 304 LEU A CG 2446 C CD1 . LEU A 304 ? 0.2053 0.2713 0.2639 -0.0109 0.0066 -0.0113 304 LEU A CD1 2447 C CD2 . LEU A 304 ? 0.2083 0.2748 0.2758 -0.0112 0.0082 -0.0099 304 LEU A CD2 2448 N N . GLU A 305 ? 0.2466 0.3089 0.3228 -0.0068 0.0032 -0.0210 305 GLU A N 2449 C CA . GLU A 305 ? 0.2582 0.3206 0.3388 -0.0063 0.0012 -0.0234 305 GLU A CA 2450 C C . GLU A 305 ? 0.2632 0.3263 0.3413 -0.0063 -0.0003 -0.0237 305 GLU A C 2451 O O . GLU A 305 ? 0.2537 0.3182 0.3376 -0.0067 -0.0015 -0.0241 305 GLU A O 2452 C CB . GLU A 305 ? 0.2867 0.3513 0.3775 -0.0074 0.0014 -0.0220 305 GLU A CB 2453 C CG . GLU A 305 ? 0.3241 0.3873 0.4187 -0.0065 0.0019 -0.0241 305 GLU A CG 2454 C CD . GLU A 305 ? 0.3592 0.4245 0.4635 -0.0078 0.0029 -0.0216 305 GLU A CD 2455 O OE1 . GLU A 305 ? 0.3814 0.4492 0.4903 -0.0091 0.0028 -0.0187 305 GLU A OE1 2456 O OE2 . GLU A 305 ? 0.3913 0.4557 0.4984 -0.0074 0.0039 -0.0224 305 GLU A OE2 2457 N N . LEU A 306 ? 0.2530 0.3151 0.3231 -0.0060 0.0000 -0.0234 306 LEU A N 2458 C CA . LEU A 306 ? 0.2531 0.3150 0.3197 -0.0055 -0.0016 -0.0246 306 LEU A CA 2459 C C . LEU A 306 ? 0.2580 0.3169 0.3200 -0.0031 -0.0033 -0.0288 306 LEU A C 2460 O O . LEU A 306 ? 0.2590 0.3160 0.3205 -0.0020 -0.0031 -0.0307 306 LEU A O 2461 C CB . LEU A 306 ? 0.2514 0.3138 0.3122 -0.0064 -0.0004 -0.0220 306 LEU A CB 2462 C CG . LEU A 306 ? 0.2553 0.3207 0.3202 -0.0086 0.0008 -0.0181 306 LEU A CG 2463 C CD1 . LEU A 306 ? 0.2596 0.3253 0.3186 -0.0094 0.0020 -0.0160 306 LEU A CD1 2464 C CD2 . LEU A 306 ? 0.2499 0.3175 0.3208 -0.0095 -0.0001 -0.0174 306 LEU A CD2 2465 N N . SER A 307 ? 0.2454 0.3037 0.3041 -0.0023 -0.0052 -0.0303 307 SER A N 2466 C CA . SER A 307 ? 0.2555 0.3112 0.3107 0.0000 -0.0074 -0.0344 307 SER A CA 2467 C C . SER A 307 ? 0.2497 0.3022 0.2947 0.0017 -0.0067 -0.0352 307 SER A C 2468 O O . SER A 307 ? 0.2422 0.2945 0.2823 0.0012 -0.0050 -0.0328 307 SER A O 2469 C CB . SER A 307 ? 0.2628 0.3193 0.3195 0.0003 -0.0100 -0.0360 307 SER A CB 2470 O OG . SER A 307 ? 0.2716 0.3308 0.3381 -0.0010 -0.0104 -0.0353 307 SER A OG 2471 N N . PRO A 308 ? 0.2464 0.2961 0.2883 0.0039 -0.0077 -0.0386 308 PRO A N 2472 C CA . PRO A 308 ? 0.2503 0.2964 0.2818 0.0060 -0.0071 -0.0395 308 PRO A CA 2473 C C . PRO A 308 ? 0.2459 0.2913 0.2725 0.0071 -0.0093 -0.0404 308 PRO A C 2474 O O . PRO A 308 ? 0.2375 0.2851 0.2694 0.0064 -0.0114 -0.0409 308 PRO A O 2475 C CB . PRO A 308 ? 0.2595 0.3030 0.2897 0.0081 -0.0081 -0.0432 308 PRO A CB 2476 C CG . PRO A 308 ? 0.2612 0.3069 0.3004 0.0076 -0.0109 -0.0454 308 PRO A CG 2477 C CD . PRO A 308 ? 0.2592 0.3087 0.3067 0.0047 -0.0094 -0.0418 308 PRO A CD 2478 N N . MET A 309 ? 0.2437 0.2861 0.2607 0.0088 -0.0086 -0.0404 309 MET A N 2479 C CA . MET A 309 ? 0.2536 0.2949 0.2655 0.0103 -0.0108 -0.0415 309 MET A CA 2480 C C . MET A 309 ? 0.2658 0.3054 0.2769 0.0128 -0.0145 -0.0459 309 MET A C 2481 O O . MET A 309 ? 0.2725 0.3097 0.2806 0.0144 -0.0142 -0.0479 309 MET A O 2482 C CB . MET A 309 ? 0.2539 0.2922 0.2558 0.0116 -0.0088 -0.0401 309 MET A CB 2483 C CG . MET A 309 ? 0.2518 0.2918 0.2545 0.0093 -0.0055 -0.0361 309 MET A CG 2484 S SD . MET A 309 ? 0.2503 0.2943 0.2591 0.0068 -0.0064 -0.0341 309 MET A SD 2485 C CE . MET A 309 ? 0.2428 0.2906 0.2620 0.0039 -0.0053 -0.0325 309 MET A CE 2486 N N . PRO A 310 ? 0.2681 0.3090 0.2825 0.0131 -0.0178 -0.0476 310 PRO A N 2487 C CA . PRO A 310 ? 0.2701 0.3097 0.2846 0.0155 -0.0218 -0.0522 310 PRO A CA 2488 C C . PRO A 310 ? 0.2812 0.3165 0.2838 0.0188 -0.0230 -0.0540 310 PRO A C 2489 O O . PRO A 310 ? 0.2723 0.3060 0.2676 0.0192 -0.0210 -0.0515 310 PRO A O 2490 C CB . PRO A 310 ? 0.2721 0.3144 0.2938 0.0146 -0.0246 -0.0529 310 PRO A CB 2491 C CG . PRO A 310 ? 0.2662 0.3098 0.2865 0.0129 -0.0225 -0.0490 310 PRO A CG 2492 C CD . PRO A 310 ? 0.2618 0.3055 0.2805 0.0113 -0.0182 -0.0456 310 PRO A CD 2493 N N . PRO A 311 ? 0.2912 0.3246 0.2920 0.0214 -0.0263 -0.0583 311 PRO A N 2494 C CA . PRO A 311 ? 0.2988 0.3280 0.2879 0.0249 -0.0280 -0.0603 311 PRO A CA 2495 C C . PRO A 311 ? 0.2967 0.3255 0.2812 0.0258 -0.0294 -0.0589 311 PRO A C 2496 O O . PRO A 311 ? 0.2970 0.3225 0.2711 0.0276 -0.0280 -0.0576 311 PRO A O 2497 C CB . PRO A 311 ? 0.3051 0.3337 0.2964 0.0269 -0.0325 -0.0655 311 PRO A CB 2498 C CG . PRO A 311 ? 0.2995 0.3305 0.3007 0.0247 -0.0312 -0.0659 311 PRO A CG 2499 C CD . PRO A 311 ? 0.2885 0.3233 0.2976 0.0211 -0.0285 -0.0616 311 PRO A CD 2500 N N . GLU A 312 ? 0.2941 0.3261 0.2865 0.0244 -0.0317 -0.0591 312 GLU A N 2501 C CA . GLU A 312 ? 0.3012 0.3333 0.2912 0.0248 -0.0330 -0.0578 312 GLU A CA 2502 C C . GLU A 312 ? 0.2884 0.3200 0.2734 0.0236 -0.0286 -0.0532 312 GLU A C 2503 O O . GLU A 312 ? 0.2907 0.3204 0.2689 0.0251 -0.0289 -0.0522 312 GLU A O 2504 C CB . GLU A 312 ? 0.3140 0.3502 0.3155 0.0228 -0.0351 -0.0582 312 GLU A CB 2505 C CG . GLU A 312 ? 0.3396 0.3763 0.3465 0.0243 -0.0401 -0.0630 312 GLU A CG 2506 C CD . GLU A 312 ? 0.3507 0.3888 0.3655 0.0232 -0.0400 -0.0649 312 GLU A CD 2507 O OE1 . GLU A 312 ? 0.3512 0.3899 0.3670 0.0213 -0.0361 -0.0624 312 GLU A OE1 2508 O OE2 . GLU A 312 ? 0.3609 0.3997 0.3814 0.0242 -0.0439 -0.0689 312 GLU A OE2 2509 N N . PHE A 313 ? 0.2716 0.3049 0.2604 0.0209 -0.0247 -0.0506 313 PHE A N 2510 C CA . PHE A 313 ? 0.2685 0.3014 0.2534 0.0196 -0.0204 -0.0465 313 PHE A CA 2511 C C . PHE A 313 ? 0.2741 0.3025 0.2476 0.0222 -0.0186 -0.0462 313 PHE A C 2512 O O . PHE A 313 ? 0.2775 0.3042 0.2447 0.0230 -0.0174 -0.0443 313 PHE A O 2513 C CB . PHE A 313 ? 0.2594 0.2952 0.2512 0.0163 -0.0171 -0.0440 313 PHE A CB 2514 C CG . PHE A 313 ? 0.2517 0.2867 0.2393 0.0152 -0.0127 -0.0404 313 PHE A CG 2515 C CD1 . PHE A 313 ? 0.2561 0.2883 0.2380 0.0162 -0.0099 -0.0398 313 PHE A CD1 2516 C CD2 . PHE A 313 ? 0.2435 0.2808 0.2335 0.0132 -0.0114 -0.0376 313 PHE A CD2 2517 C CE1 . PHE A 313 ? 0.2523 0.2839 0.2313 0.0152 -0.0059 -0.0366 313 PHE A CE1 2518 C CE2 . PHE A 313 ? 0.2387 0.2755 0.2255 0.0121 -0.0076 -0.0346 313 PHE A CE2 2519 C CZ . PHE A 313 ? 0.2446 0.2786 0.2262 0.0131 -0.0050 -0.0341 313 PHE A CZ 2520 N N . TRP A 314 ? 0.2868 0.3131 0.2578 0.0235 -0.0183 -0.0481 314 TRP A N 2521 C CA . TRP A 314 ? 0.3051 0.3268 0.2652 0.0260 -0.0161 -0.0478 314 TRP A CA 2522 C C . TRP A 314 ? 0.3297 0.3480 0.2805 0.0297 -0.0190 -0.0496 314 TRP A C 2523 O O . TRP A 314 ? 0.3446 0.3595 0.2863 0.0314 -0.0168 -0.0478 314 TRP A O 2524 C CB . TRP A 314 ? 0.3065 0.3269 0.2664 0.0265 -0.0148 -0.0496 314 TRP A CB 2525 C CG . TRP A 314 ? 0.2927 0.3160 0.2608 0.0232 -0.0115 -0.0474 314 TRP A CG 2526 C CD1 . TRP A 314 ? 0.2857 0.3122 0.2636 0.0213 -0.0126 -0.0486 314 TRP A CD1 2527 C CD2 . TRP A 314 ? 0.2819 0.3052 0.2494 0.0215 -0.0067 -0.0436 314 TRP A CD2 2528 N NE1 . TRP A 314 ? 0.2760 0.3044 0.2589 0.0186 -0.0089 -0.0456 314 TRP A NE1 2529 C CE2 . TRP A 314 ? 0.2751 0.3017 0.2519 0.0186 -0.0054 -0.0427 314 TRP A CE2 2530 C CE3 . TRP A 314 ? 0.2825 0.3033 0.2427 0.0221 -0.0035 -0.0410 314 TRP A CE3 2531 C CZ2 . TRP A 314 ? 0.2699 0.2976 0.2491 0.0165 -0.0014 -0.0394 314 TRP A CZ2 2532 C CZ3 . TRP A 314 ? 0.2748 0.2967 0.2379 0.0198 0.0007 -0.0377 314 TRP A CZ3 2533 C CH2 . TRP A 314 ? 0.2691 0.2944 0.2415 0.0171 0.0015 -0.0371 314 TRP A CH2 2534 N N . GLU A 315 ? 0.3461 0.3652 0.2994 0.0309 -0.0241 -0.0530 315 GLU A N 2535 C CA . GLU A 315 ? 0.3790 0.3951 0.3240 0.0345 -0.0276 -0.0548 315 GLU A CA 2536 C C . GLU A 315 ? 0.3672 0.3838 0.3110 0.0342 -0.0276 -0.0522 315 GLU A C 2537 O O . GLU A 315 ? 0.3835 0.3966 0.3177 0.0370 -0.0279 -0.0516 315 GLU A O 2538 C CB . GLU A 315 ? 0.4099 0.4270 0.3589 0.0359 -0.0333 -0.0595 315 GLU A CB 2539 C CG . GLU A 315 ? 0.4506 0.4661 0.3984 0.0372 -0.0339 -0.0629 315 GLU A CG 2540 C CD . GLU A 315 ? 0.5036 0.5137 0.4377 0.0407 -0.0326 -0.0633 315 GLU A CD 2541 O OE1 . GLU A 315 ? 0.5425 0.5499 0.4685 0.0441 -0.0359 -0.0649 315 GLU A OE1 2542 O OE2 . GLU A 315 ? 0.5197 0.5283 0.4512 0.0401 -0.0282 -0.0619 315 GLU A OE2 2543 N N . GLY A 316 ? 0.3447 0.3656 0.2981 0.0310 -0.0271 -0.0505 316 GLY A N 2544 C CA . GLY A 316 ? 0.3269 0.3487 0.2809 0.0305 -0.0277 -0.0487 316 GLY A CA 2545 C C . GLY A 316 ? 0.3152 0.3370 0.2672 0.0288 -0.0229 -0.0444 316 GLY A C 2546 O O . GLY A 316 ? 0.3160 0.3370 0.2651 0.0294 -0.0229 -0.0429 316 GLY A O 2547 N N . SER A 317 ? 0.3051 0.3277 0.2591 0.0266 -0.0188 -0.0425 317 SER A N 2548 C CA . SER A 317 ? 0.3009 0.3240 0.2547 0.0246 -0.0143 -0.0387 317 SER A CA 2549 C C . SER A 317 ? 0.3201 0.3387 0.2633 0.0270 -0.0118 -0.0369 317 SER A C 2550 O O . SER A 317 ? 0.3202 0.3350 0.2556 0.0300 -0.0121 -0.0382 317 SER A O 2551 C CB . SER A 317 ? 0.2941 0.3192 0.2530 0.0219 -0.0110 -0.0373 317 SER A CB 2552 O OG . SER A 317 ? 0.2763 0.3056 0.2453 0.0194 -0.0127 -0.0382 317 SER A OG 2553 N N . MET A 318 ? 0.3179 0.3370 0.2611 0.0258 -0.0093 -0.0340 318 MET A N 2554 C CA . MET A 318 ? 0.3469 0.3620 0.2815 0.0275 -0.0060 -0.0318 318 MET A CA 2555 C C . MET A 318 ? 0.3435 0.3594 0.2805 0.0251 -0.0010 -0.0292 318 MET A C 2556 O O . MET A 318 ? 0.3226 0.3417 0.2658 0.0221 0.0005 -0.0275 318 MET A O 2557 C CB . MET A 318 ? 0.3632 0.3781 0.2964 0.0280 -0.0066 -0.0304 318 MET A CB 2558 C CG . MET A 318 ? 0.3790 0.3894 0.3029 0.0305 -0.0037 -0.0282 318 MET A CG 2559 S SD . MET A 318 ? 0.3977 0.4090 0.3234 0.0293 -0.0023 -0.0255 318 MET A SD 2560 C CE . MET A 318 ? 0.3770 0.3907 0.3084 0.0255 0.0031 -0.0229 318 MET A CE 2561 N N . LEU A 319 ? 0.3490 0.3619 0.2813 0.0263 0.0015 -0.0292 319 LEU A N 2562 C CA . LEU A 319 ? 0.3551 0.3690 0.2910 0.0239 0.0059 -0.0272 319 LEU A CA 2563 C C . LEU A 319 ? 0.3628 0.3734 0.2933 0.0247 0.0107 -0.0245 319 LEU A C 2564 O O . LEU A 319 ? 0.3665 0.3782 0.3008 0.0226 0.0143 -0.0228 319 LEU A O 2565 C CB . LEU A 319 ? 0.3591 0.3730 0.2968 0.0238 0.0060 -0.0289 319 LEU A CB 2566 C CG . LEU A 319 ? 0.3532 0.3705 0.2976 0.0228 0.0018 -0.0316 319 LEU A CG 2567 C CD1 . LEU A 319 ? 0.3627 0.3794 0.3080 0.0231 0.0024 -0.0333 319 LEU A CD1 2568 C CD2 . LEU A 319 ? 0.3502 0.3727 0.3043 0.0192 0.0012 -0.0305 319 LEU A CD2 2569 N N . GLU A 320 ? 0.3717 0.3784 0.2938 0.0277 0.0106 -0.0241 320 GLU A N 2570 C CA . GLU A 320 ? 0.3861 0.3894 0.3031 0.0287 0.0151 -0.0214 320 GLU A CA 2571 C C . GLU A 320 ? 0.3837 0.3860 0.2973 0.0301 0.0136 -0.0206 320 GLU A C 2572 O O . GLU A 320 ? 0.3747 0.3775 0.2871 0.0315 0.0090 -0.0225 320 GLU A O 2573 C CB . GLU A 320 ? 0.4163 0.4141 0.3240 0.0320 0.0176 -0.0215 320 GLU A CB 2574 C CG . GLU A 320 ? 0.4498 0.4478 0.3606 0.0306 0.0210 -0.0213 320 GLU A CG 2575 C CD . GLU A 320 ? 0.4817 0.4744 0.3835 0.0339 0.0228 -0.0222 320 GLU A CD 2576 O OE1 . GLU A 320 ? 0.5164 0.5052 0.4088 0.0375 0.0215 -0.0227 320 GLU A OE1 2577 O OE2 . GLU A 320 ? 0.4865 0.4790 0.3906 0.0330 0.0256 -0.0223 320 GLU A OE2 2578 N N . LYS A 321 ? 0.3890 0.3901 0.3018 0.0298 0.0173 -0.0178 321 LYS A N 2579 C CA . LYS A 321 ? 0.4151 0.4141 0.3234 0.0317 0.0166 -0.0167 321 LYS A CA 2580 C C . LYS A 321 ? 0.4374 0.4312 0.3346 0.0363 0.0152 -0.0174 321 LYS A C 2581 O O . LYS A 321 ? 0.4239 0.4139 0.3151 0.0381 0.0183 -0.0169 321 LYS A O 2582 C CB . LYS A 321 ? 0.4115 0.4093 0.3203 0.0308 0.0217 -0.0136 321 LYS A CB 2583 C CG . LYS A 321 ? 0.4104 0.4072 0.3173 0.0319 0.0211 -0.0123 321 LYS A CG 2584 C CD . LYS A 321 ? 0.4156 0.4125 0.3260 0.0301 0.0259 -0.0096 321 LYS A CD 2585 C CE . LYS A 321 ? 0.4244 0.4206 0.3338 0.0310 0.0253 -0.0083 321 LYS A CE 2586 N NZ . LYS A 321 ? 0.4477 0.4434 0.3602 0.0295 0.0304 -0.0058 321 LYS A NZ 2587 N N . PRO A 322 ? 0.4736 0.4672 0.3682 0.0383 0.0105 -0.0188 322 PRO A N 2588 C CA . PRO A 322 ? 0.5062 0.4948 0.3898 0.0429 0.0087 -0.0196 322 PRO A CA 2589 C C . PRO A 322 ? 0.5465 0.5296 0.4213 0.0455 0.0134 -0.0165 322 PRO A C 2590 O O . PRO A 322 ? 0.5411 0.5243 0.4181 0.0445 0.0163 -0.0138 322 PRO A O 2591 C CB . PRO A 322 ? 0.5061 0.4963 0.3907 0.0439 0.0031 -0.0211 322 PRO A CB 2592 C CG . PRO A 322 ? 0.4919 0.4882 0.3882 0.0398 0.0010 -0.0225 322 PRO A CG 2593 C CD . PRO A 322 ? 0.4659 0.4640 0.3678 0.0364 0.0062 -0.0201 322 PRO A CD 2594 N N . ALA A 323 ? 0.6125 0.5910 0.4777 0.0489 0.0143 -0.0169 323 ALA A N 2595 C CA . ALA A 323 ? 0.6825 0.6550 0.5383 0.0519 0.0192 -0.0140 323 ALA A CA 2596 C C . ALA A 323 ? 0.7325 0.7015 0.5797 0.0558 0.0167 -0.0131 323 ALA A C 2597 O O . ALA A 323 ? 0.7585 0.7235 0.6004 0.0576 0.0207 -0.0099 323 ALA A O 2598 C CB . ALA A 323 ? 0.7028 0.6715 0.5517 0.0538 0.0216 -0.0148 323 ALA A CB 2599 N N . ASP A 324 ? 0.7735 0.7438 0.6197 0.0572 0.0101 -0.0160 324 ASP A N 2600 C CA . ASP A 324 ? 0.8151 0.7828 0.6545 0.0608 0.0068 -0.0154 324 ASP A CA 2601 C C . ASP A 324 ? 0.8214 0.7913 0.6673 0.0588 0.0076 -0.0130 324 ASP A C 2602 O O . ASP A 324 ? 0.8543 0.8280 0.7098 0.0547 0.0105 -0.0121 324 ASP A O 2603 C CB . ASP A 324 ? 0.8230 0.7920 0.6610 0.0626 -0.0007 -0.0194 324 ASP A CB 2604 C CG . ASP A 324 ? 0.8357 0.8113 0.6865 0.0586 -0.0044 -0.0222 324 ASP A CG 2605 O OD1 . ASP A 324 ? 0.7973 0.7767 0.6570 0.0554 -0.0035 -0.0208 324 ASP A OD1 2606 O OD2 . ASP A 324 ? 0.8672 0.8444 0.7192 0.0587 -0.0082 -0.0258 324 ASP A OD2 2607 N N . GLY A 325 ? 0.8436 0.8114 0.6845 0.0619 0.0050 -0.0121 325 GLY A N 2608 C CA . GLY A 325 ? 0.8493 0.8187 0.6958 0.0604 0.0057 -0.0099 325 GLY A CA 2609 C C . GLY A 325 ? 0.8445 0.8201 0.7023 0.0572 0.0011 -0.0123 325 GLY A C 2610 O O . GLY A 325 ? 0.8810 0.8573 0.7390 0.0587 -0.0035 -0.0132 325 GLY A O 2611 N N . ARG A 326 ? 0.7764 0.7567 0.6437 0.0528 0.0026 -0.0133 326 ARG A N 2612 C CA . ARG A 326 ? 0.7091 0.6951 0.5869 0.0496 -0.0013 -0.0157 326 ARG A CA 2613 C C . ARG A 326 ? 0.6745 0.6646 0.5623 0.0450 0.0023 -0.0142 326 ARG A C 2614 O O . ARG A 326 ? 0.6787 0.6687 0.5677 0.0432 0.0069 -0.0130 326 ARG A O 2615 C CB . ARG A 326 ? 0.6856 0.6738 0.5653 0.0491 -0.0048 -0.0192 326 ARG A CB 2616 C CG . ARG A 326 ? 0.6453 0.6360 0.5285 0.0497 -0.0116 -0.0224 326 ARG A CG 2617 C CD . ARG A 326 ? 0.6240 0.6186 0.5139 0.0474 -0.0140 -0.0256 326 ARG A CD 2618 N NE . ARG A 326 ? 0.6176 0.6096 0.5013 0.0489 -0.0130 -0.0268 326 ARG A NE 2619 C CZ . ARG A 326 ? 0.6048 0.5995 0.4937 0.0468 -0.0135 -0.0289 326 ARG A CZ 2620 N NH1 . ARG A 326 ? 0.5948 0.5948 0.4948 0.0432 -0.0149 -0.0301 326 ARG A NH1 2621 N NH2 . ARG A 326 ? 0.6245 0.6164 0.5072 0.0484 -0.0124 -0.0299 326 ARG A NH2 2622 N N . GLU A 327 ? 0.6321 0.6254 0.5269 0.0433 0.0003 -0.0145 327 GLU A N 2623 C CA . GLU A 327 ? 0.5906 0.5883 0.4952 0.0388 0.0030 -0.0138 327 GLU A CA 2624 C C . GLU A 327 ? 0.5286 0.5313 0.4412 0.0360 -0.0001 -0.0166 327 GLU A C 2625 O O . GLU A 327 ? 0.5208 0.5246 0.4345 0.0370 -0.0051 -0.0190 327 GLU A O 2626 C CB . GLU A 327 ? 0.6179 0.6161 0.5258 0.0384 0.0033 -0.0122 327 GLU A CB 2627 C CG . GLU A 327 ? 0.6662 0.6595 0.5669 0.0411 0.0068 -0.0091 327 GLU A CG 2628 C CD . GLU A 327 ? 0.6782 0.6727 0.5846 0.0387 0.0108 -0.0070 327 GLU A CD 2629 O OE1 . GLU A 327 ? 0.6773 0.6739 0.5886 0.0355 0.0145 -0.0065 327 GLU A OE1 2630 O OE2 . GLU A 327 ? 0.7010 0.6944 0.6072 0.0400 0.0103 -0.0058 327 GLU A OE2 2631 N N . VAL A 328 ? 0.4728 0.4782 0.3910 0.0325 0.0028 -0.0163 328 VAL A N 2632 C CA . VAL A 328 ? 0.4214 0.4315 0.3473 0.0296 0.0007 -0.0184 328 VAL A CA 2633 C C . VAL A 328 ? 0.3942 0.4081 0.3281 0.0255 0.0037 -0.0172 328 VAL A C 2634 O O . VAL A 328 ? 0.3856 0.3983 0.3187 0.0248 0.0078 -0.0150 328 VAL A O 2635 C CB . VAL A 328 ? 0.4236 0.4331 0.3474 0.0298 0.0010 -0.0196 328 VAL A CB 2636 C CG1 . VAL A 328 ? 0.4329 0.4385 0.3482 0.0339 -0.0019 -0.0211 328 VAL A CG1 2637 C CG2 . VAL A 328 ? 0.4211 0.4293 0.3437 0.0286 0.0064 -0.0174 328 VAL A CG2 2638 N N . VAL A 329 ? 0.3697 0.3880 0.3112 0.0228 0.0017 -0.0188 329 VAL A N 2639 C CA . VAL A 329 ? 0.3501 0.3722 0.2987 0.0189 0.0042 -0.0180 329 VAL A CA 2640 C C . VAL A 329 ? 0.3523 0.3743 0.3004 0.0180 0.0065 -0.0177 329 VAL A C 2641 O O . VAL A 329 ? 0.3455 0.3683 0.2944 0.0180 0.0044 -0.0194 329 VAL A O 2642 C CB . VAL A 329 ? 0.3387 0.3653 0.2951 0.0166 0.0013 -0.0196 329 VAL A CB 2643 C CG1 . VAL A 329 ? 0.3283 0.3585 0.2910 0.0127 0.0039 -0.0188 329 VAL A CG1 2644 C CG2 . VAL A 329 ? 0.3381 0.3647 0.2956 0.0175 -0.0008 -0.0200 329 VAL A CG2 2645 N N . CYS A 330 ? 0.3492 0.3701 0.2963 0.0171 0.0108 -0.0158 330 CYS A N 2646 C CA . CYS A 330 ? 0.3447 0.3654 0.2917 0.0164 0.0131 -0.0154 330 CYS A CA 2647 C C . CYS A 330 ? 0.3259 0.3512 0.2807 0.0127 0.0134 -0.0157 330 CYS A C 2648 O O . CYS A 330 ? 0.3235 0.3493 0.2792 0.0122 0.0139 -0.0160 330 CYS A O 2649 C CB . CYS A 330 ? 0.3615 0.3786 0.3041 0.0174 0.0177 -0.0133 330 CYS A CB 2650 S SG . CYS A 330 ? 0.4034 0.4144 0.3354 0.0219 0.0182 -0.0132 330 CYS A SG 2651 N N . HIS A 331 ? 0.2912 0.3198 0.2514 0.0104 0.0130 -0.0155 331 HIS A N 2652 C CA . HIS A 331 ? 0.2662 0.2991 0.2332 0.0070 0.0131 -0.0156 331 HIS A CA 2653 C C . HIS A 331 ? 0.2573 0.2918 0.2263 0.0070 0.0101 -0.0172 331 HIS A C 2654 O O . HIS A 331 ? 0.2623 0.2968 0.2312 0.0082 0.0069 -0.0187 331 HIS A O 2655 C CB . HIS A 331 ? 0.2551 0.2911 0.2267 0.0049 0.0128 -0.0155 331 HIS A CB 2656 C CG . HIS A 331 ? 0.2507 0.2905 0.2280 0.0016 0.0137 -0.0152 331 HIS A CG 2657 N ND1 . HIS A 331 ? 0.2500 0.2906 0.2290 0.0000 0.0167 -0.0140 331 HIS A ND1 2658 C CD2 . HIS A 331 ? 0.2430 0.2861 0.2248 0.0000 0.0121 -0.0158 331 HIS A CD2 2659 C CE1 . HIS A 331 ? 0.2413 0.2856 0.2251 -0.0026 0.0165 -0.0140 331 HIS A CE1 2660 N NE2 . HIS A 331 ? 0.2469 0.2926 0.2323 -0.0027 0.0139 -0.0149 331 HIS A NE2 2661 N N . ALA A 332 ? 0.2417 0.2775 0.2131 0.0056 0.0112 -0.0170 332 ALA A N 2662 C CA . ALA A 332 ? 0.2409 0.2777 0.2142 0.0058 0.0090 -0.0184 332 ALA A CA 2663 C C . ALA A 332 ? 0.2349 0.2752 0.2139 0.0042 0.0061 -0.0194 332 ALA A C 2664 O O . ALA A 332 ? 0.2214 0.2645 0.2044 0.0020 0.0067 -0.0187 332 ALA A O 2665 C CB . ALA A 332 ? 0.2356 0.2732 0.2111 0.0044 0.0111 -0.0176 332 ALA A CB 2666 N N . SER A 333 ? 0.2341 0.2743 0.2137 0.0055 0.0032 -0.0212 333 SER A N 2667 C CA . SER A 333 ? 0.2338 0.2772 0.2195 0.0042 0.0006 -0.0223 333 SER A CA 2668 C C . SER A 333 ? 0.2324 0.2758 0.2199 0.0051 -0.0017 -0.0241 333 SER A C 2669 O O . SER A 333 ? 0.2384 0.2789 0.2213 0.0073 -0.0021 -0.0251 333 SER A O 2670 C CB . SER A 333 ? 0.2368 0.2803 0.2227 0.0048 -0.0010 -0.0229 333 SER A CB 2671 O OG . SER A 333 ? 0.2579 0.2977 0.2375 0.0079 -0.0021 -0.0237 333 SER A OG 2672 N N . ALA A 334 ? 0.2220 0.2687 0.2164 0.0033 -0.0030 -0.0245 334 ALA A N 2673 C CA . ALA A 334 ? 0.2181 0.2654 0.2161 0.0037 -0.0051 -0.0263 334 ALA A CA 2674 C C . ALA A 334 ? 0.2173 0.2660 0.2199 0.0039 -0.0081 -0.0279 334 ALA A C 2675 O O . ALA A 334 ? 0.2088 0.2598 0.2153 0.0021 -0.0077 -0.0270 334 ALA A O 2676 C CB . ALA A 334 ? 0.2126 0.2626 0.2158 0.0013 -0.0035 -0.0249 334 ALA A CB 2677 N N . TRP A 335 ? 0.2160 0.2633 0.2184 0.0060 -0.0111 -0.0305 335 TRP A N 2678 C CA . TRP A 335 ? 0.2253 0.2732 0.2310 0.0069 -0.0143 -0.0325 335 TRP A CA 2679 C C . TRP A 335 ? 0.2289 0.2785 0.2418 0.0066 -0.0166 -0.0345 335 TRP A C 2680 O O . TRP A 335 ? 0.2221 0.2706 0.2342 0.0076 -0.0174 -0.0359 335 TRP A O 2681 C CB . TRP A 335 ? 0.2302 0.2746 0.2289 0.0102 -0.0166 -0.0341 335 TRP A CB 2682 C CG . TRP A 335 ? 0.2360 0.2785 0.2281 0.0107 -0.0144 -0.0322 335 TRP A CG 2683 C CD1 . TRP A 335 ? 0.2378 0.2790 0.2252 0.0102 -0.0109 -0.0300 335 TRP A CD1 2684 C CD2 . TRP A 335 ? 0.2405 0.2821 0.2307 0.0118 -0.0155 -0.0322 335 TRP A CD2 2685 N NE1 . TRP A 335 ? 0.2429 0.2825 0.2257 0.0109 -0.0097 -0.0287 335 TRP A NE1 2686 C CE2 . TRP A 335 ? 0.2394 0.2791 0.2235 0.0120 -0.0125 -0.0300 335 TRP A CE2 2687 C CE3 . TRP A 335 ? 0.2433 0.2855 0.2368 0.0128 -0.0189 -0.0340 335 TRP A CE3 2688 C CZ2 . TRP A 335 ? 0.2407 0.2790 0.2218 0.0130 -0.0125 -0.0293 335 TRP A CZ2 2689 C CZ3 . TRP A 335 ? 0.2454 0.2862 0.2358 0.0138 -0.0190 -0.0333 335 TRP A CZ3 2690 C CH2 . TRP A 335 ? 0.2514 0.2904 0.2356 0.0140 -0.0158 -0.0309 335 TRP A CH2 2691 N N . ASP A 336 ? 0.2251 0.2772 0.2452 0.0052 -0.0174 -0.0347 336 ASP A N 2692 C CA . ASP A 336 ? 0.2417 0.2955 0.2699 0.0051 -0.0197 -0.0368 336 ASP A CA 2693 C C . ASP A 336 ? 0.2508 0.3040 0.2804 0.0068 -0.0231 -0.0392 336 ASP A C 2694 O O . ASP A 336 ? 0.2484 0.3022 0.2786 0.0061 -0.0225 -0.0382 336 ASP A O 2695 C CB . ASP A 336 ? 0.2420 0.2991 0.2777 0.0021 -0.0175 -0.0348 336 ASP A CB 2696 C CG . ASP A 336 ? 0.2473 0.3061 0.2920 0.0016 -0.0191 -0.0365 336 ASP A CG 2697 O OD1 . ASP A 336 ? 0.2650 0.3228 0.3117 0.0036 -0.0224 -0.0396 336 ASP A OD1 2698 O OD2 . ASP A 336 ? 0.2485 0.3095 0.2986 -0.0005 -0.0169 -0.0346 336 ASP A OD2 2699 N N . PHE A 337 ? 0.2641 0.3161 0.2944 0.0090 -0.0266 -0.0424 337 PHE A N 2700 C CA . PHE A 337 ? 0.2789 0.3302 0.3104 0.0109 -0.0305 -0.0450 337 PHE A CA 2701 C C . PHE A 337 ? 0.2906 0.3447 0.3337 0.0098 -0.0320 -0.0465 337 PHE A C 2702 O O . PHE A 337 ? 0.2979 0.3518 0.3440 0.0111 -0.0352 -0.0488 337 PHE A O 2703 C CB . PHE A 337 ? 0.2839 0.3321 0.3092 0.0143 -0.0339 -0.0479 337 PHE A CB 2704 C CG . PHE A 337 ? 0.2842 0.3293 0.2980 0.0161 -0.0328 -0.0466 337 PHE A CG 2705 C CD1 . PHE A 337 ? 0.2847 0.3286 0.2929 0.0154 -0.0292 -0.0443 337 PHE A CD1 2706 C CD2 . PHE A 337 ? 0.2942 0.3372 0.3031 0.0184 -0.0351 -0.0473 337 PHE A CD2 2707 C CE1 . PHE A 337 ? 0.2922 0.3331 0.2904 0.0170 -0.0278 -0.0429 337 PHE A CE1 2708 C CE2 . PHE A 337 ? 0.3068 0.3467 0.3053 0.0201 -0.0338 -0.0458 337 PHE A CE2 2709 C CZ . PHE A 337 ? 0.2975 0.3362 0.2907 0.0194 -0.0299 -0.0436 337 PHE A CZ 2710 N N . TYR A 338 ? 0.2963 0.3527 0.3458 0.0073 -0.0295 -0.0451 338 TYR A N 2711 C CA . TYR A 338 ? 0.3119 0.3709 0.3728 0.0058 -0.0299 -0.0458 338 TYR A CA 2712 C C . TYR A 338 ? 0.3182 0.3771 0.3852 0.0075 -0.0341 -0.0500 338 TYR A C 2713 O O . TYR A 338 ? 0.3220 0.3825 0.3982 0.0071 -0.0354 -0.0513 338 TYR A O 2714 C CB . TYR A 338 ? 0.3161 0.3763 0.3797 0.0047 -0.0288 -0.0445 338 TYR A CB 2715 C CG . TYR A 338 ? 0.3326 0.3938 0.3932 0.0023 -0.0243 -0.0405 338 TYR A CG 2716 C CD1 . TYR A 338 ? 0.3423 0.4058 0.4089 -0.0001 -0.0215 -0.0385 338 TYR A CD1 2717 C CD2 . TYR A 338 ? 0.3401 0.3998 0.3918 0.0026 -0.0229 -0.0388 338 TYR A CD2 2718 C CE1 . TYR A 338 ? 0.3587 0.4232 0.4224 -0.0022 -0.0177 -0.0351 338 TYR A CE1 2719 C CE2 . TYR A 338 ? 0.3627 0.4234 0.4120 0.0004 -0.0190 -0.0356 338 TYR A CE2 2720 C CZ . TYR A 338 ? 0.3635 0.4267 0.4187 -0.0019 -0.0166 -0.0338 338 TYR A CZ 2721 O OH . TYR A 338 ? 0.3710 0.4352 0.4237 -0.0039 -0.0131 -0.0308 338 TYR A OH 2722 N N . ASN A 339 ? 0.3129 0.3698 0.3749 0.0095 -0.0362 -0.0520 339 ASN A N 2723 C CA . ASN A 339 ? 0.3105 0.3672 0.3779 0.0112 -0.0402 -0.0563 339 ASN A CA 2724 C C . ASN A 339 ? 0.3110 0.3681 0.3809 0.0105 -0.0390 -0.0565 339 ASN A C 2725 O O . ASN A 339 ? 0.2888 0.3454 0.3619 0.0119 -0.0421 -0.0602 339 ASN A O 2726 C CB . ASN A 339 ? 0.3132 0.3670 0.3729 0.0147 -0.0445 -0.0594 339 ASN A CB 2727 C CG . ASN A 339 ? 0.3188 0.3697 0.3662 0.0161 -0.0433 -0.0584 339 ASN A CG 2728 O OD1 . ASN A 339 ? 0.2986 0.3497 0.3439 0.0145 -0.0395 -0.0558 339 ASN A OD1 2729 N ND2 . ASN A 339 ? 0.3258 0.3739 0.3651 0.0192 -0.0464 -0.0604 339 ASN A ND2 2730 N N . ARG A 340 ? 0.3096 0.3676 0.3785 0.0082 -0.0346 -0.0528 340 ARG A N 2731 C CA . ARG A 340 ? 0.3348 0.3932 0.4058 0.0072 -0.0329 -0.0523 340 ARG A CA 2732 C C . ARG A 340 ? 0.3258 0.3815 0.3897 0.0095 -0.0344 -0.0546 340 ARG A C 2733 O O . ARG A 340 ? 0.3182 0.3742 0.3855 0.0091 -0.0339 -0.0553 340 ARG A O 2734 C CB . ARG A 340 ? 0.3564 0.4171 0.4404 0.0061 -0.0334 -0.0536 340 ARG A CB 2735 C CG . ARG A 340 ? 0.3944 0.4576 0.4868 0.0041 -0.0319 -0.0519 340 ARG A CG 2736 C CD . ARG A 340 ? 0.4240 0.4887 0.5290 0.0038 -0.0334 -0.0543 340 ARG A CD 2737 N NE . ARG A 340 ? 0.4734 0.5396 0.5865 0.0032 -0.0339 -0.0547 340 ARG A NE 2738 C CZ . ARG A 340 ? 0.4872 0.5556 0.6091 0.0010 -0.0309 -0.0524 340 ARG A CZ 2739 N NH1 . ARG A 340 ? 0.4762 0.5455 0.5997 -0.0007 -0.0274 -0.0494 340 ARG A NH1 2740 N NH2 . ARG A 340 ? 0.4892 0.5587 0.6183 0.0006 -0.0313 -0.0530 340 ARG A NH2 2741 N N . LYS A 341 ? 0.3271 0.3802 0.3813 0.0118 -0.0362 -0.0557 341 LYS A N 2742 C CA . LYS A 341 ? 0.3484 0.3985 0.3948 0.0144 -0.0378 -0.0580 341 LYS A CA 2743 C C . LYS A 341 ? 0.3337 0.3812 0.3678 0.0154 -0.0358 -0.0557 341 LYS A C 2744 O O . LYS A 341 ? 0.3264 0.3719 0.3544 0.0160 -0.0342 -0.0554 341 LYS A O 2745 C CB . LYS A 341 ? 0.3876 0.4365 0.4348 0.0172 -0.0432 -0.0629 341 LYS A CB 2746 C CG . LYS A 341 ? 0.4408 0.4917 0.4998 0.0167 -0.0453 -0.0661 341 LYS A CG 2747 C CD . LYS A 341 ? 0.4872 0.5374 0.5482 0.0193 -0.0510 -0.0710 341 LYS A CD 2748 C CE . LYS A 341 ? 0.5097 0.5629 0.5856 0.0179 -0.0525 -0.0729 341 LYS A CE 2749 N NZ . LYS A 341 ? 0.5367 0.5894 0.6158 0.0205 -0.0583 -0.0781 341 LYS A NZ 2750 N N . ASP A 342 ? 0.3219 0.3692 0.3526 0.0155 -0.0357 -0.0542 342 ASP A N 2751 C CA . ASP A 342 ? 0.3072 0.3518 0.3267 0.0166 -0.0339 -0.0521 342 ASP A CA 2752 C C . ASP A 342 ? 0.2855 0.3316 0.3048 0.0139 -0.0293 -0.0477 342 ASP A C 2753 O O . ASP A 342 ? 0.2716 0.3201 0.2962 0.0120 -0.0286 -0.0461 342 ASP A O 2754 C CB . ASP A 342 ? 0.3179 0.3606 0.3323 0.0191 -0.0370 -0.0535 342 ASP A CB 2755 C CG . ASP A 342 ? 0.3413 0.3817 0.3524 0.0224 -0.0415 -0.0577 342 ASP A CG 2756 O OD1 . ASP A 342 ? 0.3343 0.3717 0.3368 0.0244 -0.0411 -0.0583 342 ASP A OD1 2757 O OD2 . ASP A 342 ? 0.3486 0.3902 0.3660 0.0232 -0.0455 -0.0607 342 ASP A OD2 2758 N N . PHE A 343 ? 0.2645 0.3090 0.2777 0.0138 -0.0263 -0.0459 343 PHE A N 2759 C CA . PHE A 343 ? 0.2471 0.2926 0.2590 0.0115 -0.0221 -0.0420 343 PHE A CA 2760 C C . PHE A 343 ? 0.2469 0.2889 0.2484 0.0132 -0.0204 -0.0411 343 PHE A C 2761 O O . PHE A 343 ? 0.2492 0.2888 0.2465 0.0152 -0.0211 -0.0429 343 PHE A O 2762 C CB . PHE A 343 ? 0.2419 0.2897 0.2602 0.0091 -0.0199 -0.0407 343 PHE A CB 2763 C CG . PHE A 343 ? 0.2368 0.2876 0.2657 0.0078 -0.0216 -0.0419 343 PHE A CG 2764 C CD1 . PHE A 343 ? 0.2266 0.2802 0.2615 0.0055 -0.0205 -0.0400 343 PHE A CD1 2765 C CD2 . PHE A 343 ? 0.2383 0.2888 0.2712 0.0089 -0.0241 -0.0451 343 PHE A CD2 2766 C CE1 . PHE A 343 ? 0.2214 0.2774 0.2661 0.0044 -0.0216 -0.0409 343 PHE A CE1 2767 C CE2 . PHE A 343 ? 0.2353 0.2884 0.2786 0.0077 -0.0254 -0.0462 343 PHE A CE2 2768 C CZ . PHE A 343 ? 0.2278 0.2836 0.2771 0.0055 -0.0240 -0.0439 343 PHE A CZ 2769 N N . ARG A 344 ? 0.2391 0.2807 0.2363 0.0127 -0.0181 -0.0385 344 ARG A N 2770 C CA . ARG A 344 ? 0.2374 0.2754 0.2249 0.0145 -0.0162 -0.0375 344 ARG A CA 2771 C C . ARG A 344 ? 0.2281 0.2667 0.2143 0.0125 -0.0122 -0.0340 344 ARG A C 2772 O O . ARG A 344 ? 0.2140 0.2553 0.2047 0.0104 -0.0115 -0.0325 344 ARG A O 2773 C CB . ARG A 344 ? 0.2462 0.2814 0.2273 0.0174 -0.0187 -0.0388 344 ARG A CB 2774 C CG . ARG A 344 ? 0.2680 0.3024 0.2495 0.0198 -0.0233 -0.0426 344 ARG A CG 2775 C CD . ARG A 344 ? 0.2884 0.3202 0.2636 0.0227 -0.0260 -0.0436 344 ARG A CD 2776 N NE . ARG A 344 ? 0.2945 0.3257 0.2709 0.0250 -0.0309 -0.0475 344 ARG A NE 2777 C CZ . ARG A 344 ? 0.3135 0.3427 0.2853 0.0280 -0.0345 -0.0494 344 ARG A CZ 2778 N NH1 . ARG A 344 ? 0.3154 0.3426 0.2808 0.0292 -0.0338 -0.0474 344 ARG A NH1 2779 N NH2 . ARG A 344 ? 0.3147 0.3437 0.2884 0.0298 -0.0391 -0.0532 344 ARG A NH2 2780 N N . ILE A 345 ? 0.2308 0.2668 0.2108 0.0134 -0.0094 -0.0328 345 ILE A N 2781 C CA . ILE A 345 ? 0.2291 0.2648 0.2065 0.0122 -0.0058 -0.0299 345 ILE A CA 2782 C C . ILE A 345 ? 0.2410 0.2727 0.2095 0.0149 -0.0055 -0.0297 345 ILE A C 2783 O O . ILE A 345 ? 0.2466 0.2751 0.2091 0.0178 -0.0068 -0.0313 345 ILE A O 2784 C CB . ILE A 345 ? 0.2225 0.2585 0.2007 0.0107 -0.0023 -0.0283 345 ILE A CB 2785 C CG1 . ILE A 345 ? 0.2107 0.2510 0.1979 0.0076 -0.0022 -0.0275 345 ILE A CG1 2786 C CG2 . ILE A 345 ? 0.2214 0.2559 0.1954 0.0104 0.0013 -0.0257 345 ILE A CG2 2787 C CD1 . ILE A 345 ? 0.2019 0.2426 0.1913 0.0065 0.0000 -0.0266 345 ILE A CD1 2788 N N . LYS A 346 ? 0.2443 0.2764 0.2121 0.0141 -0.0039 -0.0277 346 LYS A N 2789 C CA . LYS A 346 ? 0.2582 0.2867 0.2182 0.0163 -0.0026 -0.0267 346 LYS A CA 2790 C C . LYS A 346 ? 0.2651 0.2935 0.2248 0.0146 0.0019 -0.0239 346 LYS A C 2791 O O . LYS A 346 ? 0.2610 0.2921 0.2252 0.0122 0.0030 -0.0226 346 LYS A O 2792 C CB . LYS A 346 ? 0.2652 0.2942 0.2258 0.0168 -0.0049 -0.0270 346 LYS A CB 2793 C CG . LYS A 346 ? 0.2766 0.3019 0.2296 0.0193 -0.0038 -0.0258 346 LYS A CG 2794 C CD . LYS A 346 ? 0.2794 0.3060 0.2348 0.0190 -0.0055 -0.0257 346 LYS A CD 2795 C CE . LYS A 346 ? 0.2814 0.3118 0.2439 0.0154 -0.0035 -0.0242 346 LYS A CE 2796 N NZ . LYS A 346 ? 0.2840 0.3140 0.2454 0.0139 0.0009 -0.0219 346 LYS A NZ 2797 N N . GLN A 347 ? 0.2685 0.2939 0.2232 0.0159 0.0046 -0.0232 347 GLN A N 2798 C CA . GLN A 347 ? 0.2715 0.2967 0.2266 0.0144 0.0090 -0.0208 347 GLN A CA 2799 C C . GLN A 347 ? 0.2805 0.3006 0.2271 0.0171 0.0118 -0.0199 347 GLN A C 2800 O O . GLN A 347 ? 0.2945 0.3118 0.2363 0.0194 0.0114 -0.0211 347 GLN A O 2801 C CB . GLN A 347 ? 0.2655 0.2933 0.2263 0.0120 0.0103 -0.0206 347 GLN A CB 2802 C CG . GLN A 347 ? 0.2703 0.2982 0.2324 0.0104 0.0146 -0.0184 347 GLN A CG 2803 C CD . GLN A 347 ? 0.2706 0.3015 0.2391 0.0080 0.0152 -0.0182 347 GLN A CD 2804 O OE1 . GLN A 347 ? 0.2781 0.3116 0.2511 0.0070 0.0126 -0.0193 347 GLN A OE1 2805 N NE2 . GLN A 347 ? 0.2639 0.2942 0.2333 0.0071 0.0187 -0.0167 347 GLN A NE2 2806 N N . CYS A 348 ? 0.2766 0.2955 0.2217 0.0169 0.0148 -0.0178 348 CYS A N 2807 C CA . CYS A 348 ? 0.2964 0.3105 0.2342 0.0194 0.0182 -0.0165 348 CYS A CA 2808 C C . CYS A 348 ? 0.2916 0.3056 0.2317 0.0180 0.0222 -0.0154 348 CYS A C 2809 O O . CYS A 348 ? 0.2884 0.3023 0.2305 0.0167 0.0258 -0.0135 348 CYS A O 2810 C CB . CYS A 348 ? 0.3127 0.3255 0.2485 0.0199 0.0198 -0.0147 348 CYS A CB 2811 S SG . CYS A 348 ? 0.3360 0.3479 0.2680 0.0223 0.0152 -0.0159 348 CYS A SG 2812 N N . THR A 349 ? 0.2819 0.2959 0.2224 0.0182 0.0215 -0.0168 349 THR A N 2813 C CA . THR A 349 ? 0.2850 0.3002 0.2301 0.0164 0.0244 -0.0161 349 THR A CA 2814 C C . THR A 349 ? 0.2899 0.3011 0.2311 0.0175 0.0295 -0.0143 349 THR A C 2815 O O . THR A 349 ? 0.2969 0.3034 0.2301 0.0207 0.0307 -0.0143 349 THR A O 2816 C CB . THR A 349 ? 0.2827 0.2985 0.2290 0.0166 0.0224 -0.0181 349 THR A CB 2817 O OG1 . THR A 349 ? 0.2793 0.2982 0.2288 0.0159 0.0178 -0.0199 349 THR A OG1 2818 C CG2 . THR A 349 ? 0.2794 0.2977 0.2328 0.0140 0.0245 -0.0175 349 THR A CG2 2819 N N . ARG A 350 ? 0.2861 0.2993 0.2333 0.0150 0.0324 -0.0128 350 ARG A N 2820 C CA . ARG A 350 ? 0.2955 0.3055 0.2414 0.0155 0.0376 -0.0111 350 ARG A CA 2821 C C . ARG A 350 ? 0.2875 0.2991 0.2391 0.0139 0.0391 -0.0113 350 ARG A C 2822 O O . ARG A 350 ? 0.2712 0.2873 0.2294 0.0115 0.0365 -0.0121 350 ARG A O 2823 C CB . ARG A 350 ? 0.2907 0.3015 0.2397 0.0141 0.0400 -0.0093 350 ARG A CB 2824 C CG . ARG A 350 ? 0.3018 0.3103 0.2451 0.0160 0.0394 -0.0087 350 ARG A CG 2825 C CD . ARG A 350 ? 0.3034 0.3138 0.2514 0.0140 0.0410 -0.0074 350 ARG A CD 2826 N NE . ARG A 350 ? 0.3030 0.3190 0.2583 0.0109 0.0379 -0.0082 350 ARG A NE 2827 C CZ . ARG A 350 ? 0.3067 0.3262 0.2694 0.0079 0.0387 -0.0081 350 ARG A CZ 2828 N NH1 . ARG A 350 ? 0.3107 0.3290 0.2755 0.0076 0.0424 -0.0072 350 ARG A NH1 2829 N NH2 . ARG A 350 ? 0.3087 0.3330 0.2768 0.0054 0.0357 -0.0088 350 ARG A NH2 2830 N N . VAL A 351 ? 0.2911 0.2989 0.2401 0.0153 0.0433 -0.0106 351 VAL A N 2831 C CA . VAL A 351 ? 0.2924 0.3013 0.2466 0.0140 0.0449 -0.0109 351 VAL A CA 2832 C C . VAL A 351 ? 0.2848 0.2966 0.2475 0.0111 0.0472 -0.0094 351 VAL A C 2833 O O . VAL A 351 ? 0.2846 0.2939 0.2477 0.0114 0.0517 -0.0080 351 VAL A O 2834 C CB . VAL A 351 ? 0.3038 0.3072 0.2515 0.0169 0.0483 -0.0111 351 VAL A CB 2835 C CG1 . VAL A 351 ? 0.3092 0.3140 0.2628 0.0156 0.0495 -0.0116 351 VAL A CG1 2836 C CG2 . VAL A 351 ? 0.3146 0.3153 0.2534 0.0199 0.0455 -0.0128 351 VAL A CG2 2837 N N . THR A 352 ? 0.2694 0.2865 0.2392 0.0083 0.0439 -0.0098 352 THR A N 2838 C CA . THR A 352 ? 0.2589 0.2794 0.2370 0.0054 0.0451 -0.0088 352 THR A CA 2839 C C . THR A 352 ? 0.2576 0.2830 0.2424 0.0030 0.0417 -0.0095 352 THR A C 2840 O O . THR A 352 ? 0.2386 0.2653 0.2219 0.0033 0.0381 -0.0107 352 THR A O 2841 C CB . THR A 352 ? 0.2612 0.2833 0.2407 0.0042 0.0451 -0.0079 352 THR A CB 2842 O OG1 . THR A 352 ? 0.2432 0.2686 0.2231 0.0032 0.0406 -0.0088 352 THR A OG1 2843 C CG2 . THR A 352 ? 0.2615 0.2788 0.2344 0.0065 0.0482 -0.0070 352 THR A CG2 2844 N N . MET A 353 ? 0.2567 0.2849 0.2490 0.0008 0.0427 -0.0087 353 MET A N 2845 C CA . MET A 353 ? 0.2584 0.2913 0.2573 -0.0014 0.0396 -0.0090 353 MET A CA 2846 C C . MET A 353 ? 0.2581 0.2946 0.2573 -0.0027 0.0357 -0.0093 353 MET A C 2847 O O . MET A 353 ? 0.2417 0.2805 0.2423 -0.0032 0.0326 -0.0100 353 MET A O 2848 C CB . MET A 353 ? 0.2642 0.2994 0.2710 -0.0034 0.0413 -0.0081 353 MET A CB 2849 C CG . MET A 353 ? 0.2751 0.3148 0.2885 -0.0055 0.0384 -0.0081 353 MET A CG 2850 S SD . MET A 353 ? 0.3037 0.3457 0.3263 -0.0075 0.0402 -0.0070 353 MET A SD 2851 C CE . MET A 353 ? 0.2966 0.3427 0.3249 -0.0090 0.0367 -0.0070 353 MET A CE 2852 N N . ASP A 354 ? 0.2652 0.3020 0.2635 -0.0032 0.0362 -0.0088 354 ASP A N 2853 C CA . ASP A 354 ? 0.2725 0.3124 0.2711 -0.0044 0.0328 -0.0091 354 ASP A CA 2854 C C . ASP A 354 ? 0.2624 0.3009 0.2555 -0.0026 0.0305 -0.0102 354 ASP A C 2855 O O . ASP A 354 ? 0.2575 0.2987 0.2519 -0.0035 0.0273 -0.0108 354 ASP A O 2856 C CB . ASP A 354 ? 0.3028 0.3431 0.3018 -0.0053 0.0340 -0.0086 354 ASP A CB 2857 C CG . ASP A 354 ? 0.3317 0.3676 0.3244 -0.0030 0.0363 -0.0085 354 ASP A CG 2858 O OD1 . ASP A 354 ? 0.3631 0.3957 0.3546 -0.0018 0.0398 -0.0078 354 ASP A OD1 2859 O OD2 . ASP A 354 ? 0.3603 0.3959 0.3492 -0.0023 0.0346 -0.0089 354 ASP A OD2 2860 N N . GLN A 355 ? 0.2515 0.2855 0.2383 0.0000 0.0321 -0.0106 355 GLN A N 2861 C CA . GLN A 355 ? 0.2424 0.2747 0.2239 0.0020 0.0296 -0.0119 355 GLN A CA 2862 C C . GLN A 355 ? 0.2413 0.2747 0.2248 0.0020 0.0274 -0.0130 355 GLN A C 2863 O O . GLN A 355 ? 0.2264 0.2608 0.2091 0.0024 0.0242 -0.0143 355 GLN A O 2864 C CB . GLN A 355 ? 0.2502 0.2772 0.2238 0.0050 0.0318 -0.0119 355 GLN A CB 2865 C CG . GLN A 355 ? 0.2463 0.2721 0.2167 0.0056 0.0324 -0.0112 355 GLN A CG 2866 C CD . GLN A 355 ? 0.2464 0.2730 0.2143 0.0063 0.0286 -0.0123 355 GLN A CD 2867 O OE1 . GLN A 355 ? 0.2479 0.2718 0.2101 0.0088 0.0272 -0.0133 355 GLN A OE1 2868 N NE2 . GLN A 355 ? 0.2353 0.2656 0.2074 0.0041 0.0269 -0.0121 355 GLN A NE2 2869 N N . LEU A 356 ? 0.2319 0.2654 0.2188 0.0014 0.0292 -0.0127 356 LEU A N 2870 C CA . LEU A 356 ? 0.2354 0.2704 0.2256 0.0011 0.0273 -0.0136 356 LEU A CA 2871 C C . LEU A 356 ? 0.2266 0.2666 0.2227 -0.0012 0.0241 -0.0134 356 LEU A C 2872 O O . LEU A 356 ? 0.2262 0.2673 0.2233 -0.0011 0.0214 -0.0145 356 LEU A O 2873 C CB . LEU A 356 ? 0.2370 0.2714 0.2306 0.0008 0.0300 -0.0131 356 LEU A CB 2874 C CG . LEU A 356 ? 0.2443 0.2802 0.2420 0.0004 0.0285 -0.0140 356 LEU A CG 2875 C CD1 . LEU A 356 ? 0.2467 0.2801 0.2395 0.0027 0.0267 -0.0161 356 LEU A CD1 2876 C CD2 . LEU A 356 ? 0.2477 0.2826 0.2490 0.0001 0.0317 -0.0133 356 LEU A CD2 2877 N N . SER A 357 ? 0.2213 0.2640 0.2212 -0.0033 0.0247 -0.0120 357 SER A N 2878 C CA . SER A 357 ? 0.2168 0.2639 0.2212 -0.0055 0.0220 -0.0116 357 SER A CA 2879 C C . SER A 357 ? 0.2094 0.2566 0.2107 -0.0049 0.0197 -0.0125 357 SER A C 2880 O O . SER A 357 ? 0.2051 0.2548 0.2090 -0.0057 0.0171 -0.0128 357 SER A O 2881 C CB . SER A 357 ? 0.2195 0.2692 0.2277 -0.0076 0.0230 -0.0102 357 SER A CB 2882 O OG . SER A 357 ? 0.2402 0.2908 0.2531 -0.0086 0.0243 -0.0094 357 SER A OG 2883 N N . THR A 358 ? 0.2052 0.2497 0.2011 -0.0034 0.0206 -0.0128 358 THR A N 2884 C CA . THR A 358 ? 0.2056 0.2498 0.1984 -0.0026 0.0185 -0.0137 358 THR A CA 2885 C C . THR A 358 ? 0.2008 0.2441 0.1923 -0.0010 0.0160 -0.0154 358 THR A C 2886 O O . THR A 358 ? 0.1975 0.2425 0.1905 -0.0013 0.0134 -0.0162 358 THR A O 2887 C CB . THR A 358 ? 0.2148 0.2559 0.2020 -0.0011 0.0202 -0.0135 358 THR A CB 2888 O OG1 . THR A 358 ? 0.2151 0.2575 0.2046 -0.0028 0.0222 -0.0122 358 THR A OG1 2889 C CG2 . THR A 358 ? 0.2171 0.2579 0.2017 -0.0001 0.0177 -0.0145 358 THR A CG2 2890 N N . VAL A 359 ? 0.1950 0.2355 0.1841 0.0006 0.0170 -0.0161 359 VAL A N 2891 C CA . VAL A 359 ? 0.1941 0.2336 0.1823 0.0021 0.0146 -0.0181 359 VAL A CA 2892 C C . VAL A 359 ? 0.1870 0.2305 0.1824 0.0002 0.0124 -0.0182 359 VAL A C 2893 O O . VAL A 359 ? 0.1810 0.2254 0.1776 0.0005 0.0096 -0.0196 359 VAL A O 2894 C CB . VAL A 359 ? 0.1992 0.2350 0.1835 0.0042 0.0164 -0.0189 359 VAL A CB 2895 C CG1 . VAL A 359 ? 0.1966 0.2321 0.1818 0.0053 0.0140 -0.0210 359 VAL A CG1 2896 C CG2 . VAL A 359 ? 0.2070 0.2385 0.1831 0.0067 0.0179 -0.0189 359 VAL A CG2 2897 N N . HIS A 360 ? 0.1829 0.2286 0.1833 -0.0017 0.0138 -0.0167 360 HIS A N 2898 C CA . HIS A 360 ? 0.1836 0.2330 0.1908 -0.0036 0.0121 -0.0163 360 HIS A CA 2899 C C . HIS A 360 ? 0.1808 0.2330 0.1898 -0.0049 0.0103 -0.0159 360 HIS A C 2900 O O . HIS A 360 ? 0.1839 0.2378 0.1965 -0.0052 0.0082 -0.0166 360 HIS A O 2901 C CB . HIS A 360 ? 0.1775 0.2288 0.1892 -0.0054 0.0139 -0.0144 360 HIS A CB 2902 C CG . HIS A 360 ? 0.1860 0.2355 0.1984 -0.0044 0.0153 -0.0149 360 HIS A CG 2903 N ND1 . HIS A 360 ? 0.1911 0.2371 0.1990 -0.0029 0.0179 -0.0152 360 HIS A ND1 2904 C CD2 . HIS A 360 ? 0.1847 0.2351 0.2016 -0.0046 0.0147 -0.0153 360 HIS A CD2 2905 C CE1 . HIS A 360 ? 0.1935 0.2383 0.2031 -0.0023 0.0189 -0.0157 360 HIS A CE1 2906 N NE2 . HIS A 360 ? 0.1967 0.2442 0.2119 -0.0034 0.0169 -0.0158 360 HIS A NE2 2907 N N . HIS A 361 ? 0.1795 0.2319 0.1863 -0.0055 0.0113 -0.0150 361 HIS A N 2908 C CA . HIS A 361 ? 0.1796 0.2342 0.1876 -0.0066 0.0100 -0.0147 361 HIS A CA 2909 C C . HIS A 361 ? 0.1840 0.2377 0.1907 -0.0052 0.0076 -0.0165 361 HIS A C 2910 O O . HIS A 361 ? 0.1822 0.2382 0.1929 -0.0061 0.0060 -0.0167 361 HIS A O 2911 C CB . HIS A 361 ? 0.1786 0.2329 0.1837 -0.0072 0.0116 -0.0138 361 HIS A CB 2912 C CG . HIS A 361 ? 0.1743 0.2306 0.1803 -0.0082 0.0105 -0.0138 361 HIS A CG 2913 N ND1 . HIS A 361 ? 0.1721 0.2318 0.1821 -0.0105 0.0102 -0.0126 361 HIS A ND1 2914 C CD2 . HIS A 361 ? 0.1769 0.2323 0.1805 -0.0073 0.0095 -0.0147 361 HIS A CD2 2915 C CE1 . HIS A 361 ? 0.1704 0.2311 0.1803 -0.0109 0.0095 -0.0129 361 HIS A CE1 2916 N NE2 . HIS A 361 ? 0.1747 0.2328 0.1811 -0.0091 0.0090 -0.0142 361 HIS A NE2 2917 N N . GLU A 362 ? 0.1868 0.2371 0.1881 -0.0028 0.0075 -0.0179 362 GLU A N 2918 C CA . GLU A 362 ? 0.1993 0.2485 0.1992 -0.0012 0.0049 -0.0198 362 GLU A CA 2919 C C . GLU A 362 ? 0.1922 0.2420 0.1959 -0.0008 0.0029 -0.0214 362 GLU A C 2920 O O . GLU A 362 ? 0.2010 0.2519 0.2076 -0.0007 0.0005 -0.0226 362 GLU A O 2921 C CB . GLU A 362 ? 0.2069 0.2520 0.1994 0.0014 0.0052 -0.0208 362 GLU A CB 2922 C CG . GLU A 362 ? 0.2145 0.2583 0.2032 0.0013 0.0077 -0.0192 362 GLU A CG 2923 C CD . GLU A 362 ? 0.2162 0.2624 0.2071 -0.0003 0.0075 -0.0185 362 GLU A CD 2924 O OE1 . GLU A 362 ? 0.2136 0.2611 0.2065 -0.0003 0.0051 -0.0195 362 GLU A OE1 2925 O OE2 . GLU A 362 ? 0.2133 0.2601 0.2042 -0.0015 0.0097 -0.0169 362 GLU A OE2 2926 N N . MET A 363 ? 0.1890 0.2380 0.1931 -0.0005 0.0039 -0.0214 363 MET A N 2927 C CA . MET A 363 ? 0.1911 0.2407 0.1993 -0.0002 0.0023 -0.0228 363 MET A CA 2928 C C . MET A 363 ? 0.1840 0.2375 0.2000 -0.0026 0.0017 -0.0217 363 MET A C 2929 O O . MET A 363 ? 0.1783 0.2328 0.1988 -0.0024 -0.0002 -0.0230 363 MET A O 2930 C CB . MET A 363 ? 0.1962 0.2437 0.2029 0.0006 0.0038 -0.0232 363 MET A CB 2931 C CG . MET A 363 ? 0.2040 0.2511 0.2136 0.0016 0.0019 -0.0255 363 MET A CG 2932 S SD . MET A 363 ? 0.2241 0.2680 0.2305 0.0033 0.0037 -0.0266 363 MET A SD 2933 C CE . MET A 363 ? 0.2210 0.2602 0.2166 0.0064 0.0038 -0.0280 363 MET A CE 2934 N N . GLY A 364 ? 0.1845 0.2402 0.2021 -0.0046 0.0032 -0.0192 364 GLY A N 2935 C CA . GLY A 364 ? 0.1808 0.2400 0.2045 -0.0067 0.0028 -0.0178 364 GLY A CA 2936 C C . GLY A 364 ? 0.1780 0.2381 0.2035 -0.0067 0.0009 -0.0189 364 GLY A C 2937 O O . GLY A 364 ? 0.1742 0.2362 0.2054 -0.0074 -0.0001 -0.0189 364 GLY A O 2938 N N . HIS A 365 ? 0.1844 0.2431 0.2054 -0.0058 0.0006 -0.0196 365 HIS A N 2939 C CA . HIS A 365 ? 0.1804 0.2396 0.2028 -0.0054 -0.0012 -0.0208 365 HIS A CA 2940 C C . HIS A 365 ? 0.1798 0.2380 0.2046 -0.0038 -0.0037 -0.0235 365 HIS A C 2941 O O . HIS A 365 ? 0.1725 0.2324 0.2031 -0.0044 -0.0050 -0.0240 365 HIS A O 2942 C CB . HIS A 365 ? 0.1900 0.2472 0.2065 -0.0044 -0.0010 -0.0212 365 HIS A CB 2943 C CG . HIS A 365 ? 0.1948 0.2533 0.2100 -0.0061 0.0009 -0.0192 365 HIS A CG 2944 N ND1 . HIS A 365 ? 0.1966 0.2581 0.2160 -0.0082 0.0014 -0.0179 365 HIS A ND1 2945 C CD2 . HIS A 365 ? 0.2033 0.2605 0.2137 -0.0059 0.0027 -0.0184 365 HIS A CD2 2946 C CE1 . HIS A 365 ? 0.2028 0.2647 0.2197 -0.0092 0.0031 -0.0166 365 HIS A CE1 2947 N NE2 . HIS A 365 ? 0.1961 0.2555 0.2080 -0.0079 0.0039 -0.0169 365 HIS A NE2 2948 N N . ILE A 366 ? 0.1764 0.2318 0.1969 -0.0017 -0.0042 -0.0251 366 ILE A N 2949 C CA . ILE A 366 ? 0.1768 0.2311 0.1992 0.0000 -0.0068 -0.0279 366 ILE A CA 2950 C C . ILE A 366 ? 0.1749 0.2314 0.2051 -0.0013 -0.0070 -0.0278 366 ILE A C 2951 O O . ILE A 366 ? 0.1696 0.2269 0.2051 -0.0010 -0.0091 -0.0297 366 ILE A O 2952 C CB . ILE A 366 ? 0.1819 0.2326 0.1977 0.0023 -0.0068 -0.0295 366 ILE A CB 2953 C CG1 . ILE A 366 ? 0.1822 0.2303 0.1899 0.0039 -0.0065 -0.0295 366 ILE A CG1 2954 C CG2 . ILE A 366 ? 0.1841 0.2338 0.2019 0.0040 -0.0097 -0.0328 366 ILE A CG2 2955 C CD1 . ILE A 366 ? 0.1884 0.2360 0.1953 0.0052 -0.0094 -0.0312 366 ILE A CD1 2956 N N . GLN A 367 ? 0.1730 0.2305 0.2045 -0.0027 -0.0048 -0.0257 367 GLN A N 2957 C CA . GLN A 367 ? 0.1762 0.2356 0.2151 -0.0038 -0.0048 -0.0253 367 GLN A CA 2958 C C . GLN A 367 ? 0.1777 0.2399 0.2231 -0.0054 -0.0052 -0.0243 367 GLN A C 2959 O O . GLN A 367 ? 0.1763 0.2395 0.2283 -0.0055 -0.0063 -0.0253 367 GLN A O 2960 C CB . GLN A 367 ? 0.1790 0.2391 0.2181 -0.0050 -0.0023 -0.0229 367 GLN A CB 2961 C CG . GLN A 367 ? 0.1833 0.2449 0.2298 -0.0059 -0.0022 -0.0224 367 GLN A CG 2962 C CD . GLN A 367 ? 0.1964 0.2562 0.2441 -0.0041 -0.0037 -0.0255 367 GLN A CD 2963 O OE1 . GLN A 367 ? 0.2096 0.2705 0.2641 -0.0043 -0.0048 -0.0264 367 GLN A OE1 2964 N NE2 . GLN A 367 ? 0.1970 0.2537 0.2381 -0.0023 -0.0035 -0.0271 367 GLN A NE2 2965 N N . TYR A 368 ? 0.1764 0.2397 0.2200 -0.0066 -0.0041 -0.0224 368 TYR A N 2966 C CA . TYR A 368 ? 0.1831 0.2488 0.2319 -0.0079 -0.0042 -0.0214 368 TYR A CA 2967 C C . TYR A 368 ? 0.1847 0.2498 0.2366 -0.0066 -0.0067 -0.0244 368 TYR A C 2968 O O . TYR A 368 ? 0.1861 0.2527 0.2454 -0.0072 -0.0072 -0.0246 368 TYR A O 2969 C CB . TYR A 368 ? 0.1813 0.2477 0.2261 -0.0090 -0.0028 -0.0196 368 TYR A CB 2970 C CG . TYR A 368 ? 0.1880 0.2572 0.2366 -0.0112 -0.0013 -0.0169 368 TYR A CG 2971 C CD1 . TYR A 368 ? 0.1882 0.2590 0.2439 -0.0119 -0.0015 -0.0165 368 TYR A CD1 2972 C CD2 . TYR A 368 ? 0.1898 0.2598 0.2346 -0.0125 0.0004 -0.0147 368 TYR A CD2 2973 C CE1 . TYR A 368 ? 0.1886 0.2616 0.2468 -0.0137 0.0001 -0.0137 368 TYR A CE1 2974 C CE2 . TYR A 368 ? 0.1895 0.2618 0.2367 -0.0143 0.0017 -0.0123 368 TYR A CE2 2975 C CZ . TYR A 368 ? 0.1844 0.2582 0.2380 -0.0148 0.0016 -0.0116 368 TYR A CZ 2976 O OH . TYR A 368 ? 0.1817 0.2575 0.2367 -0.0164 0.0032 -0.0090 368 TYR A OH 2977 N N . TYR A 369 ? 0.1868 0.2496 0.2334 -0.0048 -0.0083 -0.0266 369 TYR A N 2978 C CA . TYR A 369 ? 0.1967 0.2588 0.2459 -0.0033 -0.0112 -0.0297 369 TYR A CA 2979 C C . TYR A 369 ? 0.2026 0.2646 0.2574 -0.0024 -0.0129 -0.0320 369 TYR A C 2980 O O . TYR A 369 ? 0.2067 0.2696 0.2682 -0.0023 -0.0147 -0.0337 369 TYR A O 2981 C CB . TYR A 369 ? 0.1987 0.2580 0.2403 -0.0010 -0.0128 -0.0316 369 TYR A CB 2982 C CG . TYR A 369 ? 0.1999 0.2587 0.2355 -0.0013 -0.0114 -0.0300 369 TYR A CG 2983 C CD1 . TYR A 369 ? 0.1913 0.2523 0.2294 -0.0033 -0.0098 -0.0278 369 TYR A CD1 2984 C CD2 . TYR A 369 ? 0.2030 0.2589 0.2303 0.0005 -0.0116 -0.0306 369 TYR A CD2 2985 C CE1 . TYR A 369 ? 0.1921 0.2525 0.2249 -0.0035 -0.0085 -0.0267 369 TYR A CE1 2986 C CE2 . TYR A 369 ? 0.2001 0.2554 0.2224 0.0004 -0.0103 -0.0292 369 TYR A CE2 2987 C CZ . TYR A 369 ? 0.1964 0.2540 0.2217 -0.0016 -0.0088 -0.0273 369 TYR A CZ 2988 O OH . TYR A 369 ? 0.1979 0.2549 0.2185 -0.0018 -0.0075 -0.0262 369 TYR A OH 2989 N N . LEU A 370 ? 0.2019 0.2627 0.2543 -0.0018 -0.0124 -0.0322 370 LEU A N 2990 C CA . LEU A 370 ? 0.2047 0.2651 0.2619 -0.0010 -0.0139 -0.0346 370 LEU A CA 2991 C C . LEU A 370 ? 0.2052 0.2684 0.2721 -0.0029 -0.0129 -0.0331 370 LEU A C 2992 O O . LEU A 370 ? 0.2035 0.2671 0.2774 -0.0025 -0.0145 -0.0353 370 LEU A O 2993 C CB . LEU A 370 ? 0.2067 0.2651 0.2588 0.0000 -0.0131 -0.0350 370 LEU A CB 2994 C CG . LEU A 370 ? 0.2108 0.2659 0.2529 0.0022 -0.0138 -0.0365 370 LEU A CG 2995 C CD1 . LEU A 370 ? 0.2087 0.2620 0.2466 0.0027 -0.0120 -0.0362 370 LEU A CD1 2996 C CD2 . LEU A 370 ? 0.2130 0.2666 0.2545 0.0045 -0.0174 -0.0405 370 LEU A CD2 2997 N N . GLN A 371 ? 0.2035 0.2684 0.2709 -0.0049 -0.0101 -0.0293 371 GLN A N 2998 C CA . GLN A 371 ? 0.2107 0.2780 0.2864 -0.0067 -0.0088 -0.0273 371 GLN A CA 2999 C C . GLN A 371 ? 0.2131 0.2821 0.2952 -0.0074 -0.0091 -0.0271 371 GLN A C 3000 O O . GLN A 371 ? 0.2112 0.2815 0.3017 -0.0081 -0.0089 -0.0269 371 GLN A O 3001 C CB . GLN A 371 ? 0.2122 0.2807 0.2858 -0.0083 -0.0060 -0.0233 371 GLN A CB 3002 C CG . GLN A 371 ? 0.2184 0.2856 0.2885 -0.0078 -0.0053 -0.0232 371 GLN A CG 3003 C CD . GLN A 371 ? 0.2297 0.2968 0.3061 -0.0073 -0.0060 -0.0247 371 GLN A CD 3004 O OE1 . GLN A 371 ? 0.2493 0.3147 0.3230 -0.0062 -0.0062 -0.0263 371 GLN A OE1 3005 N NE2 . GLN A 371 ? 0.2286 0.2974 0.3136 -0.0082 -0.0060 -0.0242 371 GLN A NE2 3006 N N . TYR A 372 ? 0.2202 0.2890 0.2986 -0.0074 -0.0094 -0.0272 372 TYR A N 3007 C CA . TYR A 372 ? 0.2361 0.3063 0.3206 -0.0081 -0.0095 -0.0272 372 TYR A CA 3008 C C . TYR A 372 ? 0.2489 0.3181 0.3355 -0.0064 -0.0125 -0.0310 372 TYR A C 3009 O O . TYR A 372 ? 0.2488 0.3190 0.3399 -0.0069 -0.0125 -0.0311 372 TYR A O 3010 C CB . TYR A 372 ? 0.2210 0.2923 0.3023 -0.0097 -0.0071 -0.0240 372 TYR A CB 3011 C CG . TYR A 372 ? 0.2172 0.2874 0.2898 -0.0092 -0.0072 -0.0241 372 TYR A CG 3012 C CD1 . TYR A 372 ? 0.2171 0.2855 0.2866 -0.0073 -0.0097 -0.0271 372 TYR A CD1 3013 C CD2 . TYR A 372 ? 0.2121 0.2831 0.2799 -0.0106 -0.0049 -0.0211 372 TYR A CD2 3014 C CE1 . TYR A 372 ? 0.2203 0.2876 0.2824 -0.0069 -0.0095 -0.0270 372 TYR A CE1 3015 C CE2 . TYR A 372 ? 0.2105 0.2805 0.2712 -0.0103 -0.0047 -0.0212 372 TYR A CE2 3016 C CZ . TYR A 372 ? 0.2199 0.2880 0.2778 -0.0084 -0.0069 -0.0240 372 TYR A CZ 3017 O OH . TYR A 372 ? 0.2206 0.2876 0.2717 -0.0081 -0.0066 -0.0238 372 TYR A OH 3018 N N . LYS A 373 ? 0.2655 0.3327 0.3491 -0.0044 -0.0150 -0.0342 373 LYS A N 3019 C CA . LYS A 373 ? 0.2876 0.3537 0.3719 -0.0025 -0.0185 -0.0380 373 LYS A CA 3020 C C . LYS A 373 ? 0.3051 0.3725 0.4007 -0.0027 -0.0199 -0.0400 373 LYS A C 3021 O O . LYS A 373 ? 0.3063 0.3733 0.4039 -0.0015 -0.0225 -0.0427 373 LYS A O 3022 C CB . LYS A 373 ? 0.2857 0.3492 0.3639 -0.0002 -0.0209 -0.0410 373 LYS A CB 3023 C CG . LYS A 373 ? 0.2947 0.3580 0.3776 0.0002 -0.0217 -0.0428 373 LYS A CG 3024 C CD . LYS A 373 ? 0.3098 0.3704 0.3853 0.0027 -0.0240 -0.0459 373 LYS A CD 3025 C CE . LYS A 373 ? 0.3189 0.3789 0.3966 0.0029 -0.0236 -0.0468 373 LYS A CE 3026 N NZ . LYS A 373 ? 0.3448 0.4061 0.4332 0.0029 -0.0255 -0.0496 373 LYS A NZ 3027 N N . ASP A 374 ? 0.3316 0.4006 0.4350 -0.0040 -0.0182 -0.0387 374 ASP A N 3028 C CA . ASP A 374 ? 0.3743 0.4444 0.4894 -0.0041 -0.0192 -0.0406 374 ASP A CA 3029 C C . ASP A 374 ? 0.3855 0.4576 0.5069 -0.0060 -0.0167 -0.0379 374 ASP A C 3030 O O . ASP A 374 ? 0.4108 0.4838 0.5424 -0.0062 -0.0171 -0.0393 374 ASP A O 3031 C CB . ASP A 374 ? 0.3850 0.4553 0.5065 -0.0041 -0.0194 -0.0416 374 ASP A CB 3032 C CG . ASP A 374 ? 0.4135 0.4818 0.5307 -0.0019 -0.0226 -0.0456 374 ASP A CG 3033 O OD1 . ASP A 374 ? 0.4130 0.4800 0.5276 0.0000 -0.0259 -0.0490 374 ASP A OD1 3034 O OD2 . ASP A 374 ? 0.4568 0.5247 0.5731 -0.0019 -0.0217 -0.0452 374 ASP A OD2 3035 N N . LEU A 375 ? 0.3587 0.4312 0.4739 -0.0073 -0.0139 -0.0343 375 LEU A N 3036 C CA . LEU A 375 ? 0.3669 0.4409 0.4864 -0.0089 -0.0112 -0.0317 375 LEU A CA 3037 C C . LEU A 375 ? 0.3856 0.4593 0.5060 -0.0082 -0.0128 -0.0337 375 LEU A C 3038 O O . LEU A 375 ? 0.3826 0.4549 0.4970 -0.0067 -0.0156 -0.0362 375 LEU A O 3039 C CB . LEU A 375 ? 0.3545 0.4291 0.4668 -0.0104 -0.0080 -0.0274 375 LEU A CB 3040 C CG . LEU A 375 ? 0.3547 0.4297 0.4650 -0.0113 -0.0061 -0.0245 375 LEU A CG 3041 C CD1 . LEU A 375 ? 0.3436 0.4192 0.4467 -0.0127 -0.0035 -0.0208 375 LEU A CD1 3042 C CD2 . LEU A 375 ? 0.3580 0.4341 0.4783 -0.0120 -0.0047 -0.0234 375 LEU A CD2 3043 N N . PRO A 376 ? 0.3946 0.4696 0.5225 -0.0094 -0.0109 -0.0327 376 PRO A N 3044 C CA . PRO A 376 ? 0.4001 0.4749 0.5287 -0.0090 -0.0117 -0.0340 376 PRO A CA 3045 C C . PRO A 376 ? 0.3948 0.4688 0.5119 -0.0088 -0.0117 -0.0331 376 PRO A C 3046 O O . PRO A 376 ? 0.4020 0.4761 0.5125 -0.0099 -0.0093 -0.0300 376 PRO A O 3047 C CB . PRO A 376 ? 0.4022 0.4785 0.5376 -0.0109 -0.0078 -0.0311 376 PRO A CB 3048 C CG . PRO A 376 ? 0.4036 0.4807 0.5468 -0.0114 -0.0067 -0.0303 376 PRO A CG 3049 C CD . PRO A 376 ? 0.4045 0.4809 0.5410 -0.0109 -0.0078 -0.0302 376 PRO A CD 3050 N N . VAL A 377 ? 0.3685 0.4415 0.4838 -0.0074 -0.0144 -0.0357 377 VAL A N 3051 C CA . VAL A 377 ? 0.3651 0.4367 0.4695 -0.0067 -0.0150 -0.0354 377 VAL A CA 3052 C C . VAL A 377 ? 0.3891 0.4614 0.4883 -0.0085 -0.0113 -0.0318 377 VAL A C 3053 O O . VAL A 377 ? 0.3830 0.4544 0.4729 -0.0083 -0.0109 -0.0307 377 VAL A O 3054 C CB . VAL A 377 ? 0.3740 0.4445 0.4784 -0.0048 -0.0185 -0.0387 377 VAL A CB 3055 C CG1 . VAL A 377 ? 0.3817 0.4530 0.4889 -0.0057 -0.0169 -0.0378 377 VAL A CG1 3056 C CG2 . VAL A 377 ? 0.3846 0.4531 0.4782 -0.0031 -0.0205 -0.0395 377 VAL A CG2 3057 N N . SER A 378 ? 0.3801 0.4539 0.4852 -0.0101 -0.0084 -0.0300 378 SER A N 3058 C CA . SER A 378 ? 0.3873 0.4617 0.4875 -0.0118 -0.0049 -0.0268 378 SER A CA 3059 C C . SER A 378 ? 0.3724 0.4474 0.4682 -0.0130 -0.0026 -0.0237 378 SER A C 3060 O O . SER A 378 ? 0.4011 0.4765 0.4910 -0.0141 -0.0003 -0.0213 378 SER A O 3061 C CB . SER A 378 ? 0.3873 0.4628 0.4946 -0.0130 -0.0025 -0.0260 378 SER A CB 3062 O OG . SER A 378 ? 0.4175 0.4924 0.5263 -0.0120 -0.0043 -0.0284 378 SER A OG 3063 N N . LEU A 379 ? 0.3442 0.4194 0.4432 -0.0128 -0.0033 -0.0237 379 LEU A N 3064 C CA . LEU A 379 ? 0.3316 0.4074 0.4270 -0.0137 -0.0015 -0.0209 379 LEU A CA 3065 C C . LEU A 379 ? 0.3219 0.3964 0.4098 -0.0126 -0.0033 -0.0218 379 LEU A C 3066 O O . LEU A 379 ? 0.3176 0.3924 0.4030 -0.0132 -0.0023 -0.0199 379 LEU A O 3067 C CB . LEU A 379 ? 0.3329 0.4096 0.4366 -0.0142 -0.0005 -0.0199 379 LEU A CB 3068 C CG . LEU A 379 ? 0.3324 0.4101 0.4450 -0.0151 0.0015 -0.0191 379 LEU A CG 3069 C CD1 . LEU A 379 ? 0.3334 0.4118 0.4541 -0.0154 0.0023 -0.0182 379 LEU A CD1 3070 C CD2 . LEU A 379 ? 0.3470 0.4255 0.4563 -0.0166 0.0049 -0.0160 379 LEU A CD2 3071 N N . ARG A 380 ? 0.3055 0.3784 0.3899 -0.0110 -0.0059 -0.0246 380 ARG A N 3072 C CA . ARG A 380 ? 0.3041 0.3754 0.3810 -0.0097 -0.0074 -0.0255 380 ARG A CA 3073 C C . ARG A 380 ? 0.2896 0.3605 0.3580 -0.0103 -0.0059 -0.0237 380 ARG A C 3074 O O . ARG A 380 ? 0.2778 0.3473 0.3413 -0.0091 -0.0072 -0.0251 380 ARG A O 3075 C CB . ARG A 380 ? 0.2951 0.3646 0.3719 -0.0074 -0.0111 -0.0293 380 ARG A CB 3076 C CG . ARG A 380 ? 0.2988 0.3685 0.3832 -0.0067 -0.0130 -0.0315 380 ARG A CG 3077 C CD . ARG A 380 ? 0.2973 0.3651 0.3802 -0.0042 -0.0170 -0.0355 380 ARG A CD 3078 N NE . ARG A 380 ? 0.2971 0.3656 0.3899 -0.0037 -0.0190 -0.0381 380 ARG A NE 3079 C CZ . ARG A 380 ? 0.2963 0.3638 0.3910 -0.0017 -0.0227 -0.0418 380 ARG A CZ 3080 N NH1 . ARG A 380 ? 0.2980 0.3635 0.3846 0.0002 -0.0250 -0.0434 380 ARG A NH1 3081 N NH2 . ARG A 380 ? 0.2916 0.3601 0.3966 -0.0016 -0.0242 -0.0440 380 ARG A NH2 3082 N N . ARG A 381 ? 0.2886 0.3608 0.3556 -0.0120 -0.0032 -0.0207 381 ARG A N 3083 C CA . ARG A 381 ? 0.2926 0.3647 0.3523 -0.0127 -0.0016 -0.0190 381 ARG A CA 3084 C C . ARG A 381 ? 0.2673 0.3406 0.3258 -0.0140 0.0000 -0.0164 381 ARG A C 3085 O O . ARG A 381 ? 0.2695 0.3436 0.3330 -0.0143 0.0001 -0.0157 381 ARG A O 3086 C CB . ARG A 381 ? 0.3323 0.4054 0.3924 -0.0139 0.0000 -0.0181 381 ARG A CB 3087 C CG . ARG A 381 ? 0.3897 0.4626 0.4549 -0.0132 -0.0012 -0.0202 381 ARG A CG 3088 C CD . ARG A 381 ? 0.4335 0.5077 0.5018 -0.0147 0.0011 -0.0188 381 ARG A CD 3089 N NE . ARG A 381 ? 0.4883 0.5623 0.5624 -0.0140 0.0000 -0.0209 381 ARG A NE 3090 C CZ . ARG A 381 ? 0.4987 0.5718 0.5707 -0.0134 -0.0006 -0.0223 381 ARG A CZ 3091 N NH1 . ARG A 381 ? 0.5137 0.5862 0.5781 -0.0135 -0.0001 -0.0217 381 ARG A NH1 3092 N NH2 . ARG A 381 ? 0.4990 0.5720 0.5771 -0.0127 -0.0019 -0.0243 381 ARG A NH2 3093 N N . GLY A 382 ? 0.2522 0.3254 0.3045 -0.0146 0.0012 -0.0150 382 GLY A N 3094 C CA . GLY A 382 ? 0.2337 0.3082 0.2852 -0.0158 0.0027 -0.0124 382 GLY A CA 3095 C C . GLY A 382 ? 0.2172 0.2937 0.2718 -0.0174 0.0045 -0.0102 382 GLY A C 3096 O O . GLY A 382 ? 0.2120 0.2888 0.2681 -0.0177 0.0050 -0.0106 382 GLY A O 3097 N N . ALA A 383 ? 0.2048 0.2826 0.2603 -0.0184 0.0055 -0.0077 383 ALA A N 3098 C CA . ALA A 383 ? 0.2026 0.2821 0.2595 -0.0198 0.0075 -0.0052 383 ALA A CA 3099 C C . ALA A 383 ? 0.2096 0.2893 0.2614 -0.0205 0.0086 -0.0050 383 ALA A C 3100 O O . ALA A 383 ? 0.2110 0.2915 0.2640 -0.0213 0.0100 -0.0043 383 ALA A O 3101 C CB . ALA A 383 ? 0.2002 0.2809 0.2573 -0.0204 0.0081 -0.0025 383 ALA A CB 3102 N N . ASN A 384 ? 0.2027 0.2819 0.2490 -0.0204 0.0081 -0.0057 384 ASN A N 3103 C CA . ASN A 384 ? 0.2054 0.2841 0.2473 -0.0206 0.0086 -0.0067 384 ASN A CA 3104 C C . ASN A 384 ? 0.2071 0.2842 0.2453 -0.0195 0.0074 -0.0084 384 ASN A C 3105 O O . ASN A 384 ? 0.2079 0.2844 0.2465 -0.0188 0.0065 -0.0085 384 ASN A O 3106 C CB . ASN A 384 ? 0.2035 0.2838 0.2420 -0.0221 0.0103 -0.0048 384 ASN A CB 3107 C CG . ASN A 384 ? 0.2035 0.2845 0.2388 -0.0226 0.0101 -0.0035 384 ASN A CG 3108 O OD1 . ASN A 384 ? 0.2034 0.2834 0.2365 -0.0219 0.0092 -0.0046 384 ASN A OD1 3109 N ND2 . ASN A 384 ? 0.1961 0.2788 0.2309 -0.0236 0.0109 -0.0012 384 ASN A ND2 3110 N N . PRO A 385 ? 0.2074 0.2836 0.2423 -0.0193 0.0076 -0.0097 385 PRO A N 3111 C CA . PRO A 385 ? 0.2075 0.2817 0.2390 -0.0180 0.0066 -0.0112 385 PRO A CA 3112 C C . PRO A 385 ? 0.2070 0.2812 0.2356 -0.0182 0.0070 -0.0101 385 PRO A C 3113 O O . PRO A 385 ? 0.2075 0.2800 0.2345 -0.0170 0.0063 -0.0110 385 PRO A O 3114 C CB . PRO A 385 ? 0.2083 0.2817 0.2369 -0.0180 0.0072 -0.0122 385 PRO A CB 3115 C CG . PRO A 385 ? 0.2106 0.2852 0.2429 -0.0187 0.0077 -0.0122 385 PRO A CG 3116 C CD . PRO A 385 ? 0.2109 0.2874 0.2454 -0.0200 0.0087 -0.0101 385 PRO A CD 3117 N N . GLY A 386 ? 0.2046 0.2806 0.2324 -0.0198 0.0081 -0.0084 386 GLY A N 3118 C CA . GLY A 386 ? 0.1992 0.2757 0.2255 -0.0202 0.0083 -0.0073 386 GLY A CA 3119 C C . GLY A 386 ? 0.1910 0.2673 0.2203 -0.0195 0.0074 -0.0067 386 GLY A C 3120 O O . GLY A 386 ? 0.1925 0.2680 0.2206 -0.0191 0.0074 -0.0068 386 GLY A O 3121 N N . PHE A 387 ? 0.1913 0.2684 0.2248 -0.0195 0.0070 -0.0062 387 PHE A N 3122 C CA . PHE A 387 ? 0.1936 0.2704 0.2306 -0.0188 0.0062 -0.0061 387 PHE A CA 3123 C C . PHE A 387 ? 0.2014 0.2757 0.2371 -0.0171 0.0052 -0.0083 387 PHE A C 3124 O O . PHE A 387 ? 0.2008 0.2743 0.2366 -0.0165 0.0050 -0.0084 387 PHE A O 3125 C CB . PHE A 387 ? 0.1916 0.2692 0.2340 -0.0189 0.0059 -0.0056 387 PHE A CB 3126 C CG . PHE A 387 ? 0.1853 0.2650 0.2298 -0.0202 0.0068 -0.0029 387 PHE A CG 3127 C CD1 . PHE A 387 ? 0.1893 0.2703 0.2310 -0.0214 0.0079 -0.0015 387 PHE A CD1 3128 C CD2 . PHE A 387 ? 0.1860 0.2663 0.2353 -0.0201 0.0066 -0.0017 387 PHE A CD2 3129 C CE1 . PHE A 387 ? 0.1879 0.2708 0.2310 -0.0223 0.0087 0.0011 387 PHE A CE1 3130 C CE2 . PHE A 387 ? 0.1911 0.2732 0.2423 -0.0211 0.0075 0.0011 387 PHE A CE2 3131 C CZ . PHE A 387 ? 0.1927 0.2760 0.2404 -0.0221 0.0085 0.0026 387 PHE A CZ 3132 N N . HIS A 388 ? 0.1994 0.2723 0.2338 -0.0162 0.0046 -0.0102 388 HIS A N 3133 C CA . HIS A 388 ? 0.2058 0.2762 0.2384 -0.0143 0.0035 -0.0124 388 HIS A CA 3134 C C . HIS A 388 ? 0.2046 0.2735 0.2323 -0.0138 0.0043 -0.0124 388 HIS A C 3135 O O . HIS A 388 ? 0.1965 0.2636 0.2231 -0.0125 0.0040 -0.0132 388 HIS A O 3136 C CB . HIS A 388 ? 0.2068 0.2761 0.2387 -0.0134 0.0026 -0.0142 388 HIS A CB 3137 C CG . HIS A 388 ? 0.2110 0.2789 0.2452 -0.0117 0.0006 -0.0164 388 HIS A CG 3138 N ND1 . HIS A 388 ? 0.2070 0.2726 0.2382 -0.0099 -0.0003 -0.0179 388 HIS A ND1 3139 C CD2 . HIS A 388 ? 0.2042 0.2728 0.2437 -0.0115 -0.0006 -0.0174 388 HIS A CD2 3140 C CE1 . HIS A 388 ? 0.2089 0.2737 0.2429 -0.0086 -0.0023 -0.0199 388 HIS A CE1 3141 N NE2 . HIS A 388 ? 0.2072 0.2739 0.2468 -0.0096 -0.0026 -0.0197 388 HIS A NE2 3142 N N . GLU A 389 ? 0.2002 0.2698 0.2252 -0.0149 0.0056 -0.0114 389 GLU A N 3143 C CA . GLU A 389 ? 0.2069 0.2753 0.2280 -0.0147 0.0068 -0.0112 389 GLU A CA 3144 C C . GLU A 389 ? 0.2037 0.2729 0.2262 -0.0153 0.0074 -0.0099 389 GLU A C 3145 O O . GLU A 389 ? 0.2123 0.2799 0.2325 -0.0147 0.0083 -0.0101 389 GLU A O 3146 C CB . GLU A 389 ? 0.2086 0.2778 0.2274 -0.0158 0.0079 -0.0108 389 GLU A CB 3147 C CG . GLU A 389 ? 0.2109 0.2790 0.2280 -0.0152 0.0076 -0.0121 389 GLU A CG 3148 C CD . GLU A 389 ? 0.2186 0.2836 0.2328 -0.0130 0.0070 -0.0136 389 GLU A CD 3149 O OE1 . GLU A 389 ? 0.2282 0.2915 0.2402 -0.0121 0.0076 -0.0136 389 GLU A OE1 3150 O OE2 . GLU A 389 ? 0.2133 0.2774 0.2272 -0.0119 0.0060 -0.0149 389 GLU A OE2 3151 N N . ALA A 390 ? 0.1844 0.2559 0.2108 -0.0165 0.0070 -0.0085 390 ALA A N 3152 C CA . ALA A 390 ? 0.1822 0.2547 0.2105 -0.0171 0.0074 -0.0070 390 ALA A CA 3153 C C . ALA A 390 ? 0.1774 0.2486 0.2077 -0.0160 0.0071 -0.0075 390 ALA A C 3154 O O . ALA A 390 ? 0.1768 0.2479 0.2077 -0.0161 0.0077 -0.0068 390 ALA A O 3155 C CB . ALA A 390 ? 0.1789 0.2544 0.2101 -0.0187 0.0073 -0.0050 390 ALA A CB 3156 N N . ILE A 391 ? 0.1699 0.2401 0.2016 -0.0149 0.0060 -0.0089 391 ILE A N 3157 C CA . ILE A 391 ? 0.1675 0.2369 0.2023 -0.0140 0.0055 -0.0095 391 ILE A CA 3158 C C . ILE A 391 ? 0.1625 0.2295 0.1944 -0.0129 0.0064 -0.0102 391 ILE A C 3159 O O . ILE A 391 ? 0.1611 0.2285 0.1957 -0.0131 0.0069 -0.0094 391 ILE A O 3160 C CB . ILE A 391 ? 0.1706 0.2389 0.2071 -0.0128 0.0039 -0.0115 391 ILE A CB 3161 C CG1 . ILE A 391 ? 0.1748 0.2452 0.2148 -0.0138 0.0034 -0.0108 391 ILE A CG1 3162 C CG2 . ILE A 391 ? 0.1701 0.2376 0.2099 -0.0118 0.0034 -0.0124 391 ILE A CG2 3163 C CD1 . ILE A 391 ? 0.1780 0.2511 0.2222 -0.0154 0.0040 -0.0081 391 ILE A CD1 3164 N N . GLY A 392 ? 0.1634 0.2281 0.1903 -0.0117 0.0068 -0.0116 392 GLY A N 3165 C CA . GLY A 392 ? 0.1665 0.2284 0.1902 -0.0103 0.0080 -0.0124 392 GLY A CA 3166 C C . GLY A 392 ? 0.1695 0.2320 0.1931 -0.0114 0.0099 -0.0107 392 GLY A C 3167 O O . GLY A 392 ? 0.1719 0.2332 0.1958 -0.0109 0.0111 -0.0107 392 GLY A O 3168 N N . ASP A 393 ? 0.1753 0.2398 0.1989 -0.0129 0.0101 -0.0095 393 ASP A N 3169 C CA . ASP A 393 ? 0.1850 0.2506 0.2091 -0.0141 0.0115 -0.0082 393 ASP A CA 3170 C C . ASP A 393 ? 0.1798 0.2474 0.2090 -0.0150 0.0112 -0.0067 393 ASP A C 3171 O O . ASP A 393 ? 0.1797 0.2471 0.2102 -0.0153 0.0124 -0.0061 393 ASP A O 3172 C CB . ASP A 393 ? 0.1952 0.2627 0.2183 -0.0155 0.0114 -0.0075 393 ASP A CB 3173 C CG . ASP A 393 ? 0.2120 0.2774 0.2304 -0.0146 0.0122 -0.0087 393 ASP A CG 3174 O OD1 . ASP A 393 ? 0.2351 0.2978 0.2507 -0.0129 0.0121 -0.0100 393 ASP A OD1 3175 O OD2 . ASP A 393 ? 0.2149 0.2812 0.2324 -0.0157 0.0129 -0.0083 393 ASP A OD2 3176 N N . VAL A 394 ? 0.1824 0.2520 0.2150 -0.0156 0.0098 -0.0061 394 VAL A N 3177 C CA . VAL A 394 ? 0.1863 0.2577 0.2239 -0.0163 0.0094 -0.0046 394 VAL A CA 3178 C C . VAL A 394 ? 0.1872 0.2565 0.2262 -0.0152 0.0103 -0.0053 394 VAL A C 3179 O O . VAL A 394 ? 0.1783 0.2483 0.2200 -0.0157 0.0110 -0.0042 394 VAL A O 3180 C CB . VAL A 394 ? 0.1929 0.2659 0.2339 -0.0167 0.0080 -0.0039 394 VAL A CB 3181 C CG1 . VAL A 394 ? 0.1993 0.2738 0.2458 -0.0171 0.0077 -0.0024 394 VAL A CG1 3182 C CG2 . VAL A 394 ? 0.1980 0.2734 0.2382 -0.0180 0.0075 -0.0027 394 VAL A CG2 3183 N N . LEU A 395 ? 0.1892 0.2560 0.2263 -0.0136 0.0102 -0.0073 395 LEU A N 3184 C CA . LEU A 395 ? 0.2040 0.2685 0.2416 -0.0124 0.0112 -0.0082 395 LEU A CA 3185 C C . LEU A 395 ? 0.2017 0.2643 0.2364 -0.0120 0.0134 -0.0082 395 LEU A C 3186 O O . LEU A 395 ? 0.1953 0.2574 0.2326 -0.0119 0.0147 -0.0079 395 LEU A O 3187 C CB . LEU A 395 ? 0.2127 0.2747 0.2482 -0.0106 0.0104 -0.0106 395 LEU A CB 3188 C CG . LEU A 395 ? 0.2197 0.2830 0.2603 -0.0106 0.0088 -0.0110 395 LEU A CG 3189 C CD1 . LEU A 395 ? 0.2159 0.2821 0.2591 -0.0120 0.0074 -0.0097 395 LEU A CD1 3190 C CD2 . LEU A 395 ? 0.2308 0.2913 0.2688 -0.0086 0.0079 -0.0139 395 LEU A CD2 3191 N N . ALA A 396 ? 0.2045 0.2662 0.2345 -0.0119 0.0140 -0.0086 396 ALA A N 3192 C CA . ALA A 396 ? 0.2052 0.2649 0.2326 -0.0114 0.0164 -0.0086 396 ALA A CA 3193 C C . ALA A 396 ? 0.2072 0.2691 0.2390 -0.0130 0.0171 -0.0069 396 ALA A C 3194 O O . ALA A 396 ? 0.2114 0.2718 0.2437 -0.0127 0.0193 -0.0068 396 ALA A O 3195 C CB . ALA A 396 ? 0.2052 0.2636 0.2273 -0.0110 0.0167 -0.0092 396 ALA A CB 3196 N N . LEU A 397 ? 0.1967 0.2622 0.2319 -0.0147 0.0154 -0.0055 397 LEU A N 3197 C CA . LEU A 397 ? 0.2003 0.2682 0.2401 -0.0161 0.0155 -0.0040 397 LEU A CA 3198 C C . LEU A 397 ? 0.2043 0.2718 0.2487 -0.0158 0.0162 -0.0036 397 LEU A C 3199 O O . LEU A 397 ? 0.2172 0.2847 0.2642 -0.0162 0.0175 -0.0031 397 LEU A O 3200 C CB . LEU A 397 ? 0.2011 0.2727 0.2428 -0.0177 0.0133 -0.0025 397 LEU A CB 3201 C CG . LEU A 397 ? 0.1977 0.2704 0.2360 -0.0185 0.0128 -0.0027 397 LEU A CG 3202 C CD1 . LEU A 397 ? 0.2001 0.2760 0.2400 -0.0197 0.0108 -0.0012 397 LEU A CD1 3203 C CD2 . LEU A 397 ? 0.2053 0.2780 0.2431 -0.0190 0.0140 -0.0028 397 LEU A CD2 3204 N N . SER A 398 ? 0.1926 0.2598 0.2385 -0.0151 0.0154 -0.0039 398 SER A N 3205 C CA . SER A 398 ? 0.1885 0.2549 0.2386 -0.0147 0.0162 -0.0039 398 SER A CA 3206 C C . SER A 398 ? 0.1929 0.2555 0.2402 -0.0132 0.0189 -0.0054 398 SER A C 3207 O O . SER A 398 ? 0.1890 0.2510 0.2397 -0.0132 0.0205 -0.0050 398 SER A O 3208 C CB . SER A 398 ? 0.1930 0.2596 0.2452 -0.0141 0.0148 -0.0043 398 SER A CB 3209 O OG . SER A 398 ? 0.1859 0.2559 0.2425 -0.0155 0.0130 -0.0023 398 SER A OG 3210 N N . VAL A 399 ? 0.1911 0.2510 0.2321 -0.0118 0.0194 -0.0070 399 VAL A N 3211 C CA . VAL A 399 ? 0.1997 0.2554 0.2366 -0.0100 0.0220 -0.0084 399 VAL A CA 3212 C C . VAL A 399 ? 0.2044 0.2594 0.2418 -0.0104 0.0246 -0.0076 399 VAL A C 3213 O O . VAL A 399 ? 0.2126 0.2651 0.2504 -0.0095 0.0272 -0.0079 399 VAL A O 3214 C CB . VAL A 399 ? 0.2015 0.2546 0.2312 -0.0084 0.0216 -0.0100 399 VAL A CB 3215 C CG1 . VAL A 399 ? 0.2117 0.2603 0.2361 -0.0065 0.0245 -0.0111 399 VAL A CG1 3216 C CG2 . VAL A 399 ? 0.2042 0.2575 0.2344 -0.0077 0.0194 -0.0113 399 VAL A CG2 3217 N N . SER A 400 ? 0.2049 0.2619 0.2423 -0.0117 0.0240 -0.0067 400 SER A N 3218 C CA . SER A 400 ? 0.2129 0.2692 0.2512 -0.0121 0.0265 -0.0062 400 SER A CA 3219 C C . SER A 400 ? 0.2050 0.2635 0.2508 -0.0134 0.0268 -0.0050 400 SER A C 3220 O O . SER A 400 ? 0.2057 0.2635 0.2534 -0.0136 0.0291 -0.0048 400 SER A O 3221 C CB . SER A 400 ? 0.2172 0.2746 0.2528 -0.0129 0.0258 -0.0060 400 SER A CB 3222 O OG . SER A 400 ? 0.2378 0.2993 0.2764 -0.0146 0.0229 -0.0051 400 SER A OG 3223 N N . THR A 401 ? 0.1963 0.2574 0.2467 -0.0142 0.0248 -0.0042 401 THR A N 3224 C CA . THR A 401 ? 0.1961 0.2590 0.2539 -0.0151 0.0251 -0.0031 401 THR A CA 3225 C C . THR A 401 ? 0.2107 0.2703 0.2699 -0.0140 0.0286 -0.0038 401 THR A C 3226 O O . THR A 401 ? 0.1990 0.2554 0.2547 -0.0124 0.0300 -0.0049 401 THR A O 3227 C CB . THR A 401 ? 0.1917 0.2576 0.2545 -0.0159 0.0225 -0.0019 401 THR A CB 3228 O OG1 . THR A 401 ? 0.1879 0.2518 0.2495 -0.0146 0.0227 -0.0029 401 THR A OG1 3229 C CG2 . THR A 401 ? 0.1843 0.2535 0.2460 -0.0171 0.0193 -0.0010 401 THR A CG2 3230 N N . PRO A 402 ? 0.2212 0.2813 0.2855 -0.0147 0.0301 -0.0032 402 PRO A N 3231 C CA . PRO A 402 ? 0.2328 0.2898 0.2993 -0.0137 0.0338 -0.0036 402 PRO A CA 3232 C C . PRO A 402 ? 0.2445 0.3005 0.3131 -0.0129 0.0340 -0.0039 402 PRO A C 3233 O O . PRO A 402 ? 0.2465 0.2988 0.3126 -0.0114 0.0370 -0.0050 402 PRO A O 3234 C CB . PRO A 402 ? 0.2326 0.2918 0.3067 -0.0151 0.0342 -0.0027 402 PRO A CB 3235 C CG . PRO A 402 ? 0.2253 0.2874 0.2982 -0.0164 0.0317 -0.0023 402 PRO A CG 3236 C CD . PRO A 402 ? 0.2259 0.2892 0.2935 -0.0164 0.0287 -0.0023 402 PRO A CD 3237 N N . GLU A 403 ? 0.2583 0.3177 0.3314 -0.0139 0.0310 -0.0030 403 GLU A N 3238 C CA . GLU A 403 ? 0.2787 0.3374 0.3546 -0.0132 0.0312 -0.0033 403 GLU A CA 3239 C C . GLU A 403 ? 0.2702 0.3259 0.3389 -0.0116 0.0314 -0.0051 403 GLU A C 3240 O O . GLU A 403 ? 0.2647 0.3175 0.3329 -0.0103 0.0334 -0.0063 403 GLU A O 3241 C CB . GLU A 403 ? 0.3208 0.3835 0.4036 -0.0145 0.0281 -0.0017 403 GLU A CB 3242 C CG . GLU A 403 ? 0.4000 0.4652 0.4804 -0.0150 0.0246 -0.0011 403 GLU A CG 3243 C CD . GLU A 403 ? 0.4586 0.5266 0.5456 -0.0157 0.0224 0.0003 403 GLU A CD 3244 O OE1 . GLU A 403 ? 0.4903 0.5593 0.5842 -0.0162 0.0229 0.0014 403 GLU A OE1 3245 O OE2 . GLU A 403 ? 0.4749 0.5440 0.5604 -0.0158 0.0203 0.0006 403 GLU A OE2 3246 N N . HIS A 404 ? 0.2360 0.2923 0.2991 -0.0116 0.0292 -0.0053 404 HIS A N 3247 C CA . HIS A 404 ? 0.2149 0.2686 0.2715 -0.0100 0.0291 -0.0072 404 HIS A CA 3248 C C . HIS A 404 ? 0.2142 0.2632 0.2643 -0.0082 0.0324 -0.0086 404 HIS A C 3249 O O . HIS A 404 ? 0.2038 0.2496 0.2504 -0.0064 0.0334 -0.0103 404 HIS A O 3250 C CB . HIS A 404 ? 0.2062 0.2617 0.2592 -0.0104 0.0260 -0.0072 404 HIS A CB 3251 C CG . HIS A 404 ? 0.2057 0.2590 0.2537 -0.0088 0.0253 -0.0091 404 HIS A CG 3252 N ND1 . HIS A 404 ? 0.2023 0.2565 0.2535 -0.0087 0.0235 -0.0097 404 HIS A ND1 3253 C CD2 . HIS A 404 ? 0.2096 0.2596 0.2500 -0.0071 0.0260 -0.0108 404 HIS A CD2 3254 C CE1 . HIS A 404 ? 0.2028 0.2545 0.2487 -0.0071 0.0230 -0.0119 404 HIS A CE1 3255 N NE2 . HIS A 404 ? 0.2124 0.2616 0.2515 -0.0060 0.0244 -0.0125 404 HIS A NE2 3256 N N . LEU A 405 ? 0.2071 0.2555 0.2553 -0.0084 0.0340 -0.0080 405 LEU A N 3257 C CA . LEU A 405 ? 0.2148 0.2587 0.2572 -0.0067 0.0376 -0.0089 405 LEU A CA 3258 C C . LEU A 405 ? 0.2305 0.2715 0.2753 -0.0056 0.0410 -0.0094 405 LEU A C 3259 O O . LEU A 405 ? 0.2349 0.2715 0.2736 -0.0036 0.0435 -0.0107 405 LEU A O 3260 C CB . LEU A 405 ? 0.2066 0.2507 0.2490 -0.0074 0.0391 -0.0078 405 LEU A CB 3261 C CG . LEU A 405 ? 0.1993 0.2458 0.2389 -0.0083 0.0362 -0.0075 405 LEU A CG 3262 C CD1 . LEU A 405 ? 0.1953 0.2432 0.2377 -0.0096 0.0372 -0.0065 405 LEU A CD1 3263 C CD2 . LEU A 405 ? 0.2001 0.2435 0.2307 -0.0065 0.0361 -0.0087 405 LEU A CD2 3264 N N . HIS A 406 ? 0.2462 0.2897 0.2997 -0.0070 0.0410 -0.0084 406 HIS A N 3265 C CA . HIS A 406 ? 0.2742 0.3153 0.3311 -0.0062 0.0441 -0.0089 406 HIS A CA 3266 C C . HIS A 406 ? 0.2821 0.3214 0.3362 -0.0048 0.0435 -0.0107 406 HIS A C 3267 O O . HIS A 406 ? 0.2883 0.3235 0.3392 -0.0030 0.0466 -0.0120 406 HIS A O 3268 C CB . HIS A 406 ? 0.2794 0.3237 0.3469 -0.0080 0.0439 -0.0075 406 HIS A CB 3269 C CG . HIS A 406 ? 0.3040 0.3461 0.3759 -0.0073 0.0471 -0.0080 406 HIS A CG 3270 N ND1 . HIS A 406 ? 0.3181 0.3563 0.3888 -0.0061 0.0519 -0.0085 406 HIS A ND1 3271 C CD2 . HIS A 406 ? 0.3086 0.3518 0.3862 -0.0075 0.0463 -0.0082 406 HIS A CD2 3272 C CE1 . HIS A 406 ? 0.3288 0.3656 0.4041 -0.0057 0.0540 -0.0090 406 HIS A CE1 3273 N NE2 . HIS A 406 ? 0.3212 0.3611 0.4009 -0.0065 0.0506 -0.0089 406 HIS A NE2 3274 N N . LYS A 407 ? 0.2860 0.3284 0.3415 -0.0056 0.0394 -0.0107 407 LYS A N 3275 C CA . LYS A 407 ? 0.2879 0.3293 0.3418 -0.0044 0.0382 -0.0126 407 LYS A CA 3276 C C . LYS A 407 ? 0.2850 0.3222 0.3287 -0.0021 0.0389 -0.0147 407 LYS A C 3277 O O . LYS A 407 ? 0.2900 0.3246 0.3315 -0.0005 0.0396 -0.0168 407 LYS A O 3278 C CB . LYS A 407 ? 0.3041 0.3496 0.3615 -0.0058 0.0338 -0.0120 407 LYS A CB 3279 C CG . LYS A 407 ? 0.3305 0.3799 0.3978 -0.0077 0.0326 -0.0099 407 LYS A CG 3280 C CD . LYS A 407 ? 0.3649 0.4181 0.4344 -0.0088 0.0286 -0.0091 407 LYS A CD 3281 C CE . LYS A 407 ? 0.3796 0.4368 0.4580 -0.0106 0.0272 -0.0066 407 LYS A CE 3282 N NZ . LYS A 407 ? 0.4022 0.4630 0.4811 -0.0118 0.0237 -0.0052 407 LYS A NZ 3283 N N . ILE A 408 ? 0.2608 0.2974 0.2985 -0.0018 0.0385 -0.0144 408 ILE A N 3284 C CA . ILE A 408 ? 0.2686 0.3012 0.2963 0.0004 0.0390 -0.0162 408 ILE A CA 3285 C C . ILE A 408 ? 0.2722 0.3003 0.2947 0.0020 0.0436 -0.0161 408 ILE A C 3286 O O . ILE A 408 ? 0.2764 0.3011 0.2901 0.0039 0.0442 -0.0169 408 ILE A O 3287 C CB . ILE A 408 ? 0.2711 0.3054 0.2947 0.0002 0.0356 -0.0162 408 ILE A CB 3288 C CG1 . ILE A 408 ? 0.2658 0.3019 0.2903 -0.0012 0.0360 -0.0141 408 ILE A CG1 3289 C CG2 . ILE A 408 ? 0.2670 0.3050 0.2954 -0.0009 0.0316 -0.0165 408 ILE A CG2 3290 C CD1 . ILE A 408 ? 0.2704 0.3073 0.2898 -0.0011 0.0335 -0.0141 408 ILE A CD1 3291 N N . GLY A 409 ? 0.2805 0.3084 0.3088 0.0013 0.0468 -0.0150 409 GLY A N 3292 C CA . GLY A 409 ? 0.2914 0.3146 0.3158 0.0029 0.0519 -0.0150 409 GLY A CA 3293 C C . GLY A 409 ? 0.3011 0.3233 0.3222 0.0029 0.0538 -0.0135 409 GLY A C 3294 O O . GLY A 409 ? 0.3067 0.3243 0.3223 0.0047 0.0579 -0.0135 409 GLY A O 3295 N N . LEU A 410 ? 0.2973 0.3235 0.3218 0.0009 0.0510 -0.0122 410 LEU A N 3296 C CA . LEU A 410 ? 0.3009 0.3265 0.3231 0.0007 0.0526 -0.0110 410 LEU A CA 3297 C C . LEU A 410 ? 0.3145 0.3423 0.3453 -0.0012 0.0544 -0.0094 410 LEU A C 3298 O O . LEU A 410 ? 0.3206 0.3483 0.3508 -0.0016 0.0556 -0.0085 410 LEU A O 3299 C CB . LEU A 410 ? 0.2844 0.3124 0.3030 0.0002 0.0486 -0.0110 410 LEU A CB 3300 C CG . LEU A 410 ? 0.2785 0.3037 0.2875 0.0024 0.0471 -0.0125 410 LEU A CG 3301 C CD1 . LEU A 410 ? 0.2674 0.2958 0.2753 0.0014 0.0430 -0.0123 410 LEU A CD1 3302 C CD2 . LEU A 410 ? 0.2808 0.3004 0.2815 0.0050 0.0510 -0.0126 410 LEU A CD2 3303 N N . LEU A 411 ? 0.3282 0.3581 0.3673 -0.0024 0.0544 -0.0091 411 LEU A N 3304 C CA . LEU A 411 ? 0.3645 0.3969 0.4126 -0.0043 0.0555 -0.0078 411 LEU A CA 3305 C C . LEU A 411 ? 0.4041 0.4369 0.4600 -0.0047 0.0569 -0.0078 411 LEU A C 3306 O O . LEU A 411 ? 0.4069 0.4417 0.4653 -0.0051 0.0541 -0.0082 411 LEU A O 3307 C CB . LEU A 411 ? 0.3444 0.3822 0.3965 -0.0066 0.0508 -0.0069 411 LEU A CB 3308 C CG . LEU A 411 ? 0.3410 0.3819 0.4004 -0.0085 0.0507 -0.0058 411 LEU A CG 3309 C CD1 . LEU A 411 ? 0.3297 0.3678 0.3857 -0.0079 0.0540 -0.0056 411 LEU A CD1 3310 C CD2 . LEU A 411 ? 0.3239 0.3699 0.3855 -0.0104 0.0456 -0.0052 411 LEU A CD2 3311 N N . ASP A 412 ? 0.4783 0.5090 0.5385 -0.0045 0.0613 -0.0073 412 ASP A N 3312 C CA . ASP A 412 ? 0.5470 0.5787 0.6165 -0.0053 0.0625 -0.0072 412 ASP A CA 3313 C C . ASP A 412 ? 0.5779 0.6154 0.6569 -0.0077 0.0584 -0.0060 412 ASP A C 3314 O O . ASP A 412 ? 0.6151 0.6553 0.6962 -0.0091 0.0568 -0.0052 412 ASP A O 3315 C CB . ASP A 412 ? 0.6032 0.6312 0.6756 -0.0045 0.0684 -0.0069 412 ASP A CB 3316 C CG . ASP A 412 ? 0.6419 0.6638 0.7049 -0.0018 0.0726 -0.0080 412 ASP A CG 3317 O OD1 . ASP A 412 ? 0.6707 0.6913 0.7311 -0.0007 0.0723 -0.0092 412 ASP A OD1 3318 O OD2 . ASP A 412 ? 0.6881 0.7064 0.7464 -0.0006 0.0763 -0.0076 412 ASP A OD2 3319 N N . ARG A 413 ? 0.6125 0.6519 0.6969 -0.0082 0.0568 -0.0061 413 ARG A N 3320 C CA . ARG A 413 ? 0.6408 0.6857 0.7330 -0.0103 0.0523 -0.0049 413 ARG A CA 3321 C C . ARG A 413 ? 0.6258 0.6738 0.7235 -0.0119 0.0513 -0.0037 413 ARG A C 3322 O O . ARG A 413 ? 0.6341 0.6809 0.7370 -0.0120 0.0546 -0.0036 413 ARG A O 3323 C CB . ARG A 413 ? 0.6896 0.7352 0.7899 -0.0104 0.0528 -0.0048 413 ARG A CB 3324 C CG . ARG A 413 ? 0.7486 0.7978 0.8516 -0.0113 0.0482 -0.0042 413 ARG A CG 3325 C CD . ARG A 413 ? 0.8096 0.8641 0.9189 -0.0132 0.0442 -0.0024 413 ARG A CD 3326 N NE . ARG A 413 ? 0.8802 0.9377 0.9970 -0.0140 0.0416 -0.0014 413 ARG A NE 3327 C CZ . ARG A 413 ? 0.8904 0.9496 1.0057 -0.0140 0.0385 -0.0011 413 ARG A CZ 3328 N NH1 . ARG A 413 ? 0.8903 0.9485 0.9968 -0.0134 0.0374 -0.0019 413 ARG A NH1 3329 N NH2 . ARG A 413 ? 0.8923 0.9540 1.0152 -0.0147 0.0367 0.0000 413 ARG A NH2 3330 N N . VAL A 414 ? 0.6332 0.6851 0.7299 -0.0131 0.0469 -0.0031 414 VAL A N 3331 C CA . VAL A 414 ? 0.6307 0.6857 0.7318 -0.0147 0.0453 -0.0023 414 VAL A CA 3332 C C . VAL A 414 ? 0.6065 0.6661 0.7168 -0.0162 0.0418 -0.0011 414 VAL A C 3333 O O . VAL A 414 ? 0.6252 0.6861 0.7367 -0.0162 0.0397 -0.0006 414 VAL A O 3334 C CB . VAL A 414 ? 0.6632 0.7192 0.7568 -0.0150 0.0428 -0.0024 414 VAL A CB 3335 C CG1 . VAL A 414 ? 0.6873 0.7471 0.7854 -0.0167 0.0405 -0.0018 414 VAL A CG1 3336 C CG2 . VAL A 414 ? 0.6627 0.7141 0.7480 -0.0135 0.0464 -0.0034 414 VAL A CG2 3337 N N . THR A 415 ? 0.5793 0.6413 0.6963 -0.0174 0.0411 -0.0006 415 THR A N 3338 C CA . THR A 415 ? 0.5654 0.6317 0.6912 -0.0187 0.0377 0.0004 415 THR A CA 3339 C C . THR A 415 ? 0.5170 0.5875 0.6400 -0.0198 0.0324 0.0013 415 THR A C 3340 O O . THR A 415 ? 0.5491 0.6193 0.6650 -0.0198 0.0318 0.0008 415 THR A O 3341 C CB . THR A 415 ? 0.5982 0.6654 0.7330 -0.0195 0.0391 0.0003 415 THR A CB 3342 O OG1 . THR A 415 ? 0.6128 0.6755 0.7458 -0.0185 0.0445 -0.0007 415 THR A OG1 3343 C CG2 . THR A 415 ? 0.5675 0.6366 0.7131 -0.0199 0.0384 0.0011 415 THR A CG2 3344 N N . ASN A 416 ? 0.4711 0.5451 0.5996 -0.0205 0.0289 0.0027 416 ASN A N 3345 C CA . ASN A 416 ? 0.4596 0.5377 0.5864 -0.0214 0.0239 0.0039 416 ASN A CA 3346 C C . ASN A 416 ? 0.4213 0.5024 0.5529 -0.0226 0.0217 0.0039 416 ASN A C 3347 O O . ASN A 416 ? 0.4327 0.5175 0.5690 -0.0233 0.0179 0.0053 416 ASN A O 3348 C CB . ASN A 416 ? 0.4930 0.5731 0.6246 -0.0215 0.0215 0.0056 416 ASN A CB 3349 C CG . ASN A 416 ? 0.5102 0.5928 0.6371 -0.0217 0.0177 0.0070 416 ASN A CG 3350 O OD1 . ASN A 416 ? 0.5878 0.6689 0.7112 -0.0211 0.0182 0.0071 416 ASN A OD1 3351 N ND2 . ASN A 416 ? 0.5105 0.5965 0.6377 -0.0226 0.0141 0.0080 416 ASN A ND2 3352 N N . ASP A 417 ? 0.3684 0.4481 0.4993 -0.0227 0.0240 0.0025 417 ASP A N 3353 C CA . ASP A 417 ? 0.3194 0.4020 0.4562 -0.0238 0.0220 0.0021 417 ASP A CA 3354 C C . ASP A 417 ? 0.2909 0.3750 0.4213 -0.0245 0.0198 0.0015 417 ASP A C 3355 O O . ASP A 417 ? 0.2570 0.3391 0.3788 -0.0240 0.0209 0.0011 417 ASP A O 3356 C CB . ASP A 417 ? 0.3308 0.4112 0.4746 -0.0237 0.0261 0.0010 417 ASP A CB 3357 C CG . ASP A 417 ? 0.3510 0.4272 0.4889 -0.0229 0.0307 -0.0002 417 ASP A CG 3358 O OD1 . ASP A 417 ? 0.3352 0.4117 0.4695 -0.0234 0.0302 -0.0011 417 ASP A OD1 3359 O OD2 . ASP A 417 ? 0.3767 0.4489 0.5137 -0.0218 0.0350 -0.0004 417 ASP A OD2 3360 N N . THR A 418 ? 0.2578 0.3454 0.3927 -0.0255 0.0165 0.0012 418 THR A N 3361 C CA . THR A 418 ? 0.2482 0.3377 0.3774 -0.0262 0.0138 0.0006 418 THR A CA 3362 C C . THR A 418 ? 0.2449 0.3316 0.3703 -0.0261 0.0174 -0.0011 418 THR A C 3363 O O . THR A 418 ? 0.2290 0.3158 0.3469 -0.0263 0.0165 -0.0016 418 THR A O 3364 C CB . THR A 418 ? 0.2536 0.3476 0.3884 -0.0272 0.0093 0.0005 418 THR A CB 3365 O OG1 . THR A 418 ? 0.2489 0.3428 0.3933 -0.0275 0.0109 -0.0006 418 THR A OG1 3366 C CG2 . THR A 418 ? 0.2639 0.3608 0.4007 -0.0272 0.0054 0.0027 418 THR A CG2 3367 N N . GLU A 419 ? 0.2355 0.3196 0.3662 -0.0258 0.0214 -0.0020 419 GLU A N 3368 C CA . GLU A 419 ? 0.2361 0.3170 0.3633 -0.0255 0.0254 -0.0034 419 GLU A CA 3369 C C . GLU A 419 ? 0.2239 0.3013 0.3410 -0.0243 0.0277 -0.0031 419 GLU A C 3370 O O . GLU A 419 ? 0.2128 0.2892 0.3235 -0.0243 0.0283 -0.0038 419 GLU A O 3371 C CB . GLU A 419 ? 0.2580 0.3365 0.3930 -0.0252 0.0298 -0.0041 419 GLU A CB 3372 C CG . GLU A 419 ? 0.2906 0.3723 0.4360 -0.0264 0.0279 -0.0051 419 GLU A CG 3373 C CD . GLU A 419 ? 0.3247 0.4089 0.4787 -0.0266 0.0255 -0.0041 419 GLU A CD 3374 O OE1 . GLU A 419 ? 0.3286 0.4121 0.4808 -0.0259 0.0254 -0.0026 419 GLU A OE1 3375 O OE2 . GLU A 419 ? 0.3936 0.4804 0.5567 -0.0274 0.0237 -0.0050 419 GLU A OE2 3376 N N . SER A 420 ? 0.2104 0.2861 0.3267 -0.0234 0.0290 -0.0021 420 SER A N 3377 C CA . SER A 420 ? 0.2200 0.2923 0.3273 -0.0221 0.0308 -0.0020 420 SER A CA 3378 C C . SER A 420 ? 0.2167 0.2911 0.3169 -0.0225 0.0272 -0.0016 420 SER A C 3379 O O . SER A 420 ? 0.2156 0.2878 0.3081 -0.0218 0.0283 -0.0021 420 SER A O 3380 C CB . SER A 420 ? 0.2153 0.2856 0.3241 -0.0211 0.0326 -0.0013 420 SER A CB 3381 O OG . SER A 420 ? 0.2391 0.3061 0.3520 -0.0204 0.0373 -0.0019 420 SER A OG 3382 N N . ASP A 421 ? 0.2185 0.2970 0.3214 -0.0234 0.0229 -0.0007 421 ASP A N 3383 C CA . ASP A 421 ? 0.2294 0.3102 0.3264 -0.0239 0.0193 -0.0001 421 ASP A CA 3384 C C . ASP A 421 ? 0.2145 0.2957 0.3072 -0.0245 0.0190 -0.0014 421 ASP A C 3385 O O . ASP A 421 ? 0.2044 0.2848 0.2898 -0.0242 0.0187 -0.0015 421 ASP A O 3386 C CB . ASP A 421 ? 0.2532 0.3381 0.3542 -0.0247 0.0150 0.0012 421 ASP A CB 3387 C CG . ASP A 421 ? 0.3012 0.3863 0.4014 -0.0242 0.0140 0.0028 421 ASP A CG 3388 O OD1 . ASP A 421 ? 0.3163 0.3993 0.4101 -0.0234 0.0150 0.0027 421 ASP A OD1 3389 O OD2 . ASP A 421 ? 0.3263 0.4135 0.4325 -0.0244 0.0121 0.0041 421 ASP A OD2 3390 N N . ILE A 422 ? 0.1999 0.2823 0.2979 -0.0253 0.0189 -0.0023 422 ILE A N 3391 C CA . ILE A 422 ? 0.1945 0.2772 0.2896 -0.0259 0.0189 -0.0037 422 ILE A CA 3392 C C . ILE A 422 ? 0.1845 0.2629 0.2742 -0.0249 0.0231 -0.0045 422 ILE A C 3393 O O . ILE A 422 ? 0.1837 0.2618 0.2674 -0.0250 0.0229 -0.0051 422 ILE A O 3394 C CB . ILE A 422 ? 0.1968 0.2817 0.2998 -0.0269 0.0181 -0.0049 422 ILE A CB 3395 C CG1 . ILE A 422 ? 0.1986 0.2881 0.3053 -0.0278 0.0131 -0.0042 422 ILE A CG1 3396 C CG2 . ILE A 422 ? 0.2020 0.2866 0.3027 -0.0275 0.0190 -0.0066 422 ILE A CG2 3397 C CD1 . ILE A 422 ? 0.2072 0.2992 0.3072 -0.0284 0.0095 -0.0039 422 ILE A CD1 3398 N N . ASN A 423 ? 0.1755 0.2505 0.2673 -0.0238 0.0271 -0.0044 423 ASN A N 3399 C CA . ASN A 423 ? 0.1711 0.2417 0.2572 -0.0226 0.0310 -0.0049 423 ASN A CA 3400 C C . ASN A 423 ? 0.1682 0.2379 0.2456 -0.0218 0.0299 -0.0045 423 ASN A C 3401 O O . ASN A 423 ? 0.1605 0.2287 0.2318 -0.0214 0.0307 -0.0050 423 ASN A O 3402 C CB . ASN A 423 ? 0.1750 0.2417 0.2638 -0.0213 0.0355 -0.0047 423 ASN A CB 3403 C CG . ASN A 423 ? 0.1821 0.2483 0.2786 -0.0218 0.0383 -0.0054 423 ASN A CG 3404 O OD1 . ASN A 423 ? 0.1821 0.2504 0.2814 -0.0229 0.0370 -0.0063 423 ASN A OD1 3405 N ND2 . ASN A 423 ? 0.1826 0.2458 0.2825 -0.0208 0.0422 -0.0051 423 ASN A ND2 3406 N N . TYR A 424 ? 0.1633 0.2340 0.2408 -0.0216 0.0281 -0.0035 424 TYR A N 3407 C CA . TYR A 424 ? 0.1685 0.2383 0.2388 -0.0208 0.0270 -0.0032 424 TYR A CA 3408 C C . TYR A 424 ? 0.1677 0.2402 0.2341 -0.0217 0.0239 -0.0033 424 TYR A C 3409 O O . TYR A 424 ? 0.1605 0.2314 0.2206 -0.0211 0.0244 -0.0038 424 TYR A O 3410 C CB . TYR A 424 ? 0.1742 0.2448 0.2466 -0.0205 0.0256 -0.0022 424 TYR A CB 3411 C CG . TYR A 424 ? 0.1784 0.2483 0.2445 -0.0198 0.0244 -0.0021 424 TYR A CG 3412 C CD1 . TYR A 424 ? 0.1881 0.2540 0.2483 -0.0182 0.0268 -0.0029 424 TYR A CD1 3413 C CD2 . TYR A 424 ? 0.1870 0.2601 0.2530 -0.0206 0.0209 -0.0011 424 TYR A CD2 3414 C CE1 . TYR A 424 ? 0.1859 0.2513 0.2409 -0.0175 0.0254 -0.0031 424 TYR A CE1 3415 C CE2 . TYR A 424 ? 0.1877 0.2602 0.2488 -0.0199 0.0199 -0.0011 424 TYR A CE2 3416 C CZ . TYR A 424 ? 0.1919 0.2606 0.2478 -0.0185 0.0221 -0.0022 424 TYR A CZ 3417 O OH . TYR A 424 ? 0.1935 0.2618 0.2453 -0.0178 0.0208 -0.0024 424 TYR A OH 3418 N N . LEU A 425 ? 0.1678 0.2442 0.2379 -0.0231 0.0208 -0.0028 425 LEU A N 3419 C CA . LEU A 425 ? 0.1747 0.2537 0.2411 -0.0240 0.0180 -0.0029 425 LEU A CA 3420 C C . LEU A 425 ? 0.1845 0.2625 0.2483 -0.0243 0.0193 -0.0044 425 LEU A C 3421 O O . LEU A 425 ? 0.1878 0.2660 0.2462 -0.0244 0.0185 -0.0048 425 LEU A O 3422 C CB . LEU A 425 ? 0.1774 0.2605 0.2480 -0.0252 0.0144 -0.0021 425 LEU A CB 3423 C CG . LEU A 425 ? 0.1763 0.2610 0.2484 -0.0251 0.0123 -0.0003 425 LEU A CG 3424 C CD1 . LEU A 425 ? 0.1867 0.2753 0.2629 -0.0261 0.0089 0.0004 425 LEU A CD1 3425 C CD2 . LEU A 425 ? 0.1775 0.2618 0.2434 -0.0246 0.0116 0.0002 425 LEU A CD2 3426 N N . LEU A 426 ? 0.1866 0.2635 0.2546 -0.0244 0.0216 -0.0053 426 LEU A N 3427 C CA . LEU A 426 ? 0.1930 0.2685 0.2589 -0.0245 0.0235 -0.0066 426 LEU A CA 3428 C C . LEU A 426 ? 0.1897 0.2613 0.2488 -0.0230 0.0260 -0.0066 426 LEU A C 3429 O O . LEU A 426 ? 0.1853 0.2566 0.2398 -0.0231 0.0259 -0.0072 426 LEU A O 3430 C CB . LEU A 426 ? 0.2078 0.2828 0.2803 -0.0248 0.0257 -0.0074 426 LEU A CB 3431 C CG . LEU A 426 ? 0.2328 0.3067 0.3035 -0.0250 0.0274 -0.0088 426 LEU A CG 3432 C CD1 . LEU A 426 ? 0.2238 0.3011 0.2931 -0.0264 0.0240 -0.0097 426 LEU A CD1 3433 C CD2 . LEU A 426 ? 0.2522 0.3244 0.3292 -0.0250 0.0307 -0.0095 426 LEU A CD2 3434 N N . LYS A 427 ? 0.1857 0.2543 0.2443 -0.0216 0.0283 -0.0060 427 LYS A N 3435 C CA . LYS A 427 ? 0.1839 0.2489 0.2357 -0.0200 0.0303 -0.0061 427 LYS A CA 3436 C C . LYS A 427 ? 0.1748 0.2410 0.2211 -0.0200 0.0274 -0.0060 427 LYS A C 3437 O O . LYS A 427 ? 0.1694 0.2340 0.2105 -0.0194 0.0280 -0.0065 427 LYS A O 3438 C CB . LYS A 427 ? 0.1923 0.2541 0.2441 -0.0185 0.0326 -0.0056 427 LYS A CB 3439 C CG . LYS A 427 ? 0.2092 0.2667 0.2539 -0.0165 0.0349 -0.0058 427 LYS A CG 3440 C CD . LYS A 427 ? 0.2303 0.2845 0.2746 -0.0149 0.0374 -0.0056 427 LYS A CD 3441 C CE . LYS A 427 ? 0.2520 0.3020 0.2882 -0.0128 0.0391 -0.0059 427 LYS A CE 3442 N NZ . LYS A 427 ? 0.2648 0.3162 0.2968 -0.0126 0.0356 -0.0062 427 LYS A NZ 3443 N N . MET A 428 ? 0.1725 0.2416 0.2205 -0.0207 0.0245 -0.0052 428 MET A N 3444 C CA . MET A 428 ? 0.1781 0.2485 0.2220 -0.0208 0.0220 -0.0050 428 MET A CA 3445 C C . MET A 428 ? 0.1728 0.2454 0.2150 -0.0220 0.0205 -0.0055 428 MET A C 3446 O O . MET A 428 ? 0.1680 0.2403 0.2056 -0.0218 0.0198 -0.0058 428 MET A O 3447 C CB . MET A 428 ? 0.1805 0.2533 0.2271 -0.0213 0.0195 -0.0038 428 MET A CB 3448 C CG . MET A 428 ? 0.1974 0.2680 0.2452 -0.0200 0.0208 -0.0034 428 MET A CG 3449 S SD . MET A 428 ? 0.2197 0.2858 0.2610 -0.0179 0.0228 -0.0044 428 MET A SD 3450 C CE . MET A 428 ? 0.2094 0.2775 0.2471 -0.0183 0.0198 -0.0043 428 MET A CE 3451 N N . ALA A 429 ? 0.1706 0.2453 0.2168 -0.0233 0.0201 -0.0059 429 ALA A N 3452 C CA . ALA A 429 ? 0.1716 0.2481 0.2162 -0.0244 0.0190 -0.0068 429 ALA A CA 3453 C C . ALA A 429 ? 0.1775 0.2513 0.2185 -0.0237 0.0214 -0.0079 429 ALA A C 3454 O O . ALA A 429 ? 0.1708 0.2452 0.2080 -0.0241 0.0205 -0.0084 429 ALA A O 3455 C CB . ALA A 429 ? 0.1667 0.2460 0.2166 -0.0257 0.0178 -0.0073 429 ALA A CB 3456 N N . LEU A 430 ? 0.1717 0.2423 0.2136 -0.0227 0.0245 -0.0081 430 LEU A N 3457 C CA . LEU A 430 ? 0.1823 0.2498 0.2207 -0.0218 0.0271 -0.0087 430 LEU A CA 3458 C C . LEU A 430 ? 0.1919 0.2578 0.2240 -0.0206 0.0266 -0.0085 430 LEU A C 3459 O O . LEU A 430 ? 0.1933 0.2580 0.2221 -0.0203 0.0273 -0.0091 430 LEU A O 3460 C CB . LEU A 430 ? 0.1795 0.2434 0.2197 -0.0206 0.0308 -0.0086 430 LEU A CB 3461 C CG . LEU A 430 ? 0.1785 0.2435 0.2259 -0.0216 0.0321 -0.0090 430 LEU A CG 3462 C CD1 . LEU A 430 ? 0.1784 0.2391 0.2266 -0.0200 0.0363 -0.0085 430 LEU A CD1 3463 C CD2 . LEU A 430 ? 0.1737 0.2404 0.2229 -0.0229 0.0318 -0.0103 430 LEU A CD2 3464 N N . GLU A 431 ? 0.2070 0.2728 0.2380 -0.0200 0.0254 -0.0078 431 GLU A N 3465 C CA . GLU A 431 ? 0.2313 0.2957 0.2572 -0.0188 0.0246 -0.0077 431 GLU A CA 3466 C C . GLU A 431 ? 0.2282 0.2958 0.2533 -0.0200 0.0217 -0.0078 431 GLU A C 3467 O O . GLU A 431 ? 0.2590 0.3259 0.2804 -0.0196 0.0213 -0.0082 431 GLU A O 3468 C CB . GLU A 431 ? 0.2476 0.3104 0.2735 -0.0176 0.0248 -0.0072 431 GLU A CB 3469 C CG . GLU A 431 ? 0.2938 0.3550 0.3150 -0.0162 0.0238 -0.0074 431 GLU A CG 3470 C CD . GLU A 431 ? 0.3186 0.3783 0.3400 -0.0150 0.0238 -0.0072 431 GLU A CD 3471 O OE1 . GLU A 431 ? 0.3362 0.3953 0.3607 -0.0149 0.0254 -0.0068 431 GLU A OE1 3472 O OE2 . GLU A 431 ? 0.3152 0.3744 0.3340 -0.0141 0.0224 -0.0076 431 GLU A OE2 3473 N N . LYS A 432 ? 0.2188 0.2897 0.2472 -0.0213 0.0197 -0.0071 432 LYS A N 3474 C CA . LYS A 432 ? 0.2152 0.2887 0.2425 -0.0222 0.0172 -0.0068 432 LYS A CA 3475 C C . LYS A 432 ? 0.2163 0.2924 0.2438 -0.0238 0.0162 -0.0073 432 LYS A C 3476 O O . LYS A 432 ? 0.2317 0.3085 0.2564 -0.0241 0.0155 -0.0076 432 LYS A O 3477 C CB . LYS A 432 ? 0.2204 0.2956 0.2505 -0.0224 0.0155 -0.0055 432 LYS A CB 3478 C CG . LYS A 432 ? 0.2199 0.2928 0.2500 -0.0210 0.0162 -0.0052 432 LYS A CG 3479 C CD . LYS A 432 ? 0.2154 0.2869 0.2418 -0.0200 0.0158 -0.0056 432 LYS A CD 3480 C CE . LYS A 432 ? 0.2158 0.2852 0.2424 -0.0185 0.0161 -0.0055 432 LYS A CE 3481 N NZ . LYS A 432 ? 0.2052 0.2728 0.2282 -0.0173 0.0157 -0.0064 432 LYS A NZ 3482 N N . ILE A 433 ? 0.1909 0.2686 0.2220 -0.0247 0.0162 -0.0075 433 ILE A N 3483 C CA . ILE A 433 ? 0.1855 0.2658 0.2169 -0.0262 0.0150 -0.0084 433 ILE A CA 3484 C C . ILE A 433 ? 0.1823 0.2610 0.2117 -0.0261 0.0168 -0.0098 433 ILE A C 3485 O O . ILE A 433 ? 0.1746 0.2545 0.2015 -0.0268 0.0161 -0.0106 433 ILE A O 3486 C CB . ILE A 433 ? 0.1892 0.2717 0.2256 -0.0271 0.0141 -0.0085 433 ILE A CB 3487 C CG1 . ILE A 433 ? 0.1964 0.2807 0.2350 -0.0272 0.0120 -0.0068 433 ILE A CG1 3488 C CG2 . ILE A 433 ? 0.1824 0.2674 0.2189 -0.0285 0.0128 -0.0098 433 ILE A CG2 3489 C CD1 . ILE A 433 ? 0.2092 0.2952 0.2447 -0.0274 0.0100 -0.0057 433 ILE A CD1 3490 N N . ALA A 434 ? 0.1720 0.2478 0.2021 -0.0252 0.0194 -0.0102 434 ALA A N 3491 C CA . ALA A 434 ? 0.1681 0.2420 0.1967 -0.0249 0.0214 -0.0114 434 ALA A CA 3492 C C . ALA A 434 ? 0.1620 0.2349 0.1858 -0.0243 0.0212 -0.0115 434 ALA A C 3493 O O . ALA A 434 ? 0.1680 0.2408 0.1905 -0.0248 0.0218 -0.0126 434 ALA A O 3494 C CB . ALA A 434 ? 0.1688 0.2392 0.1985 -0.0237 0.0245 -0.0113 434 ALA A CB 3495 N N . PHE A 435 ? 0.1586 0.2308 0.1801 -0.0234 0.0203 -0.0106 435 PHE A N 3496 C CA . PHE A 435 ? 0.1617 0.2330 0.1793 -0.0228 0.0199 -0.0107 435 PHE A CA 3497 C C . PHE A 435 ? 0.1627 0.2369 0.1796 -0.0242 0.0182 -0.0110 435 PHE A C 3498 O O . PHE A 435 ? 0.1649 0.2385 0.1795 -0.0240 0.0185 -0.0117 435 PHE A O 3499 C CB . PHE A 435 ? 0.1617 0.2316 0.1779 -0.0214 0.0193 -0.0099 435 PHE A CB 3500 C CG . PHE A 435 ? 0.1659 0.2349 0.1790 -0.0206 0.0186 -0.0102 435 PHE A CG 3501 C CD1 . PHE A 435 ? 0.1690 0.2349 0.1792 -0.0192 0.0199 -0.0108 435 PHE A CD1 3502 C CD2 . PHE A 435 ? 0.1634 0.2345 0.1766 -0.0213 0.0167 -0.0098 435 PHE A CD2 3503 C CE1 . PHE A 435 ? 0.1695 0.2349 0.1775 -0.0185 0.0190 -0.0112 435 PHE A CE1 3504 C CE2 . PHE A 435 ? 0.1673 0.2378 0.1786 -0.0207 0.0161 -0.0102 435 PHE A CE2 3505 C CZ . PHE A 435 ? 0.1676 0.2352 0.1765 -0.0193 0.0171 -0.0110 435 PHE A CZ 3506 N N . LEU A 436 ? 0.1630 0.2401 0.1817 -0.0254 0.0165 -0.0105 436 LEU A N 3507 C CA . LEU A 436 ? 0.1660 0.2457 0.1834 -0.0265 0.0149 -0.0105 436 LEU A CA 3508 C C . LEU A 436 ? 0.1687 0.2487 0.1843 -0.0272 0.0156 -0.0119 436 LEU A C 3509 O O . LEU A 436 ? 0.1695 0.2495 0.1829 -0.0271 0.0154 -0.0120 436 LEU A O 3510 C CB . LEU A 436 ? 0.1659 0.2487 0.1853 -0.0275 0.0131 -0.0097 436 LEU A CB 3511 C CG . LEU A 436 ? 0.1694 0.2523 0.1907 -0.0270 0.0121 -0.0080 436 LEU A CG 3512 C CD1 . LEU A 436 ? 0.1716 0.2573 0.1953 -0.0279 0.0103 -0.0072 436 LEU A CD1 3513 C CD2 . LEU A 436 ? 0.1739 0.2564 0.1936 -0.0263 0.0116 -0.0069 436 LEU A CD2 3514 N N . PRO A 437 ? 0.1660 0.2461 0.1829 -0.0278 0.0165 -0.0132 437 PRO A N 3515 C CA . PRO A 437 ? 0.1680 0.2482 0.1836 -0.0284 0.0173 -0.0148 437 PRO A CA 3516 C C . PRO A 437 ? 0.1699 0.2473 0.1834 -0.0272 0.0188 -0.0150 437 PRO A C 3517 O O . PRO A 437 ? 0.1672 0.2449 0.1790 -0.0276 0.0189 -0.0156 437 PRO A O 3518 C CB . PRO A 437 ? 0.1666 0.2469 0.1851 -0.0290 0.0183 -0.0161 437 PRO A CB 3519 C CG . PRO A 437 ? 0.1663 0.2454 0.1874 -0.0282 0.0188 -0.0151 437 PRO A CG 3520 C CD . PRO A 437 ? 0.1646 0.2450 0.1850 -0.0281 0.0168 -0.0135 437 PRO A CD 3521 N N . PHE A 438 ? 0.1730 0.2477 0.1867 -0.0258 0.0199 -0.0144 438 PHE A N 3522 C CA . PHE A 438 ? 0.1724 0.2444 0.1839 -0.0244 0.0209 -0.0145 438 PHE A CA 3523 C C . PHE A 438 ? 0.1761 0.2485 0.1860 -0.0240 0.0195 -0.0139 438 PHE A C 3524 O O . PHE A 438 ? 0.1845 0.2564 0.1930 -0.0238 0.0196 -0.0145 438 PHE A O 3525 C CB . PHE A 438 ? 0.1818 0.2506 0.1931 -0.0227 0.0224 -0.0139 438 PHE A CB 3526 C CG . PHE A 438 ? 0.1907 0.2564 0.1995 -0.0211 0.0236 -0.0141 438 PHE A CG 3527 C CD1 . PHE A 438 ? 0.1926 0.2575 0.2016 -0.0213 0.0252 -0.0150 438 PHE A CD1 3528 C CD2 . PHE A 438 ? 0.1898 0.2536 0.1963 -0.0194 0.0229 -0.0135 438 PHE A CD2 3529 C CE1 . PHE A 438 ? 0.1968 0.2590 0.2037 -0.0198 0.0261 -0.0150 438 PHE A CE1 3530 C CE2 . PHE A 438 ? 0.1965 0.2576 0.2006 -0.0178 0.0236 -0.0137 438 PHE A CE2 3531 C CZ . PHE A 438 ? 0.1952 0.2554 0.1993 -0.0179 0.0252 -0.0143 438 PHE A CZ 3532 N N . GLY A 439 ? 0.1695 0.2427 0.1798 -0.0238 0.0181 -0.0127 439 GLY A N 3533 C CA . GLY A 439 ? 0.1708 0.2445 0.1805 -0.0235 0.0168 -0.0121 439 GLY A CA 3534 C C . GLY A 439 ? 0.1833 0.2591 0.1926 -0.0248 0.0164 -0.0125 439 GLY A C 3535 O O . GLY A 439 ? 0.1809 0.2566 0.1898 -0.0244 0.0160 -0.0125 439 GLY A O 3536 N N . TYR A 440 ? 0.1806 0.2585 0.1902 -0.0263 0.0164 -0.0129 440 TYR A N 3537 C CA . TYR A 440 ? 0.1917 0.2717 0.2003 -0.0275 0.0162 -0.0134 440 TYR A CA 3538 C C . TYR A 440 ? 0.1938 0.2728 0.2016 -0.0277 0.0176 -0.0150 440 TYR A C 3539 O O . TYR A 440 ? 0.2060 0.2854 0.2129 -0.0280 0.0178 -0.0153 440 TYR A O 3540 C CB . TYR A 440 ? 0.2043 0.2869 0.2132 -0.0289 0.0153 -0.0133 440 TYR A CB 3541 C CG . TYR A 440 ? 0.2235 0.3083 0.2306 -0.0301 0.0149 -0.0136 440 TYR A CG 3542 C CD1 . TYR A 440 ? 0.2358 0.3207 0.2417 -0.0300 0.0151 -0.0129 440 TYR A CD1 3543 C CD2 . TYR A 440 ? 0.2336 0.3203 0.2401 -0.0313 0.0144 -0.0145 440 TYR A CD2 3544 C CE1 . TYR A 440 ? 0.2511 0.3376 0.2549 -0.0310 0.0151 -0.0130 440 TYR A CE1 3545 C CE2 . TYR A 440 ? 0.2497 0.3383 0.2538 -0.0322 0.0140 -0.0148 440 TYR A CE2 3546 C CZ . TYR A 440 ? 0.2527 0.3410 0.2552 -0.0321 0.0146 -0.0139 440 TYR A CZ 3547 O OH . TYR A 440 ? 0.2793 0.3691 0.2789 -0.0329 0.0146 -0.0141 440 TYR A OH 3548 N N . LEU A 441 ? 0.1879 0.2655 0.1963 -0.0274 0.0187 -0.0159 441 LEU A N 3549 C CA . LEU A 441 ? 0.1837 0.2607 0.1918 -0.0277 0.0202 -0.0175 441 LEU A CA 3550 C C . LEU A 441 ? 0.1841 0.2588 0.1916 -0.0265 0.0209 -0.0176 441 LEU A C 3551 O O . LEU A 441 ? 0.1953 0.2700 0.2026 -0.0269 0.0217 -0.0187 441 LEU A O 3552 C CB . LEU A 441 ? 0.1672 0.2436 0.1768 -0.0280 0.0214 -0.0185 441 LEU A CB 3553 C CG . LEU A 441 ? 0.1608 0.2342 0.1711 -0.0265 0.0227 -0.0180 441 LEU A CG 3554 C CD1 . LEU A 441 ? 0.1525 0.2234 0.1621 -0.0255 0.0242 -0.0186 441 LEU A CD1 3555 C CD2 . LEU A 441 ? 0.1507 0.2245 0.1634 -0.0272 0.0234 -0.0187 441 LEU A CD2 3556 N N . VAL A 442 ? 0.1782 0.2508 0.1853 -0.0248 0.0205 -0.0166 442 VAL A N 3557 C CA . VAL A 442 ? 0.1799 0.2501 0.1864 -0.0233 0.0208 -0.0168 442 VAL A CA 3558 C C . VAL A 442 ? 0.1791 0.2503 0.1860 -0.0237 0.0204 -0.0173 442 VAL A C 3559 O O . VAL A 442 ? 0.1762 0.2465 0.1833 -0.0235 0.0213 -0.0182 442 VAL A O 3560 C CB . VAL A 442 ? 0.1791 0.2470 0.1848 -0.0213 0.0201 -0.0159 442 VAL A CB 3561 C CG1 . VAL A 442 ? 0.1791 0.2447 0.1839 -0.0197 0.0200 -0.0162 442 VAL A CG1 3562 C CG2 . VAL A 442 ? 0.1769 0.2433 0.1823 -0.0207 0.0212 -0.0155 442 VAL A CG2 3563 N N . ASP A 443 ? 0.1841 0.2570 0.1913 -0.0243 0.0192 -0.0165 443 ASP A N 3564 C CA . ASP A 443 ? 0.1951 0.2688 0.2030 -0.0247 0.0191 -0.0168 443 ASP A CA 3565 C C . ASP A 443 ? 0.1990 0.2747 0.2066 -0.0265 0.0202 -0.0176 443 ASP A C 3566 O O . ASP A 443 ? 0.2015 0.2775 0.2098 -0.0268 0.0209 -0.0182 443 ASP A O 3567 C CB . ASP A 443 ? 0.1989 0.2734 0.2079 -0.0244 0.0178 -0.0157 443 ASP A CB 3568 C CG . ASP A 443 ? 0.2013 0.2736 0.2111 -0.0225 0.0167 -0.0156 443 ASP A CG 3569 O OD1 . ASP A 443 ? 0.1956 0.2657 0.2046 -0.0212 0.0169 -0.0163 443 ASP A OD1 3570 O OD2 . ASP A 443 ? 0.2075 0.2803 0.2188 -0.0221 0.0155 -0.0150 443 ASP A OD2 3571 N N . GLN A 444 ? 0.2014 0.2785 0.2082 -0.0276 0.0205 -0.0179 444 GLN A N 3572 C CA . GLN A 444 ? 0.2112 0.2897 0.2172 -0.0291 0.0216 -0.0192 444 GLN A CA 3573 C C . GLN A 444 ? 0.2089 0.2857 0.2158 -0.0287 0.0230 -0.0207 444 GLN A C 3574 O O . GLN A 444 ? 0.2057 0.2828 0.2128 -0.0294 0.0241 -0.0216 444 GLN A O 3575 C CB . GLN A 444 ? 0.2193 0.2994 0.2246 -0.0302 0.0213 -0.0196 444 GLN A CB 3576 C CG . GLN A 444 ? 0.2492 0.3313 0.2535 -0.0308 0.0198 -0.0182 444 GLN A CG 3577 C CD . GLN A 444 ? 0.2776 0.3617 0.2810 -0.0320 0.0193 -0.0191 444 GLN A CD 3578 O OE1 . GLN A 444 ? 0.3038 0.3888 0.3062 -0.0330 0.0201 -0.0207 444 GLN A OE1 3579 N NE2 . GLN A 444 ? 0.2610 0.3460 0.2650 -0.0319 0.0179 -0.0181 444 GLN A NE2 3580 N N . TRP A 445 ? 0.2063 0.2812 0.2138 -0.0276 0.0233 -0.0207 445 TRP A N 3581 C CA . TRP A 445 ? 0.2051 0.2780 0.2135 -0.0270 0.0247 -0.0217 445 TRP A CA 3582 C C . TRP A 445 ? 0.2016 0.2735 0.2107 -0.0261 0.0246 -0.0217 445 TRP A C 3583 O O . TRP A 445 ? 0.2031 0.2749 0.2132 -0.0266 0.0257 -0.0228 445 TRP A O 3584 C CB . TRP A 445 ? 0.2078 0.2783 0.2163 -0.0257 0.0252 -0.0213 445 TRP A CB 3585 C CG . TRP A 445 ? 0.2133 0.2817 0.2227 -0.0249 0.0267 -0.0220 445 TRP A CG 3586 C CD1 . TRP A 445 ? 0.2166 0.2850 0.2273 -0.0257 0.0284 -0.0234 445 TRP A CD1 3587 C CD2 . TRP A 445 ? 0.2204 0.2864 0.2296 -0.0230 0.0264 -0.0215 445 TRP A CD2 3588 N NE1 . TRP A 445 ? 0.2156 0.2816 0.2271 -0.0245 0.0295 -0.0235 445 TRP A NE1 3589 C CE2 . TRP A 445 ? 0.2185 0.2831 0.2289 -0.0227 0.0281 -0.0223 445 TRP A CE2 3590 C CE3 . TRP A 445 ? 0.2144 0.2793 0.2228 -0.0214 0.0247 -0.0205 445 TRP A CE3 3591 C CZ2 . TRP A 445 ? 0.2238 0.2859 0.2343 -0.0209 0.0282 -0.0219 445 TRP A CZ2 3592 C CZ3 . TRP A 445 ? 0.2300 0.2925 0.2384 -0.0196 0.0245 -0.0204 445 TRP A CZ3 3593 C CH2 . TRP A 445 ? 0.2280 0.2891 0.2373 -0.0193 0.0262 -0.0210 445 TRP A CH2 3594 N N . ARG A 446 ? 0.1918 0.2630 0.2008 -0.0249 0.0231 -0.0205 446 ARG A N 3595 C CA . ARG A 446 ? 0.1955 0.2657 0.2058 -0.0238 0.0225 -0.0205 446 ARG A CA 3596 C C . ARG A 446 ? 0.1930 0.2650 0.2047 -0.0250 0.0229 -0.0209 446 ARG A C 3597 O O . ARG A 446 ? 0.1851 0.2565 0.1987 -0.0248 0.0234 -0.0216 446 ARG A O 3598 C CB . ARG A 446 ? 0.2037 0.2727 0.2137 -0.0222 0.0206 -0.0194 446 ARG A CB 3599 C CG . ARG A 446 ? 0.2181 0.2853 0.2294 -0.0204 0.0196 -0.0196 446 ARG A CG 3600 C CD . ARG A 446 ? 0.2130 0.2780 0.2227 -0.0183 0.0181 -0.0189 446 ARG A CD 3601 N NE . ARG A 446 ? 0.2063 0.2719 0.2149 -0.0184 0.0173 -0.0180 446 ARG A NE 3602 C CZ . ARG A 446 ? 0.2039 0.2679 0.2115 -0.0166 0.0159 -0.0176 446 ARG A CZ 3603 N NH1 . ARG A 446 ? 0.2021 0.2638 0.2091 -0.0146 0.0147 -0.0180 446 ARG A NH1 3604 N NH2 . ARG A 446 ? 0.1995 0.2641 0.2064 -0.0169 0.0154 -0.0168 446 ARG A NH2 3605 N N . TRP A 447 ? 0.1969 0.2711 0.2077 -0.0263 0.0228 -0.0203 447 TRP A N 3606 C CA . TRP A 447 ? 0.2019 0.2777 0.2133 -0.0276 0.0237 -0.0205 447 TRP A CA 3607 C C . TRP A 447 ? 0.2073 0.2833 0.2187 -0.0286 0.0257 -0.0222 447 TRP A C 3608 O O . TRP A 447 ? 0.2209 0.2970 0.2338 -0.0290 0.0268 -0.0228 447 TRP A O 3609 C CB . TRP A 447 ? 0.1973 0.2751 0.2069 -0.0287 0.0233 -0.0194 447 TRP A CB 3610 C CG . TRP A 447 ? 0.1935 0.2713 0.2037 -0.0278 0.0216 -0.0177 447 TRP A CG 3611 C CD1 . TRP A 447 ? 0.1912 0.2676 0.2037 -0.0264 0.0205 -0.0173 447 TRP A CD1 3612 C CD2 . TRP A 447 ? 0.1963 0.2756 0.2052 -0.0284 0.0208 -0.0164 447 TRP A CD2 3613 N NE1 . TRP A 447 ? 0.1893 0.2664 0.2021 -0.0261 0.0192 -0.0159 447 TRP A NE1 3614 C CE2 . TRP A 447 ? 0.1964 0.2752 0.2071 -0.0273 0.0194 -0.0152 447 TRP A CE2 3615 C CE3 . TRP A 447 ? 0.1997 0.2808 0.2061 -0.0296 0.0209 -0.0162 447 TRP A CE3 3616 C CZ2 . TRP A 447 ? 0.1951 0.2750 0.2054 -0.0274 0.0183 -0.0136 447 TRP A CZ2 3617 C CZ3 . TRP A 447 ? 0.2029 0.2851 0.2089 -0.0296 0.0196 -0.0145 447 TRP A CZ3 3618 C CH2 . TRP A 447 ? 0.1954 0.2770 0.2035 -0.0286 0.0185 -0.0132 447 TRP A CH2 3619 N N . GLY A 448 ? 0.2136 0.2896 0.2237 -0.0291 0.0262 -0.0231 448 GLY A N 3620 C CA . GLY A 448 ? 0.2169 0.2930 0.2273 -0.0301 0.0281 -0.0250 448 GLY A CA 3621 C C . GLY A 448 ? 0.2202 0.2943 0.2332 -0.0291 0.0289 -0.0256 448 GLY A C 3622 O O . GLY A 448 ? 0.2266 0.3008 0.2409 -0.0297 0.0305 -0.0270 448 GLY A O 3623 N N . VAL A 449 ? 0.2128 0.2849 0.2264 -0.0273 0.0277 -0.0247 449 VAL A N 3624 C CA . VAL A 449 ? 0.2058 0.2759 0.2217 -0.0259 0.0279 -0.0251 449 VAL A CA 3625 C C . VAL A 449 ? 0.2125 0.2827 0.2308 -0.0256 0.0275 -0.0251 449 VAL A C 3626 O O . VAL A 449 ? 0.2070 0.2767 0.2279 -0.0256 0.0286 -0.0260 449 VAL A O 3627 C CB . VAL A 449 ? 0.2052 0.2730 0.2203 -0.0239 0.0266 -0.0240 449 VAL A CB 3628 C CG1 . VAL A 449 ? 0.1960 0.2616 0.2130 -0.0221 0.0263 -0.0241 449 VAL A CG1 3629 C CG2 . VAL A 449 ? 0.2018 0.2691 0.2155 -0.0241 0.0276 -0.0241 449 VAL A CG2 3630 N N . PHE A 450 ? 0.2087 0.2798 0.2269 -0.0254 0.0261 -0.0240 450 PHE A N 3631 C CA . PHE A 450 ? 0.2093 0.2806 0.2306 -0.0252 0.0259 -0.0239 450 PHE A CA 3632 C C . PHE A 450 ? 0.2149 0.2877 0.2371 -0.0270 0.0282 -0.0248 450 PHE A C 3633 O O . PHE A 450 ? 0.2116 0.2841 0.2371 -0.0269 0.0289 -0.0254 450 PHE A O 3634 C CB . PHE A 450 ? 0.2120 0.2840 0.2332 -0.0248 0.0241 -0.0226 450 PHE A CB 3635 C CG . PHE A 450 ? 0.2143 0.2845 0.2358 -0.0227 0.0217 -0.0221 450 PHE A CG 3636 C CD1 . PHE A 450 ? 0.2179 0.2863 0.2416 -0.0211 0.0209 -0.0227 450 PHE A CD1 3637 C CD2 . PHE A 450 ? 0.2160 0.2863 0.2354 -0.0223 0.0203 -0.0210 450 PHE A CD2 3638 C CE1 . PHE A 450 ? 0.2212 0.2879 0.2445 -0.0190 0.0185 -0.0224 450 PHE A CE1 3639 C CE2 . PHE A 450 ? 0.2183 0.2869 0.2376 -0.0203 0.0182 -0.0207 450 PHE A CE2 3640 C CZ . PHE A 450 ? 0.2209 0.2877 0.2417 -0.0186 0.0172 -0.0214 450 PHE A CZ 3641 N N . SER A 451 ? 0.2069 0.2811 0.2259 -0.0285 0.0292 -0.0249 451 SER A N 3642 C CA . SER A 451 ? 0.2283 0.3039 0.2471 -0.0301 0.0315 -0.0258 451 SER A CA 3643 C C . SER A 451 ? 0.2325 0.3076 0.2523 -0.0307 0.0335 -0.0277 451 SER A C 3644 O O . SER A 451 ? 0.2355 0.3111 0.2556 -0.0318 0.0356 -0.0287 451 SER A O 3645 C CB . SER A 451 ? 0.2223 0.2996 0.2369 -0.0313 0.0316 -0.0252 451 SER A CB 3646 O OG . SER A 451 ? 0.2288 0.3064 0.2412 -0.0319 0.0317 -0.0263 451 SER A OG 3647 N N . GLY A 452 ? 0.2430 0.3168 0.2631 -0.0299 0.0330 -0.0282 452 GLY A N 3648 C CA . GLY A 452 ? 0.2425 0.3157 0.2639 -0.0304 0.0348 -0.0300 452 GLY A CA 3649 C C . GLY A 452 ? 0.2542 0.3284 0.2728 -0.0318 0.0359 -0.0313 452 GLY A C 3650 O O . GLY A 452 ? 0.2485 0.3223 0.2685 -0.0323 0.0374 -0.0330 452 GLY A O 3651 N N . ARG A 453 ? 0.2630 0.3387 0.2783 -0.0325 0.0349 -0.0306 453 ARG A N 3652 C CA . ARG A 453 ? 0.2923 0.3691 0.3054 -0.0337 0.0353 -0.0320 453 ARG A CA 3653 C C . ARG A 453 ? 0.2684 0.3437 0.2829 -0.0329 0.0351 -0.0323 453 ARG A C 3654 O O . ARG A 453 ? 0.2647 0.3403 0.2795 -0.0338 0.0362 -0.0341 453 ARG A O 3655 C CB . ARG A 453 ? 0.3358 0.4144 0.3452 -0.0343 0.0339 -0.0311 453 ARG A CB 3656 C CG . ARG A 453 ? 0.4231 0.5032 0.4301 -0.0355 0.0350 -0.0315 453 ARG A CG 3657 C CD . ARG A 453 ? 0.4976 0.5796 0.5005 -0.0363 0.0337 -0.0311 453 ARG A CD 3658 N NE . ARG A 453 ? 0.5594 0.6427 0.5591 -0.0375 0.0351 -0.0324 453 ARG A NE 3659 C CZ . ARG A 453 ? 0.5770 0.6612 0.5749 -0.0386 0.0355 -0.0348 453 ARG A CZ 3660 N NH1 . ARG A 453 ? 0.5839 0.6680 0.5835 -0.0387 0.0348 -0.0361 453 ARG A NH1 3661 N NH2 . ARG A 453 ? 0.5926 0.6779 0.5870 -0.0395 0.0367 -0.0359 453 ARG A NH2 3662 N N . THR A 454 ? 0.2493 0.3231 0.2647 -0.0313 0.0338 -0.0306 454 THR A N 3663 C CA . THR A 454 ? 0.2305 0.3024 0.2471 -0.0301 0.0338 -0.0303 454 THR A CA 3664 C C . THR A 454 ? 0.2239 0.2935 0.2431 -0.0286 0.0341 -0.0300 454 THR A C 3665 O O . THR A 454 ? 0.2111 0.2795 0.2301 -0.0270 0.0325 -0.0284 454 THR A O 3666 C CB . THR A 454 ? 0.2231 0.2946 0.2378 -0.0292 0.0320 -0.0286 454 THR A CB 3667 O OG1 . THR A 454 ? 0.2195 0.2932 0.2323 -0.0307 0.0315 -0.0289 454 THR A OG1 3668 C CG2 . THR A 454 ? 0.2227 0.2920 0.2384 -0.0280 0.0324 -0.0282 454 THR A CG2 3669 N N . PRO A 455 ? 0.2231 0.2921 0.2447 -0.0290 0.0360 -0.0315 455 PRO A N 3670 C CA . PRO A 455 ? 0.2207 0.2875 0.2450 -0.0274 0.0363 -0.0312 455 PRO A CA 3671 C C . PRO A 455 ? 0.2172 0.2817 0.2413 -0.0257 0.0360 -0.0300 455 PRO A C 3672 O O . PRO A 455 ? 0.2262 0.2909 0.2487 -0.0261 0.0361 -0.0298 455 PRO A O 3673 C CB . PRO A 455 ? 0.2192 0.2863 0.2462 -0.0287 0.0388 -0.0334 455 PRO A CB 3674 C CG . PRO A 455 ? 0.2241 0.2928 0.2497 -0.0304 0.0397 -0.0348 455 PRO A CG 3675 C CD . PRO A 455 ? 0.2173 0.2877 0.2393 -0.0309 0.0379 -0.0338 455 PRO A CD 3676 N N . PRO A 456 ? 0.2193 0.2815 0.2449 -0.0237 0.0357 -0.0291 456 PRO A N 3677 C CA . PRO A 456 ? 0.2247 0.2842 0.2494 -0.0219 0.0357 -0.0278 456 PRO A CA 3678 C C . PRO A 456 ? 0.2313 0.2904 0.2571 -0.0228 0.0381 -0.0286 456 PRO A C 3679 O O . PRO A 456 ? 0.2343 0.2919 0.2587 -0.0218 0.0383 -0.0275 456 PRO A O 3680 C CB . PRO A 456 ? 0.2259 0.2832 0.2526 -0.0200 0.0353 -0.0273 456 PRO A CB 3681 C CG . PRO A 456 ? 0.2201 0.2788 0.2479 -0.0203 0.0338 -0.0277 456 PRO A CG 3682 C CD . PRO A 456 ? 0.2145 0.2762 0.2422 -0.0229 0.0349 -0.0291 456 PRO A CD 3683 N N . SER A 457 ? 0.2318 0.2922 0.2603 -0.0245 0.0400 -0.0307 457 SER A N 3684 C CA . SER A 457 ? 0.2356 0.2960 0.2660 -0.0256 0.0422 -0.0319 457 SER A CA 3685 C C . SER A 457 ? 0.2275 0.2895 0.2560 -0.0268 0.0419 -0.0323 457 SER A C 3686 O O . SER A 457 ? 0.2328 0.2944 0.2631 -0.0273 0.0434 -0.0330 457 SER A O 3687 C CB . SER A 457 ? 0.2446 0.3062 0.2781 -0.0273 0.0441 -0.0345 457 SER A CB 3688 O OG . SER A 457 ? 0.2410 0.3056 0.2729 -0.0293 0.0436 -0.0360 457 SER A OG 3689 N N . ARG A 458 ? 0.2195 0.2832 0.2449 -0.0272 0.0398 -0.0317 458 ARG A N 3690 C CA . ARG A 458 ? 0.2093 0.2747 0.2331 -0.0283 0.0391 -0.0319 458 ARG A CA 3691 C C . ARG A 458 ? 0.2058 0.2707 0.2267 -0.0270 0.0371 -0.0296 458 ARG A C 3692 O O . ARG A 458 ? 0.2049 0.2715 0.2244 -0.0279 0.0362 -0.0296 458 ARG A O 3693 C CB . ARG A 458 ? 0.2150 0.2836 0.2379 -0.0305 0.0387 -0.0338 458 ARG A CB 3694 C CG . ARG A 458 ? 0.2191 0.2886 0.2446 -0.0321 0.0407 -0.0365 458 ARG A CG 3695 C CD . ARG A 458 ? 0.2336 0.3061 0.2571 -0.0341 0.0401 -0.0384 458 ARG A CD 3696 N NE . ARG A 458 ? 0.2380 0.3116 0.2594 -0.0345 0.0397 -0.0383 458 ARG A NE 3697 C CZ . ARG A 458 ? 0.2467 0.3201 0.2694 -0.0350 0.0412 -0.0397 458 ARG A CZ 3698 N NH1 . ARG A 458 ? 0.2513 0.3237 0.2776 -0.0351 0.0433 -0.0413 458 ARG A NH1 3699 N NH2 . ARG A 458 ? 0.2437 0.3181 0.2647 -0.0353 0.0410 -0.0395 458 ARG A NH2 3700 N N . TYR A 459 ? 0.2035 0.2661 0.2235 -0.0249 0.0364 -0.0278 459 TYR A N 3701 C CA . TYR A 459 ? 0.2012 0.2629 0.2184 -0.0235 0.0346 -0.0258 459 TYR A CA 3702 C C . TYR A 459 ? 0.1994 0.2609 0.2161 -0.0236 0.0351 -0.0253 459 TYR A C 3703 O O . TYR A 459 ? 0.1994 0.2623 0.2145 -0.0241 0.0337 -0.0248 459 TYR A O 3704 C CB . TYR A 459 ? 0.2004 0.2589 0.2167 -0.0209 0.0341 -0.0242 459 TYR A CB 3705 C CG . TYR A 459 ? 0.2027 0.2614 0.2189 -0.0201 0.0324 -0.0241 459 TYR A CG 3706 C CD1 . TYR A 459 ? 0.2004 0.2617 0.2178 -0.0218 0.0320 -0.0253 459 TYR A CD1 3707 C CD2 . TYR A 459 ? 0.2040 0.2601 0.2192 -0.0176 0.0312 -0.0228 459 TYR A CD2 3708 C CE1 . TYR A 459 ? 0.2032 0.2646 0.2215 -0.0211 0.0306 -0.0252 459 TYR A CE1 3709 C CE2 . TYR A 459 ? 0.2080 0.2643 0.2240 -0.0168 0.0294 -0.0229 459 TYR A CE2 3710 C CZ . TYR A 459 ? 0.2041 0.2629 0.2220 -0.0186 0.0292 -0.0241 459 TYR A CZ 3711 O OH . TYR A 459 ? 0.2095 0.2684 0.2290 -0.0179 0.0276 -0.0242 459 TYR A OH 3712 N N . ASN A 460 ? 0.1949 0.2545 0.2134 -0.0232 0.0373 -0.0254 460 ASN A N 3713 C CA . ASN A 460 ? 0.1928 0.2518 0.2116 -0.0231 0.0381 -0.0249 460 ASN A CA 3714 C C . ASN A 460 ? 0.1912 0.2531 0.2122 -0.0255 0.0384 -0.0268 460 ASN A C 3715 O O . ASN A 460 ? 0.1819 0.2447 0.2026 -0.0259 0.0377 -0.0264 460 ASN A O 3716 C CB . ASN A 460 ? 0.1957 0.2513 0.2158 -0.0215 0.0405 -0.0238 460 ASN A CB 3717 C CG . ASN A 460 ? 0.2036 0.2569 0.2215 -0.0198 0.0407 -0.0218 460 ASN A CG 3718 O OD1 . ASN A 460 ? 0.2125 0.2655 0.2270 -0.0187 0.0387 -0.0206 460 ASN A OD1 3719 N ND2 . ASN A 460 ? 0.2039 0.2556 0.2240 -0.0195 0.0432 -0.0214 460 ASN A ND2 3720 N N . PHE A 461 ? 0.1893 0.2527 0.2126 -0.0270 0.0393 -0.0289 461 PHE A N 3721 C CA . PHE A 461 ? 0.1888 0.2550 0.2138 -0.0293 0.0392 -0.0312 461 PHE A CA 3722 C C . PHE A 461 ? 0.1859 0.2548 0.2080 -0.0301 0.0366 -0.0310 461 PHE A C 3723 O O . PHE A 461 ? 0.1830 0.2536 0.2058 -0.0310 0.0359 -0.0314 461 PHE A O 3724 C CB . PHE A 461 ? 0.1921 0.2592 0.2193 -0.0305 0.0405 -0.0336 461 PHE A CB 3725 C CG . PHE A 461 ? 0.1912 0.2613 0.2191 -0.0327 0.0401 -0.0363 461 PHE A CG 3726 C CD1 . PHE A 461 ? 0.1951 0.2661 0.2263 -0.0337 0.0407 -0.0380 461 PHE A CD1 3727 C CD2 . PHE A 461 ? 0.1951 0.2672 0.2208 -0.0338 0.0391 -0.0374 461 PHE A CD2 3728 C CE1 . PHE A 461 ? 0.1971 0.2710 0.2288 -0.0357 0.0400 -0.0409 461 PHE A CE1 3729 C CE2 . PHE A 461 ? 0.2020 0.2768 0.2276 -0.0357 0.0388 -0.0401 461 PHE A CE2 3730 C CZ . PHE A 461 ? 0.1939 0.2697 0.2224 -0.0366 0.0390 -0.0419 461 PHE A CZ 3731 N N . ASP A 462 ? 0.1839 0.2532 0.2033 -0.0298 0.0353 -0.0301 462 ASP A N 3732 C CA . ASP A 462 ? 0.1885 0.2602 0.2053 -0.0305 0.0331 -0.0296 462 ASP A CA 3733 C C . ASP A 462 ? 0.1863 0.2572 0.2017 -0.0293 0.0318 -0.0275 462 ASP A C 3734 O O . ASP A 462 ? 0.1822 0.2551 0.1967 -0.0301 0.0303 -0.0272 462 ASP A O 3735 C CB . ASP A 462 ? 0.1914 0.2637 0.2065 -0.0305 0.0325 -0.0296 462 ASP A CB 3736 C CG . ASP A 462 ? 0.2033 0.2772 0.2190 -0.0322 0.0335 -0.0319 462 ASP A CG 3737 O OD1 . ASP A 462 ? 0.2223 0.2969 0.2397 -0.0332 0.0345 -0.0338 462 ASP A OD1 3738 O OD2 . ASP A 462 ? 0.2116 0.2860 0.2264 -0.0324 0.0335 -0.0320 462 ASP A OD2 3739 N N . TRP A 463 ? 0.1846 0.2527 0.1999 -0.0274 0.0324 -0.0259 463 TRP A N 3740 C CA . TRP A 463 ? 0.1819 0.2488 0.1960 -0.0262 0.0316 -0.0241 463 TRP A CA 3741 C C . TRP A 463 ? 0.1775 0.2452 0.1937 -0.0270 0.0322 -0.0246 463 TRP A C 3742 O O . TRP A 463 ? 0.1700 0.2392 0.1857 -0.0275 0.0307 -0.0240 463 TRP A O 3743 C CB . TRP A 463 ? 0.1823 0.2456 0.1955 -0.0238 0.0325 -0.0227 463 TRP A CB 3744 C CG . TRP A 463 ? 0.1845 0.2460 0.1962 -0.0223 0.0322 -0.0209 463 TRP A CG 3745 C CD1 . TRP A 463 ? 0.1882 0.2473 0.2006 -0.0213 0.0341 -0.0202 463 TRP A CD1 3746 C CD2 . TRP A 463 ? 0.1891 0.2508 0.1985 -0.0216 0.0302 -0.0197 463 TRP A CD2 3747 N NE1 . TRP A 463 ? 0.1861 0.2439 0.1965 -0.0200 0.0335 -0.0186 463 TRP A NE1 3748 C CE2 . TRP A 463 ? 0.1876 0.2471 0.1962 -0.0202 0.0309 -0.0184 463 TRP A CE2 3749 C CE3 . TRP A 463 ? 0.1853 0.2489 0.1936 -0.0220 0.0280 -0.0196 463 TRP A CE3 3750 C CZ2 . TRP A 463 ? 0.1896 0.2486 0.1961 -0.0191 0.0295 -0.0172 463 TRP A CZ2 3751 C CZ3 . TRP A 463 ? 0.1875 0.2507 0.1941 -0.0210 0.0265 -0.0183 463 TRP A CZ3 3752 C CH2 . TRP A 463 ? 0.1915 0.2525 0.1973 -0.0196 0.0271 -0.0172 463 TRP A CH2 3753 N N . TRP A 464 ? 0.1772 0.2439 0.1962 -0.0273 0.0343 -0.0256 464 TRP A N 3754 C CA . TRP A 464 ? 0.1804 0.2477 0.2023 -0.0281 0.0350 -0.0263 464 TRP A CA 3755 C C . TRP A 464 ? 0.1812 0.2523 0.2042 -0.0302 0.0334 -0.0281 464 TRP A C 3756 O O . TRP A 464 ? 0.1878 0.2600 0.2127 -0.0308 0.0329 -0.0283 464 TRP A O 3757 C CB . TRP A 464 ? 0.1804 0.2453 0.2057 -0.0275 0.0379 -0.0267 464 TRP A CB 3758 C CG . TRP A 464 ? 0.1847 0.2460 0.2085 -0.0252 0.0392 -0.0243 464 TRP A CG 3759 C CD1 . TRP A 464 ? 0.1842 0.2424 0.2062 -0.0234 0.0404 -0.0231 464 TRP A CD1 3760 C CD2 . TRP A 464 ? 0.1791 0.2391 0.2023 -0.0242 0.0393 -0.0227 464 TRP A CD2 3761 N NE1 . TRP A 464 ? 0.1804 0.2356 0.2003 -0.0213 0.0411 -0.0209 464 TRP A NE1 3762 C CE2 . TRP A 464 ? 0.1823 0.2386 0.2031 -0.0218 0.0407 -0.0207 464 TRP A CE2 3763 C CE3 . TRP A 464 ? 0.1820 0.2439 0.2068 -0.0251 0.0384 -0.0227 464 TRP A CE3 3764 C CZ2 . TRP A 464 ? 0.1791 0.2331 0.1984 -0.0203 0.0414 -0.0188 464 TRP A CZ2 3765 C CZ3 . TRP A 464 ? 0.1797 0.2395 0.2039 -0.0237 0.0391 -0.0209 464 TRP A CZ3 3766 C CH2 . TRP A 464 ? 0.1795 0.2353 0.2007 -0.0213 0.0407 -0.0190 464 TRP A CH2 3767 N N . TYR A 465 ? 0.1838 0.2566 0.2055 -0.0313 0.0328 -0.0296 465 TYR A N 3768 C CA . TYR A 465 ? 0.1840 0.2602 0.2052 -0.0330 0.0310 -0.0311 465 TYR A CA 3769 C C . TYR A 465 ? 0.1775 0.2550 0.1965 -0.0328 0.0287 -0.0293 465 TYR A C 3770 O O . TYR A 465 ? 0.1733 0.2526 0.1935 -0.0336 0.0274 -0.0298 465 TYR A O 3771 C CB . TYR A 465 ? 0.1896 0.2672 0.2089 -0.0340 0.0308 -0.0326 465 TYR A CB 3772 C CG . TYR A 465 ? 0.2019 0.2827 0.2192 -0.0354 0.0287 -0.0336 465 TYR A CG 3773 C CD1 . TYR A 465 ? 0.2093 0.2920 0.2285 -0.0368 0.0284 -0.0362 465 TYR A CD1 3774 C CD2 . TYR A 465 ? 0.2082 0.2902 0.2220 -0.0353 0.0270 -0.0320 465 TYR A CD2 3775 C CE1 . TYR A 465 ? 0.2164 0.3020 0.2333 -0.0379 0.0263 -0.0371 465 TYR A CE1 3776 C CE2 . TYR A 465 ? 0.2183 0.3030 0.2298 -0.0364 0.0251 -0.0326 465 TYR A CE2 3777 C CZ . TYR A 465 ? 0.2195 0.3060 0.2323 -0.0376 0.0247 -0.0352 465 TYR A CZ 3778 O OH . TYR A 465 ? 0.2251 0.3142 0.2352 -0.0385 0.0226 -0.0358 465 TYR A OH 3779 N N . LEU A 466 ? 0.1718 0.2481 0.1880 -0.0317 0.0281 -0.0274 466 LEU A N 3780 C CA . LEU A 466 ? 0.1752 0.2526 0.1897 -0.0314 0.0261 -0.0256 466 LEU A CA 3781 C C . LEU A 466 ? 0.1743 0.2506 0.1905 -0.0306 0.0262 -0.0244 466 LEU A C 3782 O O . LEU A 466 ? 0.1769 0.2549 0.1932 -0.0310 0.0245 -0.0238 466 LEU A O 3783 C CB . LEU A 466 ? 0.1726 0.2489 0.1844 -0.0303 0.0257 -0.0241 466 LEU A CB 3784 C CG . LEU A 466 ? 0.1742 0.2520 0.1844 -0.0312 0.0255 -0.0250 466 LEU A CG 3785 C CD1 . LEU A 466 ? 0.1742 0.2505 0.1833 -0.0301 0.0255 -0.0239 466 LEU A CD1 3786 C CD2 . LEU A 466 ? 0.1783 0.2590 0.1869 -0.0325 0.0238 -0.0250 466 LEU A CD2 3787 N N . ARG A 467 ? 0.1765 0.2499 0.1941 -0.0294 0.0281 -0.0240 467 ARG A N 3788 C CA . ARG A 467 ? 0.1790 0.2509 0.1981 -0.0284 0.0288 -0.0228 467 ARG A CA 3789 C C . ARG A 467 ? 0.1783 0.2521 0.2012 -0.0297 0.0287 -0.0240 467 ARG A C 3790 O O . ARG A 467 ? 0.1778 0.2522 0.2018 -0.0297 0.0278 -0.0232 467 ARG A O 3791 C CB . ARG A 467 ? 0.1828 0.2509 0.2020 -0.0267 0.0313 -0.0221 467 ARG A CB 3792 C CG . ARG A 467 ? 0.1870 0.2531 0.2026 -0.0250 0.0309 -0.0207 467 ARG A CG 3793 C CD . ARG A 467 ? 0.1904 0.2548 0.2044 -0.0235 0.0305 -0.0188 467 ARG A CD 3794 N NE . ARG A 467 ? 0.1964 0.2571 0.2102 -0.0217 0.0329 -0.0179 467 ARG A NE 3795 C CZ . ARG A 467 ? 0.2014 0.2599 0.2141 -0.0203 0.0336 -0.0165 467 ARG A CZ 3796 N NH1 . ARG A 467 ? 0.1994 0.2593 0.2117 -0.0205 0.0318 -0.0159 467 ARG A NH1 3797 N NH2 . ARG A 467 ? 0.2011 0.2561 0.2134 -0.0186 0.0361 -0.0157 467 ARG A NH2 3798 N N . THR A 468 ? 0.1774 0.2522 0.2026 -0.0309 0.0294 -0.0262 468 THR A N 3799 C CA . THR A 468 ? 0.1784 0.2552 0.2076 -0.0323 0.0289 -0.0279 468 THR A CA 3800 C C . THR A 468 ? 0.1790 0.2595 0.2067 -0.0335 0.0258 -0.0285 468 THR A C 3801 O O . THR A 468 ? 0.1816 0.2636 0.2117 -0.0340 0.0244 -0.0285 468 THR A O 3802 C CB . THR A 468 ? 0.1857 0.2625 0.2181 -0.0332 0.0307 -0.0304 468 THR A CB 3803 O OG1 . THR A 468 ? 0.1981 0.2713 0.2319 -0.0318 0.0337 -0.0295 468 THR A OG1 3804 C CG2 . THR A 468 ? 0.1889 0.2679 0.2264 -0.0345 0.0300 -0.0325 468 THR A CG2 3805 N N . LYS A 469 ? 0.1745 0.2562 0.1983 -0.0340 0.0247 -0.0288 469 LYS A N 3806 C CA . LYS A 469 ? 0.1753 0.2602 0.1969 -0.0350 0.0219 -0.0290 469 LYS A CA 3807 C C . LYS A 469 ? 0.1745 0.2599 0.1956 -0.0344 0.0202 -0.0267 469 LYS A C 3808 O O . LYS A 469 ? 0.1635 0.2512 0.1855 -0.0351 0.0181 -0.0269 469 LYS A O 3809 C CB . LYS A 469 ? 0.1791 0.2646 0.1963 -0.0353 0.0216 -0.0291 469 LYS A CB 3810 C CG . LYS A 469 ? 0.1866 0.2748 0.2007 -0.0359 0.0191 -0.0286 469 LYS A CG 3811 C CD . LYS A 469 ? 0.1896 0.2780 0.1995 -0.0361 0.0193 -0.0285 469 LYS A CD 3812 C CE . LYS A 469 ? 0.1982 0.2892 0.2048 -0.0367 0.0170 -0.0278 469 LYS A CE 3813 N NZ . LYS A 469 ? 0.2039 0.2952 0.2065 -0.0370 0.0176 -0.0280 469 LYS A NZ 3814 N N . TYR A 470 ? 0.1800 0.2632 0.1996 -0.0330 0.0209 -0.0245 470 TYR A N 3815 C CA . TYR A 470 ? 0.1865 0.2701 0.2055 -0.0324 0.0194 -0.0224 470 TYR A CA 3816 C C . TYR A 470 ? 0.1821 0.2641 0.2045 -0.0316 0.0203 -0.0215 470 TYR A C 3817 O O . TYR A 470 ? 0.1904 0.2740 0.2147 -0.0319 0.0188 -0.0210 470 TYR A O 3818 C CB . TYR A 470 ? 0.1879 0.2702 0.2034 -0.0314 0.0194 -0.0207 470 TYR A CB 3819 C CG . TYR A 470 ? 0.2015 0.2858 0.2140 -0.0323 0.0183 -0.0209 470 TYR A CG 3820 C CD1 . TYR A 470 ? 0.2006 0.2873 0.2120 -0.0328 0.0161 -0.0200 470 TYR A CD1 3821 C CD2 . TYR A 470 ? 0.2015 0.2851 0.2122 -0.0323 0.0195 -0.0218 470 TYR A CD2 3822 C CE1 . TYR A 470 ? 0.2129 0.3012 0.2211 -0.0335 0.0154 -0.0200 470 TYR A CE1 3823 C CE2 . TYR A 470 ? 0.2065 0.2916 0.2144 -0.0331 0.0188 -0.0220 470 TYR A CE2 3824 C CZ . TYR A 470 ? 0.2107 0.2981 0.2171 -0.0336 0.0169 -0.0210 470 TYR A CZ 3825 O OH . TYR A 470 ? 0.2154 0.3042 0.2188 -0.0342 0.0165 -0.0209 470 TYR A OH 3826 N N . GLN A 471 ? 0.1799 0.2589 0.2031 -0.0306 0.0228 -0.0214 471 GLN A N 3827 C CA . GLN A 471 ? 0.1810 0.2581 0.2069 -0.0296 0.0241 -0.0204 471 GLN A CA 3828 C C . GLN A 471 ? 0.1882 0.2656 0.2192 -0.0304 0.0252 -0.0219 471 GLN A C 3829 O O . GLN A 471 ? 0.1988 0.2754 0.2330 -0.0299 0.0259 -0.0212 471 GLN A O 3830 C CB . GLN A 471 ? 0.1843 0.2575 0.2081 -0.0278 0.0263 -0.0193 471 GLN A CB 3831 C CG . GLN A 471 ? 0.1871 0.2596 0.2071 -0.0267 0.0252 -0.0176 471 GLN A CG 3832 C CD . GLN A 471 ? 0.1969 0.2654 0.2147 -0.0247 0.0271 -0.0167 471 GLN A CD 3833 O OE1 . GLN A 471 ? 0.2090 0.2756 0.2269 -0.0234 0.0279 -0.0155 471 GLN A OE1 3834 N NE2 . GLN A 471 ? 0.1924 0.2598 0.2084 -0.0243 0.0278 -0.0172 471 GLN A NE2 3835 N N . GLY A 472 ? 0.1907 0.2692 0.2230 -0.0315 0.0255 -0.0240 472 GLY A N 3836 C CA . GLY A 472 ? 0.1885 0.2675 0.2267 -0.0323 0.0265 -0.0258 472 GLY A CA 3837 C C . GLY A 472 ? 0.1956 0.2709 0.2361 -0.0310 0.0301 -0.0250 472 GLY A C 3838 O O . GLY A 472 ? 0.2006 0.2752 0.2460 -0.0309 0.0313 -0.0250 472 GLY A O 3839 N N . ILE A 473 ? 0.1970 0.2695 0.2340 -0.0299 0.0318 -0.0242 473 ILE A N 3840 C CA . ILE A 473 ? 0.2078 0.2765 0.2460 -0.0284 0.0354 -0.0233 473 ILE A CA 3841 C C . ILE A 473 ? 0.2178 0.2853 0.2561 -0.0285 0.0372 -0.0245 473 ILE A C 3842 O O . ILE A 473 ? 0.2223 0.2917 0.2587 -0.0295 0.0357 -0.0258 473 ILE A O 3843 C CB . ILE A 473 ? 0.2042 0.2699 0.2378 -0.0263 0.0361 -0.0207 473 ILE A CB 3844 C CG1 . ILE A 473 ? 0.2023 0.2682 0.2304 -0.0260 0.0343 -0.0204 473 ILE A CG1 3845 C CG2 . ILE A 473 ? 0.2030 0.2693 0.2376 -0.0262 0.0350 -0.0196 473 ILE A CG2 3846 C CD1 . ILE A 473 ? 0.1950 0.2580 0.2186 -0.0238 0.0346 -0.0183 473 ILE A CD1 3847 N N . CYS A 474 ? 0.2253 0.2896 0.2659 -0.0274 0.0406 -0.0240 474 CYS A N 3848 C CA . CYS A 474 ? 0.2378 0.3006 0.2793 -0.0273 0.0428 -0.0249 474 CYS A CA 3849 C C . CYS A 474 ? 0.2472 0.3053 0.2865 -0.0250 0.0458 -0.0226 474 CYS A C 3850 O O . CYS A 474 ? 0.2566 0.3126 0.2958 -0.0237 0.0472 -0.0208 474 CYS A O 3851 C CB . CYS A 474 ? 0.2461 0.3102 0.2948 -0.0289 0.0441 -0.0273 474 CYS A CB 3852 S SG . CYS A 474 ? 0.2633 0.3253 0.3182 -0.0283 0.0471 -0.0264 474 CYS A SG 3853 N N . PRO A 475 ? 0.2491 0.3055 0.2864 -0.0242 0.0469 -0.0225 475 PRO A N 3854 C CA . PRO A 475 ? 0.2537 0.3055 0.2884 -0.0218 0.0497 -0.0202 475 PRO A CA 3855 C C . PRO A 475 ? 0.2677 0.3171 0.3077 -0.0214 0.0536 -0.0199 475 PRO A C 3856 O O . PRO A 475 ? 0.2671 0.3182 0.3130 -0.0231 0.0544 -0.0220 475 PRO A O 3857 C CB . PRO A 475 ? 0.2533 0.3046 0.2859 -0.0214 0.0495 -0.0206 475 PRO A CB 3858 C CG . PRO A 475 ? 0.2449 0.3001 0.2808 -0.0240 0.0481 -0.0235 475 PRO A CG 3859 C CD . PRO A 475 ? 0.2434 0.3020 0.2811 -0.0256 0.0459 -0.0246 475 PRO A CD 3860 N N . PRO A 476 ? 0.2771 0.3227 0.3153 -0.0192 0.0561 -0.0175 476 PRO A N 3861 C CA . PRO A 476 ? 0.2888 0.3319 0.3322 -0.0188 0.0603 -0.0169 476 PRO A CA 3862 C C . PRO A 476 ? 0.3052 0.3453 0.3500 -0.0178 0.0636 -0.0164 476 PRO A C 3863 O O . PRO A 476 ? 0.3224 0.3605 0.3725 -0.0176 0.0674 -0.0162 476 PRO A O 3864 C CB . PRO A 476 ? 0.2864 0.3262 0.3261 -0.0167 0.0617 -0.0144 476 PRO A CB 3865 C CG . PRO A 476 ? 0.2866 0.3258 0.3181 -0.0152 0.0590 -0.0132 476 PRO A CG 3866 C CD . PRO A 476 ? 0.2764 0.3199 0.3077 -0.0172 0.0550 -0.0153 476 PRO A CD 3867 N N . VAL A 477 ? 0.3065 0.3461 0.3469 -0.0171 0.0623 -0.0162 477 VAL A N 3868 C CA . VAL A 477 ? 0.3103 0.3480 0.3527 -0.0166 0.0648 -0.0162 477 VAL A CA 3869 C C . VAL A 477 ? 0.3024 0.3434 0.3447 -0.0182 0.0619 -0.0185 477 VAL A C 3870 O O . VAL A 477 ? 0.2980 0.3420 0.3370 -0.0191 0.0582 -0.0193 477 VAL A O 3871 C CB . VAL A 477 ? 0.3264 0.3589 0.3631 -0.0133 0.0669 -0.0130 477 VAL A CB 3872 C CG1 . VAL A 477 ? 0.3257 0.3542 0.3626 -0.0115 0.0708 -0.0106 477 VAL A CG1 3873 C CG2 . VAL A 477 ? 0.3149 0.3476 0.3437 -0.0121 0.0633 -0.0121 477 VAL A CG2 3874 N N . THR A 478 ? 0.2985 0.3390 0.3447 -0.0186 0.0638 -0.0194 478 THR A N 3875 C CA . THR A 478 ? 0.2857 0.3289 0.3322 -0.0202 0.0617 -0.0217 478 THR A CA 3876 C C . THR A 478 ? 0.2755 0.3178 0.3150 -0.0186 0.0595 -0.0202 478 THR A C 3877 O O . THR A 478 ? 0.2744 0.3129 0.3101 -0.0160 0.0607 -0.0176 478 THR A O 3878 C CB . THR A 478 ? 0.2995 0.3417 0.3519 -0.0206 0.0648 -0.0228 478 THR A CB 3879 O OG1 . THR A 478 ? 0.3276 0.3700 0.3871 -0.0217 0.0673 -0.0240 478 THR A OG1 3880 C CG2 . THR A 478 ? 0.2870 0.3325 0.3406 -0.0225 0.0628 -0.0257 478 THR A CG2 3881 N N . ARG A 479 ? 0.2660 0.3119 0.3040 -0.0201 0.0562 -0.0220 479 ARG A N 3882 C CA . ARG A 479 ? 0.2675 0.3130 0.3001 -0.0190 0.0539 -0.0212 479 ARG A CA 3883 C C . ARG A 479 ? 0.2728 0.3202 0.3080 -0.0204 0.0536 -0.0234 479 ARG A C 3884 O O . ARG A 479 ? 0.2803 0.3302 0.3199 -0.0226 0.0541 -0.0259 479 ARG A O 3885 C CB . ARG A 479 ? 0.2571 0.3050 0.2856 -0.0195 0.0504 -0.0212 479 ARG A CB 3886 C CG . ARG A 479 ? 0.2578 0.3051 0.2854 -0.0190 0.0505 -0.0199 479 ARG A CG 3887 C CD . ARG A 479 ? 0.2529 0.2956 0.2776 -0.0161 0.0526 -0.0171 479 ARG A CD 3888 N NE . ARG A 479 ? 0.2555 0.2966 0.2740 -0.0140 0.0506 -0.0155 479 ARG A NE 3889 C CZ . ARG A 479 ? 0.2575 0.2944 0.2725 -0.0112 0.0520 -0.0133 479 ARG A CZ 3890 N NH1 . ARG A 479 ? 0.2661 0.2998 0.2832 -0.0101 0.0558 -0.0121 479 ARG A NH1 3891 N NH2 . ARG A 479 ? 0.2555 0.2912 0.2650 -0.0093 0.0497 -0.0122 479 ARG A NH2 3892 N N . ASN A 480 ? 0.2813 0.3274 0.3136 -0.0191 0.0528 -0.0225 480 ASN A N 3893 C CA . ASN A 480 ? 0.2817 0.3296 0.3161 -0.0203 0.0524 -0.0245 480 ASN A CA 3894 C C . ASN A 480 ? 0.2757 0.3237 0.3055 -0.0193 0.0497 -0.0236 480 ASN A C 3895 O O . ASN A 480 ? 0.2601 0.3073 0.2856 -0.0179 0.0480 -0.0219 480 ASN A O 3896 C CB . ASN A 480 ? 0.3111 0.3565 0.3497 -0.0197 0.0557 -0.0244 480 ASN A CB 3897 C CG . ASN A 480 ? 0.3401 0.3811 0.3757 -0.0165 0.0568 -0.0212 480 ASN A CG 3898 O OD1 . ASN A 480 ? 0.3242 0.3644 0.3550 -0.0149 0.0545 -0.0198 480 ASN A OD1 3899 N ND2 . ASN A 480 ? 0.3873 0.4253 0.4261 -0.0155 0.0602 -0.0201 480 ASN A ND2 3900 N N . GLU A 481 ? 0.2636 0.3127 0.2947 -0.0200 0.0492 -0.0249 481 GLU A N 3901 C CA . GLU A 481 ? 0.2634 0.3132 0.2912 -0.0193 0.0465 -0.0246 481 GLU A CA 3902 C C . GLU A 481 ? 0.2603 0.3067 0.2853 -0.0163 0.0459 -0.0221 481 GLU A C 3903 O O . GLU A 481 ? 0.2560 0.3027 0.2787 -0.0156 0.0435 -0.0218 481 GLU A O 3904 C CB . GLU A 481 ? 0.2647 0.3169 0.2950 -0.0212 0.0463 -0.0269 481 GLU A CB 3905 C CG . GLU A 481 ? 0.2747 0.3307 0.3054 -0.0239 0.0455 -0.0292 481 GLU A CG 3906 C CD . GLU A 481 ? 0.2752 0.3329 0.3020 -0.0241 0.0428 -0.0284 481 GLU A CD 3907 O OE1 . GLU A 481 ? 0.2868 0.3432 0.3107 -0.0224 0.0412 -0.0266 481 GLU A OE1 3908 O OE2 . GLU A 481 ? 0.2778 0.3380 0.3046 -0.0259 0.0423 -0.0297 481 GLU A OE2 3909 N N . THR A 482 ? 0.2665 0.3094 0.2916 -0.0145 0.0481 -0.0204 482 THR A N 3910 C CA . THR A 482 ? 0.2805 0.3198 0.3017 -0.0113 0.0475 -0.0178 482 THR A CA 3911 C C . THR A 482 ? 0.2682 0.3071 0.2844 -0.0102 0.0457 -0.0164 482 THR A C 3912 O O . THR A 482 ? 0.2619 0.2993 0.2741 -0.0081 0.0434 -0.0152 482 THR A O 3913 C CB . THR A 482 ? 0.3053 0.3410 0.3282 -0.0096 0.0508 -0.0162 482 THR A CB 3914 O OG1 . THR A 482 ? 0.3150 0.3513 0.3429 -0.0107 0.0522 -0.0176 482 THR A OG1 3915 C CG2 . THR A 482 ? 0.3177 0.3493 0.3357 -0.0060 0.0502 -0.0133 482 THR A CG2 3916 N N . HIS A 483 ? 0.2511 0.2913 0.2680 -0.0117 0.0465 -0.0169 483 HIS A N 3917 C CA . HIS A 483 ? 0.2531 0.2935 0.2661 -0.0112 0.0448 -0.0161 483 HIS A CA 3918 C C . HIS A 483 ? 0.2474 0.2912 0.2595 -0.0126 0.0415 -0.0174 483 HIS A C 3919 O O . HIS A 483 ? 0.2421 0.2888 0.2571 -0.0147 0.0411 -0.0193 483 HIS A O 3920 C CB . HIS A 483 ? 0.2621 0.3029 0.2770 -0.0123 0.0468 -0.0162 483 HIS A CB 3921 C CG . HIS A 483 ? 0.2727 0.3101 0.2894 -0.0111 0.0505 -0.0149 483 HIS A CG 3922 N ND1 . HIS A 483 ? 0.2747 0.3130 0.2971 -0.0129 0.0531 -0.0163 483 HIS A ND1 3923 C CD2 . HIS A 483 ? 0.2783 0.3114 0.2918 -0.0082 0.0522 -0.0123 483 HIS A CD2 3924 C CE1 . HIS A 483 ? 0.2876 0.3222 0.3108 -0.0111 0.0564 -0.0145 483 HIS A CE1 3925 N NE2 . HIS A 483 ? 0.2920 0.3233 0.3095 -0.0083 0.0560 -0.0120 483 HIS A NE2 3926 N N . PHE A 484 ? 0.2355 0.2788 0.2436 -0.0113 0.0394 -0.0163 484 PHE A N 3927 C CA . PHE A 484 ? 0.2248 0.2708 0.2320 -0.0122 0.0364 -0.0171 484 PHE A CA 3928 C C . PHE A 484 ? 0.2230 0.2690 0.2275 -0.0118 0.0355 -0.0163 484 PHE A C 3929 O O . PHE A 484 ? 0.2199 0.2644 0.2209 -0.0099 0.0337 -0.0153 484 PHE A O 3930 C CB . PHE A 484 ? 0.2296 0.2746 0.2353 -0.0104 0.0343 -0.0168 484 PHE A CB 3931 C CG . PHE A 484 ? 0.2283 0.2758 0.2336 -0.0111 0.0313 -0.0176 484 PHE A CG 3932 C CD1 . PHE A 484 ? 0.2310 0.2821 0.2385 -0.0139 0.0310 -0.0190 484 PHE A CD1 3933 C CD2 . PHE A 484 ? 0.2317 0.2778 0.2344 -0.0090 0.0288 -0.0170 484 PHE A CD2 3934 C CE1 . PHE A 484 ? 0.2259 0.2791 0.2332 -0.0145 0.0286 -0.0194 484 PHE A CE1 3935 C CE2 . PHE A 484 ? 0.2273 0.2757 0.2306 -0.0097 0.0262 -0.0177 484 PHE A CE2 3936 C CZ . PHE A 484 ? 0.2218 0.2736 0.2274 -0.0124 0.0263 -0.0188 484 PHE A CZ 3937 N N . ASP A 485 ? 0.2168 0.2645 0.2234 -0.0137 0.0367 -0.0168 485 ASP A N 3938 C CA . ASP A 485 ? 0.2136 0.2612 0.2185 -0.0134 0.0364 -0.0160 485 ASP A CA 3939 C C . ASP A 485 ? 0.2148 0.2643 0.2179 -0.0137 0.0334 -0.0161 485 ASP A C 3940 O O . ASP A 485 ? 0.2055 0.2537 0.2061 -0.0124 0.0328 -0.0150 485 ASP A O 3941 C CB . ASP A 485 ? 0.2127 0.2617 0.2212 -0.0153 0.0384 -0.0167 485 ASP A CB 3942 C CG . ASP A 485 ? 0.2202 0.2664 0.2306 -0.0145 0.0418 -0.0162 485 ASP A CG 3943 O OD1 . ASP A 485 ? 0.2290 0.2715 0.2365 -0.0120 0.0428 -0.0145 485 ASP A OD1 3944 O OD2 . ASP A 485 ? 0.2222 0.2699 0.2370 -0.0163 0.0434 -0.0175 485 ASP A OD2 3945 N N . ALA A 486 ? 0.2087 0.2612 0.2132 -0.0153 0.0317 -0.0173 486 ALA A N 3946 C CA . ALA A 486 ? 0.2045 0.2586 0.2077 -0.0153 0.0290 -0.0172 486 ALA A CA 3947 C C . ALA A 486 ? 0.2059 0.2573 0.2059 -0.0126 0.0275 -0.0163 486 ALA A C 3948 O O . ALA A 486 ? 0.2083 0.2599 0.2068 -0.0120 0.0257 -0.0159 486 ALA A O 3949 C CB . ALA A 486 ? 0.2039 0.2610 0.2091 -0.0171 0.0279 -0.0185 486 ALA A CB 3950 N N . GLY A 487 ? 0.2054 0.2543 0.2047 -0.0110 0.0281 -0.0160 487 GLY A N 3951 C CA . GLY A 487 ? 0.2080 0.2541 0.2041 -0.0082 0.0265 -0.0153 487 GLY A CA 3952 C C . GLY A 487 ? 0.2088 0.2521 0.2009 -0.0062 0.0269 -0.0140 487 GLY A C 3953 O O . GLY A 487 ? 0.2110 0.2525 0.1999 -0.0040 0.0249 -0.0136 487 GLY A O 3954 N N . ALA A 488 ? 0.2079 0.2508 0.2004 -0.0069 0.0294 -0.0134 488 ALA A N 3955 C CA . ALA A 488 ? 0.2157 0.2557 0.2048 -0.0051 0.0305 -0.0121 488 ALA A CA 3956 C C . ALA A 488 ? 0.2187 0.2603 0.2075 -0.0057 0.0291 -0.0123 488 ALA A C 3957 O O . ALA A 488 ? 0.2260 0.2656 0.2126 -0.0047 0.0302 -0.0114 488 ALA A O 3958 C CB . ALA A 488 ? 0.2108 0.2493 0.2013 -0.0054 0.0342 -0.0114 488 ALA A CB 3959 N N . LYS A 489 ? 0.2197 0.2648 0.2108 -0.0075 0.0268 -0.0133 489 LYS A N 3960 C CA . LYS A 489 ? 0.2193 0.2660 0.2105 -0.0081 0.0250 -0.0135 489 LYS A CA 3961 C C . LYS A 489 ? 0.2183 0.2649 0.2081 -0.0067 0.0220 -0.0140 489 LYS A C 3962 O O . LYS A 489 ? 0.2184 0.2665 0.2101 -0.0073 0.0208 -0.0148 489 LYS A O 3963 C CB . LYS A 489 ? 0.2182 0.2691 0.2134 -0.0111 0.0248 -0.0141 489 LYS A CB 3964 C CG . LYS A 489 ? 0.2311 0.2840 0.2270 -0.0118 0.0230 -0.0141 489 LYS A CG 3965 C CD . LYS A 489 ? 0.2368 0.2885 0.2319 -0.0112 0.0241 -0.0132 489 LYS A CD 3966 C CE . LYS A 489 ? 0.2373 0.2907 0.2331 -0.0116 0.0220 -0.0132 489 LYS A CE 3967 N NZ . LYS A 489 ? 0.2359 0.2871 0.2299 -0.0102 0.0227 -0.0125 489 LYS A NZ 3968 N N . PHE A 490 ? 0.2109 0.2560 0.1980 -0.0051 0.0208 -0.0137 490 PHE A N 3969 C CA . PHE A 490 ? 0.2107 0.2551 0.1963 -0.0034 0.0178 -0.0144 490 PHE A CA 3970 C C . PHE A 490 ? 0.2019 0.2494 0.1913 -0.0048 0.0157 -0.0155 490 PHE A C 3971 O O . PHE A 490 ? 0.2015 0.2482 0.1908 -0.0035 0.0140 -0.0161 490 PHE A O 3972 C CB . PHE A 490 ? 0.2117 0.2555 0.1955 -0.0024 0.0168 -0.0144 490 PHE A CB 3973 C CG . PHE A 490 ? 0.2139 0.2574 0.1970 -0.0009 0.0135 -0.0155 490 PHE A CG 3974 C CD1 . PHE A 490 ? 0.2208 0.2607 0.1992 0.0021 0.0123 -0.0157 490 PHE A CD1 3975 C CD2 . PHE A 490 ? 0.2115 0.2581 0.1987 -0.0024 0.0115 -0.0163 490 PHE A CD2 3976 C CE1 . PHE A 490 ? 0.2226 0.2624 0.2008 0.0035 0.0089 -0.0170 490 PHE A CE1 3977 C CE2 . PHE A 490 ? 0.2096 0.2560 0.1971 -0.0011 0.0084 -0.0175 490 PHE A CE2 3978 C CZ . PHE A 490 ? 0.2140 0.2571 0.1972 0.0018 0.0070 -0.0180 490 PHE A CZ 3979 N N . HIS A 491 ? 0.1946 0.2454 0.1874 -0.0072 0.0158 -0.0156 491 HIS A N 3980 C CA . HIS A 491 ? 0.1956 0.2491 0.1919 -0.0085 0.0139 -0.0163 491 HIS A CA 3981 C C . HIS A 491 ? 0.1951 0.2496 0.1935 -0.0093 0.0142 -0.0169 491 HIS A C 3982 O O . HIS A 491 ? 0.1906 0.2464 0.1916 -0.0096 0.0127 -0.0176 491 HIS A O 3983 C CB . HIS A 491 ? 0.1936 0.2501 0.1924 -0.0108 0.0143 -0.0159 491 HIS A CB 3984 C CG . HIS A 491 ? 0.1983 0.2541 0.1958 -0.0101 0.0140 -0.0154 491 HIS A CG 3985 N ND1 . HIS A 491 ? 0.2065 0.2634 0.2057 -0.0101 0.0122 -0.0156 491 HIS A ND1 3986 C CD2 . HIS A 491 ? 0.1945 0.2485 0.1897 -0.0094 0.0156 -0.0147 491 HIS A CD2 3987 C CE1 . HIS A 491 ? 0.2042 0.2600 0.2019 -0.0094 0.0125 -0.0151 491 HIS A CE1 3988 N NE2 . HIS A 491 ? 0.2065 0.2606 0.2018 -0.0090 0.0146 -0.0145 491 HIS A NE2 3989 N N . VAL A 492 ? 0.1930 0.2466 0.1906 -0.0096 0.0164 -0.0166 492 VAL A N 3990 C CA . VAL A 492 ? 0.1993 0.2537 0.1991 -0.0104 0.0170 -0.0173 492 VAL A CA 3991 C C . VAL A 492 ? 0.2027 0.2550 0.2020 -0.0082 0.0155 -0.0177 492 VAL A C 3992 O O . VAL A 492 ? 0.1967 0.2504 0.1989 -0.0086 0.0141 -0.0186 492 VAL A O 3993 C CB . VAL A 492 ? 0.1950 0.2494 0.1950 -0.0116 0.0199 -0.0171 492 VAL A CB 3994 C CG1 . VAL A 492 ? 0.1942 0.2490 0.1964 -0.0122 0.0207 -0.0179 492 VAL A CG1 3995 C CG2 . VAL A 492 ? 0.1858 0.2429 0.1871 -0.0140 0.0207 -0.0170 492 VAL A CG2 3996 N N . PRO A 493 ? 0.2161 0.2650 0.2118 -0.0058 0.0156 -0.0171 493 PRO A N 3997 C CA . PRO A 493 ? 0.2233 0.2702 0.2182 -0.0034 0.0135 -0.0176 493 PRO A CA 3998 C C . PRO A 493 ? 0.2295 0.2768 0.2248 -0.0023 0.0102 -0.0184 493 PRO A C 3999 O O . PRO A 493 ? 0.2365 0.2834 0.2331 -0.0010 0.0080 -0.0193 493 PRO A O 4000 C CB . PRO A 493 ? 0.2334 0.2765 0.2234 -0.0010 0.0146 -0.0164 493 PRO A CB 4001 C CG . PRO A 493 ? 0.2317 0.2746 0.2198 -0.0017 0.0166 -0.0156 493 PRO A CG 4002 C CD . PRO A 493 ? 0.2215 0.2681 0.2139 -0.0050 0.0179 -0.0160 493 PRO A CD 4003 N N . ASN A 494 ? 0.2292 0.2773 0.2238 -0.0028 0.0099 -0.0183 494 ASN A N 4004 C CA . ASN A 494 ? 0.2348 0.2836 0.2306 -0.0020 0.0069 -0.0192 494 ASN A CA 4005 C C . ASN A 494 ? 0.2309 0.2832 0.2323 -0.0043 0.0064 -0.0199 494 ASN A C 4006 O O . ASN A 494 ? 0.2225 0.2756 0.2258 -0.0041 0.0043 -0.0206 494 ASN A O 4007 C CB . ASN A 494 ? 0.2394 0.2867 0.2315 -0.0009 0.0065 -0.0189 494 ASN A CB 4008 C CG . ASN A 494 ? 0.2483 0.2916 0.2346 0.0021 0.0063 -0.0185 494 ASN A CG 4009 O OD1 . ASN A 494 ? 0.2700 0.3116 0.2546 0.0044 0.0035 -0.0194 494 ASN A OD1 4010 N ND2 . ASN A 494 ? 0.2458 0.2874 0.2291 0.0021 0.0092 -0.0172 494 ASN A ND2 4011 N N . VAL A 495 ? 0.2360 0.2901 0.2398 -0.0065 0.0084 -0.0197 495 VAL A N 4012 C CA . VAL A 495 ? 0.2396 0.2967 0.2484 -0.0086 0.0084 -0.0202 495 VAL A CA 4013 C C . VAL A 495 ? 0.2443 0.3033 0.2551 -0.0095 0.0075 -0.0201 495 VAL A C 4014 O O . VAL A 495 ? 0.2567 0.3170 0.2715 -0.0097 0.0062 -0.0208 495 VAL A O 4015 C CB . VAL A 495 ? 0.2481 0.3050 0.2602 -0.0078 0.0071 -0.0213 495 VAL A CB 4016 C CG1 . VAL A 495 ? 0.2549 0.3099 0.2651 -0.0070 0.0083 -0.0211 495 VAL A CG1 4017 C CG2 . VAL A 495 ? 0.2510 0.3068 0.2640 -0.0056 0.0038 -0.0223 495 VAL A CG2 4018 N N . THR A 496 ? 0.2294 0.2886 0.2378 -0.0101 0.0084 -0.0191 496 THR A N 4019 C CA . THR A 496 ? 0.2179 0.2787 0.2280 -0.0109 0.0078 -0.0188 496 THR A CA 4020 C C . THR A 496 ? 0.2008 0.2636 0.2106 -0.0131 0.0099 -0.0176 496 THR A C 4021 O O . THR A 496 ? 0.2012 0.2632 0.2084 -0.0133 0.0115 -0.0172 496 THR A O 4022 C CB . THR A 496 ? 0.2323 0.2911 0.2401 -0.0088 0.0061 -0.0190 496 THR A CB 4023 O OG1 . THR A 496 ? 0.2304 0.2908 0.2406 -0.0096 0.0054 -0.0187 496 THR A OG1 4024 C CG2 . THR A 496 ? 0.2269 0.2835 0.2297 -0.0079 0.0074 -0.0183 496 THR A CG2 4025 N N . PRO A 497 ? 0.1890 0.2543 0.2019 -0.0148 0.0099 -0.0172 497 PRO A N 4026 C CA . PRO A 497 ? 0.1832 0.2507 0.1959 -0.0169 0.0117 -0.0162 497 PRO A CA 4027 C C . PRO A 497 ? 0.1786 0.2460 0.1893 -0.0171 0.0120 -0.0153 497 PRO A C 4028 O O . PRO A 497 ? 0.1733 0.2393 0.1832 -0.0158 0.0110 -0.0152 497 PRO A O 4029 C CB . PRO A 497 ? 0.1847 0.2544 0.2011 -0.0181 0.0114 -0.0158 497 PRO A CB 4030 C CG . PRO A 497 ? 0.1856 0.2544 0.2049 -0.0168 0.0099 -0.0169 497 PRO A CG 4031 C CD . PRO A 497 ? 0.1892 0.2555 0.2062 -0.0146 0.0084 -0.0176 497 PRO A CD 4032 N N . TYR A 498 ? 0.1664 0.2352 0.1762 -0.0187 0.0135 -0.0148 498 TYR A N 4033 C CA . TYR A 498 ? 0.1681 0.2370 0.1767 -0.0190 0.0140 -0.0141 498 TYR A CA 4034 C C . TYR A 498 ? 0.1662 0.2377 0.1761 -0.0206 0.0138 -0.0130 498 TYR A C 4035 O O . TYR A 498 ? 0.1672 0.2388 0.1770 -0.0205 0.0136 -0.0123 498 TYR A O 4036 C CB . TYR A 498 ? 0.1640 0.2321 0.1708 -0.0193 0.0157 -0.0145 498 TYR A CB 4037 C CG . TYR A 498 ? 0.1653 0.2316 0.1706 -0.0184 0.0162 -0.0141 498 TYR A CG 4038 C CD1 . TYR A 498 ? 0.1659 0.2292 0.1693 -0.0162 0.0160 -0.0142 498 TYR A CD1 4039 C CD2 . TYR A 498 ? 0.1596 0.2273 0.1655 -0.0195 0.0169 -0.0135 498 TYR A CD2 4040 C CE1 . TYR A 498 ? 0.1655 0.2270 0.1674 -0.0152 0.0168 -0.0137 498 TYR A CE1 4041 C CE2 . TYR A 498 ? 0.1619 0.2279 0.1671 -0.0187 0.0177 -0.0131 498 TYR A CE2 4042 C CZ . TYR A 498 ? 0.1612 0.2240 0.1643 -0.0165 0.0179 -0.0132 498 TYR A CZ 4043 O OH . TYR A 498 ? 0.1643 0.2252 0.1665 -0.0156 0.0190 -0.0127 498 TYR A OH 4044 N N . ILE A 499 ? 0.1636 0.2372 0.1747 -0.0219 0.0140 -0.0128 499 ILE A N 4045 C CA . ILE A 499 ? 0.1603 0.2364 0.1719 -0.0233 0.0139 -0.0116 499 ILE A CA 4046 C C . ILE A 499 ? 0.1604 0.2367 0.1738 -0.0228 0.0127 -0.0104 499 ILE A C 4047 O O . ILE A 499 ? 0.1585 0.2362 0.1722 -0.0236 0.0125 -0.0092 499 ILE A O 4048 C CB . ILE A 499 ? 0.1555 0.2334 0.1674 -0.0247 0.0146 -0.0115 499 ILE A CB 4049 C CG1 . ILE A 499 ? 0.1558 0.2361 0.1667 -0.0261 0.0146 -0.0104 499 ILE A CG1 4050 C CG2 . ILE A 499 ? 0.1529 0.2307 0.1673 -0.0242 0.0142 -0.0111 499 ILE A CG2 4051 C CD1 . ILE A 499 ? 0.1591 0.2397 0.1682 -0.0268 0.0150 -0.0111 499 ILE A CD1 4052 N N . ARG A 500 ? 0.1640 0.2389 0.1788 -0.0215 0.0119 -0.0108 500 ARG A N 4053 C CA . ARG A 500 ? 0.1677 0.2423 0.1845 -0.0207 0.0108 -0.0101 500 ARG A CA 4054 C C . ARG A 500 ? 0.1661 0.2403 0.1819 -0.0205 0.0108 -0.0096 500 ARG A C 4055 O O . ARG A 500 ? 0.1677 0.2428 0.1854 -0.0206 0.0102 -0.0085 500 ARG A O 4056 C CB . ARG A 500 ? 0.1666 0.2391 0.1843 -0.0190 0.0097 -0.0114 500 ARG A CB 4057 C CG . ARG A 500 ? 0.1760 0.2460 0.1907 -0.0175 0.0098 -0.0126 500 ARG A CG 4058 C CD . ARG A 500 ? 0.1781 0.2461 0.1933 -0.0157 0.0083 -0.0140 500 ARG A CD 4059 N NE . ARG A 500 ? 0.1785 0.2476 0.1966 -0.0161 0.0079 -0.0144 500 ARG A NE 4060 C CZ . ARG A 500 ? 0.1766 0.2447 0.1968 -0.0148 0.0064 -0.0157 500 ARG A CZ 4061 N NH1 . ARG A 500 ? 0.1722 0.2382 0.1911 -0.0128 0.0049 -0.0167 500 ARG A NH1 4062 N NH2 . ARG A 500 ? 0.1681 0.2373 0.1916 -0.0154 0.0064 -0.0160 500 ARG A NH2 4063 N N . TYR A 501 ? 0.1654 0.2383 0.1787 -0.0202 0.0117 -0.0103 501 TYR A N 4064 C CA . TYR A 501 ? 0.1710 0.2432 0.1838 -0.0199 0.0121 -0.0099 501 TYR A CA 4065 C C . TYR A 501 ? 0.1757 0.2504 0.1894 -0.0216 0.0123 -0.0089 501 TYR A C 4066 O O . TYR A 501 ? 0.1681 0.2433 0.1832 -0.0217 0.0120 -0.0080 501 TYR A O 4067 C CB . TYR A 501 ? 0.1701 0.2398 0.1804 -0.0189 0.0132 -0.0108 501 TYR A CB 4068 C CG . TYR A 501 ? 0.1778 0.2448 0.1865 -0.0169 0.0127 -0.0118 501 TYR A CG 4069 C CD1 . TYR A 501 ? 0.1773 0.2430 0.1864 -0.0155 0.0117 -0.0118 501 TYR A CD1 4070 C CD2 . TYR A 501 ? 0.1740 0.2398 0.1810 -0.0164 0.0130 -0.0127 501 TYR A CD2 4071 C CE1 . TYR A 501 ? 0.1771 0.2403 0.1844 -0.0136 0.0109 -0.0129 501 TYR A CE1 4072 C CE2 . TYR A 501 ? 0.1774 0.2408 0.1829 -0.0144 0.0122 -0.0136 501 TYR A CE2 4073 C CZ . TYR A 501 ? 0.1780 0.2401 0.1834 -0.0130 0.0111 -0.0137 501 TYR A CZ 4074 O OH . TYR A 501 ? 0.1887 0.2483 0.1922 -0.0108 0.0099 -0.0148 501 TYR A OH 4075 N N . PHE A 502 ? 0.1775 0.2538 0.1904 -0.0229 0.0127 -0.0090 502 PHE A N 4076 C CA . PHE A 502 ? 0.1779 0.2567 0.1914 -0.0244 0.0124 -0.0082 502 PHE A CA 4077 C C . PHE A 502 ? 0.1722 0.2527 0.1875 -0.0247 0.0113 -0.0066 502 PHE A C 4078 O O . PHE A 502 ? 0.1842 0.2659 0.2007 -0.0251 0.0107 -0.0054 502 PHE A O 4079 C CB . PHE A 502 ? 0.1801 0.2603 0.1920 -0.0256 0.0130 -0.0089 502 PHE A CB 4080 C CG . PHE A 502 ? 0.1840 0.2667 0.1957 -0.0269 0.0124 -0.0083 502 PHE A CG 4081 C CD1 . PHE A 502 ? 0.1853 0.2684 0.1976 -0.0274 0.0124 -0.0088 502 PHE A CD1 4082 C CD2 . PHE A 502 ? 0.1831 0.2678 0.1944 -0.0277 0.0118 -0.0072 502 PHE A CD2 4083 C CE1 . PHE A 502 ? 0.1888 0.2743 0.2011 -0.0285 0.0114 -0.0084 502 PHE A CE1 4084 C CE2 . PHE A 502 ? 0.1863 0.2732 0.1968 -0.0287 0.0110 -0.0066 502 PHE A CE2 4085 C CZ . PHE A 502 ? 0.1887 0.2761 0.1997 -0.0291 0.0106 -0.0073 502 PHE A CZ 4086 N N . VAL A 503 ? 0.1724 0.2528 0.1883 -0.0244 0.0111 -0.0064 503 VAL A N 4087 C CA . VAL A 503 ? 0.1699 0.2515 0.1881 -0.0245 0.0104 -0.0047 503 VAL A CA 4088 C C . VAL A 503 ? 0.1742 0.2550 0.1947 -0.0236 0.0097 -0.0042 503 VAL A C 4089 O O . VAL A 503 ? 0.1755 0.2577 0.1978 -0.0240 0.0091 -0.0026 503 VAL A O 4090 C CB . VAL A 503 ? 0.1725 0.2538 0.1918 -0.0243 0.0106 -0.0049 503 VAL A CB 4091 C CG1 . VAL A 503 ? 0.1671 0.2493 0.1896 -0.0242 0.0101 -0.0032 503 VAL A CG1 4092 C CG2 . VAL A 503 ? 0.1700 0.2523 0.1873 -0.0253 0.0116 -0.0052 503 VAL A CG2 4093 N N . SER A 504 ? 0.1697 0.2482 0.1899 -0.0223 0.0098 -0.0055 504 SER A N 4094 C CA . SER A 504 ? 0.1742 0.2515 0.1961 -0.0213 0.0094 -0.0054 504 SER A CA 4095 C C . SER A 504 ? 0.1778 0.2559 0.2003 -0.0219 0.0095 -0.0045 504 SER A C 4096 O O . SER A 504 ? 0.1881 0.2667 0.2133 -0.0217 0.0090 -0.0034 504 SER A O 4097 C CB . SER A 504 ? 0.1787 0.2531 0.1988 -0.0197 0.0097 -0.0071 504 SER A CB 4098 O OG . SER A 504 ? 0.2089 0.2820 0.2301 -0.0187 0.0095 -0.0071 504 SER A OG 4099 N N . PHE A 505 ? 0.1701 0.2484 0.1907 -0.0225 0.0102 -0.0050 505 PHE A N 4100 C CA . PHE A 505 ? 0.1797 0.2587 0.2015 -0.0229 0.0104 -0.0045 505 PHE A CA 4101 C C . PHE A 505 ? 0.1797 0.2615 0.2036 -0.0240 0.0092 -0.0027 505 PHE A C 4102 O O . PHE A 505 ? 0.1899 0.2723 0.2162 -0.0241 0.0089 -0.0020 505 PHE A O 4103 C CB . PHE A 505 ? 0.1759 0.2543 0.1959 -0.0232 0.0115 -0.0057 505 PHE A CB 4104 C CG . PHE A 505 ? 0.1857 0.2610 0.2047 -0.0219 0.0129 -0.0067 505 PHE A CG 4105 C CD1 . PHE A 505 ? 0.1897 0.2626 0.2068 -0.0205 0.0131 -0.0074 505 PHE A CD1 4106 C CD2 . PHE A 505 ? 0.1836 0.2583 0.2036 -0.0220 0.0140 -0.0069 505 PHE A CD2 4107 C CE1 . PHE A 505 ? 0.1990 0.2688 0.2144 -0.0190 0.0144 -0.0082 505 PHE A CE1 4108 C CE2 . PHE A 505 ? 0.1916 0.2631 0.2103 -0.0206 0.0157 -0.0075 505 PHE A CE2 4109 C CZ . PHE A 505 ? 0.1939 0.2630 0.2099 -0.0190 0.0158 -0.0081 505 PHE A CZ 4110 N N . VAL A 506 ? 0.1727 0.2562 0.1956 -0.0248 0.0087 -0.0021 506 VAL A N 4111 C CA . VAL A 506 ? 0.1716 0.2576 0.1958 -0.0256 0.0076 -0.0001 506 VAL A CA 4112 C C . VAL A 506 ? 0.1718 0.2576 0.1990 -0.0250 0.0071 0.0012 506 VAL A C 4113 O O . VAL A 506 ? 0.1653 0.2522 0.1952 -0.0250 0.0064 0.0027 506 VAL A O 4114 C CB . VAL A 506 ? 0.1755 0.2630 0.1970 -0.0265 0.0076 0.0000 506 VAL A CB 4115 C CG1 . VAL A 506 ? 0.1742 0.2639 0.1963 -0.0270 0.0065 0.0024 506 VAL A CG1 4116 C CG2 . VAL A 506 ? 0.1774 0.2651 0.1962 -0.0272 0.0080 -0.0015 506 VAL A CG2 4117 N N . LEU A 507 ? 0.1753 0.2598 0.2026 -0.0243 0.0076 0.0006 507 LEU A N 4118 C CA . LEU A 507 ? 0.1756 0.2599 0.2062 -0.0237 0.0073 0.0015 507 LEU A CA 4119 C C . LEU A 507 ? 0.1663 0.2495 0.1997 -0.0229 0.0070 0.0014 507 LEU A C 4120 O O . LEU A 507 ? 0.1569 0.2409 0.1937 -0.0229 0.0065 0.0030 507 LEU A O 4121 C CB . LEU A 507 ? 0.1955 0.2784 0.2258 -0.0231 0.0077 0.0002 507 LEU A CB 4122 C CG . LEU A 507 ? 0.2152 0.2985 0.2482 -0.0230 0.0077 0.0010 507 LEU A CG 4123 C CD1 . LEU A 507 ? 0.2161 0.3016 0.2493 -0.0241 0.0079 0.0034 507 LEU A CD1 4124 C CD2 . LEU A 507 ? 0.2141 0.2962 0.2456 -0.0227 0.0081 -0.0008 507 LEU A CD2 4125 N N . GLN A 508 ? 0.1604 0.2418 0.1924 -0.0222 0.0076 -0.0002 508 GLN A N 4126 C CA . GLN A 508 ? 0.1638 0.2438 0.1981 -0.0213 0.0077 -0.0004 508 GLN A CA 4127 C C . GLN A 508 ? 0.1626 0.2442 0.2000 -0.0219 0.0073 0.0013 508 GLN A C 4128 O O . GLN A 508 ? 0.1607 0.2420 0.2016 -0.0214 0.0071 0.0017 508 GLN A O 4129 C CB . GLN A 508 ? 0.1558 0.2331 0.1875 -0.0204 0.0088 -0.0023 508 GLN A CB 4130 C CG . GLN A 508 ? 0.1570 0.2345 0.1868 -0.0210 0.0096 -0.0026 508 GLN A CG 4131 C CD . GLN A 508 ? 0.1584 0.2329 0.1853 -0.0198 0.0109 -0.0043 508 GLN A CD 4132 O OE1 . GLN A 508 ? 0.1681 0.2412 0.1956 -0.0192 0.0119 -0.0045 508 GLN A OE1 4133 N NE2 . GLN A 508 ? 0.1604 0.2338 0.1843 -0.0193 0.0110 -0.0054 508 GLN A NE2 4134 N N . PHE A 509 ? 0.1681 0.2517 0.2047 -0.0230 0.0069 0.0021 509 PHE A N 4135 C CA . PHE A 509 ? 0.1720 0.2574 0.2117 -0.0235 0.0061 0.0038 509 PHE A CA 4136 C C . PHE A 509 ? 0.1748 0.2621 0.2168 -0.0238 0.0050 0.0061 509 PHE A C 4137 O O . PHE A 509 ? 0.1704 0.2584 0.2164 -0.0237 0.0045 0.0075 509 PHE A O 4138 C CB . PHE A 509 ? 0.1713 0.2580 0.2095 -0.0245 0.0057 0.0036 509 PHE A CB 4139 C CG . PHE A 509 ? 0.1717 0.2566 0.2095 -0.0241 0.0071 0.0017 509 PHE A CG 4140 C CD1 . PHE A 509 ? 0.1699 0.2542 0.2111 -0.0237 0.0075 0.0018 509 PHE A CD1 4141 C CD2 . PHE A 509 ? 0.1692 0.2527 0.2032 -0.0240 0.0081 0.0000 509 PHE A CD2 4142 C CE1 . PHE A 509 ? 0.1666 0.2488 0.2075 -0.0233 0.0092 0.0003 509 PHE A CE1 4143 C CE2 . PHE A 509 ? 0.1728 0.2543 0.2064 -0.0235 0.0096 -0.0013 509 PHE A CE2 4144 C CZ . PHE A 509 ? 0.1710 0.2518 0.2080 -0.0231 0.0103 -0.0011 509 PHE A CZ 4145 N N . GLN A 510 ? 0.1760 0.2638 0.2158 -0.0241 0.0050 0.0065 510 GLN A N 4146 C CA . GLN A 510 ? 0.1809 0.2699 0.2229 -0.0242 0.0045 0.0088 510 GLN A CA 4147 C C . GLN A 510 ? 0.1846 0.2724 0.2311 -0.0233 0.0048 0.0087 510 GLN A C 4148 O O . GLN A 510 ? 0.1859 0.2745 0.2362 -0.0233 0.0044 0.0107 510 GLN A O 4149 C CB . GLN A 510 ? 0.1869 0.2763 0.2261 -0.0246 0.0050 0.0089 510 GLN A CB 4150 C CG . GLN A 510 ? 0.1960 0.2869 0.2308 -0.0255 0.0047 0.0092 510 GLN A CG 4151 C CD . GLN A 510 ? 0.2033 0.2945 0.2355 -0.0258 0.0055 0.0096 510 GLN A CD 4152 O OE1 . GLN A 510 ? 0.2039 0.2944 0.2332 -0.0260 0.0062 0.0077 510 GLN A OE1 4153 N NE2 . GLN A 510 ? 0.2028 0.2949 0.2363 -0.0258 0.0055 0.0121 510 GLN A NE2 4154 N N . PHE A 511 ? 0.1786 0.2641 0.2244 -0.0226 0.0055 0.0064 511 PHE A N 4155 C CA . PHE A 511 ? 0.1820 0.2661 0.2316 -0.0216 0.0057 0.0057 511 PHE A CA 4156 C C . PHE A 511 ? 0.1787 0.2624 0.2313 -0.0212 0.0056 0.0059 511 PHE A C 4157 O O . PHE A 511 ? 0.1686 0.2525 0.2259 -0.0209 0.0054 0.0069 511 PHE A O 4158 C CB . PHE A 511 ? 0.1895 0.2712 0.2369 -0.0206 0.0061 0.0029 511 PHE A CB 4159 C CG . PHE A 511 ? 0.2034 0.2850 0.2492 -0.0207 0.0061 0.0022 511 PHE A CG 4160 C CD1 . PHE A 511 ? 0.2061 0.2895 0.2524 -0.0216 0.0062 0.0042 511 PHE A CD1 4161 C CD2 . PHE A 511 ? 0.2130 0.2925 0.2567 -0.0198 0.0062 -0.0002 511 PHE A CD2 4162 C CE1 . PHE A 511 ? 0.2036 0.2869 0.2490 -0.0217 0.0065 0.0035 511 PHE A CE1 4163 C CE2 . PHE A 511 ? 0.2091 0.2886 0.2521 -0.0198 0.0062 -0.0009 511 PHE A CE2 4164 C CZ . PHE A 511 ? 0.2107 0.2921 0.2548 -0.0208 0.0065 0.0009 511 PHE A CZ 4165 N N . HIS A 512 ? 0.1782 0.2613 0.2285 -0.0213 0.0060 0.0050 512 HIS A N 4166 C CA . HIS A 512 ? 0.1805 0.2631 0.2336 -0.0209 0.0063 0.0050 512 HIS A CA 4167 C C . HIS A 512 ? 0.1772 0.2621 0.2348 -0.0216 0.0054 0.0076 512 HIS A C 4168 O O . HIS A 512 ? 0.1654 0.2500 0.2275 -0.0211 0.0055 0.0081 512 HIS A O 4169 C CB . HIS A 512 ? 0.1770 0.2589 0.2271 -0.0211 0.0070 0.0038 512 HIS A CB 4170 C CG . HIS A 512 ? 0.1867 0.2677 0.2397 -0.0207 0.0078 0.0036 512 HIS A CG 4171 N ND1 . HIS A 512 ? 0.1904 0.2689 0.2444 -0.0195 0.0089 0.0022 512 HIS A ND1 4172 C CD2 . HIS A 512 ? 0.1821 0.2642 0.2373 -0.0213 0.0078 0.0044 512 HIS A CD2 4173 C CE1 . HIS A 512 ? 0.1944 0.2725 0.2510 -0.0194 0.0098 0.0023 512 HIS A CE1 4174 N NE2 . HIS A 512 ? 0.1835 0.2638 0.2413 -0.0205 0.0091 0.0036 512 HIS A NE2 4175 N N . GLU A 513 ? 0.1793 0.2665 0.2354 -0.0225 0.0044 0.0093 513 GLU A N 4176 C CA . GLU A 513 ? 0.1915 0.2810 0.2511 -0.0229 0.0033 0.0121 513 GLU A CA 4177 C C . GLU A 513 ? 0.1834 0.2729 0.2468 -0.0225 0.0033 0.0137 513 GLU A C 4178 O O . GLU A 513 ? 0.1767 0.2669 0.2451 -0.0224 0.0029 0.0153 513 GLU A O 4179 C CB . GLU A 513 ? 0.2081 0.2997 0.2641 -0.0238 0.0022 0.0135 513 GLU A CB 4180 C CG . GLU A 513 ? 0.2283 0.3223 0.2872 -0.0240 0.0007 0.0165 513 GLU A CG 4181 C CD . GLU A 513 ? 0.2414 0.3374 0.2961 -0.0247 -0.0005 0.0177 513 GLU A CD 4182 O OE1 . GLU A 513 ? 0.2392 0.3351 0.2899 -0.0249 0.0000 0.0176 513 GLU A OE1 4183 O OE2 . GLU A 513 ? 0.2690 0.3667 0.3244 -0.0250 -0.0020 0.0187 513 GLU A OE2 4184 N N . ALA A 514 ? 0.1803 0.2692 0.2421 -0.0224 0.0038 0.0132 514 ALA A N 4185 C CA . ALA A 514 ? 0.1827 0.2716 0.2489 -0.0220 0.0040 0.0145 514 ALA A CA 4186 C C . ALA A 514 ? 0.1822 0.2695 0.2531 -0.0212 0.0045 0.0131 514 ALA A C 4187 O O . ALA A 514 ? 0.1765 0.2642 0.2528 -0.0210 0.0045 0.0147 514 ALA A O 4188 C CB . ALA A 514 ? 0.1828 0.2713 0.2468 -0.0221 0.0046 0.0140 514 ALA A CB 4189 N N . LEU A 515 ? 0.1831 0.2682 0.2518 -0.0206 0.0050 0.0101 515 LEU A N 4190 C CA . LEU A 515 ? 0.1866 0.2699 0.2587 -0.0197 0.0055 0.0083 515 LEU A CA 4191 C C . LEU A 515 ? 0.1938 0.2773 0.2695 -0.0196 0.0057 0.0091 515 LEU A C 4192 O O . LEU A 515 ? 0.1890 0.2721 0.2699 -0.0192 0.0059 0.0092 515 LEU A O 4193 C CB . LEU A 515 ? 0.1843 0.2651 0.2520 -0.0188 0.0060 0.0050 515 LEU A CB 4194 C CG . LEU A 515 ? 0.1865 0.2668 0.2517 -0.0186 0.0058 0.0037 515 LEU A CG 4195 C CD1 . LEU A 515 ? 0.1913 0.2691 0.2516 -0.0177 0.0061 0.0007 515 LEU A CD1 4196 C CD2 . LEU A 515 ? 0.1871 0.2674 0.2575 -0.0183 0.0055 0.0036 515 LEU A CD2 4197 N N . CYS A 516 ? 0.2024 0.2867 0.2758 -0.0202 0.0055 0.0097 516 CYS A N 4198 C CA . CYS A 516 ? 0.2234 0.3083 0.3008 -0.0203 0.0055 0.0108 516 CYS A CA 4199 C C . CYS A 516 ? 0.2294 0.3165 0.3124 -0.0206 0.0046 0.0139 516 CYS A C 4200 O O . CYS A 516 ? 0.2336 0.3204 0.3220 -0.0202 0.0049 0.0143 516 CYS A O 4201 C CB . CYS A 516 ? 0.2251 0.3108 0.2995 -0.0209 0.0054 0.0107 516 CYS A CB 4202 S SG . CYS A 516 ? 0.2506 0.3331 0.3199 -0.0202 0.0071 0.0072 516 CYS A SG 4203 N N . LYS A 517 ? 0.2368 0.3258 0.3184 -0.0211 0.0037 0.0161 517 LYS A N 4204 C CA . LYS A 517 ? 0.2612 0.3519 0.3474 -0.0213 0.0029 0.0194 517 LYS A CA 4205 C C . LYS A 517 ? 0.2628 0.3524 0.3542 -0.0206 0.0038 0.0191 517 LYS A C 4206 O O . LYS A 517 ? 0.2549 0.3449 0.3524 -0.0204 0.0037 0.0206 517 LYS A O 4207 C CB . LYS A 517 ? 0.2841 0.3766 0.3666 -0.0218 0.0021 0.0217 517 LYS A CB 4208 C CG . LYS A 517 ? 0.3266 0.4207 0.4132 -0.0217 0.0014 0.0255 517 LYS A CG 4209 C CD . LYS A 517 ? 0.3711 0.4663 0.4533 -0.0221 0.0012 0.0275 517 LYS A CD 4210 C CE . LYS A 517 ? 0.4076 0.5039 0.4938 -0.0218 0.0011 0.0314 517 LYS A CE 4211 N NZ . LYS A 517 ? 0.4541 0.5508 0.5362 -0.0219 0.0016 0.0332 517 LYS A NZ 4212 N N . GLU A 518 ? 0.2615 0.3497 0.3509 -0.0204 0.0044 0.0171 518 GLU A N 4213 C CA . GLU A 518 ? 0.2834 0.3705 0.3778 -0.0198 0.0051 0.0163 518 GLU A CA 4214 C C . GLU A 518 ? 0.2835 0.3690 0.3818 -0.0191 0.0056 0.0144 518 GLU A C 4215 O O . GLU A 518 ? 0.3030 0.3886 0.4078 -0.0188 0.0059 0.0151 518 GLU A O 4216 C CB . GLU A 518 ? 0.2847 0.3705 0.3760 -0.0195 0.0054 0.0139 518 GLU A CB 4217 C CG . GLU A 518 ? 0.3149 0.3997 0.4118 -0.0189 0.0058 0.0128 518 GLU A CG 4218 C CD . GLU A 518 ? 0.3401 0.4265 0.4418 -0.0193 0.0061 0.0161 518 GLU A CD 4219 O OE1 . GLU A 518 ? 0.3522 0.4402 0.4514 -0.0199 0.0059 0.0191 518 GLU A OE1 4220 O OE2 . GLU A 518 ? 0.3516 0.4375 0.4595 -0.0189 0.0065 0.0157 518 GLU A OE2 4221 N N . ALA A 519 ? 0.2760 0.3602 0.3705 -0.0189 0.0060 0.0121 519 ALA A N 4222 C CA . ALA A 519 ? 0.2747 0.3572 0.3719 -0.0182 0.0068 0.0102 519 ALA A CA 4223 C C . ALA A 519 ? 0.2846 0.3684 0.3879 -0.0185 0.0068 0.0126 519 ALA A C 4224 O O . ALA A 519 ? 0.2888 0.3713 0.3956 -0.0179 0.0078 0.0113 519 ALA A O 4225 C CB . ALA A 519 ? 0.2539 0.3346 0.3452 -0.0178 0.0076 0.0077 519 ALA A CB 4226 N N . GLY A 520 ? 0.2891 0.3754 0.3935 -0.0192 0.0057 0.0160 520 GLY A N 4227 C CA . GLY A 520 ? 0.2992 0.3870 0.4093 -0.0194 0.0053 0.0186 520 GLY A CA 4228 C C . GLY A 520 ? 0.3113 0.3993 0.4201 -0.0196 0.0052 0.0181 520 GLY A C 4229 O O . GLY A 520 ? 0.3143 0.4030 0.4285 -0.0196 0.0051 0.0194 520 GLY A O 4230 N N . TYR A 521 ? 0.3129 0.4001 0.4151 -0.0198 0.0054 0.0162 521 TYR A N 4231 C CA . TYR A 521 ? 0.3308 0.4180 0.4319 -0.0201 0.0056 0.0156 521 TYR A CA 4232 C C . TYR A 521 ? 0.3519 0.4421 0.4535 -0.0208 0.0036 0.0185 521 TYR A C 4233 O O . TYR A 521 ? 0.3364 0.4282 0.4349 -0.0212 0.0023 0.0201 521 TYR A O 4234 C CB . TYR A 521 ? 0.3331 0.4184 0.4274 -0.0199 0.0066 0.0128 521 TYR A CB 4235 C CG . TYR A 521 ? 0.3291 0.4145 0.4223 -0.0203 0.0069 0.0122 521 TYR A CG 4236 C CD1 . TYR A 521 ? 0.3366 0.4203 0.4328 -0.0198 0.0087 0.0109 521 TYR A CD1 4237 C CD2 . TYR A 521 ? 0.3286 0.4157 0.4178 -0.0210 0.0057 0.0128 521 TYR A CD2 4238 C CE1 . TYR A 521 ? 0.3313 0.4150 0.4272 -0.0202 0.0092 0.0104 521 TYR A CE1 4239 C CE2 . TYR A 521 ? 0.3252 0.4124 0.4141 -0.0214 0.0060 0.0121 521 TYR A CE2 4240 C CZ . TYR A 521 ? 0.3240 0.4096 0.4165 -0.0210 0.0078 0.0109 521 TYR A CZ 4241 O OH . TYR A 521 ? 0.3218 0.4074 0.4147 -0.0214 0.0083 0.0102 521 TYR A OH 4242 N N . GLU A 522 ? 0.3806 0.4716 0.4861 -0.0210 0.0033 0.0190 522 GLU A N 4243 C CA . GLU A 522 ? 0.4312 0.5251 0.5388 -0.0215 0.0010 0.0217 522 GLU A CA 4244 C C . GLU A 522 ? 0.4146 0.5093 0.5205 -0.0220 0.0003 0.0208 522 GLU A C 4245 O O . GLU A 522 ? 0.4677 0.5649 0.5738 -0.0225 -0.0019 0.0226 522 GLU A O 4246 C CB . GLU A 522 ? 0.4640 0.5589 0.5800 -0.0212 0.0005 0.0238 522 GLU A CB 4247 C CG . GLU A 522 ? 0.5368 0.6309 0.6563 -0.0207 0.0013 0.0248 522 GLU A CG 4248 C CD . GLU A 522 ? 0.5822 0.6782 0.7008 -0.0208 -0.0003 0.0281 522 GLU A CD 4249 O OE1 . GLU A 522 ? 0.6220 0.7181 0.7342 -0.0210 -0.0005 0.0279 522 GLU A OE1 4250 O OE2 . GLU A 522 ? 0.5890 0.6864 0.7134 -0.0205 -0.0011 0.0310 522 GLU A OE2 4251 N N . GLY A 523 ? 0.3959 0.4884 0.5001 -0.0219 0.0023 0.0179 523 GLY A N 4252 C CA . GLY A 523 ? 0.3582 0.4512 0.4619 -0.0224 0.0022 0.0168 523 GLY A CA 4253 C C . GLY A 523 ? 0.3347 0.4281 0.4311 -0.0230 0.0015 0.0158 523 GLY A C 4254 O O . GLY A 523 ? 0.3387 0.4327 0.4306 -0.0231 0.0006 0.0165 523 GLY A O 4255 N N . PRO A 524 ? 0.3166 0.4098 0.4125 -0.0233 0.0021 0.0140 524 PRO A N 4256 C CA . PRO A 524 ? 0.3004 0.3938 0.3900 -0.0238 0.0018 0.0127 524 PRO A CA 4257 C C . PRO A 524 ? 0.2757 0.3667 0.3592 -0.0234 0.0035 0.0113 524 PRO A C 4258 O O . PRO A 524 ? 0.2559 0.3442 0.3398 -0.0227 0.0058 0.0101 524 PRO A O 4259 C CB . PRO A 524 ? 0.2952 0.3878 0.3874 -0.0240 0.0031 0.0109 524 PRO A CB 4260 C CG . PRO A 524 ? 0.3037 0.3970 0.4040 -0.0239 0.0030 0.0119 524 PRO A CG 4261 C CD . PRO A 524 ? 0.3037 0.3960 0.4055 -0.0232 0.0035 0.0132 524 PRO A CD 4262 N N . LEU A 525 ? 0.2668 0.3587 0.3447 -0.0238 0.0025 0.0114 525 LEU A N 4263 C CA . LEU A 525 ? 0.2463 0.3362 0.3188 -0.0234 0.0037 0.0102 525 LEU A CA 4264 C C . LEU A 525 ? 0.2296 0.3165 0.2998 -0.0229 0.0063 0.0076 525 LEU A C 4265 O O . LEU A 525 ? 0.2300 0.3146 0.2981 -0.0221 0.0077 0.0066 525 LEU A O 4266 C CB . LEU A 525 ? 0.2468 0.3383 0.3141 -0.0241 0.0023 0.0106 525 LEU A CB 4267 C CG . LEU A 525 ? 0.2549 0.3448 0.3170 -0.0237 0.0034 0.0096 525 LEU A CG 4268 C CD1 . LEU A 525 ? 0.2509 0.3399 0.3151 -0.0231 0.0037 0.0104 525 LEU A CD1 4269 C CD2 . LEU A 525 ? 0.2523 0.3439 0.3099 -0.0245 0.0021 0.0101 525 LEU A CD2 4270 N N . HIS A 526 ? 0.2246 0.3113 0.2954 -0.0232 0.0070 0.0066 526 HIS A N 4271 C CA . HIS A 526 ? 0.2233 0.3069 0.2916 -0.0226 0.0097 0.0044 526 HIS A CA 4272 C C . HIS A 526 ? 0.2239 0.3049 0.2955 -0.0216 0.0120 0.0039 526 HIS A C 4273 O O . HIS A 526 ? 0.2261 0.3041 0.2953 -0.0208 0.0145 0.0023 526 HIS A O 4274 C CB . HIS A 526 ? 0.2277 0.3118 0.2959 -0.0233 0.0100 0.0035 526 HIS A CB 4275 C CG . HIS A 526 ? 0.2331 0.3190 0.3079 -0.0238 0.0093 0.0041 526 HIS A CG 4276 N ND1 . HIS A 526 ? 0.2361 0.3255 0.3135 -0.0246 0.0062 0.0057 526 HIS A ND1 4277 C CD2 . HIS A 526 ? 0.2298 0.3144 0.3094 -0.0236 0.0112 0.0035 526 HIS A CD2 4278 C CE1 . HIS A 526 ? 0.2447 0.3350 0.3285 -0.0249 0.0060 0.0059 526 HIS A CE1 4279 N NE2 . HIS A 526 ? 0.2439 0.3314 0.3295 -0.0243 0.0091 0.0045 526 HIS A NE2 4280 N N . GLN A 527 ? 0.2182 0.3002 0.2950 -0.0215 0.0112 0.0053 527 GLN A N 4281 C CA . GLN A 527 ? 0.2335 0.3131 0.3137 -0.0206 0.0134 0.0046 527 GLN A CA 4282 C C . GLN A 527 ? 0.2297 0.3083 0.3093 -0.0198 0.0133 0.0047 527 GLN A C 4283 O O . GLN A 527 ? 0.2428 0.3193 0.3247 -0.0190 0.0150 0.0040 527 GLN A O 4284 C CB . GLN A 527 ? 0.2422 0.3233 0.3301 -0.0210 0.0132 0.0057 527 GLN A CB 4285 C CG . GLN A 527 ? 0.2702 0.3516 0.3598 -0.0216 0.0139 0.0051 527 GLN A CG 4286 C CD . GLN A 527 ? 0.2989 0.3820 0.3970 -0.0220 0.0135 0.0060 527 GLN A CD 4287 O OE1 . GLN A 527 ? 0.3108 0.3959 0.4131 -0.0222 0.0114 0.0078 527 GLN A OE1 4288 N NE2 . GLN A 527 ? 0.3164 0.3983 0.4173 -0.0221 0.0155 0.0050 527 GLN A NE2 4289 N N . CYS A 528 ? 0.2232 0.3031 0.2998 -0.0201 0.0115 0.0054 528 CYS A N 4290 C CA . CYS A 528 ? 0.2244 0.3036 0.3010 -0.0195 0.0112 0.0053 528 CYS A CA 4291 C C . CYS A 528 ? 0.2172 0.2929 0.2892 -0.0182 0.0130 0.0028 528 CYS A C 4292 O O . CYS A 528 ? 0.2047 0.2791 0.2713 -0.0180 0.0137 0.0016 528 CYS A O 4293 C CB . CYS A 528 ? 0.2262 0.3077 0.3008 -0.0201 0.0091 0.0066 528 CYS A CB 4294 S SG . CYS A 528 ? 0.2560 0.3365 0.3304 -0.0193 0.0088 0.0062 528 CYS A SG 4295 N N . ASP A 529 ? 0.2111 0.2851 0.2853 -0.0173 0.0137 0.0021 529 ASP A N 4296 C CA . ASP A 529 ? 0.2090 0.2798 0.2789 -0.0159 0.0149 -0.0003 529 ASP A CA 4297 C C . ASP A 529 ? 0.2045 0.2758 0.2767 -0.0156 0.0136 -0.0003 529 ASP A C 4298 O O . ASP A 529 ? 0.1980 0.2698 0.2760 -0.0156 0.0136 0.0002 529 ASP A O 4299 C CB . ASP A 529 ? 0.2115 0.2793 0.2819 -0.0148 0.0176 -0.0017 529 ASP A CB 4300 C CG . ASP A 529 ? 0.2154 0.2796 0.2809 -0.0131 0.0187 -0.0043 529 ASP A CG 4301 O OD1 . ASP A 529 ? 0.2141 0.2780 0.2752 -0.0127 0.0174 -0.0052 529 ASP A OD1 4302 O OD2 . ASP A 529 ? 0.2170 0.2785 0.2828 -0.0120 0.0209 -0.0055 529 ASP A OD2 4303 N N . ILE A 530 ? 0.2018 0.2730 0.2703 -0.0154 0.0125 -0.0011 530 ILE A N 4304 C CA . ILE A 530 ? 0.1991 0.2708 0.2705 -0.0152 0.0112 -0.0013 530 ILE A CA 4305 C C . ILE A 530 ? 0.1964 0.2653 0.2674 -0.0136 0.0119 -0.0041 530 ILE A C 4306 O O . ILE A 530 ? 0.1845 0.2535 0.2582 -0.0133 0.0109 -0.0047 530 ILE A O 4307 C CB . ILE A 530 ? 0.2025 0.2757 0.2715 -0.0157 0.0097 -0.0008 530 ILE A CB 4308 C CG1 . ILE A 530 ? 0.2049 0.2759 0.2670 -0.0148 0.0099 -0.0031 530 ILE A CG1 4309 C CG2 . ILE A 530 ? 0.2036 0.2799 0.2735 -0.0171 0.0088 0.0019 530 ILE A CG2 4310 C CD1 . ILE A 530 ? 0.2169 0.2888 0.2779 -0.0149 0.0084 -0.0034 530 ILE A CD1 4311 N N . TYR A 531 ? 0.1900 0.2560 0.2574 -0.0125 0.0137 -0.0058 531 TYR A N 4312 C CA . TYR A 531 ? 0.1914 0.2542 0.2573 -0.0109 0.0145 -0.0086 531 TYR A CA 4313 C C . TYR A 531 ? 0.1862 0.2496 0.2589 -0.0108 0.0140 -0.0088 531 TYR A C 4314 O O . TYR A 531 ? 0.1798 0.2448 0.2585 -0.0116 0.0145 -0.0070 531 TYR A O 4315 C CB . TYR A 531 ? 0.1980 0.2580 0.2611 -0.0100 0.0171 -0.0094 531 TYR A CB 4316 C CG . TYR A 531 ? 0.2081 0.2643 0.2675 -0.0080 0.0183 -0.0124 531 TYR A CG 4317 C CD1 . TYR A 531 ? 0.2124 0.2666 0.2655 -0.0066 0.0172 -0.0147 531 TYR A CD1 4318 C CD2 . TYR A 531 ? 0.2114 0.2658 0.2732 -0.0073 0.0206 -0.0130 531 TYR A CD2 4319 C CE1 . TYR A 531 ? 0.2150 0.2655 0.2638 -0.0045 0.0182 -0.0175 531 TYR A CE1 4320 C CE2 . TYR A 531 ? 0.2232 0.2737 0.2808 -0.0054 0.0219 -0.0159 531 TYR A CE2 4321 C CZ . TYR A 531 ? 0.2243 0.2729 0.2750 -0.0039 0.0205 -0.0181 531 TYR A CZ 4322 O OH . TYR A 531 ? 0.2340 0.2787 0.2798 -0.0018 0.0215 -0.0209 531 TYR A OH 4323 N N . ARG A 532 ? 0.1853 0.2476 0.2575 -0.0097 0.0130 -0.0112 532 ARG A N 4324 C CA . ARG A 532 ? 0.1954 0.2579 0.2743 -0.0095 0.0126 -0.0119 532 ARG A CA 4325 C C . ARG A 532 ? 0.1978 0.2639 0.2840 -0.0110 0.0113 -0.0091 532 ARG A C 4326 O O . ARG A 532 ? 0.1964 0.2630 0.2893 -0.0111 0.0112 -0.0091 532 ARG A O 4327 C CB . ARG A 532 ? 0.2038 0.2645 0.2851 -0.0090 0.0147 -0.0126 532 ARG A CB 4328 C CG . ARG A 532 ? 0.2089 0.2656 0.2836 -0.0070 0.0161 -0.0158 532 ARG A CG 4329 C CD . ARG A 532 ? 0.2079 0.2626 0.2848 -0.0065 0.0187 -0.0164 532 ARG A CD 4330 N NE . ARG A 532 ? 0.2143 0.2648 0.2839 -0.0044 0.0200 -0.0197 532 ARG A NE 4331 C CZ . ARG A 532 ? 0.2255 0.2732 0.2934 -0.0035 0.0229 -0.0205 532 ARG A CZ 4332 N NH1 . ARG A 532 ? 0.2177 0.2664 0.2912 -0.0045 0.0249 -0.0184 532 ARG A NH1 4333 N NH2 . ARG A 532 ? 0.2361 0.2799 0.2965 -0.0014 0.0239 -0.0234 532 ARG A NH2 4334 N N . SER A 533 ? 0.2018 0.2700 0.2865 -0.0122 0.0104 -0.0068 533 SER A N 4335 C CA . SER A 533 ? 0.2020 0.2733 0.2928 -0.0134 0.0093 -0.0041 533 SER A CA 4336 C C . SER A 533 ? 0.2063 0.2776 0.2975 -0.0130 0.0080 -0.0054 533 SER A C 4337 O O . SER A 533 ? 0.1970 0.2686 0.2836 -0.0132 0.0072 -0.0057 533 SER A O 4338 C CB . SER A 533 ? 0.1999 0.2735 0.2888 -0.0147 0.0090 -0.0010 533 SER A CB 4339 O OG . SER A 533 ? 0.1916 0.2678 0.2852 -0.0156 0.0081 0.0017 533 SER A OG 4340 N N . THR A 534 ? 0.2135 0.2848 0.3111 -0.0127 0.0077 -0.0064 534 THR A N 4341 C CA . THR A 534 ? 0.2275 0.2988 0.3269 -0.0123 0.0065 -0.0080 534 THR A CA 4342 C C . THR A 534 ? 0.2376 0.3117 0.3400 -0.0136 0.0060 -0.0046 534 THR A C 4343 O O . THR A 534 ? 0.2437 0.3181 0.3455 -0.0136 0.0052 -0.0054 534 THR A O 4344 C CB . THR A 534 ? 0.2317 0.3019 0.3373 -0.0115 0.0063 -0.0104 534 THR A CB 4345 O OG1 . THR A 534 ? 0.2324 0.3042 0.3459 -0.0123 0.0071 -0.0078 534 THR A OG1 4346 C CG2 . THR A 534 ? 0.2325 0.2997 0.3340 -0.0100 0.0069 -0.0139 534 THR A CG2 4347 N N . LYS A 535 ? 0.2393 0.3153 0.3446 -0.0147 0.0066 -0.0009 535 LYS A N 4348 C CA . LYS A 535 ? 0.2483 0.3268 0.3547 -0.0158 0.0063 0.0025 535 LYS A CA 4349 C C . LYS A 535 ? 0.2352 0.3140 0.3339 -0.0162 0.0060 0.0028 535 LYS A C 4350 O O . LYS A 535 ? 0.2188 0.2985 0.3170 -0.0166 0.0057 0.0035 535 LYS A O 4351 C CB . LYS A 535 ? 0.2816 0.3620 0.3922 -0.0166 0.0068 0.0064 535 LYS A CB 4352 C CG . LYS A 535 ? 0.3247 0.4053 0.4442 -0.0164 0.0072 0.0071 535 LYS A CG 4353 C CD . LYS A 535 ? 0.3679 0.4509 0.4920 -0.0172 0.0073 0.0116 535 LYS A CD 4354 C CE . LYS A 535 ? 0.3861 0.4705 0.5098 -0.0177 0.0072 0.0148 535 LYS A CE 4355 N NZ . LYS A 535 ? 0.4178 0.5045 0.5431 -0.0183 0.0069 0.0192 535 LYS A NZ 4356 N N . ALA A 536 ? 0.2184 0.2964 0.3115 -0.0161 0.0063 0.0021 536 ALA A N 4357 C CA . ALA A 536 ? 0.2115 0.2895 0.2973 -0.0164 0.0060 0.0018 536 ALA A CA 4358 C C . ALA A 536 ? 0.2076 0.2840 0.2908 -0.0155 0.0055 -0.0012 536 ALA A C 4359 O O . ALA A 536 ? 0.2057 0.2827 0.2859 -0.0159 0.0051 -0.0009 536 ALA A O 4360 C CB . ALA A 536 ? 0.2101 0.2871 0.2912 -0.0163 0.0067 0.0013 536 ALA A CB 4361 N N . GLY A 537 ? 0.2016 0.2759 0.2858 -0.0143 0.0053 -0.0041 537 GLY A N 4362 C CA . GLY A 537 ? 0.2066 0.2793 0.2886 -0.0133 0.0044 -0.0073 537 GLY A CA 4363 C C . GLY A 537 ? 0.2052 0.2792 0.2919 -0.0137 0.0036 -0.0069 537 GLY A C 4364 O O . GLY A 537 ? 0.2061 0.2798 0.2899 -0.0135 0.0029 -0.0081 537 GLY A O 4365 N N . ALA A 538 ? 0.2033 0.2787 0.2974 -0.0142 0.0039 -0.0051 538 ALA A N 4366 C CA . ALA A 538 ? 0.2128 0.2895 0.3125 -0.0147 0.0037 -0.0044 538 ALA A CA 4367 C C . ALA A 538 ? 0.2089 0.2872 0.3058 -0.0157 0.0041 -0.0016 538 ALA A C 4368 O O . ALA A 538 ? 0.2124 0.2909 0.3102 -0.0158 0.0039 -0.0022 538 ALA A O 4369 C CB . ALA A 538 ? 0.2077 0.2854 0.3162 -0.0149 0.0043 -0.0027 538 ALA A CB 4370 N N . LYS A 539 ? 0.2099 0.2894 0.3035 -0.0166 0.0048 0.0011 539 LYS A N 4371 C CA . LYS A 539 ? 0.2176 0.2985 0.3073 -0.0175 0.0051 0.0035 539 LYS A CA 4372 C C . LYS A 539 ? 0.2175 0.2974 0.3006 -0.0173 0.0047 0.0012 539 LYS A C 4373 O O . LYS A 539 ? 0.2084 0.2889 0.2905 -0.0177 0.0049 0.0017 539 LYS A O 4374 C CB . LYS A 539 ? 0.2345 0.3167 0.3220 -0.0183 0.0055 0.0064 539 LYS A CB 4375 C CG . LYS A 539 ? 0.2656 0.3496 0.3499 -0.0193 0.0058 0.0093 539 LYS A CG 4376 C CD . LYS A 539 ? 0.2700 0.3553 0.3532 -0.0199 0.0057 0.0119 539 LYS A CD 4377 C CE . LYS A 539 ? 0.2893 0.3765 0.3698 -0.0207 0.0059 0.0150 539 LYS A CE 4378 N NZ . LYS A 539 ? 0.2702 0.3580 0.3548 -0.0208 0.0067 0.0170 539 LYS A NZ 4379 N N . LEU A 540 ? 0.2090 0.2873 0.2875 -0.0166 0.0043 -0.0010 540 LEU A N 4380 C CA . LEU A 540 ? 0.2147 0.2916 0.2873 -0.0160 0.0039 -0.0033 540 LEU A CA 4381 C C . LEU A 540 ? 0.2217 0.2977 0.2967 -0.0152 0.0029 -0.0058 540 LEU A C 4382 O O . LEU A 540 ? 0.2171 0.2931 0.2896 -0.0153 0.0027 -0.0064 540 LEU A O 4383 C CB . LEU A 540 ? 0.2186 0.2936 0.2862 -0.0152 0.0039 -0.0050 540 LEU A CB 4384 C CG . LEU A 540 ? 0.2352 0.3086 0.2958 -0.0146 0.0038 -0.0068 540 LEU A CG 4385 C CD1 . LEU A 540 ? 0.2279 0.3029 0.2856 -0.0158 0.0042 -0.0050 540 LEU A CD1 4386 C CD2 . LEU A 540 ? 0.2390 0.3106 0.2956 -0.0139 0.0044 -0.0078 540 LEU A CD2 4387 N N . ARG A 541 ? 0.2301 0.3054 0.3104 -0.0144 0.0023 -0.0074 541 ARG A N 4388 C CA . ARG A 541 ? 0.2548 0.3292 0.3382 -0.0135 0.0011 -0.0103 541 ARG A CA 4389 C C . ARG A 541 ? 0.2623 0.3383 0.3497 -0.0144 0.0014 -0.0088 541 ARG A C 4390 O O . ARG A 541 ? 0.2666 0.3422 0.3536 -0.0140 0.0006 -0.0108 541 ARG A O 4391 C CB . ARG A 541 ? 0.2690 0.3426 0.3583 -0.0127 0.0004 -0.0121 541 ARG A CB 4392 C CG . ARG A 541 ? 0.3017 0.3740 0.3934 -0.0114 -0.0013 -0.0161 541 ARG A CG 4393 C CD . ARG A 541 ? 0.3199 0.3909 0.4152 -0.0102 -0.0020 -0.0186 541 ARG A CD 4394 N NE . ARG A 541 ? 0.3573 0.4298 0.4607 -0.0111 -0.0009 -0.0165 541 ARG A NE 4395 C CZ . ARG A 541 ? 0.3792 0.4516 0.4840 -0.0112 0.0000 -0.0156 541 ARG A CZ 4396 N NH1 . ARG A 541 ? 0.3820 0.4527 0.4807 -0.0105 0.0001 -0.0167 541 ARG A NH1 4397 N NH2 . ARG A 541 ? 0.3877 0.4615 0.5005 -0.0120 0.0009 -0.0134 541 ARG A NH2 4398 N N . LYS A 542 ? 0.2809 0.3588 0.3720 -0.0156 0.0028 -0.0053 542 LYS A N 4399 C CA . LYS A 542 ? 0.3042 0.3835 0.3987 -0.0165 0.0038 -0.0033 542 LYS A CA 4400 C C . LYS A 542 ? 0.2935 0.3730 0.3819 -0.0169 0.0040 -0.0032 542 LYS A C 4401 O O . LYS A 542 ? 0.2974 0.3770 0.3881 -0.0170 0.0042 -0.0038 542 LYS A O 4402 C CB . LYS A 542 ? 0.3331 0.4141 0.4310 -0.0175 0.0053 0.0007 542 LYS A CB 4403 C CG . LYS A 542 ? 0.3793 0.4604 0.4859 -0.0172 0.0055 0.0009 542 LYS A CG 4404 C CD . LYS A 542 ? 0.4206 0.5032 0.5303 -0.0181 0.0071 0.0055 542 LYS A CD 4405 C CE . LYS A 542 ? 0.4484 0.5311 0.5653 -0.0178 0.0072 0.0061 542 LYS A CE 4406 N NZ . LYS A 542 ? 0.4907 0.5748 0.6088 -0.0185 0.0085 0.0107 542 LYS A NZ 4407 N N . VAL A 543 ? 0.2816 0.3609 0.3627 -0.0172 0.0042 -0.0025 543 VAL A N 4408 C CA . VAL A 543 ? 0.2718 0.3511 0.3470 -0.0175 0.0043 -0.0028 543 VAL A CA 4409 C C . VAL A 543 ? 0.2586 0.3362 0.3326 -0.0163 0.0029 -0.0065 543 VAL A C 4410 O O . VAL A 543 ? 0.2561 0.3338 0.3304 -0.0165 0.0030 -0.0072 543 VAL A O 4411 C CB . VAL A 543 ? 0.2674 0.3468 0.3359 -0.0179 0.0046 -0.0018 543 VAL A CB 4412 C CG1 . VAL A 543 ? 0.2680 0.3471 0.3306 -0.0181 0.0048 -0.0027 543 VAL A CG1 4413 C CG2 . VAL A 543 ? 0.2735 0.3548 0.3427 -0.0191 0.0056 0.0017 543 VAL A CG2 4414 N N . LEU A 544 ? 0.2360 0.3119 0.3089 -0.0151 0.0017 -0.0090 544 LEU A N 4415 C CA . LEU A 544 ? 0.2331 0.3072 0.3037 -0.0137 0.0001 -0.0124 544 LEU A CA 4416 C C . LEU A 544 ? 0.2370 0.3112 0.3140 -0.0132 -0.0009 -0.0142 544 LEU A C 4417 O O . LEU A 544 ? 0.2279 0.3015 0.3038 -0.0127 -0.0018 -0.0159 544 LEU A O 4418 C CB . LEU A 544 ? 0.2268 0.2988 0.2945 -0.0123 -0.0008 -0.0145 544 LEU A CB 4419 C CG . LEU A 544 ? 0.2243 0.2960 0.2862 -0.0127 0.0003 -0.0129 544 LEU A CG 4420 C CD1 . LEU A 544 ? 0.2338 0.3031 0.2925 -0.0111 -0.0001 -0.0151 544 LEU A CD1 4421 C CD2 . LEU A 544 ? 0.2230 0.2950 0.2793 -0.0132 0.0010 -0.0121 544 LEU A CD2 4422 N N . ARG A 545 ? 0.2478 0.3227 0.3322 -0.0135 -0.0007 -0.0138 545 ARG A N 4423 C CA . ARG A 545 ? 0.2763 0.3513 0.3682 -0.0130 -0.0017 -0.0157 545 ARG A CA 4424 C C . ARG A 545 ? 0.2788 0.3552 0.3738 -0.0141 -0.0003 -0.0140 545 ARG A C 4425 O O . ARG A 545 ? 0.2860 0.3623 0.3865 -0.0137 -0.0011 -0.0159 545 ARG A O 4426 C CB . ARG A 545 ? 0.2966 0.3720 0.3963 -0.0129 -0.0017 -0.0159 545 ARG A CB 4427 C CG . ARG A 545 ? 0.3291 0.4028 0.4272 -0.0114 -0.0035 -0.0189 545 ARG A CG 4428 C CD . ARG A 545 ? 0.3549 0.4287 0.4617 -0.0111 -0.0038 -0.0199 545 ARG A CD 4429 N NE . ARG A 545 ? 0.3793 0.4528 0.4923 -0.0103 -0.0056 -0.0232 545 ARG A NE 4430 C CZ . ARG A 545 ? 0.3872 0.4590 0.4979 -0.0086 -0.0083 -0.0275 545 ARG A CZ 4431 N NH1 . ARG A 545 ? 0.3857 0.4558 0.4875 -0.0075 -0.0092 -0.0287 545 ARG A NH1 4432 N NH2 . ARG A 545 ? 0.3796 0.4515 0.4971 -0.0079 -0.0102 -0.0304 545 ARG A NH2 4433 N N . ALA A 546 ? 0.2788 0.3563 0.3702 -0.0154 0.0016 -0.0106 546 ALA A N 4434 C CA . ALA A 546 ? 0.2861 0.3648 0.3792 -0.0165 0.0033 -0.0087 546 ALA A CA 4435 C C . ALA A 546 ? 0.2887 0.3667 0.3783 -0.0161 0.0026 -0.0107 546 ALA A C 4436 O O . ALA A 546 ? 0.2975 0.3760 0.3910 -0.0165 0.0035 -0.0106 546 ALA A O 4437 C CB . ALA A 546 ? 0.2892 0.3692 0.3784 -0.0178 0.0055 -0.0047 546 ALA A CB 4438 N N . GLY A 547 ? 0.2842 0.3610 0.3669 -0.0153 0.0012 -0.0125 547 GLY A N 4439 C CA . GLY A 547 ? 0.2829 0.3590 0.3616 -0.0150 0.0007 -0.0140 547 GLY A CA 4440 C C . GLY A 547 ? 0.2926 0.3700 0.3698 -0.0165 0.0031 -0.0114 547 GLY A C 4441 O O . GLY A 547 ? 0.2649 0.3432 0.3390 -0.0175 0.0046 -0.0086 547 GLY A O 4442 N N . SER A 548 ? 0.3001 0.3775 0.3795 -0.0166 0.0033 -0.0123 548 SER A N 4443 C CA . SER A 548 ? 0.3212 0.3997 0.3996 -0.0179 0.0059 -0.0101 548 SER A CA 4444 C C . SER A 548 ? 0.3380 0.4174 0.4243 -0.0186 0.0076 -0.0088 548 SER A C 4445 O O . SER A 548 ? 0.3596 0.4395 0.4466 -0.0193 0.0096 -0.0079 548 SER A O 4446 C CB . SER A 548 ? 0.3243 0.4021 0.3986 -0.0178 0.0056 -0.0116 548 SER A CB 4447 O OG . SER A 548 ? 0.3330 0.4101 0.4123 -0.0167 0.0040 -0.0144 548 SER A OG 4448 N N . SER A 549 ? 0.3493 0.4288 0.4417 -0.0182 0.0072 -0.0087 549 SER A N 4449 C CA . SER A 549 ? 0.3640 0.4443 0.4650 -0.0187 0.0090 -0.0074 549 SER A CA 4450 C C . SER A 549 ? 0.3580 0.4393 0.4572 -0.0201 0.0123 -0.0032 549 SER A C 4451 O O . SER A 549 ? 0.3483 0.4299 0.4530 -0.0206 0.0146 -0.0017 549 SER A O 4452 C CB . SER A 549 ? 0.3735 0.4536 0.4818 -0.0180 0.0077 -0.0084 549 SER A CB 4453 O OG . SER A 549 ? 0.3994 0.4799 0.5051 -0.0182 0.0079 -0.0063 549 SER A OG 4454 N N . ARG A 550 ? 0.3461 0.4278 0.4378 -0.0205 0.0125 -0.0013 550 ARG A N 4455 C CA . ARG A 550 ? 0.3411 0.4238 0.4300 -0.0216 0.0151 0.0026 550 ARG A CA 4456 C C . ARG A 550 ? 0.3219 0.4049 0.4013 -0.0222 0.0152 0.0031 550 ARG A C 4457 O O . ARG A 550 ? 0.3228 0.4053 0.3977 -0.0217 0.0132 0.0011 550 ARG A O 4458 C CB . ARG A 550 ? 0.3543 0.4376 0.4451 -0.0215 0.0150 0.0048 550 ARG A CB 4459 C CG . ARG A 550 ? 0.3947 0.4776 0.4952 -0.0209 0.0146 0.0041 550 ARG A CG 4460 C CD . ARG A 550 ? 0.4118 0.4950 0.5134 -0.0206 0.0136 0.0051 550 ARG A CD 4461 N NE . ARG A 550 ? 0.4361 0.5203 0.5347 -0.0213 0.0154 0.0093 550 ARG A NE 4462 C CZ . ARG A 550 ? 0.4476 0.5323 0.5433 -0.0213 0.0145 0.0107 550 ARG A CZ 4463 N NH1 . ARG A 550 ? 0.4502 0.5343 0.5455 -0.0207 0.0122 0.0082 550 ARG A NH1 4464 N NH2 . ARG A 550 ? 0.4472 0.5328 0.5402 -0.0219 0.0159 0.0146 550 ARG A NH2 4465 N N . PRO A 551 ? 0.2982 0.3818 0.3745 -0.0231 0.0177 0.0057 551 PRO A N 4466 C CA . PRO A 551 ? 0.2896 0.3736 0.3572 -0.0237 0.0177 0.0059 551 PRO A CA 4467 C C . PRO A 551 ? 0.2647 0.3491 0.3279 -0.0236 0.0159 0.0063 551 PRO A C 4468 O O . PRO A 551 ? 0.2524 0.3373 0.3180 -0.0234 0.0156 0.0081 551 PRO A O 4469 C CB . PRO A 551 ? 0.3012 0.3859 0.3667 -0.0245 0.0206 0.0090 551 PRO A CB 4470 C CG . PRO A 551 ? 0.3176 0.4022 0.3906 -0.0243 0.0223 0.0109 551 PRO A CG 4471 C CD . PRO A 551 ? 0.3114 0.3954 0.3920 -0.0235 0.0206 0.0083 551 PRO A CD 4472 N N . TRP A 552 ? 0.2495 0.3337 0.3068 -0.0236 0.0148 0.0046 552 TRP A N 4473 C CA . TRP A 552 ? 0.2421 0.3265 0.2958 -0.0235 0.0131 0.0046 552 TRP A CA 4474 C C . TRP A 552 ? 0.2480 0.3338 0.2993 -0.0241 0.0137 0.0078 552 TRP A C 4475 O O . TRP A 552 ? 0.2392 0.3252 0.2906 -0.0239 0.0125 0.0084 552 TRP A O 4476 C CB . TRP A 552 ? 0.2337 0.3174 0.2819 -0.0234 0.0122 0.0023 552 TRP A CB 4477 C CG . TRP A 552 ? 0.2345 0.3189 0.2774 -0.0243 0.0134 0.0028 552 TRP A CG 4478 C CD1 . TRP A 552 ? 0.2346 0.3186 0.2764 -0.0247 0.0146 0.0017 552 TRP A CD1 4479 C CD2 . TRP A 552 ? 0.2271 0.3126 0.2649 -0.0251 0.0135 0.0044 552 TRP A CD2 4480 N NE1 . TRP A 552 ? 0.2320 0.3168 0.2682 -0.0256 0.0155 0.0024 552 TRP A NE1 4481 C CE2 . TRP A 552 ? 0.2324 0.3183 0.2662 -0.0258 0.0147 0.0039 552 TRP A CE2 4482 C CE3 . TRP A 552 ? 0.2291 0.3156 0.2659 -0.0252 0.0125 0.0059 552 TRP A CE3 4483 C CZ2 . TRP A 552 ? 0.2339 0.3209 0.2623 -0.0266 0.0148 0.0048 552 TRP A CZ2 4484 C CZ3 . TRP A 552 ? 0.2324 0.3200 0.2641 -0.0259 0.0125 0.0069 552 TRP A CZ3 4485 C CH2 . TRP A 552 ? 0.2410 0.3289 0.2685 -0.0266 0.0135 0.0062 552 TRP A CH2 4486 N N . GLN A 553 ? 0.2478 0.3343 0.2968 -0.0248 0.0155 0.0098 553 GLN A N 4487 C CA . GLN A 553 ? 0.2609 0.3487 0.3068 -0.0253 0.0158 0.0129 553 GLN A CA 4488 C C . GLN A 553 ? 0.2654 0.3534 0.3168 -0.0248 0.0158 0.0153 553 GLN A C 4489 O O . GLN A 553 ? 0.2693 0.3582 0.3195 -0.0248 0.0150 0.0172 553 GLN A O 4490 C CB . GLN A 553 ? 0.2662 0.3544 0.3082 -0.0259 0.0179 0.0145 553 GLN A CB 4491 C CG . GLN A 553 ? 0.2735 0.3617 0.3095 -0.0265 0.0179 0.0124 553 GLN A CG 4492 C CD . GLN A 553 ? 0.2836 0.3707 0.3216 -0.0264 0.0191 0.0100 553 GLN A CD 4493 O OE1 . GLN A 553 ? 0.2833 0.3696 0.3274 -0.0259 0.0192 0.0093 553 GLN A OE1 4494 N NE2 . GLN A 553 ? 0.2839 0.3710 0.3173 -0.0270 0.0198 0.0087 553 GLN A NE2 4495 N N . GLU A 554 ? 0.2673 0.3546 0.3253 -0.0244 0.0167 0.0149 554 GLU A N 4496 C CA . GLU A 554 ? 0.2752 0.3626 0.3393 -0.0240 0.0170 0.0170 554 GLU A CA 4497 C C . GLU A 554 ? 0.2554 0.3425 0.3226 -0.0234 0.0148 0.0154 554 GLU A C 4498 O O . GLU A 554 ? 0.2485 0.3361 0.3184 -0.0232 0.0145 0.0174 554 GLU A O 4499 C CB . GLU A 554 ? 0.3026 0.3893 0.3735 -0.0238 0.0189 0.0171 554 GLU A CB 4500 C CG . GLU A 554 ? 0.3463 0.4331 0.4152 -0.0243 0.0217 0.0194 554 GLU A CG 4501 C CD . GLU A 554 ? 0.3699 0.4559 0.4466 -0.0241 0.0237 0.0193 554 GLU A CD 4502 O OE1 . GLU A 554 ? 0.3797 0.4654 0.4639 -0.0236 0.0231 0.0188 554 GLU A OE1 4503 O OE2 . GLU A 554 ? 0.3923 0.4779 0.4678 -0.0245 0.0260 0.0195 554 GLU A OE2 4504 N N . VAL A 555 ? 0.2439 0.3301 0.3108 -0.0230 0.0135 0.0118 555 VAL A N 4505 C CA . VAL A 555 ? 0.2475 0.3330 0.3161 -0.0223 0.0116 0.0098 555 VAL A CA 4506 C C . VAL A 555 ? 0.2476 0.3338 0.3115 -0.0226 0.0106 0.0109 555 VAL A C 4507 O O . VAL A 555 ? 0.2475 0.3337 0.3139 -0.0222 0.0098 0.0113 555 VAL A O 4508 C CB . VAL A 555 ? 0.2454 0.3295 0.3132 -0.0217 0.0104 0.0059 555 VAL A CB 4509 C CG1 . VAL A 555 ? 0.2485 0.3317 0.3170 -0.0208 0.0086 0.0039 555 VAL A CG1 4510 C CG2 . VAL A 555 ? 0.2408 0.3243 0.3145 -0.0214 0.0110 0.0046 555 VAL A CG2 4511 N N . LEU A 556 ? 0.2484 0.3352 0.3059 -0.0232 0.0108 0.0111 556 LEU A N 4512 C CA . LEU A 556 ? 0.2445 0.3321 0.2978 -0.0235 0.0099 0.0121 556 LEU A CA 4513 C C . LEU A 556 ? 0.2665 0.3555 0.3217 -0.0237 0.0101 0.0156 556 LEU A C 4514 O O . LEU A 556 ? 0.2590 0.3484 0.3154 -0.0235 0.0090 0.0163 556 LEU A O 4515 C CB . LEU A 556 ? 0.2283 0.3163 0.2750 -0.0242 0.0101 0.0115 556 LEU A CB 4516 C CG . LEU A 556 ? 0.2175 0.3063 0.2603 -0.0245 0.0089 0.0116 556 LEU A CG 4517 C CD1 . LEU A 556 ? 0.2103 0.2979 0.2546 -0.0239 0.0079 0.0096 556 LEU A CD1 4518 C CD2 . LEU A 556 ? 0.2155 0.3047 0.2526 -0.0252 0.0092 0.0105 556 LEU A CD2 4519 N N . LYS A 557 ? 0.2892 0.3786 0.3447 -0.0240 0.0116 0.0180 557 LYS A N 4520 C CA . LYS A 557 ? 0.3282 0.4188 0.3853 -0.0240 0.0119 0.0218 557 LYS A CA 4521 C C . LYS A 557 ? 0.3130 0.4033 0.3770 -0.0234 0.0114 0.0224 557 LYS A C 4522 O O . LYS A 557 ? 0.3138 0.4050 0.3784 -0.0233 0.0105 0.0244 557 LYS A O 4523 C CB . LYS A 557 ? 0.3458 0.4364 0.4028 -0.0241 0.0141 0.0242 557 LYS A CB 4524 C CG . LYS A 557 ? 0.4094 0.5007 0.4686 -0.0238 0.0149 0.0284 557 LYS A CG 4525 C CD . LYS A 557 ? 0.4474 0.5399 0.4996 -0.0241 0.0144 0.0309 557 LYS A CD 4526 C CE . LYS A 557 ? 0.4883 0.5813 0.5425 -0.0236 0.0154 0.0355 557 LYS A CE 4527 N NZ . LYS A 557 ? 0.5156 0.6090 0.5626 -0.0236 0.0164 0.0380 557 LYS A NZ 4528 N N . ASP A 558 ? 0.3152 0.4043 0.3847 -0.0230 0.0118 0.0205 558 ASP A N 4529 C CA . ASP A 558 ? 0.3227 0.4115 0.3992 -0.0224 0.0114 0.0206 558 ASP A CA 4530 C C . ASP A 558 ? 0.3209 0.4095 0.3968 -0.0221 0.0096 0.0190 558 ASP A C 4531 O O . ASP A 558 ? 0.2977 0.3865 0.3781 -0.0218 0.0093 0.0202 558 ASP A O 4532 C CB . ASP A 558 ? 0.3617 0.4492 0.4441 -0.0219 0.0120 0.0182 558 ASP A CB 4533 C CG . ASP A 558 ? 0.3936 0.4813 0.4801 -0.0221 0.0141 0.0204 558 ASP A CG 4534 O OD1 . ASP A 558 ? 0.4107 0.4992 0.4956 -0.0224 0.0154 0.0242 558 ASP A OD1 4535 O OD2 . ASP A 558 ? 0.4210 0.5078 0.5123 -0.0218 0.0146 0.0184 558 ASP A OD2 4536 N N . MET A 559 ? 0.3099 0.3980 0.3807 -0.0222 0.0088 0.0163 559 MET A N 4537 C CA . MET A 559 ? 0.3116 0.3991 0.3816 -0.0218 0.0075 0.0146 559 MET A CA 4538 C C . MET A 559 ? 0.3166 0.4056 0.3836 -0.0223 0.0068 0.0166 559 MET A C 4539 O O . MET A 559 ? 0.3125 0.4015 0.3819 -0.0220 0.0062 0.0168 559 MET A O 4540 C CB . MET A 559 ? 0.3140 0.4001 0.3800 -0.0216 0.0071 0.0110 559 MET A CB 4541 C CG . MET A 559 ? 0.3436 0.4286 0.4099 -0.0209 0.0062 0.0088 559 MET A CG 4542 S SD . MET A 559 ? 0.3898 0.4735 0.4492 -0.0207 0.0060 0.0060 559 MET A SD 4543 C CE . MET A 559 ? 0.3487 0.4306 0.4090 -0.0197 0.0055 0.0039 559 MET A CE 4544 N N . VAL A 560 ? 0.3022 0.3922 0.3641 -0.0229 0.0070 0.0179 560 VAL A N 4545 C CA . VAL A 560 ? 0.3207 0.4119 0.3786 -0.0234 0.0060 0.0187 560 VAL A CA 4546 C C . VAL A 560 ? 0.3244 0.4173 0.3813 -0.0237 0.0059 0.0224 560 VAL A C 4547 O O . VAL A 560 ? 0.3246 0.4188 0.3800 -0.0239 0.0046 0.0236 560 VAL A O 4548 C CB . VAL A 560 ? 0.3271 0.4178 0.3792 -0.0237 0.0060 0.0161 560 VAL A CB 4549 C CG1 . VAL A 560 ? 0.3276 0.4197 0.3744 -0.0245 0.0058 0.0173 560 VAL A CG1 4550 C CG2 . VAL A 560 ? 0.3218 0.4112 0.3737 -0.0234 0.0055 0.0134 560 VAL A CG2 4551 N N . GLY A 561 ? 0.3118 0.4047 0.3695 -0.0237 0.0072 0.0242 561 GLY A N 4552 C CA . GLY A 561 ? 0.3188 0.4130 0.3750 -0.0237 0.0074 0.0281 561 GLY A CA 4553 C C . GLY A 561 ? 0.3312 0.4260 0.3803 -0.0242 0.0077 0.0283 561 GLY A C 4554 O O . GLY A 561 ? 0.3360 0.4318 0.3822 -0.0242 0.0078 0.0313 561 GLY A O 4555 N N . LEU A 562 ? 0.3261 0.4202 0.3719 -0.0246 0.0079 0.0251 562 LEU A N 4556 C CA . LEU A 562 ? 0.3345 0.4290 0.3737 -0.0252 0.0083 0.0247 562 LEU A CA 4557 C C . LEU A 562 ? 0.3255 0.4187 0.3648 -0.0253 0.0099 0.0222 562 LEU A C 4558 O O . LEU A 562 ? 0.3044 0.3964 0.3468 -0.0251 0.0097 0.0197 562 LEU A O 4559 C CB . LEU A 562 ? 0.3634 0.4588 0.3984 -0.0256 0.0065 0.0231 562 LEU A CB 4560 C CG . LEU A 562 ? 0.3947 0.4910 0.4227 -0.0262 0.0064 0.0227 562 LEU A CG 4561 C CD1 . LEU A 562 ? 0.4053 0.5028 0.4302 -0.0260 0.0061 0.0262 562 LEU A CD1 4562 C CD2 . LEU A 562 ? 0.4100 0.5069 0.4357 -0.0266 0.0046 0.0203 562 LEU A CD2 4563 N N . ASP A 563 ? 0.3161 0.4093 0.3517 -0.0256 0.0114 0.0228 563 ASP A N 4564 C CA . ASP A 563 ? 0.3290 0.4209 0.3652 -0.0258 0.0131 0.0206 563 ASP A CA 4565 C C . ASP A 563 ? 0.3097 0.4016 0.3407 -0.0263 0.0128 0.0178 563 ASP A C 4566 O O . ASP A 563 ? 0.3145 0.4056 0.3447 -0.0266 0.0143 0.0165 563 ASP A O 4567 C CB . ASP A 563 ? 0.3607 0.4523 0.3978 -0.0257 0.0155 0.0230 563 ASP A CB 4568 C CG . ASP A 563 ? 0.3958 0.4882 0.4259 -0.0261 0.0163 0.0248 563 ASP A CG 4569 O OD1 . ASP A 563 ? 0.4162 0.5095 0.4409 -0.0264 0.0147 0.0238 563 ASP A OD1 4570 O OD2 . ASP A 563 ? 0.4366 0.5286 0.4667 -0.0259 0.0185 0.0271 563 ASP A OD2 4571 N N . ALA A 564 ? 0.2914 0.3840 0.3194 -0.0266 0.0110 0.0169 564 ALA A N 4572 C CA . ALA A 564 ? 0.2717 0.3642 0.2951 -0.0271 0.0108 0.0143 564 ALA A CA 4573 C C . ALA A 564 ? 0.2598 0.3523 0.2837 -0.0271 0.0092 0.0123 564 ALA A C 4574 O O . ALA A 564 ? 0.2681 0.3610 0.2946 -0.0267 0.0079 0.0133 564 ALA A O 4575 C CB . ALA A 564 ? 0.2734 0.3672 0.2910 -0.0277 0.0109 0.0154 564 ALA A CB 4576 N N . LEU A 565 ? 0.2530 0.3448 0.2745 -0.0273 0.0094 0.0095 565 LEU A N 4577 C CA . LEU A 565 ? 0.2539 0.3455 0.2750 -0.0274 0.0082 0.0078 565 LEU A CA 4578 C C . LEU A 565 ? 0.2654 0.3588 0.2842 -0.0278 0.0068 0.0089 565 LEU A C 4579 O O . LEU A 565 ? 0.2557 0.3503 0.2710 -0.0283 0.0069 0.0099 565 LEU A O 4580 C CB . LEU A 565 ? 0.2613 0.3518 0.2800 -0.0276 0.0089 0.0049 565 LEU A CB 4581 C CG . LEU A 565 ? 0.2598 0.3486 0.2805 -0.0270 0.0100 0.0035 565 LEU A CG 4582 C CD1 . LEU A 565 ? 0.2669 0.3548 0.2848 -0.0273 0.0107 0.0011 565 LEU A CD1 4583 C CD2 . LEU A 565 ? 0.2710 0.3584 0.2953 -0.0260 0.0093 0.0030 565 LEU A CD2 4584 N N . ASP A 566 ? 0.2551 0.3488 0.2762 -0.0276 0.0055 0.0087 566 ASP A N 4585 C CA . ASP A 566 ? 0.2598 0.3554 0.2801 -0.0280 0.0038 0.0099 566 ASP A CA 4586 C C . ASP A 566 ? 0.2452 0.3403 0.2673 -0.0280 0.0031 0.0080 566 ASP A C 4587 O O . ASP A 566 ? 0.2243 0.3181 0.2499 -0.0274 0.0035 0.0076 566 ASP A O 4588 C CB . ASP A 566 ? 0.2815 0.3779 0.3046 -0.0275 0.0031 0.0130 566 ASP A CB 4589 C CG . ASP A 566 ? 0.3246 0.4229 0.3473 -0.0276 0.0010 0.0144 566 ASP A CG 4590 O OD1 . ASP A 566 ? 0.3304 0.4297 0.3507 -0.0282 0.0000 0.0128 566 ASP A OD1 4591 O OD2 . ASP A 566 ? 0.3693 0.4683 0.3947 -0.0272 0.0002 0.0170 566 ASP A OD2 4592 N N . ALA A 567 ? 0.2386 0.3349 0.2585 -0.0286 0.0022 0.0069 567 ALA A N 4593 C CA . ALA A 567 ? 0.2352 0.3313 0.2572 -0.0287 0.0018 0.0052 567 ALA A CA 4594 C C . ALA A 567 ? 0.2326 0.3300 0.2584 -0.0285 0.0001 0.0067 567 ALA A C 4595 O O . ALA A 567 ? 0.2216 0.3185 0.2502 -0.0285 0.0000 0.0055 567 ALA A O 4596 C CB . ALA A 567 ? 0.2429 0.3398 0.2618 -0.0295 0.0015 0.0031 567 ALA A CB 4597 N N . GLN A 568 ? 0.2296 0.3284 0.2555 -0.0283 -0.0010 0.0093 568 GLN A N 4598 C CA . GLN A 568 ? 0.2393 0.3394 0.2690 -0.0281 -0.0029 0.0108 568 GLN A CA 4599 C C . GLN A 568 ? 0.2128 0.3116 0.2481 -0.0276 -0.0022 0.0106 568 GLN A C 4600 O O . GLN A 568 ? 0.2052 0.3046 0.2438 -0.0277 -0.0031 0.0102 568 GLN A O 4601 C CB . GLN A 568 ? 0.2779 0.3795 0.3068 -0.0279 -0.0042 0.0140 568 GLN A CB 4602 C CG . GLN A 568 ? 0.3478 0.4515 0.3795 -0.0277 -0.0067 0.0155 568 GLN A CG 4603 C CD . GLN A 568 ? 0.3769 0.4818 0.4078 -0.0283 -0.0083 0.0133 568 GLN A CD 4604 O OE1 . GLN A 568 ? 0.4054 0.5111 0.4315 -0.0288 -0.0087 0.0121 568 GLN A OE1 4605 N NE2 . GLN A 568 ? 0.3926 0.4979 0.4289 -0.0283 -0.0091 0.0127 568 GLN A NE2 4606 N N . PRO A 569 ? 0.1931 0.2900 0.2296 -0.0270 -0.0005 0.0108 569 PRO A N 4607 C CA . PRO A 569 ? 0.1840 0.2794 0.2251 -0.0264 0.0001 0.0103 569 PRO A CA 4608 C C . PRO A 569 ? 0.1785 0.2725 0.2198 -0.0265 0.0011 0.0077 569 PRO A C 4609 O O . PRO A 569 ? 0.1778 0.2716 0.2230 -0.0263 0.0011 0.0076 569 PRO A O 4610 C CB . PRO A 569 ? 0.1785 0.2721 0.2198 -0.0258 0.0015 0.0104 569 PRO A CB 4611 C CG . PRO A 569 ? 0.1889 0.2839 0.2281 -0.0260 0.0011 0.0125 569 PRO A CG 4612 C CD . PRO A 569 ? 0.1891 0.2854 0.2237 -0.0268 0.0003 0.0118 569 PRO A CD 4613 N N . LEU A 570 ? 0.1710 0.2641 0.2084 -0.0268 0.0021 0.0058 570 LEU A N 4614 C CA . LEU A 570 ? 0.1677 0.2596 0.2052 -0.0268 0.0032 0.0036 570 LEU A CA 4615 C C . LEU A 570 ? 0.1730 0.2667 0.2127 -0.0275 0.0018 0.0034 570 LEU A C 4616 O O . LEU A 570 ? 0.1598 0.2527 0.2029 -0.0273 0.0025 0.0026 570 LEU A O 4617 C CB . LEU A 570 ? 0.1634 0.2542 0.1964 -0.0270 0.0043 0.0018 570 LEU A CB 4618 C CG . LEU A 570 ? 0.1627 0.2517 0.1955 -0.0269 0.0059 -0.0003 570 LEU A CG 4619 C CD1 . LEU A 570 ? 0.1568 0.2442 0.1856 -0.0267 0.0072 -0.0016 570 LEU A CD1 4620 C CD2 . LEU A 570 ? 0.1607 0.2514 0.1943 -0.0278 0.0051 -0.0012 570 LEU A CD2 4621 N N . LEU A 571 ? 0.1774 0.2737 0.2153 -0.0282 0.0000 0.0041 571 LEU A N 4622 C CA . LEU A 571 ? 0.1899 0.2883 0.2299 -0.0287 -0.0019 0.0039 571 LEU A CA 4623 C C . LEU A 571 ? 0.1931 0.2921 0.2388 -0.0284 -0.0029 0.0054 571 LEU A C 4624 O O . LEU A 571 ? 0.1870 0.2865 0.2368 -0.0285 -0.0032 0.0045 571 LEU A O 4625 C CB . LEU A 571 ? 0.1945 0.2954 0.2307 -0.0293 -0.0041 0.0045 571 LEU A CB 4626 C CG . LEU A 571 ? 0.1978 0.2983 0.2286 -0.0298 -0.0033 0.0028 571 LEU A CG 4627 C CD1 . LEU A 571 ? 0.2063 0.3090 0.2328 -0.0302 -0.0052 0.0038 571 LEU A CD1 4628 C CD2 . LEU A 571 ? 0.1988 0.2989 0.2308 -0.0303 -0.0026 0.0000 571 LEU A CD2 4629 N N . LYS A 572 ? 0.2033 0.3025 0.2498 -0.0278 -0.0033 0.0078 572 LYS A N 4630 C CA . LYS A 572 ? 0.2210 0.3208 0.2732 -0.0274 -0.0041 0.0094 572 LYS A CA 4631 C C . LYS A 572 ? 0.2067 0.3042 0.2629 -0.0270 -0.0020 0.0080 572 LYS A C 4632 O O . LYS A 572 ? 0.1984 0.2965 0.2597 -0.0271 -0.0025 0.0080 572 LYS A O 4633 C CB . LYS A 572 ? 0.2625 0.3622 0.3148 -0.0269 -0.0043 0.0120 572 LYS A CB 4634 C CG . LYS A 572 ? 0.3245 0.4251 0.3828 -0.0264 -0.0053 0.0140 572 LYS A CG 4635 C CD . LYS A 572 ? 0.3706 0.4716 0.4287 -0.0260 -0.0057 0.0168 572 LYS A CD 4636 C CE . LYS A 572 ? 0.4220 0.5228 0.4866 -0.0254 -0.0056 0.0184 572 LYS A CE 4637 N NZ . LYS A 572 ? 0.4449 0.5446 0.5096 -0.0249 -0.0045 0.0199 572 LYS A NZ 4638 N N . TYR A 573 ? 0.1823 0.2772 0.2361 -0.0266 0.0003 0.0068 573 TYR A N 4639 C CA . TYR A 573 ? 0.1743 0.2665 0.2305 -0.0259 0.0026 0.0055 573 TYR A CA 4640 C C . TYR A 573 ? 0.1711 0.2631 0.2291 -0.0263 0.0033 0.0038 573 TYR A C 4641 O O . TYR A 573 ? 0.1745 0.2655 0.2371 -0.0260 0.0044 0.0035 573 TYR A O 4642 C CB . TYR A 573 ? 0.1693 0.2589 0.2212 -0.0253 0.0045 0.0044 573 TYR A CB 4643 C CG . TYR A 573 ? 0.1690 0.2554 0.2215 -0.0244 0.0071 0.0029 573 TYR A CG 4644 C CD1 . TYR A 573 ? 0.1658 0.2508 0.2177 -0.0244 0.0087 0.0012 573 TYR A CD1 4645 C CD2 . TYR A 573 ? 0.1614 0.2459 0.2150 -0.0234 0.0080 0.0032 573 TYR A CD2 4646 C CE1 . TYR A 573 ? 0.1692 0.2509 0.2210 -0.0234 0.0113 0.0001 573 TYR A CE1 4647 C CE2 . TYR A 573 ? 0.1605 0.2419 0.2138 -0.0224 0.0103 0.0019 573 TYR A CE2 4648 C CZ . TYR A 573 ? 0.1636 0.2435 0.2157 -0.0223 0.0120 0.0004 573 TYR A CZ 4649 O OH . TYR A 573 ? 0.1576 0.2341 0.2088 -0.0211 0.0145 -0.0006 573 TYR A OH 4650 N N . PHE A 574 ? 0.1650 0.2579 0.2198 -0.0270 0.0028 0.0026 574 PHE A N 4651 C CA . PHE A 574 ? 0.1696 0.2622 0.2263 -0.0274 0.0037 0.0007 574 PHE A CA 4652 C C . PHE A 574 ? 0.1793 0.2748 0.2401 -0.0282 0.0013 0.0007 574 PHE A C 4653 O O . PHE A 574 ? 0.1800 0.2754 0.2436 -0.0286 0.0019 -0.0008 574 PHE A O 4654 C CB . PHE A 574 ? 0.1667 0.2583 0.2182 -0.0277 0.0049 -0.0009 574 PHE A CB 4655 C CG . PHE A 574 ? 0.1645 0.2526 0.2134 -0.0268 0.0077 -0.0017 574 PHE A CG 4656 C CD1 . PHE A 574 ? 0.1620 0.2475 0.2132 -0.0262 0.0103 -0.0026 574 PHE A CD1 4657 C CD2 . PHE A 574 ? 0.1646 0.2518 0.2087 -0.0264 0.0078 -0.0014 574 PHE A CD2 4658 C CE1 . PHE A 574 ? 0.1644 0.2465 0.2122 -0.0250 0.0128 -0.0032 574 PHE A CE1 4659 C CE2 . PHE A 574 ? 0.1605 0.2446 0.2021 -0.0253 0.0100 -0.0021 574 PHE A CE2 4660 C CZ . PHE A 574 ? 0.1609 0.2424 0.2040 -0.0246 0.0124 -0.0030 574 PHE A CZ 4661 N N . GLN A 575 ? 0.1922 0.2902 0.2535 -0.0284 -0.0014 0.0026 575 GLN A N 4662 C CA . GLN A 575 ? 0.2238 0.3250 0.2878 -0.0290 -0.0046 0.0028 575 GLN A CA 4663 C C . GLN A 575 ? 0.2187 0.3202 0.2897 -0.0293 -0.0044 0.0014 575 GLN A C 4664 O O . GLN A 575 ? 0.2243 0.3274 0.2964 -0.0300 -0.0058 -0.0001 575 GLN A O 4665 C CB . GLN A 575 ? 0.2683 0.3714 0.3327 -0.0287 -0.0071 0.0056 575 GLN A CB 4666 C CG . GLN A 575 ? 0.3370 0.4433 0.4051 -0.0290 -0.0107 0.0062 575 GLN A CG 4667 C CD . GLN A 575 ? 0.3894 0.4971 0.4590 -0.0284 -0.0127 0.0094 575 GLN A CD 4668 O OE1 . GLN A 575 ? 0.4227 0.5289 0.4943 -0.0278 -0.0111 0.0109 575 GLN A OE1 4669 N NE2 . GLN A 575 ? 0.4162 0.5267 0.4851 -0.0285 -0.0163 0.0104 575 GLN A NE2 4670 N N . LEU A 576 ? 0.2116 0.3114 0.2876 -0.0287 -0.0025 0.0019 576 LEU A N 4671 C CA . LEU A 576 ? 0.2157 0.3155 0.2991 -0.0289 -0.0019 0.0008 576 LEU A CA 4672 C C . LEU A 576 ? 0.2077 0.3062 0.2912 -0.0293 0.0002 -0.0017 576 LEU A C 4673 O O . LEU A 576 ? 0.1952 0.2952 0.2836 -0.0299 -0.0008 -0.0032 576 LEU A O 4674 C CB . LEU A 576 ? 0.2245 0.3223 0.3127 -0.0281 0.0003 0.0017 576 LEU A CB 4675 C CG . LEU A 576 ? 0.2414 0.3409 0.3332 -0.0278 -0.0019 0.0042 576 LEU A CG 4676 C CD1 . LEU A 576 ? 0.2381 0.3349 0.3331 -0.0270 0.0011 0.0047 576 LEU A CD1 4677 C CD2 . LEU A 576 ? 0.2408 0.3434 0.3392 -0.0283 -0.0050 0.0043 576 LEU A CD2 4678 N N . VAL A 577 ? 0.1962 0.2918 0.2745 -0.0289 0.0031 -0.0024 577 VAL A N 4679 C CA . VAL A 577 ? 0.1940 0.2879 0.2723 -0.0292 0.0056 -0.0046 577 VAL A CA 4680 C C . VAL A 577 ? 0.1919 0.2878 0.2664 -0.0301 0.0037 -0.0060 577 VAL A C 4681 O O . VAL A 577 ? 0.1924 0.2882 0.2692 -0.0306 0.0045 -0.0080 577 VAL A O 4682 C CB . VAL A 577 ? 0.1932 0.2829 0.2678 -0.0282 0.0097 -0.0048 577 VAL A CB 4683 C CG1 . VAL A 577 ? 0.1825 0.2716 0.2491 -0.0280 0.0096 -0.0047 577 VAL A CG1 4684 C CG2 . VAL A 577 ? 0.1936 0.2811 0.2711 -0.0281 0.0130 -0.0065 577 VAL A CG2 4685 N N . THR A 578 ? 0.1977 0.2953 0.2668 -0.0302 0.0012 -0.0050 578 THR A N 4686 C CA . THR A 578 ? 0.2000 0.2997 0.2654 -0.0310 -0.0007 -0.0063 578 THR A CA 4687 C C . THR A 578 ? 0.2126 0.3153 0.2834 -0.0318 -0.0036 -0.0076 578 THR A C 4688 O O . THR A 578 ? 0.2106 0.3139 0.2822 -0.0325 -0.0037 -0.0099 578 THR A O 4689 C CB . THR A 578 ? 0.2025 0.3034 0.2616 -0.0309 -0.0027 -0.0046 578 THR A CB 4690 O OG1 . THR A 578 ? 0.2025 0.3007 0.2571 -0.0303 -0.0002 -0.0040 578 THR A OG1 4691 C CG2 . THR A 578 ? 0.1993 0.3024 0.2542 -0.0317 -0.0049 -0.0060 578 THR A CG2 4692 N N . GLN A 579 ? 0.2189 0.3234 0.2939 -0.0316 -0.0060 -0.0060 579 GLN A N 4693 C CA . GLN A 579 ? 0.2443 0.3516 0.3251 -0.0321 -0.0091 -0.0070 579 GLN A CA 4694 C C . GLN A 579 ? 0.2310 0.3372 0.3195 -0.0324 -0.0068 -0.0091 579 GLN A C 4695 O O . GLN A 579 ? 0.2484 0.3563 0.3401 -0.0331 -0.0083 -0.0115 579 GLN A O 4696 C CB . GLN A 579 ? 0.2633 0.3726 0.3471 -0.0316 -0.0120 -0.0045 579 GLN A CB 4697 C CG . GLN A 579 ? 0.3120 0.4244 0.4025 -0.0320 -0.0157 -0.0054 579 GLN A CG 4698 C CD . GLN A 579 ? 0.3417 0.4570 0.4283 -0.0325 -0.0195 -0.0069 579 GLN A CD 4699 O OE1 . GLN A 579 ? 0.3780 0.4934 0.4564 -0.0325 -0.0201 -0.0064 579 GLN A OE1 4700 N NE2 . GLN A 579 ? 0.3669 0.4844 0.4598 -0.0330 -0.0220 -0.0090 579 GLN A NE2 4701 N N . TRP A 580 ? 0.2258 0.3291 0.3171 -0.0318 -0.0031 -0.0084 580 TRP A N 4702 C CA . TRP A 580 ? 0.2249 0.3265 0.3235 -0.0319 -0.0002 -0.0100 580 TRP A CA 4703 C C . TRP A 580 ? 0.2249 0.3253 0.3221 -0.0324 0.0019 -0.0125 580 TRP A C 4704 O O . TRP A 580 ? 0.2234 0.3244 0.3272 -0.0330 0.0022 -0.0145 580 TRP A O 4705 C CB . TRP A 580 ? 0.2245 0.3227 0.3247 -0.0310 0.0036 -0.0085 580 TRP A CB 4706 C CG . TRP A 580 ? 0.2379 0.3344 0.3463 -0.0309 0.0069 -0.0097 580 TRP A CG 4707 C CD1 . TRP A 580 ? 0.2356 0.3332 0.3532 -0.0310 0.0063 -0.0096 580 TRP A CD1 4708 C CD2 . TRP A 580 ? 0.2391 0.3322 0.3473 -0.0307 0.0114 -0.0109 580 TRP A CD2 4709 N NE1 . TRP A 580 ? 0.2456 0.3406 0.3689 -0.0309 0.0104 -0.0107 580 TRP A NE1 4710 C CE2 . TRP A 580 ? 0.2484 0.3406 0.3659 -0.0306 0.0137 -0.0115 580 TRP A CE2 4711 C CE3 . TRP A 580 ? 0.2395 0.3301 0.3407 -0.0304 0.0139 -0.0115 580 TRP A CE3 4712 C CZ2 . TRP A 580 ? 0.2499 0.3387 0.3697 -0.0303 0.0185 -0.0125 580 TRP A CZ2 4713 C CZ3 . TRP A 580 ? 0.2410 0.3283 0.3444 -0.0300 0.0184 -0.0125 580 TRP A CZ3 4714 C CH2 . TRP A 580 ? 0.2466 0.3330 0.3591 -0.0299 0.0208 -0.0129 580 TRP A CH2 4715 N N . LEU A 581 ? 0.2209 0.3195 0.3101 -0.0322 0.0034 -0.0124 581 LEU A N 4716 C CA . LEU A 581 ? 0.2282 0.3255 0.3156 -0.0326 0.0056 -0.0145 581 LEU A CA 4717 C C . LEU A 581 ? 0.2390 0.3395 0.3268 -0.0337 0.0022 -0.0167 581 LEU A C 4718 O O . LEU A 581 ? 0.2329 0.3333 0.3244 -0.0343 0.0034 -0.0191 581 LEU A O 4719 C CB . LEU A 581 ? 0.2302 0.3250 0.3089 -0.0320 0.0076 -0.0137 581 LEU A CB 4720 C CG . LEU A 581 ? 0.2369 0.3277 0.3143 -0.0308 0.0116 -0.0123 581 LEU A CG 4721 C CD1 . LEU A 581 ? 0.2335 0.3230 0.3023 -0.0302 0.0120 -0.0113 581 LEU A CD1 4722 C CD2 . LEU A 581 ? 0.2299 0.3178 0.3107 -0.0306 0.0157 -0.0136 581 LEU A CD2 4723 N N . GLN A 582 ? 0.2517 0.3551 0.3357 -0.0339 -0.0017 -0.0160 582 GLN A N 4724 C CA . GLN A 582 ? 0.2918 0.3985 0.3752 -0.0348 -0.0054 -0.0180 582 GLN A CA 4725 C C . GLN A 582 ? 0.2876 0.3962 0.3807 -0.0353 -0.0071 -0.0198 582 GLN A C 4726 O O . GLN A 582 ? 0.2836 0.3933 0.3793 -0.0361 -0.0078 -0.0227 582 GLN A O 4727 C CB . GLN A 582 ? 0.3188 0.4279 0.3964 -0.0346 -0.0093 -0.0162 582 GLN A CB 4728 C CG . GLN A 582 ? 0.3787 0.4901 0.4513 -0.0352 -0.0123 -0.0180 582 GLN A CG 4729 C CD . GLN A 582 ? 0.4165 0.5299 0.4831 -0.0348 -0.0156 -0.0157 582 GLN A CD 4730 O OE1 . GLN A 582 ? 0.4224 0.5346 0.4817 -0.0345 -0.0145 -0.0143 582 GLN A OE1 4731 N NE2 . GLN A 582 ? 0.4189 0.5350 0.4888 -0.0347 -0.0195 -0.0152 582 GLN A NE2 4732 N N . GLU A 583 ? 0.2874 0.3964 0.3862 -0.0348 -0.0077 -0.0182 583 GLU A N 4733 C CA . GLU A 583 ? 0.2968 0.4077 0.4059 -0.0352 -0.0093 -0.0197 583 GLU A CA 4734 C C . GLU A 583 ? 0.2948 0.4035 0.4105 -0.0356 -0.0052 -0.0219 583 GLU A C 4735 O O . GLU A 583 ? 0.3037 0.4142 0.4257 -0.0363 -0.0067 -0.0247 583 GLU A O 4736 C CB . GLU A 583 ? 0.3113 0.4225 0.4253 -0.0346 -0.0101 -0.0173 583 GLU A CB 4737 C CG . GLU A 583 ? 0.3325 0.4467 0.4432 -0.0343 -0.0151 -0.0154 583 GLU A CG 4738 C CD . GLU A 583 ? 0.3545 0.4682 0.4683 -0.0335 -0.0148 -0.0124 583 GLU A CD 4739 O OE1 . GLU A 583 ? 0.3579 0.4687 0.4754 -0.0331 -0.0106 -0.0118 583 GLU A OE1 4740 O OE2 . GLU A 583 ? 0.3658 0.4819 0.4781 -0.0331 -0.0187 -0.0106 583 GLU A OE2 4741 N N . GLN A 584 ? 0.2796 0.3844 0.3940 -0.0349 -0.0002 -0.0206 584 GLN A N 4742 C CA . GLN A 584 ? 0.2796 0.3815 0.3992 -0.0350 0.0044 -0.0220 584 GLN A CA 4743 C C . GLN A 584 ? 0.2793 0.3813 0.3971 -0.0358 0.0048 -0.0248 584 GLN A C 4744 O O . GLN A 584 ? 0.2573 0.3594 0.3828 -0.0363 0.0060 -0.0271 584 GLN A O 4745 C CB . GLN A 584 ? 0.2722 0.3696 0.3885 -0.0339 0.0095 -0.0198 584 GLN A CB 4746 C CG . GLN A 584 ? 0.2748 0.3715 0.3947 -0.0331 0.0100 -0.0176 584 GLN A CG 4747 C CD . GLN A 584 ? 0.2808 0.3779 0.4125 -0.0334 0.0109 -0.0186 584 GLN A CD 4748 O OE1 . GLN A 584 ? 0.2836 0.3783 0.4200 -0.0334 0.0149 -0.0197 584 GLN A OE1 4749 N NE2 . GLN A 584 ? 0.2748 0.3750 0.4117 -0.0336 0.0071 -0.0181 584 GLN A NE2 4750 N N . ASN A 585 ? 0.2637 0.3656 0.3719 -0.0358 0.0042 -0.0245 585 ASN A N 4751 C CA . ASN A 585 ? 0.2762 0.3782 0.3821 -0.0365 0.0046 -0.0270 585 ASN A CA 4752 C C . ASN A 585 ? 0.2943 0.4002 0.4056 -0.0376 0.0005 -0.0302 585 ASN A C 4753 O O . ASN A 585 ? 0.2884 0.3941 0.4048 -0.0382 0.0018 -0.0329 585 ASN A O 4754 C CB . ASN A 585 ? 0.2630 0.3645 0.3578 -0.0363 0.0043 -0.0261 585 ASN A CB 4755 C CG . ASN A 585 ? 0.2516 0.3489 0.3420 -0.0352 0.0088 -0.0240 585 ASN A CG 4756 O OD1 . ASN A 585 ? 0.2413 0.3357 0.3359 -0.0348 0.0129 -0.0240 585 ASN A OD1 4757 N ND2 . ASN A 585 ? 0.2309 0.3277 0.3126 -0.0347 0.0082 -0.0222 585 ASN A ND2 4758 N N . GLN A 586 ? 0.3279 0.4372 0.4385 -0.0377 -0.0044 -0.0297 586 GLN A N 4759 C CA . GLN A 586 ? 0.3627 0.4759 0.4778 -0.0385 -0.0091 -0.0326 586 GLN A CA 4760 C C . GLN A 586 ? 0.3669 0.4804 0.4947 -0.0388 -0.0083 -0.0345 586 GLN A C 4761 O O . GLN A 586 ? 0.3571 0.4716 0.4901 -0.0397 -0.0087 -0.0380 586 GLN A O 4762 C CB . GLN A 586 ? 0.3894 0.5057 0.5007 -0.0381 -0.0145 -0.0311 586 GLN A CB 4763 C CG . GLN A 586 ? 0.4497 0.5667 0.5493 -0.0381 -0.0163 -0.0304 586 GLN A CG 4764 C CD . GLN A 586 ? 0.4992 0.6180 0.5941 -0.0374 -0.0201 -0.0276 586 GLN A CD 4765 O OE1 . GLN A 586 ? 0.5223 0.6421 0.6228 -0.0369 -0.0216 -0.0261 586 GLN A OE1 4766 N NE2 . GLN A 586 ? 0.5019 0.6212 0.5868 -0.0372 -0.0213 -0.0266 586 GLN A NE2 4767 N N . GLN A 587 ? 0.3589 0.4713 0.4920 -0.0382 -0.0068 -0.0323 587 GLN A N 4768 C CA . GLN A 587 ? 0.3744 0.4865 0.5201 -0.0385 -0.0051 -0.0336 587 GLN A CA 4769 C C . GLN A 587 ? 0.3742 0.4833 0.5238 -0.0388 0.0001 -0.0353 587 GLN A C 4770 O O . GLN A 587 ? 0.3610 0.4708 0.5208 -0.0394 0.0005 -0.0379 587 GLN A O 4771 C CB . GLN A 587 ? 0.3858 0.4964 0.5351 -0.0376 -0.0034 -0.0306 587 GLN A CB 4772 C CG . GLN A 587 ? 0.4258 0.5398 0.5754 -0.0374 -0.0089 -0.0293 587 GLN A CG 4773 C CD . GLN A 587 ? 0.4443 0.5567 0.5970 -0.0365 -0.0069 -0.0262 587 GLN A CD 4774 O OE1 . GLN A 587 ? 0.4726 0.5827 0.6331 -0.0364 -0.0028 -0.0262 587 GLN A OE1 4775 N NE2 . GLN A 587 ? 0.4514 0.5649 0.5981 -0.0359 -0.0096 -0.0235 587 GLN A NE2 4776 N N . ASN A 588 ? 0.3536 0.4592 0.4953 -0.0383 0.0042 -0.0338 588 ASN A N 4777 C CA . ASN A 588 ? 0.3549 0.4573 0.4995 -0.0384 0.0095 -0.0350 588 ASN A CA 4778 C C . ASN A 588 ? 0.3505 0.4544 0.4938 -0.0394 0.0081 -0.0383 588 ASN A C 4779 O O . ASN A 588 ? 0.3552 0.4569 0.5015 -0.0395 0.0121 -0.0396 588 ASN A O 4780 C CB . ASN A 588 ? 0.3653 0.4631 0.5027 -0.0372 0.0145 -0.0321 588 ASN A CB 4781 C CG . ASN A 588 ? 0.3896 0.4853 0.5294 -0.0362 0.0170 -0.0293 588 ASN A CG 4782 O OD1 . ASN A 588 ? 0.4043 0.5010 0.5536 -0.0364 0.0166 -0.0297 588 ASN A OD1 4783 N ND2 . ASN A 588 ? 0.4078 0.5004 0.5393 -0.0351 0.0195 -0.0266 588 ASN A ND2 4784 N N . GLY A 589 ? 0.3517 0.4593 0.4904 -0.0399 0.0026 -0.0396 589 GLY A N 4785 C CA . GLY A 589 ? 0.3545 0.4637 0.4906 -0.0408 0.0009 -0.0429 589 GLY A CA 4786 C C . GLY A 589 ? 0.3699 0.4761 0.4974 -0.0405 0.0046 -0.0420 589 GLY A C 4787 O O . GLY A 589 ? 0.3764 0.4818 0.5055 -0.0411 0.0064 -0.0444 589 GLY A O 4788 N N . GLU A 590 ? 0.3489 0.4533 0.4677 -0.0396 0.0056 -0.0386 590 GLU A N 4789 C CA . GLU A 590 ? 0.3505 0.4521 0.4611 -0.0392 0.0088 -0.0376 590 GLU A CA 4790 C C . GLU A 590 ? 0.3566 0.4605 0.4599 -0.0399 0.0055 -0.0392 590 GLU A C 4791 O O . GLU A 590 ? 0.3668 0.4740 0.4676 -0.0402 0.0008 -0.0396 590 GLU A O 4792 C CB . GLU A 590 ? 0.3423 0.4413 0.4464 -0.0380 0.0107 -0.0336 590 GLU A CB 4793 C CG . GLU A 590 ? 0.3340 0.4302 0.4438 -0.0371 0.0143 -0.0317 590 GLU A CG 4794 C CD . GLU A 590 ? 0.3369 0.4293 0.4503 -0.0368 0.0198 -0.0322 590 GLU A CD 4795 O OE1 . GLU A 590 ? 0.3383 0.4301 0.4499 -0.0372 0.0211 -0.0338 590 GLU A OE1 4796 O OE2 . GLU A 590 ? 0.3428 0.4328 0.4611 -0.0360 0.0231 -0.0308 590 GLU A OE2 4797 N N . VAL A 591 ? 0.3662 0.4682 0.4659 -0.0400 0.0082 -0.0401 591 VAL A N 4798 C CA . VAL A 591 ? 0.3772 0.4805 0.4684 -0.0404 0.0062 -0.0410 591 VAL A CA 4799 C C . VAL A 591 ? 0.3722 0.4732 0.4546 -0.0394 0.0078 -0.0375 591 VAL A C 4800 O O . VAL A 591 ? 0.3834 0.4809 0.4654 -0.0386 0.0120 -0.0359 591 VAL A O 4801 C CB . VAL A 591 ? 0.3905 0.4935 0.4834 -0.0413 0.0078 -0.0444 591 VAL A CB 4802 C CG1 . VAL A 591 ? 0.4075 0.5066 0.5047 -0.0408 0.0133 -0.0438 591 VAL A CG1 4803 C CG2 . VAL A 591 ? 0.4038 0.5073 0.4872 -0.0415 0.0067 -0.0448 591 VAL A CG2 4804 N N . LEU A 592 ? 0.3613 0.4642 0.4368 -0.0393 0.0045 -0.0363 592 LEU A N 4805 C CA . LEU A 592 ? 0.3479 0.4490 0.4154 -0.0384 0.0057 -0.0333 592 LEU A CA 4806 C C . LEU A 592 ? 0.3384 0.4385 0.4005 -0.0387 0.0072 -0.0344 592 LEU A C 4807 O O . LEU A 592 ? 0.3424 0.4446 0.4034 -0.0396 0.0053 -0.0371 592 LEU A O 4808 C CB . LEU A 592 ? 0.3544 0.4578 0.4171 -0.0382 0.0018 -0.0315 592 LEU A CB 4809 C CG . LEU A 592 ? 0.3633 0.4682 0.4310 -0.0379 -0.0002 -0.0300 592 LEU A CG 4810 C CD1 . LEU A 592 ? 0.3717 0.4783 0.4335 -0.0375 -0.0034 -0.0277 592 LEU A CD1 4811 C CD2 . LEU A 592 ? 0.3562 0.4581 0.4283 -0.0371 0.0032 -0.0282 592 LEU A CD2 4812 N N . GLY A 593 ? 0.3035 0.4004 0.3621 -0.0379 0.0105 -0.0326 593 GLY A N 4813 C CA . GLY A 593 ? 0.2822 0.3779 0.3364 -0.0381 0.0122 -0.0336 593 GLY A CA 4814 C C . GLY A 593 ? 0.2659 0.3596 0.3254 -0.0382 0.0156 -0.0353 593 GLY A C 4815 O O . GLY A 593 ? 0.2651 0.3578 0.3312 -0.0380 0.0171 -0.0353 593 GLY A O 4816 N N . TRP A 594 ? 0.2517 0.3445 0.3084 -0.0385 0.0171 -0.0367 594 TRP A N 4817 C CA . TRP A 594 ? 0.2436 0.3340 0.3046 -0.0384 0.0207 -0.0379 594 TRP A CA 4818 C C . TRP A 594 ? 0.2496 0.3415 0.3107 -0.0396 0.0202 -0.0414 594 TRP A C 4819 O O . TRP A 594 ? 0.2432 0.3336 0.3011 -0.0395 0.0222 -0.0415 594 TRP A O 4820 C CB . TRP A 594 ? 0.2278 0.3144 0.2853 -0.0370 0.0241 -0.0353 594 TRP A CB 4821 C CG . TRP A 594 ? 0.2216 0.3081 0.2710 -0.0365 0.0229 -0.0335 594 TRP A CG 4822 C CD1 . TRP A 594 ? 0.2142 0.3005 0.2592 -0.0367 0.0233 -0.0342 594 TRP A CD1 4823 C CD2 . TRP A 594 ? 0.2134 0.3003 0.2590 -0.0358 0.0211 -0.0309 594 TRP A CD2 4824 N NE1 . TRP A 594 ? 0.2077 0.2941 0.2466 -0.0362 0.0220 -0.0321 594 TRP A NE1 4825 C CE2 . TRP A 594 ? 0.2115 0.2983 0.2506 -0.0356 0.0206 -0.0301 594 TRP A CE2 4826 C CE3 . TRP A 594 ? 0.2140 0.3012 0.2616 -0.0354 0.0201 -0.0292 594 TRP A CE3 4827 C CZ2 . TRP A 594 ? 0.2044 0.2915 0.2392 -0.0350 0.0191 -0.0277 594 TRP A CZ2 4828 C CZ3 . TRP A 594 ? 0.2064 0.2940 0.2494 -0.0347 0.0185 -0.0268 594 TRP A CZ3 4829 C CH2 . TRP A 594 ? 0.2029 0.2903 0.2396 -0.0345 0.0181 -0.0261 594 TRP A CH2 4830 N N . PRO A 595 ? 0.2619 0.3570 0.3270 -0.0408 0.0175 -0.0443 595 PRO A N 4831 C CA . PRO A 595 ? 0.2721 0.3689 0.3370 -0.0420 0.0167 -0.0480 595 PRO A CA 4832 C C . PRO A 595 ? 0.2785 0.3729 0.3473 -0.0421 0.0206 -0.0495 595 PRO A C 4833 O O . PRO A 595 ? 0.2766 0.3713 0.3429 -0.0427 0.0209 -0.0515 595 PRO A O 4834 C CB . PRO A 595 ? 0.2668 0.3669 0.3371 -0.0429 0.0132 -0.0508 595 PRO A CB 4835 C CG . PRO A 595 ? 0.2683 0.3676 0.3445 -0.0423 0.0138 -0.0489 595 PRO A CG 4836 C CD . PRO A 595 ? 0.2624 0.3594 0.3328 -0.0410 0.0151 -0.0446 595 PRO A CD 4837 N N . GLU A 596 ? 0.2734 0.3652 0.3483 -0.0415 0.0238 -0.0484 596 GLU A N 4838 C CA . GLU A 596 ? 0.2769 0.3659 0.3553 -0.0413 0.0280 -0.0490 596 GLU A CA 4839 C C . GLU A 596 ? 0.2670 0.3529 0.3389 -0.0400 0.0305 -0.0459 596 GLU A C 4840 O O . GLU A 596 ? 0.2592 0.3416 0.3322 -0.0387 0.0337 -0.0435 596 GLU A O 4841 C CB . GLU A 596 ? 0.2885 0.3759 0.3762 -0.0410 0.0308 -0.0491 596 GLU A CB 4842 C CG . GLU A 596 ? 0.3192 0.4096 0.4148 -0.0425 0.0286 -0.0530 596 GLU A CG 4843 C CD . GLU A 596 ? 0.3456 0.4345 0.4515 -0.0423 0.0315 -0.0532 596 GLU A CD 4844 O OE1 . GLU A 596 ? 0.3529 0.4379 0.4607 -0.0413 0.0361 -0.0513 596 GLU A OE1 4845 O OE2 . GLU A 596 ? 0.3696 0.4612 0.4819 -0.0431 0.0290 -0.0553 596 GLU A OE2 4846 N N . TYR A 597 ? 0.2604 0.3474 0.3253 -0.0403 0.0288 -0.0461 597 TYR A N 4847 C CA . TYR A 597 ? 0.2623 0.3470 0.3204 -0.0391 0.0300 -0.0434 597 TYR A CA 4848 C C . TYR A 597 ? 0.2726 0.3539 0.3320 -0.0384 0.0340 -0.0430 597 TYR A C 4849 O O . TYR A 597 ? 0.2777 0.3566 0.3327 -0.0371 0.0353 -0.0404 597 TYR A O 4850 C CB . TYR A 597 ? 0.2572 0.3442 0.3086 -0.0398 0.0273 -0.0441 597 TYR A CB 4851 C CG . TYR A 597 ? 0.2518 0.3402 0.3042 -0.0411 0.0273 -0.0479 597 TYR A CG 4852 C CD1 . TYR A 597 ? 0.2485 0.3349 0.3004 -0.0409 0.0301 -0.0483 597 TYR A CD1 4853 C CD2 . TYR A 597 ? 0.2510 0.3428 0.3052 -0.0424 0.0245 -0.0510 597 TYR A CD2 4854 C CE1 . TYR A 597 ? 0.2434 0.3311 0.2965 -0.0421 0.0303 -0.0519 597 TYR A CE1 4855 C CE2 . TYR A 597 ? 0.2500 0.3430 0.3050 -0.0436 0.0245 -0.0548 597 TYR A CE2 4856 C CZ . TYR A 597 ? 0.2480 0.3390 0.3026 -0.0435 0.0275 -0.0552 597 TYR A CZ 4857 O OH . TYR A 597 ? 0.2448 0.3371 0.3006 -0.0447 0.0276 -0.0591 597 TYR A OH 4858 N N . GLN A 598 ? 0.2900 0.3712 0.3557 -0.0391 0.0357 -0.0456 598 GLN A N 4859 C CA . GLN A 598 ? 0.3065 0.3847 0.3738 -0.0385 0.0394 -0.0455 598 GLN A CA 4860 C C . GLN A 598 ? 0.3011 0.3759 0.3729 -0.0372 0.0429 -0.0433 598 GLN A C 4861 O O . GLN A 598 ? 0.3063 0.3779 0.3789 -0.0362 0.0463 -0.0422 598 GLN A O 4862 C CB . GLN A 598 ? 0.3282 0.4081 0.4001 -0.0401 0.0397 -0.0497 598 GLN A CB 4863 C CG . GLN A 598 ? 0.3565 0.4351 0.4266 -0.0401 0.0416 -0.0504 598 GLN A CG 4864 C CD . GLN A 598 ? 0.3727 0.4523 0.4495 -0.0415 0.0427 -0.0545 598 GLN A CD 4865 O OE1 . GLN A 598 ? 0.3814 0.4642 0.4582 -0.0430 0.0401 -0.0579 598 GLN A OE1 4866 N NE2 . GLN A 598 ? 0.3718 0.4485 0.4543 -0.0409 0.0466 -0.0541 598 GLN A NE2 4867 N N . TRP A 599 ? 0.2988 0.3741 0.3735 -0.0371 0.0422 -0.0426 599 TRP A N 4868 C CA . TRP A 599 ? 0.2971 0.3693 0.3769 -0.0360 0.0457 -0.0409 599 TRP A CA 4869 C C . TRP A 599 ? 0.2950 0.3632 0.3694 -0.0338 0.0480 -0.0369 599 TRP A C 4870 O O . TRP A 599 ? 0.3051 0.3736 0.3728 -0.0331 0.0459 -0.0350 599 TRP A O 4871 C CB . TRP A 599 ? 0.2828 0.3568 0.3671 -0.0365 0.0442 -0.0411 599 TRP A CB 4872 C CG . TRP A 599 ? 0.2814 0.3522 0.3713 -0.0354 0.0481 -0.0394 599 TRP A CG 4873 C CD1 . TRP A 599 ? 0.2742 0.3442 0.3732 -0.0358 0.0510 -0.0410 599 TRP A CD1 4874 C CD2 . TRP A 599 ? 0.2718 0.3395 0.3586 -0.0335 0.0498 -0.0357 599 TRP A CD2 4875 N NE1 . TRP A 599 ? 0.2793 0.3457 0.3810 -0.0344 0.0546 -0.0384 599 TRP A NE1 4876 C CE2 . TRP A 599 ? 0.2735 0.3385 0.3675 -0.0329 0.0540 -0.0351 599 TRP A CE2 4877 C CE3 . TRP A 599 ? 0.2666 0.3336 0.3454 -0.0323 0.0484 -0.0329 599 TRP A CE3 4878 C CZ2 . TRP A 599 ? 0.2704 0.3319 0.3634 -0.0311 0.0568 -0.0319 599 TRP A CZ2 4879 C CZ3 . TRP A 599 ? 0.2665 0.3301 0.3444 -0.0306 0.0510 -0.0299 599 TRP A CZ3 4880 C CH2 . TRP A 599 ? 0.2692 0.3300 0.3538 -0.0300 0.0552 -0.0294 599 TRP A CH2 4881 N N . HIS A 600 ? 0.3051 0.3696 0.3826 -0.0326 0.0523 -0.0357 600 HIS A N 4882 C CA . HIS A 600 ? 0.3160 0.3762 0.3890 -0.0302 0.0549 -0.0319 600 HIS A CA 4883 C C . HIS A 600 ? 0.3313 0.3885 0.4103 -0.0293 0.0589 -0.0306 600 HIS A C 4884 O O . HIS A 600 ? 0.3359 0.3936 0.4230 -0.0303 0.0607 -0.0327 600 HIS A O 4885 C CB . HIS A 600 ? 0.3225 0.3804 0.3917 -0.0292 0.0564 -0.0311 600 HIS A CB 4886 C CG . HIS A 600 ? 0.3349 0.3948 0.3972 -0.0296 0.0530 -0.0314 600 HIS A CG 4887 N ND1 . HIS A 600 ? 0.3403 0.4041 0.4032 -0.0316 0.0502 -0.0344 600 HIS A ND1 4888 C CD2 . HIS A 600 ? 0.3284 0.3869 0.3835 -0.0281 0.0520 -0.0291 600 HIS A CD2 4889 C CE1 . HIS A 600 ? 0.3361 0.4006 0.3924 -0.0314 0.0480 -0.0338 600 HIS A CE1 4890 N NE2 . HIS A 600 ? 0.3381 0.3995 0.3899 -0.0293 0.0490 -0.0307 600 HIS A NE2 4891 N N . PRO A 601 ? 0.3252 0.3793 0.4005 -0.0273 0.0605 -0.0274 601 PRO A N 4892 C CA . PRO A 601 ? 0.3267 0.3775 0.4075 -0.0263 0.0649 -0.0261 601 PRO A CA 4893 C C . PRO A 601 ? 0.3406 0.3876 0.4231 -0.0251 0.0694 -0.0251 601 PRO A C 4894 O O . PRO A 601 ? 0.3330 0.3788 0.4101 -0.0243 0.0691 -0.0244 601 PRO A O 4895 C CB . PRO A 601 ? 0.3147 0.3631 0.3896 -0.0244 0.0652 -0.0229 601 PRO A CB 4896 C CG . PRO A 601 ? 0.3184 0.3670 0.3840 -0.0237 0.0624 -0.0219 601 PRO A CG 4897 C CD . PRO A 601 ? 0.3119 0.3650 0.3783 -0.0259 0.0586 -0.0249 601 PRO A CD 4898 N N . PRO A 602 ? 0.3583 0.4031 0.4486 -0.0249 0.0736 -0.0250 602 PRO A N 4899 C CA . PRO A 602 ? 0.3744 0.4148 0.4658 -0.0234 0.0784 -0.0234 602 PRO A CA 4900 C C . PRO A 602 ? 0.3897 0.4252 0.4732 -0.0203 0.0808 -0.0191 602 PRO A C 4901 O O . PRO A 602 ? 0.3865 0.4219 0.4653 -0.0196 0.0794 -0.0177 602 PRO A O 4902 C CB . PRO A 602 ? 0.3752 0.4151 0.4779 -0.0242 0.0821 -0.0245 602 PRO A CB 4903 C CG . PRO A 602 ? 0.3695 0.4110 0.4741 -0.0247 0.0807 -0.0246 602 PRO A CG 4904 C CD . PRO A 602 ? 0.3666 0.4124 0.4650 -0.0258 0.0746 -0.0259 602 PRO A CD 4905 N N . LEU A 603 ? 0.4073 0.4388 0.4890 -0.0185 0.0842 -0.0171 603 LEU A N 4906 C CA . LEU A 603 ? 0.4308 0.4571 0.5052 -0.0153 0.0870 -0.0131 603 LEU A CA 4907 C C . LEU A 603 ? 0.4204 0.4433 0.4997 -0.0143 0.0920 -0.0114 603 LEU A C 4908 O O . LEU A 603 ? 0.4219 0.4457 0.5112 -0.0158 0.0943 -0.0131 603 LEU A O 4909 C CB . LEU A 603 ? 0.4453 0.4682 0.5169 -0.0136 0.0892 -0.0114 603 LEU A CB 4910 C CG . LEU A 603 ? 0.4527 0.4778 0.5190 -0.0140 0.0851 -0.0125 603 LEU A CG 4911 C CD1 . LEU A 603 ? 0.4641 0.4862 0.5311 -0.0126 0.0881 -0.0113 603 LEU A CD1 4912 C CD2 . LEU A 603 ? 0.4567 0.4814 0.5127 -0.0124 0.0818 -0.0108 603 LEU A CD2 4913 N N . PRO A 604 ? 0.4373 0.4564 0.5098 -0.0118 0.0936 -0.0082 604 PRO A N 4914 C CA . PRO A 604 ? 0.4488 0.4637 0.5251 -0.0104 0.0993 -0.0061 604 PRO A CA 4915 C C . PRO A 604 ? 0.4811 0.4920 0.5614 -0.0092 0.1047 -0.0046 604 PRO A C 4916 O O . PRO A 604 ? 0.4652 0.4752 0.5414 -0.0083 0.1041 -0.0039 604 PRO A O 4917 C CB . PRO A 604 ? 0.4514 0.4626 0.5169 -0.0075 0.0997 -0.0029 604 PRO A CB 4918 C CG . PRO A 604 ? 0.4437 0.4588 0.5028 -0.0084 0.0932 -0.0043 604 PRO A CG 4919 C CD . PRO A 604 ? 0.4292 0.4479 0.4905 -0.0102 0.0903 -0.0067 604 PRO A CD 4920 N N . ASP A 605 ? 0.5210 0.5297 0.6098 -0.0092 0.1099 -0.0041 605 ASP A N 4921 C CA . ASP A 605 ? 0.5687 0.5738 0.6631 -0.0083 0.1153 -0.0028 605 ASP A CA 4922 C C . ASP A 605 ? 0.5862 0.5858 0.6710 -0.0048 0.1179 0.0011 605 ASP A C 4923 O O . ASP A 605 ? 0.6094 0.6079 0.6959 -0.0044 0.1192 0.0014 605 ASP A O 4924 C CB . ASP A 605 ? 0.5979 0.6009 0.7026 -0.0084 0.1210 -0.0024 605 ASP A CB 4925 C CG . ASP A 605 ? 0.6233 0.6317 0.7409 -0.0120 0.1192 -0.0069 605 ASP A CG 4926 O OD1 . ASP A 605 ? 0.6482 0.6620 0.7654 -0.0143 0.1132 -0.0102 605 ASP A OD1 4927 O OD2 . ASP A 605 ? 0.6626 0.6697 0.7908 -0.0125 0.1237 -0.0071 605 ASP A OD2 4928 N N . ASN A 606 ? 0.5934 0.5896 0.6681 -0.0022 0.1182 0.0040 606 ASN A N 4929 C CA . ASN A 606 ? 0.6277 0.6183 0.6927 0.0015 0.1206 0.0080 606 ASN A CA 4930 C C . ASN A 606 ? 0.6494 0.6411 0.7029 0.0025 0.1150 0.0082 606 ASN A C 4931 O O . ASN A 606 ? 0.6384 0.6257 0.6818 0.0058 0.1158 0.0113 606 ASN A O 4932 C CB . ASN A 606 ? 0.6446 0.6295 0.7062 0.0042 0.1261 0.0115 606 ASN A CB 4933 C CG . ASN A 606 ? 0.6728 0.6552 0.7457 0.0039 0.1329 0.0122 606 ASN A CG 4934 O OD1 . ASN A 606 ? 0.6778 0.6566 0.7529 0.0053 0.1373 0.0142 606 ASN A OD1 4935 N ND2 . ASN A 606 ? 0.6532 0.6376 0.7338 0.0020 0.1338 0.0105 606 ASN A ND2 4936 N N . TYR A 607 ? 0.6571 0.6548 0.7125 -0.0002 0.1093 0.0046 607 TYR A N 4937 C CA . TYR A 607 ? 0.6998 0.6993 0.7462 0.0001 0.1037 0.0042 607 TYR A CA 4938 C C . TYR A 607 ? 0.7222 0.7184 0.7641 0.0024 0.1047 0.0063 607 TYR A C 4939 O O . TYR A 607 ? 0.7341 0.7299 0.7828 0.0017 0.1073 0.0060 607 TYR A O 4940 C CB . TYR A 607 ? 0.6797 0.6860 0.7308 -0.0035 0.0984 0.0000 607 TYR A CB 4941 C CG . TYR A 607 ? 0.6792 0.6878 0.7240 -0.0036 0.0933 -0.0008 607 TYR A CG 4942 C CD1 . TYR A 607 ? 0.6733 0.6835 0.7104 -0.0032 0.0888 -0.0009 607 TYR A CD1 4943 C CD2 . TYR A 607 ? 0.6803 0.6896 0.7276 -0.0041 0.0930 -0.0017 607 TYR A CD2 4944 C CE1 . TYR A 607 ? 0.6775 0.6898 0.7096 -0.0033 0.0843 -0.0018 607 TYR A CE1 4945 C CE2 . TYR A 607 ? 0.6890 0.7004 0.7312 -0.0042 0.0885 -0.0025 607 TYR A CE2 4946 C CZ . TYR A 607 ? 0.6929 0.7057 0.7276 -0.0038 0.0842 -0.0026 607 TYR A CZ 4947 O OH . TYR A 607 ? 0.6780 0.6929 0.7084 -0.0039 0.0800 -0.0035 607 TYR A OH 4948 N N . PRO A 608 ? 0.7649 0.7589 0.7958 0.0050 0.1023 0.0083 608 PRO A N 4949 C CA . PRO A 608 ? 0.7990 0.7934 0.8214 0.0059 0.0988 0.0084 608 PRO A CA 4950 C C . PRO A 608 ? 0.8378 0.8266 0.8530 0.0093 0.1022 0.0118 608 PRO A C 4951 O O . PRO A 608 ? 0.8546 0.8437 0.8631 0.0100 0.0994 0.0117 608 PRO A O 4952 C CB . PRO A 608 ? 0.7834 0.7790 0.7990 0.0067 0.0939 0.0081 608 PRO A CB 4953 C CG . PRO A 608 ? 0.7876 0.7801 0.8041 0.0083 0.0966 0.0099 608 PRO A CG 4954 C CD . PRO A 608 ? 0.7781 0.7697 0.8046 0.0071 0.1020 0.0099 608 PRO A CD 4955 N N . GLU A 609 ? 0.9088 0.8925 0.9251 0.0114 0.1083 0.0147 609 GLU A N 4956 C CA . GLU A 609 ? 0.9675 0.9452 0.9762 0.0149 0.1120 0.0181 609 GLU A CA 4957 C C . GLU A 609 ? 0.9873 0.9655 0.9998 0.0138 0.1143 0.0175 609 GLU A C 4958 O O . GLU A 609 ? 0.9902 0.9727 1.0127 0.0104 0.1138 0.0147 609 GLU A O 4959 C CB . GLU A 609 ? 0.9873 0.9588 0.9949 0.0179 0.1180 0.0218 609 GLU A CB 4960 C CG . GLU A 609 ? 1.0213 0.9914 1.0398 0.0168 0.1245 0.0223 609 GLU A CG 4961 C CD . GLU A 609 ? 1.0408 1.0136 1.0696 0.0144 0.1249 0.0206 609 GLU A CD 4962 O OE1 . GLU A 609 ? 1.0379 1.0119 1.0640 0.0146 0.1215 0.0202 609 GLU A OE1 4963 O OE2 . GLU A 609 ? 1.0602 1.0338 1.1002 0.0124 0.1286 0.0195 609 GLU A OE2 4964 N N . GLY A 610 ? 1.0018 0.9753 1.0062 0.0167 0.1167 0.0200 610 GLY A N 4965 C CA . GLY A 610 ? 0.9914 0.9645 0.9987 0.0161 0.1193 0.0198 610 GLY A CA 4966 C C . GLY A 610 ? 0.9998 0.9681 0.9954 0.0196 0.1204 0.0221 610 GLY A C 4967 O O . GLY A 610 ? 1.0064 0.9751 0.9925 0.0210 0.1157 0.0219 610 GLY A O 4968 N N . LEU B 1 ? 0.7955 0.6099 0.5524 0.0805 -0.0043 -0.0283 1 LEU B N 4969 C CA . LEU B 1 ? 0.7954 0.6024 0.5518 0.0711 0.0020 -0.0250 1 LEU B CA 4970 C C . LEU B 1 ? 0.8048 0.5933 0.5413 0.0762 0.0031 -0.0243 1 LEU B C 4971 O O . LEU B 1 ? 0.8385 0.6073 0.5531 0.0834 0.0034 -0.0240 1 LEU B O 4972 C CB . LEU B 1 ? 0.7899 0.5873 0.5434 0.0624 0.0086 -0.0220 1 LEU B CB 4973 C CG . LEU B 1 ? 0.7830 0.5757 0.5389 0.0516 0.0155 -0.0192 1 LEU B CG 4974 C CD1 . LEU B 1 ? 0.7591 0.5743 0.5398 0.0438 0.0151 -0.0196 1 LEU B CD1 4975 C CD2 . LEU B 1 ? 0.7714 0.5494 0.5179 0.0456 0.0217 -0.0169 1 LEU B CD2 4976 N N . ASP B 2 ? 0.7900 0.5843 0.5336 0.0728 0.0038 -0.0241 2 ASP B N 4977 C CA . ASP B 2 ? 0.7914 0.5692 0.5179 0.0762 0.0056 -0.0231 2 ASP B CA 4978 C C . ASP B 2 ? 0.7935 0.5465 0.5001 0.0726 0.0133 -0.0197 2 ASP B C 4979 O O . ASP B 2 ? 0.7738 0.5275 0.4873 0.0622 0.0190 -0.0176 2 ASP B O 4980 C CB . ASP B 2 ? 0.8004 0.5898 0.5406 0.0703 0.0064 -0.0229 2 ASP B CB 4981 C CG . ASP B 2 ? 0.8529 0.6301 0.5781 0.0765 0.0058 -0.0231 2 ASP B CG 4982 O OD1 . ASP B 2 ? 0.8563 0.6118 0.5622 0.0761 0.0113 -0.0206 2 ASP B OD1 4983 O OD2 . ASP B 2 ? 0.8724 0.6617 0.6050 0.0816 0.0000 -0.0259 2 ASP B OD2 4984 N N . PRO B 3 ? 0.7823 0.5132 0.4638 0.0811 0.0134 -0.0195 3 PRO B N 4985 C CA . PRO B 3 ? 0.7938 0.4984 0.4534 0.0781 0.0211 -0.0164 3 PRO B CA 4986 C C . PRO B 3 ? 0.7711 0.4743 0.4361 0.0661 0.0289 -0.0139 3 PRO B C 4987 O O . PRO B 3 ? 0.7858 0.4768 0.4442 0.0583 0.0361 -0.0117 3 PRO B O 4988 C CB . PRO B 3 ? 0.8263 0.5116 0.4610 0.0904 0.0186 -0.0171 3 PRO B CB 4989 C CG . PRO B 3 ? 0.8289 0.5287 0.4701 0.1014 0.0089 -0.0210 3 PRO B CG 4990 C CD . PRO B 3 ? 0.7962 0.5259 0.4681 0.0948 0.0059 -0.0225 3 PRO B CD 4991 N N . GLY B 4 ? 0.7374 0.4535 0.4146 0.0646 0.0273 -0.0145 4 GLY B N 4992 C CA . GLY B 4 ? 0.7235 0.4416 0.4082 0.0539 0.0339 -0.0125 4 GLY B CA 4993 C C . GLY B 4 ? 0.7067 0.4394 0.4114 0.0422 0.0373 -0.0119 4 GLY B C 4994 O O . GLY B 4 ? 0.7068 0.4385 0.4153 0.0328 0.0439 -0.0104 4 GLY B O 4995 N N . LEU B 5 ? 0.6851 0.4315 0.4024 0.0431 0.0328 -0.0132 5 LEU B N 4996 C CA . LEU B 5 ? 0.6730 0.4332 0.4085 0.0332 0.0352 -0.0129 5 LEU B CA 4997 C C . LEU B 5 ? 0.6902 0.4367 0.4153 0.0300 0.0395 -0.0117 5 LEU B C 4998 O O . LEU B 5 ? 0.6699 0.4250 0.4076 0.0214 0.0423 -0.0114 5 LEU B O 4999 C CB . LEU B 5 ? 0.6561 0.4402 0.4127 0.0351 0.0282 -0.0150 5 LEU B CB 5000 C CG . LEU B 5 ? 0.6460 0.4464 0.4164 0.0364 0.0241 -0.0164 5 LEU B CG 5001 C CD1 . LEU B 5 ? 0.6398 0.4610 0.4279 0.0388 0.0175 -0.0188 5 LEU B CD1 5002 C CD2 . LEU B 5 ? 0.6417 0.4482 0.4227 0.0269 0.0289 -0.0150 5 LEU B CD2 5003 N N . GLN B 6 ? 0.7354 0.4602 0.4370 0.0370 0.0400 -0.0113 6 GLN B N 5004 C CA . GLN B 6 ? 0.7559 0.4655 0.4450 0.0351 0.0437 -0.0104 6 GLN B CA 5005 C C . GLN B 6 ? 0.7643 0.4564 0.4419 0.0258 0.0533 -0.0084 6 GLN B C 5006 O O . GLN B 6 ? 0.7613 0.4450 0.4312 0.0246 0.0570 -0.0075 6 GLN B O 5007 C CB . GLN B 6 ? 0.7988 0.4935 0.4678 0.0475 0.0394 -0.0111 6 GLN B CB 5008 C CG . GLN B 6 ? 0.8323 0.5443 0.5144 0.0531 0.0319 -0.0132 6 GLN B CG 5009 C CD . GLN B 6 ? 0.8771 0.5779 0.5414 0.0667 0.0265 -0.0147 6 GLN B CD 5010 O OE1 . GLN B 6 ? 0.9340 0.6116 0.5755 0.0699 0.0293 -0.0136 6 GLN B OE1 5011 N NE2 . GLN B 6 ? 0.8861 0.6033 0.5602 0.0749 0.0187 -0.0174 6 GLN B NE2 5012 N N . PRO B 7 ? 0.7630 0.4500 0.4398 0.0189 0.0575 -0.0079 7 PRO B N 5013 C CA . PRO B 7 ? 0.7688 0.4437 0.4394 0.0081 0.0669 -0.0067 7 PRO B CA 5014 C C . PRO B 7 ? 0.7990 0.4429 0.4394 0.0111 0.0722 -0.0053 7 PRO B C 5015 O O . PRO B 7 ? 0.8137 0.4421 0.4361 0.0197 0.0697 -0.0052 7 PRO B O 5016 C CB . PRO B 7 ? 0.7573 0.4378 0.4373 0.0007 0.0686 -0.0072 7 PRO B CB 5017 C CG . PRO B 7 ? 0.7562 0.4382 0.4338 0.0100 0.0616 -0.0079 7 PRO B CG 5018 C CD . PRO B 7 ? 0.7447 0.4363 0.4256 0.0207 0.0540 -0.0087 7 PRO B CD 5019 N N . GLY B 8 ? 0.7990 0.4340 0.4336 0.0043 0.0797 -0.0044 8 GLY B N 5020 C CA . GLY B 8 ? 0.8445 0.4487 0.4500 0.0050 0.0865 -0.0030 8 GLY B CA 5021 C C . GLY B 8 ? 0.8596 0.4501 0.4572 -0.0046 0.0942 -0.0028 8 GLY B C 5022 O O . GLY B 8 ? 0.8428 0.4463 0.4553 -0.0096 0.0928 -0.0038 8 GLY B O 5023 N N . GLN B 9 ? 0.8958 0.4592 0.4692 -0.0074 0.1024 -0.0016 9 GLN B N 5024 C CA . GLN B 9 ? 0.9187 0.4664 0.4823 -0.0175 0.1108 -0.0016 9 GLN B CA 5025 C C . GLN B 9 ? 0.8846 0.4409 0.4616 -0.0323 0.1193 -0.0025 9 GLN B C 5026 O O . GLN B 9 ? 0.8760 0.4352 0.4552 -0.0339 0.1221 -0.0021 9 GLN B O 5027 C CB . GLN B 9 ? 0.9950 0.5058 0.5225 -0.0127 0.1157 0.0000 9 GLN B CB 5028 C CG . GLN B 9 ? 1.0303 0.5288 0.5431 -0.0028 0.1102 0.0001 9 GLN B CG 5029 C CD . GLN B 9 ? 1.0530 0.5517 0.5705 -0.0111 0.1127 -0.0007 9 GLN B CD 5030 O OE1 . GLN B 9 ? 1.0486 0.5718 0.5926 -0.0195 0.1119 -0.0022 9 GLN B OE1 5031 N NE2 . GLN B 9 ? 1.0689 0.5395 0.5598 -0.0082 0.1155 0.0000 9 GLN B NE2 5032 N N . PHE B 10 ? 0.8696 0.4305 0.4555 -0.0428 0.1231 -0.0038 10 PHE B N 5033 C CA . PHE B 10 ? 0.8404 0.4122 0.4412 -0.0572 0.1307 -0.0055 10 PHE B CA 5034 C C . PHE B 10 ? 0.8432 0.3985 0.4330 -0.0669 0.1383 -0.0065 10 PHE B C 5035 O O . PHE B 10 ? 0.8411 0.3906 0.4257 -0.0638 0.1349 -0.0065 10 PHE B O 5036 C CB . PHE B 10 ? 0.7987 0.4055 0.4331 -0.0601 0.1247 -0.0073 10 PHE B CB 5037 C CG . PHE B 10 ? 0.7796 0.4033 0.4259 -0.0516 0.1175 -0.0066 10 PHE B CG 5038 C CD1 . PHE B 10 ? 0.7661 0.3976 0.4197 -0.0553 0.1209 -0.0068 10 PHE B CD1 5039 C CD2 . PHE B 10 ? 0.7547 0.3861 0.4044 -0.0400 0.1075 -0.0060 10 PHE B CD2 5040 C CE1 . PHE B 10 ? 0.7479 0.3937 0.4113 -0.0475 0.1143 -0.0062 10 PHE B CE1 5041 C CE2 . PHE B 10 ? 0.7386 0.3849 0.3987 -0.0327 0.1011 -0.0057 10 PHE B CE2 5042 C CZ . PHE B 10 ? 0.7364 0.3894 0.4030 -0.0365 0.1044 -0.0057 10 PHE B CZ 5043 N N . SER B 11 ? 0.8388 0.3861 0.4247 -0.0787 0.1488 -0.0076 11 SER B N 5044 C CA . SER B 11 ? 0.8423 0.3753 0.4195 -0.0900 0.1570 -0.0092 11 SER B CA 5045 C C . SER B 11 ? 0.8148 0.3712 0.4164 -0.0958 0.1532 -0.0118 11 SER B C 5046 O O . SER B 11 ? 0.7743 0.3603 0.4030 -0.0966 0.1481 -0.0131 11 SER B O 5047 C CB . SER B 11 ? 0.8545 0.3795 0.4271 -0.1024 0.1690 -0.0105 11 SER B CB 5048 O OG . SER B 11 ? 0.8321 0.3863 0.4324 -0.1085 0.1688 -0.0126 11 SER B OG 5049 N N . ALA B 12 ? 0.8298 0.3718 0.4205 -0.0992 0.1553 -0.0124 12 ALA B N 5050 C CA . ALA B 12 ? 0.8148 0.3754 0.4249 -0.1033 0.1511 -0.0147 12 ALA B CA 5051 C C . ALA B 12 ? 0.8203 0.3925 0.4458 -0.1194 0.1587 -0.0186 12 ALA B C 5052 O O . ALA B 12 ? 0.8254 0.3875 0.4450 -0.1278 0.1636 -0.0206 12 ALA B O 5053 C CB . ALA B 12 ? 0.8321 0.3724 0.4234 -0.0986 0.1492 -0.0137 12 ALA B CB 5054 N N . ASP B 13 ? 0.8027 0.3968 0.4482 -0.1233 0.1594 -0.0200 13 ASP B N 5055 C CA . ASP B 13 ? 0.8009 0.4107 0.4641 -0.1376 0.1657 -0.0242 13 ASP B CA 5056 C C . ASP B 13 ? 0.7682 0.4102 0.4594 -0.1366 0.1608 -0.0254 13 ASP B C 5057 O O . ASP B 13 ? 0.7575 0.4069 0.4521 -0.1258 0.1536 -0.0227 13 ASP B O 5058 C CB . ASP B 13 ? 0.8293 0.4183 0.4754 -0.1477 0.1784 -0.0252 13 ASP B CB 5059 C CG . ASP B 13 ? 0.8422 0.4234 0.4782 -0.1424 0.1807 -0.0225 13 ASP B CG 5060 O OD1 . ASP B 13 ? 0.8308 0.4274 0.4776 -0.1326 0.1727 -0.0207 13 ASP B OD1 5061 O OD2 . ASP B 13 ? 0.8706 0.4294 0.4871 -0.1482 0.1907 -0.0224 13 ASP B OD2 5062 N N . GLU B 14 ? 0.7581 0.4189 0.4686 -0.1479 0.1648 -0.0297 14 GLU B N 5063 C CA . GLU B 14 ? 0.7335 0.4251 0.4708 -0.1476 0.1604 -0.0313 14 GLU B CA 5064 C C . GLU B 14 ? 0.7116 0.4038 0.4463 -0.1416 0.1603 -0.0288 14 GLU B C 5065 O O . GLU B 14 ? 0.6815 0.3917 0.4303 -0.1338 0.1524 -0.0276 14 GLU B O 5066 C CB . GLU B 14 ? 0.7486 0.4574 0.5038 -0.1611 0.1661 -0.0369 14 GLU B CB 5067 C CG . GLU B 14 ? 0.7517 0.4907 0.5325 -0.1609 0.1626 -0.0388 14 GLU B CG 5068 C CD . GLU B 14 ? 0.7516 0.5148 0.5556 -0.1687 0.1615 -0.0441 14 GLU B CD 5069 O OE1 . GLU B 14 ? 0.7352 0.4925 0.5364 -0.1753 0.1638 -0.0466 14 GLU B OE1 5070 O OE2 . GLU B 14 ? 0.7446 0.5327 0.5693 -0.1679 0.1581 -0.0460 14 GLU B OE2 5071 N N . ALA B 15 ? 0.7144 0.3857 0.4302 -0.1452 0.1692 -0.0280 15 ALA B N 5072 C CA . ALA B 15 ? 0.7007 0.3692 0.4110 -0.1400 0.1702 -0.0257 15 ALA B CA 5073 C C . ALA B 15 ? 0.6913 0.3513 0.3906 -0.1249 0.1616 -0.0212 15 ALA B C 5074 O O . ALA B 15 ? 0.6623 0.3359 0.3713 -0.1179 0.1563 -0.0199 15 ALA B O 5075 C CB . ALA B 15 ? 0.7203 0.3655 0.4103 -0.1475 0.1823 -0.0259 15 ALA B CB 5076 N N . GLY B 16 ? 0.7101 0.3479 0.3892 -0.1200 0.1605 -0.0191 16 GLY B N 5077 C CA . GLY B 16 ? 0.7134 0.3437 0.3821 -0.1056 0.1519 -0.0155 16 GLY B CA 5078 C C . GLY B 16 ? 0.6869 0.3441 0.3791 -0.0995 0.1411 -0.0158 16 GLY B C 5079 O O . GLY B 16 ? 0.6707 0.3341 0.3653 -0.0892 0.1340 -0.0139 16 GLY B O 5080 N N . ALA B 17 ? 0.6674 0.3402 0.3766 -0.1061 0.1400 -0.0185 17 ALA B N 5081 C CA . ALA B 17 ? 0.6369 0.3357 0.3692 -0.1018 0.1306 -0.0191 17 ALA B CA 5082 C C . ALA B 17 ? 0.6184 0.3400 0.3700 -0.1009 0.1279 -0.0196 17 ALA B C 5083 O O . ALA B 17 ? 0.5962 0.3329 0.3597 -0.0932 0.1195 -0.0187 17 ALA B O 5084 C CB . ALA B 17 ? 0.6299 0.3390 0.3748 -0.1096 0.1308 -0.0221 17 ALA B CB 5085 N N . GLN B 18 ? 0.6212 0.3450 0.3756 -0.1088 0.1353 -0.0213 18 GLN B N 5086 C CA . GLN B 18 ? 0.6045 0.3484 0.3754 -0.1076 0.1332 -0.0218 18 GLN B CA 5087 C C . GLN B 18 ? 0.6054 0.3416 0.3660 -0.0965 0.1290 -0.0183 18 GLN B C 5088 O O . GLN B 18 ? 0.5833 0.3366 0.3576 -0.0908 0.1224 -0.0179 18 GLN B O 5089 C CB . GLN B 18 ? 0.6183 0.3660 0.3938 -0.1184 0.1424 -0.0246 18 GLN B CB 5090 C CG . GLN B 18 ? 0.6264 0.3876 0.4169 -0.1296 0.1460 -0.0291 18 GLN B CG 5091 C CD . GLN B 18 ? 0.6049 0.3962 0.4222 -0.1290 0.1394 -0.0314 18 GLN B CD 5092 O OE1 . GLN B 18 ? 0.5979 0.3997 0.4227 -0.1202 0.1315 -0.0294 18 GLN B OE1 5093 N NE2 . GLN B 18 ? 0.6039 0.4089 0.4352 -0.1385 0.1426 -0.0358 18 GLN B NE2 5094 N N . LEU B 19 ? 0.6179 0.3278 0.3535 -0.0935 0.1329 -0.0162 19 LEU B N 5095 C CA . LEU B 19 ? 0.6229 0.3232 0.3461 -0.0822 0.1286 -0.0132 19 LEU B CA 5096 C C . LEU B 19 ? 0.6172 0.3227 0.3432 -0.0717 0.1182 -0.0119 19 LEU B C 5097 O O . LEU B 19 ? 0.5884 0.3018 0.3186 -0.0632 0.1117 -0.0107 19 LEU B O 5098 C CB . LEU B 19 ? 0.6506 0.3200 0.3446 -0.0814 0.1355 -0.0114 19 LEU B CB 5099 C CG . LEU B 19 ? 0.6558 0.3184 0.3441 -0.0884 0.1451 -0.0119 19 LEU B CG 5100 C CD1 . LEU B 19 ? 0.6919 0.3222 0.3490 -0.0847 0.1504 -0.0095 19 LEU B CD1 5101 C CD2 . LEU B 19 ? 0.6357 0.3172 0.3391 -0.0855 0.1420 -0.0119 19 LEU B CD2 5102 N N . PHE B 20 ? 0.6203 0.3216 0.3441 -0.0728 0.1170 -0.0123 20 PHE B N 5103 C CA . PHE B 20 ? 0.6277 0.3351 0.3553 -0.0639 0.1078 -0.0115 20 PHE B CA 5104 C C . PHE B 20 ? 0.6098 0.3456 0.3630 -0.0621 0.1006 -0.0124 20 PHE B C 5105 O O . PHE B 20 ? 0.5952 0.3371 0.3510 -0.0526 0.0932 -0.0114 20 PHE B O 5106 C CB . PHE B 20 ? 0.6399 0.3399 0.3631 -0.0673 0.1087 -0.0123 20 PHE B CB 5107 C CG . PHE B 20 ? 0.6399 0.3466 0.3674 -0.0587 0.0998 -0.0117 20 PHE B CG 5108 C CD1 . PHE B 20 ? 0.6572 0.3474 0.3661 -0.0482 0.0961 -0.0099 20 PHE B CD1 5109 C CD2 . PHE B 20 ? 0.6222 0.3514 0.3719 -0.0609 0.0952 -0.0132 20 PHE B CD2 5110 C CE1 . PHE B 20 ? 0.6505 0.3481 0.3641 -0.0403 0.0882 -0.0098 20 PHE B CE1 5111 C CE2 . PHE B 20 ? 0.6188 0.3543 0.3725 -0.0533 0.0875 -0.0128 20 PHE B CE2 5112 C CZ . PHE B 20 ? 0.6310 0.3510 0.3669 -0.0432 0.0841 -0.0112 20 PHE B CZ 5113 N N . ALA B 21 ? 0.6023 0.3552 0.3739 -0.0710 0.1030 -0.0146 21 ALA B N 5114 C CA . ALA B 21 ? 0.5917 0.3707 0.3870 -0.0700 0.0970 -0.0157 21 ALA B CA 5115 C C . ALA B 21 ? 0.5959 0.3814 0.3945 -0.0648 0.0944 -0.0147 21 ALA B C 5116 O O . ALA B 21 ? 0.5846 0.3833 0.3936 -0.0585 0.0872 -0.0142 21 ALA B O 5117 C CB . ALA B 21 ? 0.5827 0.3768 0.3946 -0.0804 0.1007 -0.0186 21 ALA B CB 5118 N N . GLN B 22 ? 0.6157 0.3914 0.4050 -0.0675 0.1007 -0.0144 22 GLN B N 5119 C CA . GLN B 22 ? 0.6244 0.4043 0.4149 -0.0629 0.0990 -0.0135 22 GLN B CA 5120 C C . GLN B 22 ? 0.6314 0.4041 0.4121 -0.0513 0.0922 -0.0114 22 GLN B C 5121 O O . GLN B 22 ? 0.6174 0.4032 0.4082 -0.0460 0.0863 -0.0113 22 GLN B O 5122 C CB . GLN B 22 ? 0.6490 0.4162 0.4279 -0.0677 0.1077 -0.0134 22 GLN B CB 5123 C CG . GLN B 22 ? 0.6572 0.4367 0.4496 -0.0786 0.1138 -0.0160 22 GLN B CG 5124 C CD . GLN B 22 ? 0.6826 0.4495 0.4632 -0.0837 0.1230 -0.0162 22 GLN B CD 5125 O OE1 . GLN B 22 ? 0.7088 0.4588 0.4719 -0.0783 0.1243 -0.0140 22 GLN B OE1 5126 N NE2 . GLN B 22 ? 0.6881 0.4635 0.4783 -0.0940 0.1296 -0.0190 22 GLN B NE2 5127 N N . SER B 23 ? 0.6469 0.3991 0.4078 -0.0473 0.0930 -0.0102 23 SER B N 5128 C CA . SER B 23 ? 0.6657 0.4104 0.4159 -0.0357 0.0865 -0.0089 23 SER B CA 5129 C C . SER B 23 ? 0.6478 0.4087 0.4122 -0.0311 0.0780 -0.0095 23 SER B C 5130 O O . SER B 23 ? 0.6483 0.4170 0.4170 -0.0234 0.0714 -0.0094 23 SER B O 5131 C CB . SER B 23 ? 0.7019 0.4193 0.4256 -0.0323 0.0898 -0.0076 23 SER B CB 5132 O OG . SER B 23 ? 0.7177 0.4278 0.4301 -0.0204 0.0837 -0.0067 23 SER B OG 5133 N N . TYR B 24 ? 0.6541 0.4200 0.4259 -0.0361 0.0785 -0.0104 24 TYR B N 5134 C CA . TYR B 24 ? 0.6455 0.4281 0.4324 -0.0332 0.0715 -0.0111 24 TYR B CA 5135 C C . TYR B 24 ? 0.6217 0.4263 0.4285 -0.0326 0.0671 -0.0118 24 TYR B C 5136 O O . TYR B 24 ? 0.6048 0.4174 0.4165 -0.0255 0.0604 -0.0118 24 TYR B O 5137 C CB . TYR B 24 ? 0.6488 0.4353 0.4428 -0.0406 0.0738 -0.0122 24 TYR B CB 5138 C CG . TYR B 24 ? 0.6428 0.4482 0.4544 -0.0388 0.0673 -0.0130 24 TYR B CG 5139 C CD1 . TYR B 24 ? 0.6518 0.4547 0.4591 -0.0315 0.0620 -0.0127 24 TYR B CD1 5140 C CD2 . TYR B 24 ? 0.6300 0.4555 0.4620 -0.0440 0.0666 -0.0143 24 TYR B CD2 5141 C CE1 . TYR B 24 ? 0.6434 0.4631 0.4662 -0.0301 0.0566 -0.0134 24 TYR B CE1 5142 C CE2 . TYR B 24 ? 0.6255 0.4667 0.4721 -0.0423 0.0610 -0.0149 24 TYR B CE2 5143 C CZ . TYR B 24 ? 0.6305 0.4686 0.4724 -0.0356 0.0563 -0.0144 24 TYR B CZ 5144 O OH . TYR B 24 ? 0.6360 0.4890 0.4916 -0.0341 0.0513 -0.0151 24 TYR B OH 5145 N N . GLN B 25 ? 0.6299 0.4437 0.4475 -0.0403 0.0711 -0.0126 25 GLN B N 5146 C CA . GLN B 25 ? 0.6203 0.4547 0.4568 -0.0409 0.0677 -0.0134 25 GLN B CA 5147 C C . GLN B 25 ? 0.6201 0.4542 0.4534 -0.0346 0.0649 -0.0127 25 GLN B C 5148 O O . GLN B 25 ? 0.5851 0.4337 0.4308 -0.0316 0.0597 -0.0131 25 GLN B O 5149 C CB . GLN B 25 ? 0.6364 0.4799 0.4839 -0.0503 0.0730 -0.0149 25 GLN B CB 5150 C CG . GLN B 25 ? 0.6534 0.5047 0.5106 -0.0554 0.0729 -0.0163 25 GLN B CG 5151 C CD . GLN B 25 ? 0.6764 0.5322 0.5399 -0.0651 0.0793 -0.0183 25 GLN B CD 5152 O OE1 . GLN B 25 ? 0.6748 0.5178 0.5273 -0.0697 0.0860 -0.0185 25 GLN B OE1 5153 N NE2 . GLN B 25 ? 0.6540 0.5278 0.5350 -0.0683 0.0772 -0.0201 25 GLN B NE2 5154 N N . SER B 26 ? 0.6439 0.4605 0.4596 -0.0326 0.0685 -0.0116 26 SER B N 5155 C CA . SER B 26 ? 0.6583 0.4712 0.4674 -0.0258 0.0660 -0.0109 26 SER B CA 5156 C C . SER B 26 ? 0.6479 0.4631 0.4560 -0.0163 0.0579 -0.0110 26 SER B C 5157 O O . SER B 26 ? 0.6354 0.4614 0.4518 -0.0123 0.0530 -0.0115 26 SER B O 5158 C CB . SER B 26 ? 0.6958 0.4867 0.4836 -0.0254 0.0720 -0.0097 26 SER B CB 5159 O OG . SER B 26 ? 0.7452 0.5318 0.5256 -0.0183 0.0694 -0.0092 26 SER B OG 5160 N N . SER B 27 ? 0.6502 0.4556 0.4485 -0.0130 0.0567 -0.0108 27 SER B N 5161 C CA . SER B 27 ? 0.6352 0.4431 0.4323 -0.0038 0.0492 -0.0114 27 SER B CA 5162 C C . SER B 27 ? 0.6104 0.4387 0.4274 -0.0048 0.0442 -0.0126 27 SER B C 5163 O O . SER B 27 ? 0.6066 0.4436 0.4289 0.0014 0.0379 -0.0137 27 SER B O 5164 C CB . SER B 27 ? 0.6627 0.4521 0.4409 0.0009 0.0496 -0.0109 27 SER B CB 5165 O OG . SER B 27 ? 0.6744 0.4430 0.4324 0.0017 0.0547 -0.0097 27 SER B OG 5166 N N . ALA B 28 ? 0.5966 0.4325 0.4244 -0.0127 0.0472 -0.0127 28 ALA B N 5167 C CA . ALA B 28 ? 0.5761 0.4299 0.4218 -0.0141 0.0432 -0.0137 28 ALA B CA 5168 C C . ALA B 28 ? 0.5639 0.4339 0.4241 -0.0137 0.0398 -0.0144 28 ALA B C 5169 O O . ALA B 28 ? 0.5427 0.4252 0.4139 -0.0115 0.0349 -0.0153 28 ALA B O 5170 C CB . ALA B 28 ? 0.5608 0.4180 0.4134 -0.0225 0.0473 -0.0138 28 ALA B CB 5171 N N . GLU B 29 ? 0.5812 0.4503 0.4409 -0.0159 0.0426 -0.0141 29 GLU B N 5172 C CA . GLU B 29 ? 0.5838 0.4662 0.4552 -0.0152 0.0395 -0.0147 29 GLU B CA 5173 C C . GLU B 29 ? 0.5613 0.4474 0.4328 -0.0075 0.0330 -0.0156 29 GLU B C 5174 O O . GLU B 29 ? 0.5363 0.4364 0.4209 -0.0073 0.0291 -0.0166 29 GLU B O 5175 C CB . GLU B 29 ? 0.6246 0.5029 0.4923 -0.0176 0.0436 -0.0141 29 GLU B CB 5176 C CG . GLU B 29 ? 0.6719 0.5572 0.5490 -0.0258 0.0484 -0.0144 29 GLU B CG 5177 C CD . GLU B 29 ? 0.7223 0.6062 0.5977 -0.0279 0.0522 -0.0142 29 GLU B CD 5178 O OE1 . GLU B 29 ? 0.7424 0.6121 0.6042 -0.0286 0.0571 -0.0134 29 GLU B OE1 5179 O OE2 . GLU B 29 ? 0.7218 0.6183 0.6089 -0.0289 0.0506 -0.0148 29 GLU B OE2 5180 N N . GLN B 30 ? 0.5602 0.4334 0.4167 -0.0011 0.0318 -0.0155 30 GLN B N 5181 C CA . GLN B 30 ? 0.5654 0.4413 0.4204 0.0068 0.0255 -0.0170 30 GLN B CA 5182 C C . GLN B 30 ? 0.5304 0.4152 0.3929 0.0091 0.0212 -0.0183 30 GLN B C 5183 O O . GLN B 30 ? 0.5116 0.4080 0.3830 0.0123 0.0161 -0.0201 30 GLN B O 5184 C CB . GLN B 30 ? 0.6193 0.4775 0.4543 0.0135 0.0257 -0.0166 30 GLN B CB 5185 C CG . GLN B 30 ? 0.6834 0.5314 0.5094 0.0115 0.0305 -0.0153 30 GLN B CG 5186 C CD . GLN B 30 ? 0.7483 0.5745 0.5523 0.0150 0.0338 -0.0141 30 GLN B CD 5187 O OE1 . GLN B 30 ? 0.7736 0.5916 0.5656 0.0236 0.0301 -0.0149 30 GLN B OE1 5188 N NE2 . GLN B 30 ? 0.7815 0.5979 0.5796 0.0084 0.0410 -0.0125 30 GLN B NE2 5189 N N . VAL B 31 ? 0.5121 0.3910 0.3705 0.0072 0.0235 -0.0175 31 VAL B N 5190 C CA . VAL B 31 ? 0.4908 0.3770 0.3554 0.0090 0.0201 -0.0186 31 VAL B CA 5191 C C . VAL B 31 ? 0.4606 0.3644 0.3444 0.0036 0.0193 -0.0191 31 VAL B C 5192 O O . VAL B 31 ? 0.4395 0.3549 0.3325 0.0061 0.0149 -0.0207 31 VAL B O 5193 C CB . VAL B 31 ? 0.5053 0.3794 0.3596 0.0081 0.0232 -0.0175 31 VAL B CB 5194 C CG1 . VAL B 31 ? 0.4987 0.3805 0.3591 0.0104 0.0197 -0.0187 31 VAL B CG1 5195 C CG2 . VAL B 31 ? 0.5325 0.3870 0.3656 0.0138 0.0244 -0.0169 31 VAL B CG2 5196 N N . LEU B 32 ? 0.4441 0.3498 0.3335 -0.0037 0.0236 -0.0179 32 LEU B N 5197 C CA . LEU B 32 ? 0.4151 0.3361 0.3212 -0.0085 0.0230 -0.0183 32 LEU B CA 5198 C C . LEU B 32 ? 0.4019 0.3330 0.3161 -0.0065 0.0194 -0.0194 32 LEU B C 5199 O O . LEU B 32 ? 0.3887 0.3314 0.3138 -0.0065 0.0163 -0.0206 32 LEU B O 5200 C CB . LEU B 32 ? 0.4086 0.3294 0.3179 -0.0158 0.0280 -0.0173 32 LEU B CB 5201 C CG . LEU B 32 ? 0.4122 0.3265 0.3174 -0.0193 0.0314 -0.0168 32 LEU B CG 5202 C CD1 . LEU B 32 ? 0.4183 0.3296 0.3231 -0.0259 0.0370 -0.0163 32 LEU B CD1 5203 C CD2 . LEU B 32 ? 0.4000 0.3243 0.3156 -0.0205 0.0292 -0.0174 32 LEU B CD2 5204 N N . PHE B 33 ? 0.4022 0.3282 0.3105 -0.0049 0.0199 -0.0192 33 PHE B N 5205 C CA . PHE B 33 ? 0.4119 0.3461 0.3265 -0.0029 0.0164 -0.0205 33 PHE B CA 5206 C C . PHE B 33 ? 0.4054 0.3461 0.3231 0.0022 0.0110 -0.0226 33 PHE B C 5207 O O . PHE B 33 ? 0.3886 0.3413 0.3180 0.0009 0.0086 -0.0239 33 PHE B O 5208 C CB . PHE B 33 ? 0.4319 0.3581 0.3374 -0.0007 0.0174 -0.0201 33 PHE B CB 5209 C CG . PHE B 33 ? 0.4336 0.3675 0.3447 0.0017 0.0134 -0.0217 33 PHE B CG 5210 C CD1 . PHE B 33 ? 0.4289 0.3714 0.3502 -0.0024 0.0140 -0.0216 33 PHE B CD1 5211 C CD2 . PHE B 33 ? 0.4420 0.3749 0.3483 0.0084 0.0088 -0.0236 33 PHE B CD2 5212 C CE1 . PHE B 33 ? 0.4324 0.3812 0.3583 -0.0005 0.0104 -0.0231 33 PHE B CE1 5213 C CE2 . PHE B 33 ? 0.4418 0.3824 0.3538 0.0102 0.0050 -0.0255 33 PHE B CE2 5214 C CZ . PHE B 33 ? 0.4341 0.3821 0.3557 0.0054 0.0060 -0.0252 33 PHE B CZ 5215 N N . GLN B 34 ? 0.4206 0.3535 0.3277 0.0081 0.0092 -0.0233 34 GLN B N 5216 C CA . GLN B 34 ? 0.4310 0.3711 0.3411 0.0137 0.0039 -0.0260 34 GLN B CA 5217 C C . GLN B 34 ? 0.4115 0.3624 0.3330 0.0112 0.0030 -0.0267 34 GLN B C 5218 O O . GLN B 34 ? 0.3850 0.3474 0.3156 0.0125 -0.0004 -0.0291 34 GLN B O 5219 C CB . GLN B 34 ? 0.4682 0.3972 0.3634 0.0217 0.0019 -0.0269 34 GLN B CB 5220 C CG . GLN B 34 ? 0.5070 0.4248 0.3921 0.0221 0.0045 -0.0253 34 GLN B CG 5221 C CD . GLN B 34 ? 0.5377 0.4619 0.4266 0.0254 0.0014 -0.0270 34 GLN B CD 5222 O OE1 . GLN B 34 ? 0.5541 0.4855 0.4453 0.0312 -0.0034 -0.0300 34 GLN B OE1 5223 N NE2 . GLN B 34 ? 0.5257 0.4476 0.4151 0.0218 0.0042 -0.0255 34 GLN B NE2 5224 N N . SER B 35 ? 0.4135 0.3605 0.3342 0.0075 0.0064 -0.0248 35 SER B N 5225 C CA . SER B 35 ? 0.4161 0.3725 0.3471 0.0047 0.0062 -0.0252 35 SER B CA 5226 C C . SER B 35 ? 0.3738 0.3422 0.3187 -0.0005 0.0063 -0.0254 35 SER B C 5227 O O . SER B 35 ? 0.3645 0.3434 0.3185 -0.0004 0.0040 -0.0271 35 SER B O 5228 C CB . SER B 35 ? 0.4354 0.3840 0.3614 0.0018 0.0098 -0.0232 35 SER B CB 5229 O OG . SER B 35 ? 0.4926 0.4501 0.4290 -0.0017 0.0100 -0.0233 35 SER B OG 5230 N N . VAL B 36 ? 0.3574 0.3240 0.3033 -0.0048 0.0092 -0.0238 36 VAL B N 5231 C CA . VAL B 36 ? 0.3298 0.3059 0.2870 -0.0093 0.0096 -0.0239 36 VAL B CA 5232 C C . VAL B 36 ? 0.3177 0.3010 0.2798 -0.0071 0.0060 -0.0260 36 VAL B C 5233 O O . VAL B 36 ? 0.3031 0.2956 0.2746 -0.0091 0.0049 -0.0271 36 VAL B O 5234 C CB . VAL B 36 ? 0.3283 0.3010 0.2849 -0.0136 0.0132 -0.0222 36 VAL B CB 5235 C CG1 . VAL B 36 ? 0.3204 0.3023 0.2873 -0.0171 0.0130 -0.0224 36 VAL B CG1 5236 C CG2 . VAL B 36 ? 0.3240 0.2919 0.2780 -0.0168 0.0167 -0.0208 36 VAL B CG2 5237 N N . ALA B 37 ? 0.3197 0.2981 0.2747 -0.0031 0.0044 -0.0267 37 ALA B N 5238 C CA . ALA B 37 ? 0.3259 0.3106 0.2847 -0.0008 0.0008 -0.0292 37 ALA B CA 5239 C C . ALA B 37 ? 0.3162 0.3100 0.2812 0.0013 -0.0024 -0.0320 37 ALA B C 5240 O O . ALA B 37 ? 0.3174 0.3206 0.2912 -0.0002 -0.0042 -0.0341 37 ALA B O 5241 C CB . ALA B 37 ? 0.3319 0.3084 0.2801 0.0041 -0.0005 -0.0297 37 ALA B CB 5242 N N . ALA B 38 ? 0.3303 0.3212 0.2905 0.0049 -0.0031 -0.0323 38 ALA B N 5243 C CA . ALA B 38 ? 0.3248 0.3246 0.2905 0.0074 -0.0060 -0.0352 38 ALA B CA 5244 C C . ALA B 38 ? 0.3122 0.3203 0.2888 0.0019 -0.0042 -0.0347 38 ALA B C 5245 O O . ALA B 38 ? 0.2950 0.3135 0.2803 0.0012 -0.0059 -0.0373 38 ALA B O 5246 C CB . ALA B 38 ? 0.3364 0.3296 0.2925 0.0132 -0.0070 -0.0354 38 ALA B CB 5247 N N . SER B 39 ? 0.3072 0.3107 0.2831 -0.0020 -0.0006 -0.0317 39 SER B N 5248 C CA . SER B 39 ? 0.3046 0.3147 0.2896 -0.0070 0.0010 -0.0311 39 SER B CA 5249 C C . SER B 39 ? 0.2958 0.3123 0.2886 -0.0107 0.0010 -0.0318 39 SER B C 5250 O O . SER B 39 ? 0.2845 0.3089 0.2852 -0.0130 0.0009 -0.0331 39 SER B O 5251 C CB . SER B 39 ? 0.3059 0.3099 0.2883 -0.0102 0.0044 -0.0282 39 SER B CB 5252 O OG . SER B 39 ? 0.3428 0.3418 0.3191 -0.0073 0.0044 -0.0279 39 SER B OG 5253 N N . TRP B 40 ? 0.2883 0.3006 0.2780 -0.0113 0.0014 -0.0310 40 TRP B N 5254 C CA . TRP B 40 ? 0.2889 0.3056 0.2842 -0.0144 0.0013 -0.0316 40 TRP B CA 5255 C C . TRP B 40 ? 0.2908 0.3156 0.2914 -0.0132 -0.0015 -0.0352 40 TRP B C 5256 O O . TRP B 40 ? 0.2846 0.3156 0.2925 -0.0168 -0.0011 -0.0363 40 TRP B O 5257 C CB . TRP B 40 ? 0.2886 0.2991 0.2785 -0.0141 0.0019 -0.0304 40 TRP B CB 5258 C CG . TRP B 40 ? 0.2862 0.3002 0.2809 -0.0168 0.0017 -0.0311 40 TRP B CG 5259 C CD1 . TRP B 40 ? 0.2866 0.3038 0.2827 -0.0157 -0.0009 -0.0336 40 TRP B CD1 5260 C CD2 . TRP B 40 ? 0.2795 0.2942 0.2777 -0.0210 0.0040 -0.0296 40 TRP B CD2 5261 N NE1 . TRP B 40 ? 0.2951 0.3139 0.2949 -0.0192 0.0000 -0.0336 40 TRP B NE1 5262 C CE2 . TRP B 40 ? 0.2817 0.2987 0.2824 -0.0222 0.0028 -0.0310 40 TRP B CE2 5263 C CE3 . TRP B 40 ? 0.2730 0.2861 0.2719 -0.0236 0.0067 -0.0274 40 TRP B CE3 5264 C CZ2 . TRP B 40 ? 0.2819 0.2989 0.2849 -0.0255 0.0045 -0.0301 40 TRP B CZ2 5265 C CZ3 . TRP B 40 ? 0.2650 0.2792 0.2668 -0.0265 0.0081 -0.0267 40 TRP B CZ3 5266 C CH2 . TRP B 40 ? 0.2659 0.2815 0.2692 -0.0273 0.0070 -0.0279 40 TRP B CH2 5267 N N . ALA B 41 ? 0.2963 0.3206 0.2927 -0.0082 -0.0044 -0.0372 41 ALA B N 5268 C CA . ALA B 41 ? 0.3052 0.3381 0.3065 -0.0063 -0.0078 -0.0414 41 ALA B CA 5269 C C . ALA B 41 ? 0.3104 0.3525 0.3200 -0.0081 -0.0076 -0.0433 41 ALA B C 5270 O O . ALA B 41 ? 0.3167 0.3676 0.3338 -0.0101 -0.0086 -0.0465 41 ALA B O 5271 C CB . ALA B 41 ? 0.3141 0.3441 0.3081 0.0005 -0.0111 -0.0433 41 ALA B CB 5272 N N . HIS B 42 ? 0.3081 0.3483 0.3162 -0.0076 -0.0060 -0.0416 42 HIS B N 5273 C CA . HIS B 42 ? 0.3082 0.3563 0.3235 -0.0093 -0.0053 -0.0430 42 HIS B CA 5274 C C . HIS B 42 ? 0.2955 0.3454 0.3168 -0.0159 -0.0021 -0.0415 42 HIS B C 5275 O O . HIS B 42 ? 0.2695 0.3271 0.2981 -0.0188 -0.0018 -0.0439 42 HIS B O 5276 C CB . HIS B 42 ? 0.3304 0.3749 0.3412 -0.0063 -0.0048 -0.0415 42 HIS B CB 5277 C CG . HIS B 42 ? 0.3398 0.3915 0.3572 -0.0080 -0.0037 -0.0425 42 HIS B CG 5278 N ND1 . HIS B 42 ? 0.3441 0.3941 0.3635 -0.0123 -0.0005 -0.0399 42 HIS B ND1 5279 C CD2 . HIS B 42 ? 0.3476 0.4088 0.3700 -0.0058 -0.0053 -0.0461 42 HIS B CD2 5280 C CE1 . HIS B 42 ? 0.3417 0.3988 0.3666 -0.0128 0.0000 -0.0415 42 HIS B CE1 5281 N NE2 . HIS B 42 ? 0.3369 0.4012 0.3640 -0.0090 -0.0027 -0.0454 42 HIS B NE2 5282 N N . ASP B 43 ? 0.2857 0.3280 0.3033 -0.0180 0.0002 -0.0378 43 ASP B N 5283 C CA . ASP B 43 ? 0.2740 0.3167 0.2955 -0.0231 0.0031 -0.0361 43 ASP B CA 5284 C C . ASP B 43 ? 0.2757 0.3208 0.3011 -0.0267 0.0035 -0.0373 43 ASP B C 5285 O O . ASP B 43 ? 0.2753 0.3219 0.3043 -0.0306 0.0057 -0.0369 43 ASP B O 5286 C CB . ASP B 43 ? 0.2773 0.3121 0.2939 -0.0239 0.0051 -0.0325 43 ASP B CB 5287 C CG . ASP B 43 ? 0.2863 0.3187 0.3000 -0.0220 0.0057 -0.0313 43 ASP B CG 5288 O OD1 . ASP B 43 ? 0.2915 0.3274 0.3059 -0.0193 0.0043 -0.0330 43 ASP B OD1 5289 O OD2 . ASP B 43 ? 0.2800 0.3070 0.2907 -0.0232 0.0075 -0.0289 43 ASP B OD2 5290 N N . THR B 44 ? 0.2694 0.3137 0.2930 -0.0253 0.0015 -0.0385 44 THR B N 5291 C CA . THR B 44 ? 0.2817 0.3276 0.3081 -0.0285 0.0016 -0.0399 44 THR B CA 5292 C C . THR B 44 ? 0.2965 0.3512 0.3287 -0.0287 -0.0004 -0.0445 44 THR B C 5293 O O . THR B 44 ? 0.2986 0.3551 0.3331 -0.0313 -0.0007 -0.0465 44 THR B O 5294 C CB . THR B 44 ? 0.2864 0.3263 0.3076 -0.0273 0.0006 -0.0389 44 THR B CB 5295 O OG1 . THR B 44 ? 0.2896 0.3291 0.3070 -0.0224 -0.0022 -0.0402 44 THR B OG1 5296 C CG2 . THR B 44 ? 0.2845 0.3171 0.3011 -0.0279 0.0029 -0.0350 44 THR B CG2 5297 N N . ASN B 45 ? 0.3022 0.3625 0.3365 -0.0258 -0.0017 -0.0464 45 ASN B N 5298 C CA . ASN B 45 ? 0.3291 0.3993 0.3692 -0.0250 -0.0040 -0.0514 45 ASN B CA 5299 C C . ASN B 45 ? 0.3200 0.3954 0.3615 -0.0214 -0.0049 -0.0527 45 ASN B C 5300 O O . ASN B 45 ? 0.3269 0.4024 0.3647 -0.0154 -0.0079 -0.0538 45 ASN B O 5301 C CB . ASN B 45 ? 0.3448 0.4143 0.3818 -0.0216 -0.0076 -0.0535 45 ASN B CB 5302 C CG . ASN B 45 ? 0.3806 0.4612 0.4239 -0.0205 -0.0106 -0.0594 45 ASN B CG 5303 O OD1 . ASN B 45 ? 0.3562 0.4458 0.4075 -0.0239 -0.0094 -0.0623 45 ASN B OD1 5304 N ND2 . ASN B 45 ? 0.4106 0.4908 0.4501 -0.0156 -0.0145 -0.0614 45 ASN B ND2 5305 N N . ILE B 46 ? 0.3138 0.3927 0.3599 -0.0246 -0.0021 -0.0524 46 ILE B N 5306 C CA . ILE B 46 ? 0.3146 0.3976 0.3618 -0.0215 -0.0023 -0.0531 46 ILE B CA 5307 C C . ILE B 46 ? 0.3320 0.4276 0.3858 -0.0194 -0.0049 -0.0589 46 ILE B C 5308 O O . ILE B 46 ? 0.3112 0.4151 0.3729 -0.0239 -0.0034 -0.0620 46 ILE B O 5309 C CB . ILE B 46 ? 0.3064 0.3889 0.3561 -0.0256 0.0016 -0.0510 46 ILE B CB 5310 C CG1 . ILE B 46 ? 0.3081 0.3795 0.3519 -0.0275 0.0038 -0.0459 46 ILE B CG1 5311 C CG2 . ILE B 46 ? 0.2999 0.3865 0.3502 -0.0220 0.0013 -0.0517 46 ILE B CG2 5312 C CD1 . ILE B 46 ? 0.2957 0.3658 0.3412 -0.0315 0.0075 -0.0439 46 ILE B CD1 5313 N N . THR B 47 ? 0.3399 0.4363 0.3897 -0.0123 -0.0086 -0.0605 47 THR B N 5314 C CA . THR B 47 ? 0.3471 0.4558 0.4023 -0.0084 -0.0118 -0.0663 47 THR B CA 5315 C C . THR B 47 ? 0.3510 0.4572 0.3998 -0.0009 -0.0138 -0.0657 47 THR B C 5316 O O . THR B 47 ? 0.3511 0.4451 0.3905 0.0012 -0.0132 -0.0611 47 THR B O 5317 C CB . THR B 47 ? 0.3428 0.4550 0.3982 -0.0059 -0.0158 -0.0702 47 THR B CB 5318 O OG1 . THR B 47 ? 0.3449 0.4465 0.3893 0.0001 -0.0184 -0.0677 47 THR B OG1 5319 C CG2 . THR B 47 ? 0.3308 0.4430 0.3904 -0.0130 -0.0141 -0.0705 47 THR B CG2 5320 N N . ALA B 48 ? 0.3589 0.4767 0.4126 0.0029 -0.0161 -0.0706 48 ALA B N 5321 C CA . ALA B 48 ? 0.3693 0.4852 0.4164 0.0111 -0.0186 -0.0709 48 ALA B CA 5322 C C . ALA B 48 ? 0.3832 0.4893 0.4187 0.0180 -0.0223 -0.0699 48 ALA B C 5323 O O . ALA B 48 ? 0.3936 0.4892 0.4186 0.0229 -0.0226 -0.0669 48 ALA B O 5324 C CB . ALA B 48 ? 0.3784 0.5104 0.4337 0.0144 -0.0208 -0.0773 48 ALA B CB 5325 N N . GLU B 49 ? 0.3923 0.5010 0.4292 0.0181 -0.0248 -0.0726 49 GLU B N 5326 C CA . GLU B 49 ? 0.4220 0.5216 0.4478 0.0247 -0.0283 -0.0722 49 GLU B CA 5327 C C . GLU B 49 ? 0.4108 0.4936 0.4269 0.0223 -0.0254 -0.0655 49 GLU B C 5328 O O . GLU B 49 ? 0.4107 0.4818 0.4144 0.0280 -0.0264 -0.0632 49 GLU B O 5329 C CB . GLU B 49 ? 0.4639 0.5715 0.4946 0.0250 -0.0317 -0.0770 49 GLU B CB 5330 C CG . GLU B 49 ? 0.5437 0.6438 0.5633 0.0330 -0.0361 -0.0779 49 GLU B CG 5331 C CD . GLU B 49 ? 0.5847 0.6799 0.5937 0.0429 -0.0390 -0.0783 49 GLU B CD 5332 O OE1 . GLU B 49 ? 0.6279 0.7330 0.6417 0.0460 -0.0402 -0.0816 49 GLU B OE1 5333 O OE2 . GLU B 49 ? 0.6159 0.6966 0.6110 0.0479 -0.0399 -0.0754 49 GLU B OE2 5334 N N . ASN B 50 ? 0.3816 0.4632 0.4029 0.0141 -0.0215 -0.0627 50 ASN B N 5335 C CA . ASN B 50 ? 0.3703 0.4380 0.3839 0.0114 -0.0185 -0.0569 50 ASN B CA 5336 C C . ASN B 50 ? 0.3547 0.4149 0.3628 0.0122 -0.0161 -0.0532 50 ASN B C 5337 O O . ASN B 50 ? 0.3551 0.4028 0.3530 0.0137 -0.0151 -0.0496 50 ASN B O 5338 C CB . ASN B 50 ? 0.3635 0.4319 0.3835 0.0033 -0.0155 -0.0553 50 ASN B CB 5339 C CG . ASN B 50 ? 0.3808 0.4515 0.4021 0.0030 -0.0178 -0.0579 50 ASN B CG 5340 O OD1 . ASN B 50 ? 0.3809 0.4498 0.3964 0.0090 -0.0214 -0.0598 50 ASN B OD1 5341 N ND2 . ASN B 50 ? 0.3668 0.4410 0.3951 -0.0036 -0.0158 -0.0580 50 ASN B ND2 5342 N N . ALA B 51 ? 0.3429 0.4108 0.3573 0.0112 -0.0152 -0.0545 51 ALA B N 5343 C CA . ALA B 51 ? 0.3584 0.4205 0.3676 0.0130 -0.0136 -0.0518 51 ALA B CA 5344 C C . ALA B 51 ? 0.3675 0.4227 0.3653 0.0217 -0.0165 -0.0525 51 ALA B C 5345 O O . ALA B 51 ? 0.3763 0.4195 0.3644 0.0230 -0.0150 -0.0489 51 ALA B O 5346 C CB . ALA B 51 ? 0.3505 0.4230 0.3690 0.0106 -0.0121 -0.0535 51 ALA B CB 5347 N N . ARG B 52 ? 0.3811 0.4438 0.3797 0.0276 -0.0208 -0.0572 52 ARG B N 5348 C CA . ARG B 52 ? 0.4002 0.4559 0.3867 0.0369 -0.0241 -0.0582 52 ARG B CA 5349 C C . ARG B 52 ? 0.4060 0.4453 0.3793 0.0383 -0.0236 -0.0547 52 ARG B C 5350 O O . ARG B 52 ? 0.3998 0.4260 0.3602 0.0424 -0.0231 -0.0522 52 ARG B O 5351 C CB . ARG B 52 ? 0.4275 0.4958 0.4182 0.0432 -0.0292 -0.0647 52 ARG B CB 5352 C CG . ARG B 52 ? 0.4748 0.5368 0.4527 0.0541 -0.0331 -0.0664 52 ARG B CG 5353 C CD . ARG B 52 ? 0.5011 0.5741 0.4816 0.0610 -0.0388 -0.0730 52 ARG B CD 5354 N NE . ARG B 52 ? 0.5341 0.6041 0.5128 0.0602 -0.0403 -0.0733 52 ARG B NE 5355 C CZ . ARG B 52 ? 0.5570 0.6108 0.5213 0.0635 -0.0405 -0.0702 52 ARG B CZ 5356 N NH1 . ARG B 52 ? 0.5900 0.6280 0.5396 0.0675 -0.0391 -0.0665 52 ARG B NH1 5357 N NH2 . ARG B 52 ? 0.5595 0.6123 0.5236 0.0626 -0.0418 -0.0709 52 ARG B NH2 5358 N N . ARG B 53 ? 0.4022 0.4418 0.3784 0.0346 -0.0234 -0.0544 53 ARG B N 5359 C CA . ARG B 53 ? 0.4330 0.4582 0.3977 0.0353 -0.0225 -0.0512 53 ARG B CA 5360 C C . ARG B 53 ? 0.4298 0.4438 0.3900 0.0301 -0.0175 -0.0458 53 ARG B C 5361 O O . ARG B 53 ? 0.4283 0.4280 0.3756 0.0323 -0.0162 -0.0431 53 ARG B O 5362 C CB . ARG B 53 ? 0.4582 0.4874 0.4280 0.0323 -0.0233 -0.0524 53 ARG B CB 5363 C CG . ARG B 53 ? 0.5074 0.5444 0.4782 0.0385 -0.0286 -0.0578 53 ARG B CG 5364 C CD . ARG B 53 ? 0.5480 0.5865 0.5222 0.0351 -0.0291 -0.0583 53 ARG B CD 5365 N NE . ARG B 53 ? 0.6377 0.6869 0.6162 0.0394 -0.0341 -0.0642 53 ARG B NE 5366 C CZ . ARG B 53 ? 0.6489 0.7132 0.6413 0.0353 -0.0351 -0.0683 53 ARG B CZ 5367 N NH1 . ARG B 53 ? 0.6800 0.7497 0.6825 0.0271 -0.0313 -0.0668 53 ARG B NH1 5368 N NH2 . ARG B 53 ? 0.6951 0.7689 0.6909 0.0394 -0.0399 -0.0741 53 ARG B NH2 5369 N N . GLN B 54 ? 0.4282 0.4485 0.3986 0.0231 -0.0147 -0.0445 54 GLN B N 5370 C CA . GLN B 54 ? 0.4384 0.4505 0.4064 0.0180 -0.0103 -0.0401 54 GLN B CA 5371 C C . GLN B 54 ? 0.4244 0.4279 0.3829 0.0218 -0.0098 -0.0389 54 GLN B C 5372 O O . GLN B 54 ? 0.4183 0.4092 0.3675 0.0208 -0.0071 -0.0357 54 GLN B O 5373 C CB . GLN B 54 ? 0.4634 0.4848 0.4441 0.0109 -0.0081 -0.0397 54 GLN B CB 5374 C CG . GLN B 54 ? 0.5076 0.5226 0.4876 0.0053 -0.0040 -0.0357 54 GLN B CG 5375 C CD . GLN B 54 ? 0.5391 0.5540 0.5191 0.0054 -0.0028 -0.0350 54 GLN B CD 5376 O OE1 . GLN B 54 ? 0.5940 0.6185 0.5821 0.0049 -0.0033 -0.0368 54 GLN B OE1 5377 N NE2 . GLN B 54 ? 0.5440 0.5477 0.5149 0.0059 -0.0010 -0.0325 54 GLN B NE2 5378 N N . GLU B 55 ? 0.4177 0.4279 0.3782 0.0263 -0.0122 -0.0416 55 GLU B N 5379 C CA . GLU B 55 ? 0.4369 0.4393 0.3879 0.0310 -0.0122 -0.0409 55 GLU B CA 5380 C C . GLU B 55 ? 0.4511 0.4393 0.3855 0.0379 -0.0137 -0.0406 55 GLU B C 5381 O O . GLU B 55 ? 0.4620 0.4370 0.3850 0.0391 -0.0117 -0.0381 55 GLU B O 5382 C CB . GLU B 55 ? 0.4288 0.4433 0.3865 0.0346 -0.0147 -0.0444 55 GLU B CB 5383 C CG . GLU B 55 ? 0.4284 0.4517 0.3981 0.0280 -0.0120 -0.0437 55 GLU B CG 5384 C CD . GLU B 55 ? 0.4275 0.4659 0.4070 0.0302 -0.0140 -0.0478 55 GLU B CD 5385 O OE1 . GLU B 55 ? 0.4559 0.4953 0.4304 0.0377 -0.0169 -0.0504 55 GLU B OE1 5386 O OE2 . GLU B 55 ? 0.4156 0.4647 0.4073 0.0245 -0.0125 -0.0487 55 GLU B OE2 5387 N N . GLU B 56 ? 0.4552 0.4456 0.3879 0.0424 -0.0170 -0.0432 56 GLU B N 5388 C CA . GLU B 56 ? 0.4834 0.4595 0.3997 0.0489 -0.0183 -0.0428 56 GLU B CA 5389 C C . GLU B 56 ? 0.4745 0.4356 0.3822 0.0439 -0.0136 -0.0382 56 GLU B C 5390 O O . GLU B 56 ? 0.4841 0.4292 0.3763 0.0471 -0.0122 -0.0364 56 GLU B O 5391 C CB . GLU B 56 ? 0.5169 0.4994 0.4352 0.0528 -0.0223 -0.0462 56 GLU B CB 5392 C CG . GLU B 56 ? 0.5794 0.5698 0.4969 0.0621 -0.0279 -0.0514 56 GLU B CG 5393 C CD . GLU B 56 ? 0.6411 0.6326 0.5556 0.0671 -0.0319 -0.0544 56 GLU B CD 5394 O OE1 . GLU B 56 ? 0.6508 0.6420 0.5689 0.0619 -0.0304 -0.0530 56 GLU B OE1 5395 O OE2 . GLU B 56 ? 0.6743 0.6670 0.5824 0.0767 -0.0367 -0.0582 56 GLU B OE2 5396 N N . ALA B 57 ? 0.4380 0.4041 0.3556 0.0360 -0.0111 -0.0367 57 ALA B N 5397 C CA . ALA B 57 ? 0.4469 0.4015 0.3586 0.0308 -0.0066 -0.0330 57 ALA B CA 5398 C C . ALA B 57 ? 0.4487 0.3960 0.3572 0.0269 -0.0027 -0.0302 57 ALA B C 5399 O O . ALA B 57 ? 0.4656 0.3989 0.3632 0.0252 0.0007 -0.0277 57 ALA B O 5400 C CB . ALA B 57 ? 0.4351 0.3982 0.3586 0.0242 -0.0054 -0.0325 57 ALA B CB 5401 N N . ALA B 58 ? 0.4420 0.3989 0.3601 0.0251 -0.0030 -0.0309 58 ALA B N 5402 C CA . ALA B 58 ? 0.4353 0.3871 0.3515 0.0218 0.0000 -0.0288 58 ALA B CA 5403 C C . ALA B 58 ? 0.4567 0.3936 0.3563 0.0275 0.0000 -0.0283 58 ALA B C 5404 O O . ALA B 58 ? 0.4709 0.3956 0.3621 0.0242 0.0037 -0.0259 58 ALA B O 5405 C CB . ALA B 58 ? 0.4260 0.3914 0.3550 0.0201 -0.0010 -0.0301 58 ALA B CB 5406 N N . LEU B 59 ? 0.4634 0.4009 0.3576 0.0360 -0.0041 -0.0309 59 LEU B N 5407 C CA . LEU B 59 ? 0.4918 0.4138 0.3680 0.0429 -0.0045 -0.0307 59 LEU B CA 5408 C C . LEU B 59 ? 0.5037 0.4075 0.3641 0.0429 -0.0017 -0.0285 59 LEU B C 5409 O O . LEU B 59 ? 0.5059 0.3937 0.3524 0.0432 0.0011 -0.0266 59 LEU B O 5410 C CB . LEU B 59 ? 0.5140 0.4413 0.3875 0.0530 -0.0101 -0.0345 59 LEU B CB 5411 C CG . LEU B 59 ? 0.5339 0.4709 0.4129 0.0568 -0.0127 -0.0368 59 LEU B CG 5412 C CD1 . LEU B 59 ? 0.5274 0.4673 0.4007 0.0678 -0.0182 -0.0408 59 LEU B CD1 5413 C CD2 . LEU B 59 ? 0.5278 0.4534 0.3982 0.0557 -0.0098 -0.0344 59 LEU B CD2 5414 N N . LEU B 60 ? 0.5028 0.4087 0.3651 0.0426 -0.0023 -0.0288 60 LEU B N 5415 C CA . LEU B 60 ? 0.5334 0.4228 0.3814 0.0424 0.0006 -0.0269 60 LEU B CA 5416 C C . LEU B 60 ? 0.5334 0.4153 0.3808 0.0332 0.0069 -0.0236 60 LEU B C 5417 O O . LEU B 60 ? 0.5391 0.4033 0.3708 0.0331 0.0104 -0.0219 60 LEU B O 5418 C CB . LEU B 60 ? 0.5585 0.4532 0.4101 0.0435 -0.0013 -0.0280 60 LEU B CB 5419 C CG . LEU B 60 ? 0.5974 0.4971 0.4467 0.0530 -0.0074 -0.0316 60 LEU B CG 5420 C CD1 . LEU B 60 ? 0.5868 0.4909 0.4405 0.0519 -0.0082 -0.0321 60 LEU B CD1 5421 C CD2 . LEU B 60 ? 0.6199 0.5030 0.4483 0.0627 -0.0090 -0.0321 60 LEU B CD2 5422 N N . SER B 61 ? 0.5095 0.4047 0.3736 0.0255 0.0082 -0.0232 61 SER B N 5423 C CA . SER B 61 ? 0.5182 0.4097 0.3845 0.0168 0.0136 -0.0209 61 SER B CA 5424 C C . SER B 61 ? 0.5115 0.3919 0.3681 0.0168 0.0156 -0.0200 61 SER B C 5425 O O . SER B 61 ? 0.5280 0.3955 0.3755 0.0125 0.0204 -0.0183 61 SER B O 5426 C CB . SER B 61 ? 0.4989 0.4075 0.3845 0.0103 0.0136 -0.0211 61 SER B CB 5427 O OG . SER B 61 ? 0.5329 0.4511 0.4272 0.0099 0.0119 -0.0219 61 SER B OG 5428 N N . GLN B 62 ? 0.4865 0.3720 0.3451 0.0214 0.0122 -0.0214 62 GLN B N 5429 C CA . GLN B 62 ? 0.5042 0.3795 0.3534 0.0224 0.0135 -0.0208 62 GLN B CA 5430 C C . GLN B 62 ? 0.5270 0.3810 0.3538 0.0278 0.0148 -0.0201 62 GLN B C 5431 O O . GLN B 62 ? 0.5333 0.3729 0.3492 0.0247 0.0188 -0.0186 62 GLN B O 5432 C CB . GLN B 62 ? 0.4875 0.3743 0.3443 0.0267 0.0094 -0.0226 62 GLN B CB 5433 C CG . GLN B 62 ? 0.4728 0.3760 0.3484 0.0201 0.0098 -0.0226 62 GLN B CG 5434 C CD . GLN B 62 ? 0.4588 0.3773 0.3453 0.0242 0.0055 -0.0249 62 GLN B CD 5435 O OE1 . GLN B 62 ? 0.4581 0.3802 0.3427 0.0314 0.0016 -0.0271 62 GLN B OE1 5436 N NE2 . GLN B 62 ? 0.4520 0.3798 0.3498 0.0196 0.0063 -0.0247 62 GLN B NE2 5437 N N . GLU B 63 ? 0.5384 0.3899 0.3579 0.0357 0.0114 -0.0214 63 GLU B N 5438 C CA . GLU B 63 ? 0.5756 0.4054 0.3722 0.0413 0.0126 -0.0207 63 GLU B CA 5439 C C . GLU B 63 ? 0.5611 0.3779 0.3503 0.0339 0.0190 -0.0182 63 GLU B C 5440 O O . GLU B 63 ? 0.5586 0.3560 0.3308 0.0333 0.0230 -0.0168 63 GLU B O 5441 C CB . GLU B 63 ? 0.6109 0.4419 0.4022 0.0512 0.0076 -0.0228 63 GLU B CB 5442 C CG . GLU B 63 ? 0.6637 0.5069 0.4605 0.0595 0.0012 -0.0259 63 GLU B CG 5443 C CD . GLU B 63 ? 0.7140 0.5601 0.5068 0.0690 -0.0040 -0.0287 63 GLU B CD 5444 O OE1 . GLU B 63 ? 0.7476 0.5842 0.5315 0.0697 -0.0028 -0.0279 63 GLU B OE1 5445 O OE2 . GLU B 63 ? 0.7596 0.6182 0.5586 0.0757 -0.0094 -0.0319 63 GLU B OE2 5446 N N . PHE B 64 ? 0.5370 0.3646 0.3392 0.0281 0.0202 -0.0180 64 PHE B N 5447 C CA . PHE B 64 ? 0.5544 0.3733 0.3527 0.0205 0.0263 -0.0161 64 PHE B CA 5448 C C . PHE B 64 ? 0.5576 0.3722 0.3569 0.0122 0.0313 -0.0150 64 PHE B C 5449 O O . PHE B 64 ? 0.5822 0.3790 0.3667 0.0093 0.0365 -0.0138 64 PHE B O 5450 C CB . PHE B 64 ? 0.5276 0.3618 0.3420 0.0162 0.0260 -0.0163 64 PHE B CB 5451 C CG . PHE B 64 ? 0.5230 0.3505 0.3352 0.0083 0.0323 -0.0148 64 PHE B CG 5452 C CD1 . PHE B 64 ? 0.5409 0.3548 0.3389 0.0107 0.0346 -0.0141 64 PHE B CD1 5453 C CD2 . PHE B 64 ? 0.5109 0.3460 0.3350 -0.0010 0.0360 -0.0144 64 PHE B CD2 5454 C CE1 . PHE B 64 ? 0.5508 0.3591 0.3471 0.0033 0.0408 -0.0129 64 PHE B CE1 5455 C CE2 . PHE B 64 ? 0.5145 0.3450 0.3375 -0.0081 0.0418 -0.0135 64 PHE B CE2 5456 C CZ . PHE B 64 ? 0.5278 0.3451 0.3370 -0.0062 0.0444 -0.0128 64 PHE B CZ 5457 N N . ALA B 65 ? 0.5438 0.3742 0.3599 0.0084 0.0298 -0.0156 65 ALA B N 5458 C CA . ALA B 65 ? 0.5585 0.3878 0.3780 0.0006 0.0337 -0.0151 65 ALA B CA 5459 C C . ALA B 65 ? 0.5847 0.3951 0.3861 0.0028 0.0356 -0.0146 65 ALA B C 5460 O O . ALA B 65 ? 0.5981 0.3979 0.3932 -0.0039 0.0410 -0.0139 65 ALA B O 5461 C CB . ALA B 65 ? 0.5398 0.3884 0.3784 -0.0016 0.0307 -0.0160 65 ALA B CB 5462 N N . GLU B 66 ? 0.5845 0.3909 0.3773 0.0122 0.0312 -0.0152 66 GLU B N 5463 C CA . GLU B 66 ? 0.6248 0.4122 0.3986 0.0161 0.0323 -0.0148 66 GLU B CA 5464 C C . GLU B 66 ? 0.6276 0.3914 0.3798 0.0157 0.0373 -0.0135 66 GLU B C 5465 O O . GLU B 66 ? 0.6277 0.3759 0.3682 0.0112 0.0422 -0.0126 66 GLU B O 5466 C CB . GLU B 66 ? 0.6535 0.4432 0.4232 0.0275 0.0260 -0.0162 66 GLU B CB 5467 C CG . GLU B 66 ? 0.7139 0.4857 0.4649 0.0323 0.0264 -0.0159 66 GLU B CG 5468 C CD . GLU B 66 ? 0.7457 0.5174 0.4891 0.0452 0.0202 -0.0176 66 GLU B CD 5469 O OE1 . GLU B 66 ? 0.7608 0.5439 0.5109 0.0507 0.0158 -0.0191 66 GLU B OE1 5470 O OE2 . GLU B 66 ? 0.7955 0.5558 0.5260 0.0502 0.0195 -0.0178 66 GLU B OE2 5471 N N . ALA B 67 ? 0.6197 0.3806 0.3664 0.0203 0.0363 -0.0134 67 ALA B N 5472 C CA . ALA B 67 ? 0.6451 0.3830 0.3701 0.0209 0.0410 -0.0121 67 ALA B CA 5473 C C . ALA B 67 ? 0.6458 0.3778 0.3715 0.0087 0.0489 -0.0110 67 ALA B C 5474 O O . ALA B 67 ? 0.6697 0.3804 0.3772 0.0061 0.0545 -0.0101 67 ALA B O 5475 C CB . ALA B 67 ? 0.6328 0.3717 0.3547 0.0276 0.0381 -0.0125 67 ALA B CB 5476 N N . TRP B 68 ? 0.6112 0.3621 0.3578 0.0014 0.0496 -0.0114 68 TRP B N 5477 C CA . TRP B 68 ? 0.6132 0.3620 0.3629 -0.0097 0.0567 -0.0110 68 TRP B CA 5478 C C . TRP B 68 ? 0.6246 0.3736 0.3785 -0.0175 0.0597 -0.0115 68 TRP B C 5479 O O . TRP B 68 ? 0.6193 0.3556 0.3649 -0.0252 0.0666 -0.0114 68 TRP B O 5480 C CB . TRP B 68 ? 0.5828 0.3506 0.3512 -0.0135 0.0560 -0.0114 68 TRP B CB 5481 C CG . TRP B 68 ? 0.5908 0.3526 0.3506 -0.0081 0.0555 -0.0108 68 TRP B CG 5482 C CD1 . TRP B 68 ? 0.5867 0.3535 0.3464 0.0015 0.0491 -0.0112 68 TRP B CD1 5483 C CD2 . TRP B 68 ? 0.6004 0.3493 0.3493 -0.0119 0.0617 -0.0099 68 TRP B CD2 5484 N NE1 . TRP B 68 ? 0.5887 0.3465 0.3383 0.0041 0.0506 -0.0106 68 TRP B NE1 5485 C CE2 . TRP B 68 ? 0.6028 0.3493 0.3454 -0.0039 0.0585 -0.0096 68 TRP B CE2 5486 C CE3 . TRP B 68 ? 0.6128 0.3526 0.3572 -0.0217 0.0699 -0.0097 68 TRP B CE3 5487 C CZ2 . TRP B 68 ? 0.6167 0.3512 0.3479 -0.0049 0.0631 -0.0087 68 TRP B CZ2 5488 C CZ3 . TRP B 68 ? 0.6173 0.3456 0.3508 -0.0231 0.0749 -0.0089 68 TRP B CZ3 5489 C CH2 . TRP B 68 ? 0.6243 0.3497 0.3510 -0.0146 0.0715 -0.0082 68 TRP B CH2 5490 N N . GLY B 69 ? 0.6086 0.3713 0.3748 -0.0154 0.0548 -0.0123 69 GLY B N 5491 C CA . GLY B 69 ? 0.6221 0.3839 0.3903 -0.0205 0.0564 -0.0128 69 GLY B CA 5492 C C . GLY B 69 ? 0.6563 0.3934 0.4015 -0.0191 0.0596 -0.0122 69 GLY B C 5493 O O . GLY B 69 ? 0.6616 0.3903 0.4029 -0.0275 0.0651 -0.0126 69 GLY B O 5494 N N . GLN B 70 ? 0.6815 0.4069 0.4111 -0.0085 0.0562 -0.0116 70 GLN B N 5495 C CA . GLN B 70 ? 0.7259 0.4251 0.4302 -0.0054 0.0589 -0.0109 70 GLN B CA 5496 C C . GLN B 70 ? 0.7489 0.4284 0.4378 -0.0120 0.0670 -0.0100 70 GLN B C 5497 O O . GLN B 70 ? 0.7579 0.4207 0.4343 -0.0177 0.0725 -0.0100 70 GLN B O 5498 C CB . GLN B 70 ? 0.7440 0.4355 0.4345 0.0084 0.0533 -0.0107 70 GLN B CB 5499 C CG . GLN B 70 ? 0.7301 0.4339 0.4288 0.0155 0.0464 -0.0117 70 GLN B CG 5500 N N . LYS B 71 ? 0.7480 0.4294 0.4376 -0.0114 0.0680 -0.0095 71 LYS B N 5501 C CA . LYS B 71 ? 0.7870 0.4511 0.4629 -0.0175 0.0759 -0.0088 71 LYS B CA 5502 C C . LYS B 71 ? 0.7871 0.4547 0.4724 -0.0316 0.0827 -0.0098 71 LYS B C 5503 O O . LYS B 71 ? 0.8056 0.4531 0.4748 -0.0376 0.0900 -0.0097 71 LYS B O 5504 C CB . LYS B 71 ? 0.8002 0.4698 0.4791 -0.0145 0.0750 -0.0083 71 LYS B CB 5505 C CG . LYS B 71 ? 0.8613 0.5081 0.5196 -0.0172 0.0826 -0.0072 71 LYS B CG 5506 C CD . LYS B 71 ? 0.9119 0.5310 0.5408 -0.0080 0.0826 -0.0060 71 LYS B CD 5507 C CE . LYS B 71 ? 0.9710 0.5645 0.5779 -0.0127 0.0917 -0.0049 71 LYS B CE 5508 N NZ . LYS B 71 ? 1.0255 0.5920 0.6025 -0.0017 0.0910 -0.0036 71 LYS B NZ 5509 N N . ALA B 72 ? 0.7697 0.4626 0.4805 -0.0367 0.0803 -0.0111 72 ALA B N 5510 C CA . ALA B 72 ? 0.7798 0.4802 0.5025 -0.0495 0.0859 -0.0128 72 ALA B CA 5511 C C . ALA B 72 ? 0.8059 0.4962 0.5220 -0.0543 0.0884 -0.0137 72 ALA B C 5512 O O . ALA B 72 ? 0.8102 0.4923 0.5224 -0.0644 0.0956 -0.0149 72 ALA B O 5513 C CB . ALA B 72 ? 0.7345 0.4640 0.4848 -0.0521 0.0820 -0.0140 72 ALA B CB 5514 N N . LYS B 73 ? 0.8280 0.5191 0.5428 -0.0470 0.0826 -0.0133 73 LYS B N 5515 C CA . LYS B 73 ? 0.8529 0.5330 0.5594 -0.0499 0.0842 -0.0140 73 LYS B CA 5516 C C . LYS B 73 ? 0.8868 0.5355 0.5644 -0.0497 0.0900 -0.0130 73 LYS B C 5517 O O . LYS B 73 ? 0.9089 0.5453 0.5789 -0.0583 0.0959 -0.0141 73 LYS B O 5518 C CB . LYS B 73 ? 0.8634 0.5527 0.5756 -0.0413 0.0763 -0.0138 73 LYS B CB 5519 C CG . LYS B 73 ? 0.8542 0.5704 0.5930 -0.0452 0.0727 -0.0153 73 LYS B CG 5520 C CD . LYS B 73 ? 0.8397 0.5720 0.5893 -0.0354 0.0645 -0.0148 73 LYS B CD 5521 C CE . LYS B 73 ? 0.8577 0.5803 0.5956 -0.0273 0.0608 -0.0144 73 LYS B CE 5522 N NZ . LYS B 73 ? 0.8618 0.5937 0.6029 -0.0159 0.0538 -0.0139 73 LYS B NZ 5523 N N . GLU B 74 ? 0.8939 0.5291 0.5549 -0.0400 0.0884 -0.0112 74 GLU B N 5524 C CA . GLU B 74 ? 0.9206 0.5241 0.5517 -0.0385 0.0939 -0.0100 74 GLU B CA 5525 C C . GLU B 74 ? 0.9123 0.5052 0.5380 -0.0506 0.1037 -0.0105 74 GLU B C 5526 O O . GLU B 74 ? 0.9233 0.4934 0.5303 -0.0560 0.1104 -0.0106 74 GLU B O 5527 C CB . GLU B 74 ? 0.9670 0.5609 0.5832 -0.0253 0.0898 -0.0082 74 GLU B CB 5528 C CG . GLU B 74 ? 1.0489 0.6405 0.6580 -0.0125 0.0821 -0.0079 74 GLU B CG 5529 C CD . GLU B 74 ? 1.1043 0.6896 0.7009 0.0009 0.0773 -0.0069 74 GLU B CD 5530 O OE1 . GLU B 74 ? 1.1200 0.7011 0.7123 0.0006 0.0799 -0.0062 74 GLU B OE1 5531 O OE2 . GLU B 74 ? 1.1323 0.7171 0.7235 0.0121 0.0707 -0.0071 74 GLU B OE2 5532 N N . LEU B 75 ? 0.8910 0.5007 0.5330 -0.0550 0.1049 -0.0110 75 LEU B N 5533 C CA . LEU B 75 ? 0.8904 0.4918 0.5281 -0.0657 0.1142 -0.0116 75 LEU B CA 5534 C C . LEU B 75 ? 0.8841 0.4976 0.5381 -0.0796 0.1189 -0.0145 75 LEU B C 5535 O O . LEU B 75 ? 0.8983 0.4964 0.5415 -0.0894 0.1276 -0.0157 75 LEU B O 5536 C CB . LEU B 75 ? 0.8610 0.4733 0.5068 -0.0637 0.1137 -0.0109 75 LEU B CB 5537 C CG . LEU B 75 ? 0.8696 0.4685 0.4980 -0.0516 0.1109 -0.0085 75 LEU B CG 5538 C CD1 . LEU B 75 ? 0.8351 0.4502 0.4773 -0.0513 0.1100 -0.0084 75 LEU B CD1 5539 C CD2 . LEU B 75 ? 0.9108 0.4752 0.5073 -0.0515 0.1181 -0.0072 75 LEU B CD2 5540 N N . TYR B 76 ? 0.8557 0.4961 0.5350 -0.0804 0.1131 -0.0160 76 TYR B N 5541 C CA . TYR B 76 ? 0.8511 0.5084 0.5500 -0.0929 0.1166 -0.0192 76 TYR B CA 5542 C C . TYR B 76 ? 0.8715 0.5402 0.5828 -0.0956 0.1131 -0.0212 76 TYR B C 5543 O O . TYR B 76 ? 0.8401 0.5219 0.5664 -0.1058 0.1160 -0.0243 76 TYR B O 5544 C CB . TYR B 76 ? 0.7965 0.4779 0.5169 -0.0942 0.1151 -0.0199 76 TYR B CB 5545 C CG . TYR B 76 ? 0.7820 0.4535 0.4913 -0.0914 0.1184 -0.0180 76 TYR B CG 5546 C CD1 . TYR B 76 ? 0.8026 0.4551 0.4963 -0.0991 0.1280 -0.0185 76 TYR B CD1 5547 C CD2 . TYR B 76 ? 0.7625 0.4431 0.4764 -0.0813 0.1120 -0.0160 76 TYR B CD2 5548 C CE1 . TYR B 76 ? 0.8025 0.4450 0.4850 -0.0962 0.1312 -0.0167 76 TYR B CE1 5549 C CE2 . TYR B 76 ? 0.7598 0.4312 0.4632 -0.0784 0.1147 -0.0145 76 TYR B CE2 5550 C CZ . TYR B 76 ? 0.7832 0.4352 0.4706 -0.0856 0.1242 -0.0147 76 TYR B CZ 5551 O OH . TYR B 76 ? 0.7914 0.4332 0.4673 -0.0825 0.1271 -0.0131 76 TYR B OH 5552 N N . GLU B 77 ? 0.9173 0.5814 0.6222 -0.0865 0.1069 -0.0196 77 GLU B N 5553 C CA . GLU B 77 ? 0.9700 0.6458 0.6869 -0.0875 0.1027 -0.0212 77 GLU B CA 5554 C C . GLU B 77 ? 0.9864 0.6628 0.7083 -0.1006 0.1084 -0.0247 77 GLU B C 5555 O O . GLU B 77 ? 0.9822 0.6809 0.7259 -0.1051 0.1060 -0.0271 77 GLU B O 5556 C CB . GLU B 77 ? 1.0064 0.6689 0.7084 -0.0772 0.0977 -0.0193 77 GLU B CB 5557 C CG . GLU B 77 ? 1.0396 0.7127 0.7521 -0.0774 0.0933 -0.0206 77 GLU B CG 5558 C CD . GLU B 77 ? 1.0561 0.7556 0.7906 -0.0711 0.0852 -0.0204 77 GLU B CD 5559 O OE1 . GLU B 77 ? 1.0692 0.7873 0.8209 -0.0733 0.0844 -0.0209 77 GLU B OE1 5560 O OE2 . GLU B 77 ? 1.0660 0.7671 0.8000 -0.0641 0.0798 -0.0198 77 GLU B OE2 5561 N N . PRO B 78 ? 1.0027 0.6543 0.7042 -0.1067 0.1159 -0.0252 78 PRO B N 5562 C CA . PRO B 78 ? 1.0155 0.6683 0.7222 -0.1192 0.1208 -0.0290 78 PRO B CA 5563 C C . PRO B 78 ? 1.0122 0.6739 0.7296 -0.1314 0.1281 -0.0321 78 PRO B C 5564 O O . PRO B 78 ? 1.0291 0.6956 0.7541 -0.1423 0.1319 -0.0361 78 PRO B O 5565 C CB . PRO B 78 ? 1.0385 0.6593 0.7171 -0.1200 0.1256 -0.0282 78 PRO B CB 5566 C CG . PRO B 78 ? 1.0596 0.6608 0.7173 -0.1117 0.1268 -0.0245 78 PRO B CG 5567 C CD . PRO B 78 ? 1.0297 0.6512 0.7023 -0.1027 0.1200 -0.0227 78 PRO B CD 5568 N N . ILE B 79 ? 0.9646 0.6290 0.6829 -0.1297 0.1298 -0.0307 79 ILE B N 5569 C CA . ILE B 79 ? 0.9348 0.6060 0.6612 -0.1409 0.1374 -0.0336 79 ILE B CA 5570 C C . ILE B 79 ? 0.9018 0.6033 0.6544 -0.1407 0.1336 -0.0349 79 ILE B C 5571 O O . ILE B 79 ? 0.8839 0.5977 0.6493 -0.1507 0.1385 -0.0387 79 ILE B O 5572 C CB . ILE B 79 ? 0.9468 0.5934 0.6506 -0.1424 0.1454 -0.0318 79 ILE B CB 5573 C CG1 . ILE B 79 ? 0.9230 0.5619 0.6157 -0.1286 0.1404 -0.0270 79 ILE B CG1 5574 C CG2 . ILE B 79 ? 0.9552 0.5732 0.6357 -0.1489 0.1528 -0.0325 79 ILE B CG2 5575 C CD1 . ILE B 79 ? 0.9302 0.5468 0.6018 -0.1287 0.1475 -0.0251 79 ILE B CD1 5576 N N . TRP B 80 ? 0.8866 0.6000 0.6471 -0.1295 0.1252 -0.0321 80 TRP B N 5577 C CA . TRP B 80 ? 0.8747 0.6139 0.6571 -0.1281 0.1216 -0.0328 80 TRP B CA 5578 C C . TRP B 80 ? 0.8666 0.6299 0.6723 -0.1352 0.1203 -0.0371 80 TRP B C 5579 O O . TRP B 80 ? 0.8356 0.6176 0.6577 -0.1381 0.1207 -0.0390 80 TRP B O 5580 C CB . TRP B 80 ? 0.8495 0.5955 0.6348 -0.1150 0.1128 -0.0291 80 TRP B CB 5581 C CG . TRP B 80 ? 0.8249 0.5815 0.6193 -0.1093 0.1049 -0.0289 80 TRP B CG 5582 C CD1 . TRP B 80 ? 0.8370 0.5806 0.6185 -0.1021 0.1012 -0.0268 80 TRP B CD1 5583 C CD2 . TRP B 80 ? 0.8009 0.5831 0.6186 -0.1099 0.0997 -0.0309 80 TRP B CD2 5584 N NE1 . TRP B 80 ? 0.8223 0.5820 0.6181 -0.0986 0.0944 -0.0273 80 TRP B NE1 5585 C CE2 . TRP B 80 ? 0.8053 0.5881 0.6228 -0.1033 0.0935 -0.0297 80 TRP B CE2 5586 C CE3 . TRP B 80 ? 0.7861 0.5902 0.6240 -0.1150 0.0999 -0.0336 80 TRP B CE3 5587 C CZ2 . TRP B 80 ? 0.7927 0.5964 0.6290 -0.1019 0.0877 -0.0310 80 TRP B CZ2 5588 C CZ3 . TRP B 80 ? 0.7725 0.5970 0.6286 -0.1132 0.0938 -0.0350 80 TRP B CZ3 5589 C CH2 . TRP B 80 ? 0.7705 0.5943 0.6254 -0.1069 0.0879 -0.0336 80 TRP B CH2 5590 N N . GLN B 81 ? 0.8954 0.6576 0.7018 -0.1376 0.1188 -0.0389 81 GLN B N 5591 C CA . GLN B 81 ? 0.9129 0.6964 0.7398 -0.1438 0.1171 -0.0433 81 GLN B CA 5592 C C . GLN B 81 ? 0.9055 0.6922 0.7373 -0.1570 0.1253 -0.0482 81 GLN B C 5593 O O . GLN B 81 ? 0.8798 0.6884 0.7313 -0.1619 0.1243 -0.0525 81 GLN B O 5594 C CB . GLN B 81 ? 0.9347 0.7144 0.7592 -0.1421 0.1131 -0.0437 81 GLN B CB 5595 C CG . GLN B 81 ? 0.9628 0.7396 0.7824 -0.1294 0.1053 -0.0392 81 GLN B CG 5596 C CD . GLN B 81 ? 1.0021 0.7774 0.8210 -0.1276 0.1012 -0.0398 81 GLN B CD 5597 O OE1 . GLN B 81 ? 1.0482 0.8026 0.8488 -0.1263 0.1027 -0.0384 81 GLN B OE1 5598 N NE2 . GLN B 81 ? 0.9821 0.7791 0.8203 -0.1272 0.0960 -0.0418 81 GLN B NE2 5599 N N . GLN B 82 ? 0.9245 0.6898 0.7383 -0.1625 0.1337 -0.0479 82 GLN B N 5600 C CA . GLN B 82 ? 0.9260 0.6927 0.7429 -0.1757 0.1427 -0.0527 82 GLN B CA 5601 C C . GLN B 82 ? 0.9174 0.6872 0.7358 -0.1774 0.1476 -0.0524 82 GLN B C 5602 O O . GLN B 82 ? 0.9072 0.6740 0.7242 -0.1881 0.1563 -0.0559 82 GLN B O 5603 C CB . GLN B 82 ? 0.9633 0.7038 0.7596 -0.1835 0.1502 -0.0538 82 GLN B CB 5604 C CG . GLN B 82 ? 0.9882 0.7279 0.7856 -0.1853 0.1470 -0.0559 82 GLN B CG 5605 C CD . GLN B 82 ? 1.0039 0.7239 0.7830 -0.1751 0.1422 -0.0509 82 GLN B CD 5606 O OE1 . GLN B 82 ? 1.0271 0.7199 0.7822 -0.1742 0.1468 -0.0482 82 GLN B OE1 5607 N NE2 . GLN B 82 ? 0.9875 0.7210 0.7774 -0.1670 0.1330 -0.0499 82 GLN B NE2 5608 N N . PHE B 83 ? 0.8825 0.6584 0.7036 -0.1671 0.1421 -0.0484 83 PHE B N 5609 C CA . PHE B 83 ? 0.8806 0.6616 0.7047 -0.1678 0.1459 -0.0481 83 PHE B CA 5610 C C . PHE B 83 ? 0.8468 0.6555 0.6952 -0.1745 0.1465 -0.0534 83 PHE B C 5611 O O . PHE B 83 ? 0.8238 0.6517 0.6892 -0.1733 0.1403 -0.0557 83 PHE B O 5612 C CB . PHE B 83 ? 0.8849 0.6662 0.7064 -0.1551 0.1395 -0.0429 83 PHE B CB 5613 C CG . PHE B 83 ? 0.9224 0.6763 0.7187 -0.1480 0.1397 -0.0381 83 PHE B CG 5614 C CD1 . PHE B 83 ? 0.9465 0.6744 0.7213 -0.1538 0.1477 -0.0381 83 PHE B CD1 5615 C CD2 . PHE B 83 ? 0.9196 0.6736 0.7134 -0.1354 0.1320 -0.0339 83 PHE B CD2 5616 C CE1 . PHE B 83 ? 0.9711 0.6733 0.7216 -0.1464 0.1476 -0.0339 83 PHE B CE1 5617 C CE2 . PHE B 83 ? 0.9386 0.6684 0.7094 -0.1282 0.1317 -0.0300 83 PHE B CE2 5618 C CZ . PHE B 83 ? 0.9676 0.6713 0.7164 -0.1332 0.1393 -0.0299 83 PHE B CZ 5619 N N . THR B 84 ? 0.8395 0.6498 0.6889 -0.1811 0.1539 -0.0554 84 THR B N 5620 C CA . THR B 84 ? 0.8279 0.6642 0.6995 -0.1877 0.1554 -0.0610 84 THR B CA 5621 C C . THR B 84 ? 0.8105 0.6682 0.6981 -0.1789 0.1479 -0.0597 84 THR B C 5622 O O . THR B 84 ? 0.8023 0.6843 0.7103 -0.1803 0.1445 -0.0637 84 THR B O 5623 C CB . THR B 84 ? 0.8414 0.6723 0.7086 -0.1985 0.1667 -0.0641 84 THR B CB 5624 O OG1 . THR B 84 ? 0.8536 0.6693 0.7059 -0.1934 0.1693 -0.0593 84 THR B OG1 5625 C CG2 . THR B 84 ? 0.8612 0.6742 0.7157 -0.2095 0.1747 -0.0670 84 THR B CG2 5626 N N . ASP B 85 ? 0.7910 0.6392 0.6687 -0.1699 0.1456 -0.0542 85 ASP B N 5627 C CA . ASP B 85 ? 0.7735 0.6383 0.6633 -0.1609 0.1384 -0.0522 85 ASP B CA 5628 C C . ASP B 85 ? 0.7531 0.6277 0.6516 -0.1534 0.1284 -0.0510 85 ASP B C 5629 O O . ASP B 85 ? 0.7360 0.5963 0.6224 -0.1471 0.1248 -0.0471 85 ASP B O 5630 C CB . ASP B 85 ? 0.7706 0.6200 0.6453 -0.1538 0.1390 -0.0470 85 ASP B CB 5631 C CG . ASP B 85 ? 0.7472 0.6131 0.6338 -0.1459 0.1331 -0.0455 85 ASP B CG 5632 O OD1 . ASP B 85 ? 0.7383 0.6249 0.6425 -0.1435 0.1268 -0.0472 85 ASP B OD1 5633 O OD2 . ASP B 85 ? 0.7338 0.5908 0.6109 -0.1419 0.1347 -0.0425 85 ASP B OD2 5634 N N . PRO B 86 ? 0.7464 0.6453 0.6654 -0.1538 0.1241 -0.0546 86 PRO B N 5635 C CA . PRO B 86 ? 0.7341 0.6427 0.6615 -0.1468 0.1151 -0.0535 86 PRO B CA 5636 C C . PRO B 86 ? 0.7176 0.6246 0.6421 -0.1355 0.1086 -0.0482 86 PRO B C 5637 O O . PRO B 86 ? 0.7202 0.6246 0.6427 -0.1293 0.1026 -0.0457 86 PRO B O 5638 C CB . PRO B 86 ? 0.7165 0.6509 0.6653 -0.1497 0.1129 -0.0587 86 PRO B CB 5639 C CG . PRO B 86 ? 0.7292 0.6699 0.6819 -0.1539 0.1187 -0.0608 86 PRO B CG 5640 C CD . PRO B 86 ? 0.7405 0.6591 0.6754 -0.1599 0.1273 -0.0597 86 PRO B CD 5641 N N . GLN B 87 ? 0.7100 0.6189 0.6344 -0.1332 0.1100 -0.0468 87 GLN B N 5642 C CA . GLN B 87 ? 0.7004 0.6085 0.6225 -0.1232 0.1045 -0.0424 87 GLN B CA 5643 C C . GLN B 87 ? 0.6989 0.5847 0.6017 -0.1181 0.1041 -0.0379 87 GLN B C 5644 O O . GLN B 87 ? 0.6791 0.5644 0.5807 -0.1096 0.0976 -0.0348 87 GLN B O 5645 C CB . GLN B 87 ? 0.7313 0.6455 0.6567 -0.1234 0.1074 -0.0426 87 GLN B CB 5646 C CG . GLN B 87 ? 0.7543 0.6760 0.6844 -0.1143 0.1011 -0.0397 87 GLN B CG 5647 C CD . GLN B 87 ? 0.7920 0.7262 0.7310 -0.1156 0.1032 -0.0415 87 GLN B CD 5648 O OE1 . GLN B 87 ? 0.8164 0.7668 0.7690 -0.1202 0.1043 -0.0458 87 GLN B OE1 5649 N NE2 . GLN B 87 ? 0.7936 0.7205 0.7248 -0.1111 0.1037 -0.0386 87 GLN B NE2 5650 N N . LEU B 88 ? 0.7206 0.5879 0.6081 -0.1233 0.1112 -0.0379 88 LEU B N 5651 C CA . LEU B 88 ? 0.7145 0.5586 0.5815 -0.1188 0.1116 -0.0341 88 LEU B CA 5652 C C . LEU B 88 ? 0.7084 0.5481 0.5728 -0.1167 0.1075 -0.0337 88 LEU B C 5653 O O . LEU B 88 ? 0.6920 0.5222 0.5469 -0.1085 0.1029 -0.0303 88 LEU B O 5654 C CB . LEU B 88 ? 0.7219 0.5462 0.5720 -0.1254 0.1210 -0.0344 88 LEU B CB 5655 C CG . LEU B 88 ? 0.7370 0.5341 0.5629 -0.1214 0.1225 -0.0310 88 LEU B CG 5656 C CD1 . LEU B 88 ? 0.7367 0.5281 0.5546 -0.1106 0.1180 -0.0269 88 LEU B CD1 5657 C CD2 . LEU B 88 ? 0.7468 0.5247 0.5570 -0.1302 0.1329 -0.0322 88 LEU B CD2 5658 N N . ARG B 89 ? 0.7095 0.5564 0.5822 -0.1241 0.1091 -0.0374 89 ARG B N 5659 C CA . ARG B 89 ? 0.7343 0.5791 0.6064 -0.1225 0.1050 -0.0374 89 ARG B CA 5660 C C . ARG B 89 ? 0.7051 0.5623 0.5867 -0.1131 0.0959 -0.0353 89 ARG B C 5661 O O . ARG B 89 ? 0.6853 0.5339 0.5591 -0.1072 0.0920 -0.0330 89 ARG B O 5662 C CB . ARG B 89 ? 0.7635 0.6182 0.6463 -0.1319 0.1075 -0.0424 89 ARG B CB 5663 C CG . ARG B 89 ? 0.8188 0.6575 0.6895 -0.1417 0.1163 -0.0446 89 ARG B CG 5664 C CD . ARG B 89 ? 0.8480 0.6922 0.7256 -0.1488 0.1168 -0.0489 89 ARG B CD 5665 N NE . ARG B 89 ? 0.8456 0.7163 0.7459 -0.1501 0.1128 -0.0527 89 ARG B NE 5666 C CZ . ARG B 89 ? 0.8566 0.7423 0.7696 -0.1570 0.1165 -0.0571 89 ARG B CZ 5667 N NH1 . ARG B 89 ? 0.8690 0.7463 0.7751 -0.1640 0.1249 -0.0583 89 ARG B NH1 5668 N NH2 . ARG B 89 ? 0.8497 0.7586 0.7820 -0.1565 0.1119 -0.0604 89 ARG B NH2 5669 N N . ARG B 90 ? 0.6895 0.5665 0.5875 -0.1117 0.0928 -0.0363 90 ARG B N 5670 C CA . ARG B 90 ? 0.7136 0.6029 0.6213 -0.1035 0.0848 -0.0346 90 ARG B CA 5671 C C . ARG B 90 ? 0.6984 0.5775 0.5953 -0.0946 0.0817 -0.0303 90 ARG B C 5672 O O . ARG B 90 ? 0.6957 0.5751 0.5923 -0.0882 0.0761 -0.0285 90 ARG B O 5673 C CB . ARG B 90 ? 0.7311 0.6418 0.6567 -0.1041 0.0829 -0.0366 90 ARG B CB 5674 C CG . ARG B 90 ? 0.7729 0.6973 0.7115 -0.1110 0.0839 -0.0413 90 ARG B CG 5675 C CD . ARG B 90 ? 0.7886 0.7312 0.7416 -0.1125 0.0840 -0.0439 90 ARG B CD 5676 N NE . ARG B 90 ? 0.8019 0.7571 0.7645 -0.1051 0.0771 -0.0425 90 ARG B NE 5677 C CZ . ARG B 90 ? 0.7997 0.7702 0.7752 -0.1043 0.0730 -0.0449 90 ARG B CZ 5678 N NH1 . ARG B 90 ? 0.8135 0.7902 0.7950 -0.1103 0.0745 -0.0491 90 ARG B NH1 5679 N NH2 . ARG B 90 ? 0.7824 0.7616 0.7644 -0.0976 0.0673 -0.0432 90 ARG B NH2 5680 N N . ILE B 91 ? 0.6677 0.5378 0.5556 -0.0943 0.0853 -0.0289 91 ILE B N 5681 C CA . ILE B 91 ? 0.6410 0.5012 0.5181 -0.0858 0.0825 -0.0254 91 ILE B CA 5682 C C . ILE B 91 ? 0.6442 0.4861 0.5047 -0.0820 0.0818 -0.0236 91 ILE B C 5683 O O . ILE B 91 ? 0.6160 0.4579 0.4749 -0.0739 0.0761 -0.0217 91 ILE B O 5684 C CB . ILE B 91 ? 0.6440 0.4974 0.5138 -0.0862 0.0868 -0.0246 91 ILE B CB 5685 C CG1 . ILE B 91 ? 0.6254 0.4978 0.5115 -0.0875 0.0860 -0.0259 91 ILE B CG1 5686 C CG2 . ILE B 91 ? 0.6419 0.4830 0.4983 -0.0772 0.0839 -0.0213 91 ILE B CG2 5687 C CD1 . ILE B 91 ? 0.6404 0.5085 0.5220 -0.0913 0.0921 -0.0264 91 ILE B CD1 5688 N N . ILE B 92 ? 0.6535 0.4800 0.5018 -0.0878 0.0878 -0.0244 92 ILE B N 5689 C CA . ILE B 92 ? 0.6836 0.4901 0.5135 -0.0840 0.0878 -0.0227 92 ILE B CA 5690 C C . ILE B 92 ? 0.6901 0.5025 0.5258 -0.0811 0.0824 -0.0229 92 ILE B C 5691 O O . ILE B 92 ? 0.6700 0.4736 0.4959 -0.0735 0.0786 -0.0209 92 ILE B O 5692 C CB . ILE B 92 ? 0.7106 0.4972 0.5245 -0.0915 0.0962 -0.0236 92 ILE B CB 5693 C CG1 . ILE B 92 ? 0.7334 0.5113 0.5385 -0.0928 0.1015 -0.0227 92 ILE B CG1 5694 C CG2 . ILE B 92 ? 0.7075 0.4731 0.5021 -0.0875 0.0959 -0.0220 92 ILE B CG2 5695 C CD1 . ILE B 92 ? 0.7857 0.5456 0.5767 -0.1017 0.1109 -0.0240 92 ILE B CD1 5696 N N . GLY B 93 ? 0.6939 0.5215 0.5451 -0.0869 0.0820 -0.0255 93 GLY B N 5697 C CA . GLY B 93 ? 0.6945 0.5308 0.5538 -0.0843 0.0766 -0.0260 93 GLY B CA 5698 C C . GLY B 93 ? 0.6914 0.5377 0.5573 -0.0749 0.0694 -0.0239 93 GLY B C 5699 O O . GLY B 93 ? 0.7041 0.5484 0.5672 -0.0694 0.0653 -0.0229 93 GLY B O 5700 N N . ALA B 94 ? 0.6832 0.5402 0.5576 -0.0732 0.0682 -0.0235 94 ALA B N 5701 C CA . ALA B 94 ? 0.6693 0.5348 0.5491 -0.0649 0.0620 -0.0217 94 ALA B CA 5702 C C . ALA B 94 ? 0.6688 0.5190 0.5323 -0.0573 0.0605 -0.0195 94 ALA B C 5703 O O . ALA B 94 ? 0.6435 0.4953 0.5069 -0.0511 0.0557 -0.0187 94 ALA B O 5704 C CB . ALA B 94 ? 0.6558 0.5334 0.5459 -0.0651 0.0616 -0.0219 94 ALA B CB 5705 N N . VAL B 95 ? 0.6774 0.5124 0.5267 -0.0578 0.0648 -0.0187 95 VAL B N 5706 C CA . VAL B 95 ? 0.6737 0.4928 0.5058 -0.0501 0.0635 -0.0168 95 VAL B CA 5707 C C . VAL B 95 ? 0.6803 0.4880 0.5013 -0.0466 0.0621 -0.0164 95 VAL B C 5708 O O . VAL B 95 ? 0.6558 0.4605 0.4710 -0.0379 0.0575 -0.0154 95 VAL B O 5709 C CB . VAL B 95 ? 0.6899 0.4922 0.5065 -0.0521 0.0694 -0.0161 95 VAL B CB 5710 C CG1 . VAL B 95 ? 0.7067 0.4923 0.5046 -0.0429 0.0675 -0.0143 95 VAL B CG1 5711 C CG2 . VAL B 95 ? 0.6776 0.4908 0.5042 -0.0547 0.0707 -0.0163 95 VAL B CG2 5712 N N . ARG B 96 ? 0.6922 0.4937 0.5105 -0.0535 0.0660 -0.0175 96 ARG B N 5713 C CA . ARG B 96 ? 0.7239 0.5136 0.5311 -0.0510 0.0651 -0.0173 96 ARG B CA 5714 C C . ARG B 96 ? 0.7084 0.5123 0.5276 -0.0464 0.0587 -0.0176 96 ARG B C 5715 O O . ARG B 96 ? 0.7134 0.5086 0.5235 -0.0423 0.0569 -0.0173 96 ARG B O 5716 C CB . ARG B 96 ? 0.7719 0.5507 0.5728 -0.0603 0.0713 -0.0188 96 ARG B CB 5717 C CG . ARG B 96 ? 0.8115 0.6076 0.6311 -0.0681 0.0715 -0.0212 96 ARG B CG 5718 C CD . ARG B 96 ? 0.8796 0.6658 0.6929 -0.0748 0.0752 -0.0229 96 ARG B CD 5719 N NE . ARG B 96 ? 0.9089 0.6860 0.7128 -0.0689 0.0719 -0.0220 96 ARG B NE 5720 C CZ . ARG B 96 ? 0.9164 0.7061 0.7310 -0.0652 0.0664 -0.0222 96 ARG B CZ 5721 N NH1 . ARG B 96 ? 0.9366 0.7481 0.7714 -0.0665 0.0634 -0.0232 96 ARG B NH1 5722 N NH2 . ARG B 96 ? 0.8974 0.6772 0.7016 -0.0598 0.0639 -0.0214 96 ARG B NH2 5723 N N . THR B 97 ? 0.6747 0.4994 0.5131 -0.0472 0.0557 -0.0182 97 THR B N 5724 C CA . THR B 97 ? 0.6567 0.4954 0.5067 -0.0427 0.0499 -0.0184 97 THR B CA 5725 C C . THR B 97 ? 0.6189 0.4619 0.4690 -0.0337 0.0452 -0.0172 97 THR B C 5726 O O . THR B 97 ? 0.5931 0.4455 0.4513 -0.0335 0.0443 -0.0171 97 THR B O 5727 C CB . THR B 97 ? 0.6514 0.5093 0.5211 -0.0482 0.0492 -0.0198 97 THR B CB 5728 O OG1 . THR B 97 ? 0.6966 0.5516 0.5666 -0.0561 0.0530 -0.0215 97 THR B OG1 5729 C CG2 . THR B 97 ? 0.6490 0.5203 0.5295 -0.0434 0.0437 -0.0198 97 THR B CG2 5730 N N . LEU B 98 ? 0.5920 0.4283 0.4331 -0.0264 0.0421 -0.0167 98 LEU B N 5731 C CA . LEU B 98 ? 0.5825 0.4214 0.4217 -0.0174 0.0376 -0.0163 98 LEU B CA 5732 C C . LEU B 98 ? 0.5616 0.4200 0.4172 -0.0144 0.0326 -0.0170 98 LEU B C 5733 O O . LEU B 98 ? 0.5586 0.4242 0.4181 -0.0093 0.0294 -0.0171 98 LEU B O 5734 C CB . LEU B 98 ? 0.5983 0.4204 0.4187 -0.0100 0.0366 -0.0159 98 LEU B CB 5735 C CG . LEU B 98 ? 0.6248 0.4263 0.4255 -0.0090 0.0403 -0.0150 98 LEU B CG 5736 C CD1 . LEU B 98 ? 0.6377 0.4261 0.4308 -0.0180 0.0468 -0.0148 98 LEU B CD1 5737 C CD2 . LEU B 98 ? 0.6302 0.4186 0.4139 0.0012 0.0374 -0.0148 98 LEU B CD2 5738 N N . GLY B 99 ? 0.5472 0.4137 0.4122 -0.0176 0.0321 -0.0175 99 GLY B N 5739 C CA . GLY B 99 ? 0.5226 0.4062 0.4022 -0.0152 0.0281 -0.0181 99 GLY B CA 5740 C C . GLY B 99 ? 0.5046 0.3885 0.3797 -0.0061 0.0239 -0.0184 99 GLY B C 5741 O O . GLY B 99 ? 0.5197 0.3917 0.3818 -0.0018 0.0236 -0.0183 99 GLY B O 5742 N N . SER B 100 ? 0.4805 0.3779 0.3661 -0.0031 0.0207 -0.0191 100 SER B N 5743 C CA . SER B 100 ? 0.4808 0.3819 0.3647 0.0052 0.0165 -0.0201 100 SER B CA 5744 C C . SER B 100 ? 0.5090 0.3962 0.3764 0.0119 0.0158 -0.0202 100 SER B C 5745 O O . SER B 100 ? 0.5287 0.4168 0.3921 0.0198 0.0123 -0.0215 100 SER B O 5746 C CB . SER B 100 ? 0.4696 0.3882 0.3687 0.0058 0.0138 -0.0212 100 SER B CB 5747 O OG . SER B 100 ? 0.4669 0.3853 0.3656 0.0056 0.0139 -0.0211 100 SER B OG 5748 N N . ALA B 101 ? 0.5205 0.3947 0.3779 0.0088 0.0193 -0.0190 101 ALA B N 5749 C CA . ALA B 101 ? 0.5452 0.4027 0.3839 0.0149 0.0194 -0.0188 101 ALA B CA 5750 C C . ALA B 101 ? 0.5589 0.4012 0.3825 0.0179 0.0202 -0.0185 101 ALA B C 5751 O O . ALA B 101 ? 0.5773 0.4068 0.3849 0.0255 0.0189 -0.0187 101 ALA B O 5752 C CB . ALA B 101 ? 0.5494 0.3972 0.3817 0.0104 0.0234 -0.0176 101 ALA B CB 5753 N N . ASN B 102 ? 0.5467 0.3900 0.3747 0.0124 0.0221 -0.0181 102 ASN B N 5754 C CA . ASN B 102 ? 0.5648 0.3953 0.3800 0.0152 0.0224 -0.0180 102 ASN B CA 5755 C C . ASN B 102 ? 0.5639 0.4004 0.3789 0.0248 0.0173 -0.0194 102 ASN B C 5756 O O . ASN B 102 ? 0.5777 0.4017 0.3786 0.0300 0.0168 -0.0195 102 ASN B O 5757 C CB . ASN B 102 ? 0.5566 0.3884 0.3780 0.0070 0.0253 -0.0177 102 ASN B CB 5758 C CG . ASN B 102 ? 0.5752 0.3959 0.3911 -0.0017 0.0309 -0.0169 102 ASN B CG 5759 O OD1 . ASN B 102 ? 0.5929 0.3949 0.3913 -0.0010 0.0338 -0.0162 102 ASN B OD1 5760 N ND2 . ASN B 102 ? 0.5452 0.3773 0.3758 -0.0100 0.0327 -0.0172 102 ASN B ND2 5761 N N . LEU B 103 ? 0.5411 0.3966 0.3715 0.0271 0.0137 -0.0207 103 LEU B N 5762 C CA . LEU B 103 ? 0.5447 0.4092 0.3776 0.0358 0.0090 -0.0226 103 LEU B CA 5763 C C . LEU B 103 ? 0.5604 0.4168 0.3795 0.0458 0.0060 -0.0239 103 LEU B C 5764 O O . LEU B 103 ? 0.5705 0.4225 0.3854 0.0462 0.0064 -0.0236 103 LEU B O 5765 C CB . LEU B 103 ? 0.5208 0.4082 0.3747 0.0341 0.0066 -0.0240 103 LEU B CB 5766 C CG . LEU B 103 ? 0.5107 0.4096 0.3798 0.0265 0.0082 -0.0234 103 LEU B CG 5767 C CD1 . LEU B 103 ? 0.4907 0.4095 0.3777 0.0254 0.0063 -0.0247 103 LEU B CD1 5768 C CD2 . LEU B 103 ? 0.5010 0.3982 0.3675 0.0286 0.0078 -0.0236 103 LEU B CD2 5769 N N . PRO B 104 ? 0.5809 0.4355 0.3928 0.0546 0.0028 -0.0254 104 PRO B N 5770 C CA . PRO B 104 ? 0.6055 0.4559 0.4062 0.0656 -0.0010 -0.0274 104 PRO B CA 5771 C C . PRO B 104 ? 0.5929 0.4632 0.4093 0.0673 -0.0045 -0.0297 104 PRO B C 5772 O O . PRO B 104 ? 0.5583 0.4458 0.3936 0.0611 -0.0042 -0.0300 104 PRO B O 5773 C CB . PRO B 104 ? 0.6194 0.4687 0.4138 0.0737 -0.0038 -0.0290 104 PRO B CB 5774 C CG . PRO B 104 ? 0.6039 0.4656 0.4136 0.0672 -0.0025 -0.0285 104 PRO B CG 5775 C CD . PRO B 104 ? 0.5929 0.4505 0.4070 0.0554 0.0023 -0.0258 104 PRO B CD 5776 N N . LEU B 105 ? 0.6015 0.4687 0.4093 0.0756 -0.0077 -0.0315 105 LEU B N 5777 C CA . LEU B 105 ? 0.6087 0.4927 0.4297 0.0769 -0.0109 -0.0340 105 LEU B CA 5778 C C . LEU B 105 ? 0.5813 0.4893 0.4227 0.0765 -0.0136 -0.0367 105 LEU B C 5779 O O . LEU B 105 ? 0.5418 0.4645 0.3997 0.0704 -0.0132 -0.0371 105 LEU B O 5780 C CB . LEU B 105 ? 0.6507 0.5276 0.4578 0.0878 -0.0148 -0.0362 105 LEU B CB 5781 C CG . LEU B 105 ? 0.6722 0.5683 0.4925 0.0915 -0.0195 -0.0401 105 LEU B CG 5782 C CD1 . LEU B 105 ? 0.6924 0.5793 0.5020 0.0955 -0.0207 -0.0403 105 LEU B CD1 5783 C CD2 . LEU B 105 ? 0.6814 0.5908 0.5058 0.1009 -0.0247 -0.0446 105 LEU B CD2 5784 N N . ALA B 106 ? 0.5668 0.4783 0.4064 0.0829 -0.0160 -0.0387 106 ALA B N 5785 C CA . ALA B 106 ? 0.5533 0.4872 0.4111 0.0833 -0.0183 -0.0418 106 ALA B CA 5786 C C . ALA B 106 ? 0.5316 0.4744 0.4050 0.0721 -0.0145 -0.0396 106 ALA B C 5787 O O . ALA B 106 ? 0.5173 0.4782 0.4081 0.0683 -0.0150 -0.0413 106 ALA B O 5788 C CB . ALA B 106 ? 0.5564 0.4907 0.4078 0.0925 -0.0210 -0.0442 106 ALA B CB 5789 N N . LYS B 107 ? 0.5293 0.4589 0.3959 0.0668 -0.0106 -0.0361 107 LYS B N 5790 C CA . LYS B 107 ? 0.5013 0.4375 0.3808 0.0567 -0.0072 -0.0340 107 LYS B CA 5791 C C . LYS B 107 ? 0.4968 0.4353 0.3838 0.0487 -0.0050 -0.0324 107 LYS B C 5792 O O . LYS B 107 ? 0.4733 0.4232 0.3749 0.0418 -0.0035 -0.0320 107 LYS B O 5793 C CB . LYS B 107 ? 0.5070 0.4293 0.3771 0.0539 -0.0042 -0.0314 107 LYS B CB 5794 C CG . LYS B 107 ? 0.5127 0.4377 0.3812 0.0595 -0.0059 -0.0329 107 LYS B CG 5795 C CD . LYS B 107 ? 0.5234 0.4319 0.3797 0.0575 -0.0031 -0.0304 107 LYS B CD 5796 C CE . LYS B 107 ? 0.5273 0.4404 0.3851 0.0611 -0.0042 -0.0315 107 LYS B CE 5797 N NZ . LYS B 107 ? 0.5391 0.4387 0.3891 0.0563 -0.0010 -0.0289 107 LYS B NZ 5798 N N . ARG B 108 ? 0.4958 0.4229 0.3722 0.0502 -0.0048 -0.0317 108 ARG B N 5799 C CA . ARG B 108 ? 0.5076 0.4378 0.3907 0.0443 -0.0034 -0.0308 108 ARG B CA 5800 C C . ARG B 108 ? 0.4866 0.4360 0.3851 0.0450 -0.0063 -0.0336 108 ARG B C 5801 O O . ARG B 108 ? 0.4739 0.4325 0.3850 0.0381 -0.0048 -0.0329 108 ARG B O 5802 C CB . ARG B 108 ? 0.5237 0.4382 0.3913 0.0472 -0.0030 -0.0299 108 ARG B CB 5803 C CG . ARG B 108 ? 0.5563 0.4517 0.4106 0.0430 0.0014 -0.0268 108 ARG B CG 5804 C CD . ARG B 108 ? 0.5680 0.4495 0.4092 0.0443 0.0026 -0.0258 108 ARG B CD 5805 N NE . ARG B 108 ? 0.6032 0.4635 0.4269 0.0429 0.0065 -0.0236 108 ARG B NE 5806 C CZ . ARG B 108 ? 0.6164 0.4596 0.4235 0.0452 0.0081 -0.0227 108 ARG B CZ 5807 N NH1 . ARG B 108 ? 0.6059 0.4510 0.4116 0.0495 0.0058 -0.0237 108 ARG B NH1 5808 N NH2 . ARG B 108 ? 0.6484 0.4722 0.4398 0.0431 0.0122 -0.0208 108 ARG B NH2 5809 N N . GLN B 109 ? 0.4938 0.4491 0.3908 0.0536 -0.0105 -0.0369 109 GLN B N 5810 C CA . GLN B 109 ? 0.4917 0.4659 0.4032 0.0545 -0.0134 -0.0404 109 GLN B CA 5811 C C . GLN B 109 ? 0.4599 0.4488 0.3874 0.0490 -0.0121 -0.0409 109 GLN B C 5812 O O . GLN B 109 ? 0.4545 0.4547 0.3950 0.0435 -0.0114 -0.0415 109 GLN B O 5813 C CB . GLN B 109 ? 0.5220 0.5000 0.4284 0.0653 -0.0183 -0.0446 109 GLN B CB 5814 C CG . GLN B 109 ? 0.5711 0.5375 0.4638 0.0711 -0.0203 -0.0449 109 GLN B CG 5815 C CD . GLN B 109 ? 0.6121 0.5813 0.4981 0.0830 -0.0256 -0.0493 109 GLN B CD 5816 O OE1 . GLN B 109 ? 0.6532 0.6218 0.5345 0.0886 -0.0269 -0.0505 109 GLN B OE1 5817 N NE2 . GLN B 109 ? 0.6196 0.5921 0.5048 0.0872 -0.0289 -0.0520 109 GLN B NE2 5818 N N . GLN B 110 ? 0.4511 0.4389 0.3767 0.0505 -0.0115 -0.0407 110 GLN B N 5819 C CA . GLN B 110 ? 0.4362 0.4361 0.3750 0.0457 -0.0098 -0.0409 110 GLN B CA 5820 C C . GLN B 110 ? 0.4188 0.4179 0.3646 0.0357 -0.0060 -0.0376 110 GLN B C 5821 O O . GLN B 110 ? 0.4025 0.4138 0.3614 0.0309 -0.0051 -0.0383 110 GLN B O 5822 C CB . GLN B 110 ? 0.4626 0.4583 0.3954 0.0495 -0.0097 -0.0407 110 GLN B CB 5823 C CG . GLN B 110 ? 0.4782 0.4870 0.4237 0.0463 -0.0084 -0.0415 110 GLN B CG 5824 C CD . GLN B 110 ? 0.5061 0.5086 0.4442 0.0496 -0.0079 -0.0408 110 GLN B CD 5825 O OE1 . GLN B 110 ? 0.5205 0.5090 0.4438 0.0548 -0.0088 -0.0400 110 GLN B OE1 5826 N NE2 . GLN B 110 ? 0.4922 0.5040 0.4397 0.0467 -0.0063 -0.0411 110 GLN B NE2 5827 N N . TYR B 111 ? 0.4113 0.3957 0.3475 0.0328 -0.0038 -0.0344 111 TYR B N 5828 C CA . TYR B 111 ? 0.4043 0.3872 0.3458 0.0242 -0.0005 -0.0317 111 TYR B CA 5829 C C . TYR B 111 ? 0.3927 0.3840 0.3435 0.0207 -0.0007 -0.0323 111 TYR B C 5830 O O . TYR B 111 ? 0.3840 0.3843 0.3461 0.0151 0.0006 -0.0320 111 TYR B O 5831 C CB . TYR B 111 ? 0.4206 0.3866 0.3494 0.0225 0.0016 -0.0290 111 TYR B CB 5832 C CG . TYR B 111 ? 0.4304 0.3945 0.3637 0.0141 0.0050 -0.0266 111 TYR B CG 5833 C CD1 . TYR B 111 ? 0.4282 0.3914 0.3637 0.0100 0.0071 -0.0254 111 TYR B CD1 5834 C CD2 . TYR B 111 ? 0.4270 0.3902 0.3618 0.0106 0.0060 -0.0259 111 TYR B CD2 5835 C CE1 . TYR B 111 ? 0.4341 0.3964 0.3738 0.0028 0.0098 -0.0237 111 TYR B CE1 5836 C CE2 . TYR B 111 ? 0.4308 0.3931 0.3697 0.0034 0.0089 -0.0241 111 TYR B CE2 5837 C CZ . TYR B 111 ? 0.4367 0.3990 0.3783 -0.0002 0.0107 -0.0232 111 TYR B CZ 5838 O OH . TYR B 111 ? 0.4554 0.4176 0.4012 -0.0068 0.0132 -0.0220 111 TYR B OH 5839 N N . ASN B 112 ? 0.3888 0.3761 0.3336 0.0242 -0.0024 -0.0331 112 ASN B N 5840 C CA . ASN B 112 ? 0.3745 0.3683 0.3262 0.0217 -0.0030 -0.0338 112 ASN B CA 5841 C C . ASN B 112 ? 0.3491 0.3598 0.3145 0.0213 -0.0046 -0.0369 112 ASN B C 5842 O O . ASN B 112 ? 0.3394 0.3570 0.3142 0.0159 -0.0035 -0.0367 112 ASN B O 5843 C CB . ASN B 112 ? 0.3737 0.3597 0.3151 0.0270 -0.0050 -0.0346 112 ASN B CB 5844 C CG . ASN B 112 ? 0.4057 0.3739 0.3330 0.0264 -0.0025 -0.0316 112 ASN B CG 5845 O OD1 . ASN B 112 ? 0.3837 0.3468 0.3111 0.0204 0.0008 -0.0290 112 ASN B OD1 5846 N ND2 . ASN B 112 ? 0.4142 0.3727 0.3287 0.0327 -0.0043 -0.0322 112 ASN B ND2 5847 N N . ALA B 113 ? 0.3535 0.3707 0.3197 0.0270 -0.0070 -0.0398 113 ALA B N 5848 C CA . ALA B 113 ? 0.3487 0.3826 0.3282 0.0263 -0.0080 -0.0432 113 ALA B CA 5849 C C . ALA B 113 ? 0.3503 0.3899 0.3392 0.0196 -0.0048 -0.0418 113 ALA B C 5850 O O . ALA B 113 ? 0.3392 0.3899 0.3392 0.0157 -0.0041 -0.0435 113 ALA B O 5851 C CB . ALA B 113 ? 0.3531 0.3932 0.3310 0.0343 -0.0113 -0.0470 113 ALA B CB 5852 N N . LEU B 114 ? 0.3552 0.3865 0.3389 0.0184 -0.0027 -0.0390 114 LEU B N 5853 C CA . LEU B 114 ? 0.3643 0.3992 0.3551 0.0126 0.0002 -0.0375 114 LEU B CA 5854 C C . LEU B 114 ? 0.3544 0.3889 0.3502 0.0056 0.0023 -0.0355 114 LEU B C 5855 O O . LEU B 114 ? 0.3360 0.3783 0.3408 0.0014 0.0038 -0.0360 114 LEU B O 5856 C CB . LEU B 114 ? 0.3703 0.3960 0.3538 0.0133 0.0015 -0.0352 114 LEU B CB 5857 C CG . LEU B 114 ? 0.3816 0.4101 0.3626 0.0194 0.0000 -0.0372 114 LEU B CG 5858 C CD1 . LEU B 114 ? 0.3915 0.4078 0.3624 0.0205 0.0010 -0.0348 114 LEU B CD1 5859 C CD2 . LEU B 114 ? 0.3698 0.4123 0.3623 0.0179 0.0009 -0.0394 114 LEU B CD2 5860 N N . LEU B 115 ? 0.3657 0.3907 0.3550 0.0046 0.0025 -0.0335 115 LEU B N 5861 C CA . LEU B 115 ? 0.3668 0.3913 0.3601 -0.0011 0.0043 -0.0318 115 LEU B CA 5862 C C . LEU B 115 ? 0.3703 0.4049 0.3722 -0.0025 0.0034 -0.0341 115 LEU B C 5863 O O . LEU B 115 ? 0.3718 0.4106 0.3805 -0.0074 0.0051 -0.0336 115 LEU B O 5864 C CB . LEU B 115 ? 0.3709 0.3844 0.3557 -0.0013 0.0046 -0.0299 115 LEU B CB 5865 C CG . LEU B 115 ? 0.3916 0.3931 0.3662 -0.0005 0.0059 -0.0279 115 LEU B CG 5866 C CD1 . LEU B 115 ? 0.3965 0.3888 0.3649 -0.0026 0.0072 -0.0262 115 LEU B CD1 5867 C CD2 . LEU B 115 ? 0.3914 0.3932 0.3689 -0.0039 0.0078 -0.0267 115 LEU B CD2 5868 N N . SER B 116 ? 0.3711 0.4093 0.3721 0.0021 0.0006 -0.0368 116 SER B N 5869 C CA . SER B 116 ? 0.3519 0.3997 0.3605 0.0012 -0.0006 -0.0396 116 SER B CA 5870 C C . SER B 116 ? 0.3323 0.3914 0.3511 -0.0017 0.0006 -0.0416 116 SER B C 5871 O O . SER B 116 ? 0.3203 0.3841 0.3460 -0.0066 0.0020 -0.0421 116 SER B O 5872 C CB . SER B 116 ? 0.3716 0.4209 0.3762 0.0078 -0.0043 -0.0426 116 SER B CB 5873 O OG . SER B 116 ? 0.3876 0.4454 0.3989 0.0068 -0.0058 -0.0455 116 SER B OG 5874 N N . GLN B 117 ? 0.3218 0.3844 0.3410 0.0011 0.0005 -0.0428 117 GLN B N 5875 C CA A GLN B 117 ? 0.3154 0.3888 0.3438 -0.0012 0.0021 -0.0450 117 GLN B CA 5876 C CA B GLN B 117 ? 0.3126 0.3860 0.3411 -0.0014 0.0021 -0.0450 117 GLN B CA 5877 C C . GLN B 117 ? 0.3004 0.3710 0.3313 -0.0074 0.0059 -0.0421 117 GLN B C 5878 O O . GLN B 117 ? 0.2845 0.3617 0.3227 -0.0118 0.0079 -0.0433 117 GLN B O 5879 C CB A GLN B 117 ? 0.3278 0.4050 0.3549 0.0041 0.0010 -0.0469 117 GLN B CB 5880 C CB B GLN B 117 ? 0.3209 0.3999 0.3494 0.0040 0.0008 -0.0475 117 GLN B CB 5881 C CG A GLN B 117 ? 0.3476 0.4290 0.3723 0.0113 -0.0030 -0.0505 117 GLN B CG 5882 C CG B GLN B 117 ? 0.3285 0.4155 0.3582 0.0097 -0.0029 -0.0521 117 GLN B CG 5883 C CD A GLN B 117 ? 0.3576 0.4418 0.3799 0.0173 -0.0041 -0.0523 117 GLN B CD 5884 C CD B GLN B 117 ? 0.3247 0.4230 0.3646 0.0059 -0.0030 -0.0556 117 GLN B CD 5885 O OE1 A GLN B 117 ? 0.3618 0.4527 0.3899 0.0155 -0.0020 -0.0531 117 GLN B OE1 5886 O OE1 B GLN B 117 ? 0.3249 0.4316 0.3735 0.0012 -0.0004 -0.0571 117 GLN B OE1 5887 N NE2 A GLN B 117 ? 0.3664 0.4448 0.3792 0.0248 -0.0073 -0.0528 117 GLN B NE2 5888 N NE2 B GLN B 117 ? 0.3263 0.4243 0.3645 0.0080 -0.0059 -0.0571 117 GLN B NE2 5889 N N . MET B 118 ? 0.2933 0.3537 0.3176 -0.0077 0.0069 -0.0385 118 MET B N 5890 C CA . MET B 118 ? 0.2823 0.3394 0.3079 -0.0128 0.0099 -0.0359 118 MET B CA 5891 C C . MET B 118 ? 0.2755 0.3319 0.3039 -0.0174 0.0109 -0.0351 118 MET B C 5892 O O . MET B 118 ? 0.2674 0.3258 0.2998 -0.0216 0.0132 -0.0347 118 MET B O 5893 C CB . MET B 118 ? 0.2859 0.3330 0.3041 -0.0120 0.0104 -0.0328 118 MET B CB 5894 C CG . MET B 118 ? 0.2992 0.3457 0.3141 -0.0080 0.0100 -0.0332 118 MET B CG 5895 S SD . MET B 118 ? 0.3178 0.3530 0.3252 -0.0088 0.0112 -0.0299 118 MET B SD 5896 C CE . MET B 118 ? 0.2998 0.3253 0.2992 -0.0077 0.0098 -0.0286 118 MET B CE 5897 N N . SER B 119 ? 0.2753 0.3280 0.3004 -0.0164 0.0091 -0.0347 119 SER B N 5898 C CA . SER B 119 ? 0.2920 0.3440 0.3191 -0.0200 0.0097 -0.0342 119 SER B CA 5899 C C . SER B 119 ? 0.2900 0.3510 0.3247 -0.0224 0.0101 -0.0371 119 SER B C 5900 O O . SER B 119 ? 0.2848 0.3457 0.3222 -0.0268 0.0121 -0.0365 119 SER B O 5901 C CB . SER B 119 ? 0.2966 0.3434 0.3185 -0.0178 0.0077 -0.0337 119 SER B CB 5902 O OG . SER B 119 ? 0.3382 0.3861 0.3627 -0.0206 0.0077 -0.0340 119 SER B OG 5903 N N . ARG B 120 ? 0.3042 0.3728 0.3419 -0.0194 0.0081 -0.0406 120 ARG B N 5904 C CA . ARG B 120 ? 0.2999 0.3783 0.3455 -0.0220 0.0086 -0.0442 120 ARG B CA 5905 C C . ARG B 120 ? 0.2927 0.3744 0.3429 -0.0263 0.0122 -0.0443 120 ARG B C 5906 O O . ARG B 120 ? 0.2684 0.3520 0.3225 -0.0313 0.0143 -0.0451 120 ARG B O 5907 C CB . ARG B 120 ? 0.3339 0.4211 0.3822 -0.0174 0.0055 -0.0484 120 ARG B CB 5908 C CG . ARG B 120 ? 0.3733 0.4716 0.4303 -0.0203 0.0056 -0.0530 120 ARG B CG 5909 C CD . ARG B 120 ? 0.4063 0.5161 0.4677 -0.0158 0.0030 -0.0579 120 ARG B CD 5910 N NE . ARG B 120 ? 0.4391 0.5507 0.5000 -0.0129 0.0039 -0.0577 120 ARG B NE 5911 C CZ . ARG B 120 ? 0.4588 0.5761 0.5252 -0.0164 0.0072 -0.0586 120 ARG B CZ 5912 N NH1 . ARG B 120 ? 0.4810 0.6025 0.5539 -0.0231 0.0104 -0.0599 120 ARG B NH1 5913 N NH2 . ARG B 120 ? 0.4755 0.5935 0.5403 -0.0130 0.0077 -0.0582 120 ARG B NH2 5914 N N . ILE B 121 ? 0.2905 0.3720 0.3395 -0.0245 0.0131 -0.0435 121 ILE B N 5915 C CA . ILE B 121 ? 0.2921 0.3761 0.3444 -0.0280 0.0168 -0.0435 121 ILE B CA 5916 C C . ILE B 121 ? 0.2782 0.3543 0.3280 -0.0326 0.0195 -0.0404 121 ILE B C 5917 O O . ILE B 121 ? 0.2765 0.3545 0.3296 -0.0372 0.0225 -0.0413 121 ILE B O 5918 C CB . ILE B 121 ? 0.3033 0.3874 0.3536 -0.0245 0.0171 -0.0429 121 ILE B CB 5919 C CG1 . ILE B 121 ? 0.3126 0.4067 0.3666 -0.0202 0.0150 -0.0470 121 ILE B CG1 5920 C CG2 . ILE B 121 ? 0.3039 0.3876 0.3556 -0.0283 0.0212 -0.0420 121 ILE B CG2 5921 C CD1 . ILE B 121 ? 0.3261 0.4180 0.3753 -0.0147 0.0138 -0.0462 121 ILE B CD1 5922 N N . TYR B 122 ? 0.2692 0.3363 0.3130 -0.0315 0.0187 -0.0370 122 TYR B N 5923 C CA . TYR B 122 ? 0.2518 0.3119 0.2929 -0.0349 0.0207 -0.0344 122 TYR B CA 5924 C C . TYR B 122 ? 0.2506 0.3111 0.2937 -0.0385 0.0213 -0.0353 122 TYR B C 5925 O O . TYR B 122 ? 0.2509 0.3094 0.2942 -0.0422 0.0241 -0.0350 122 TYR B O 5926 C CB . TYR B 122 ? 0.2431 0.2952 0.2783 -0.0330 0.0194 -0.0313 122 TYR B CB 5927 C CG . TYR B 122 ? 0.2354 0.2813 0.2679 -0.0356 0.0211 -0.0291 122 TYR B CG 5928 C CD1 . TYR B 122 ? 0.2364 0.2792 0.2669 -0.0361 0.0229 -0.0277 122 TYR B CD1 5929 C CD2 . TYR B 122 ? 0.2337 0.2770 0.2654 -0.0373 0.0207 -0.0286 122 TYR B CD2 5930 C CE1 . TYR B 122 ? 0.2320 0.2691 0.2593 -0.0377 0.0241 -0.0261 122 TYR B CE1 5931 C CE2 . TYR B 122 ? 0.2364 0.2742 0.2651 -0.0389 0.0220 -0.0269 122 TYR B CE2 5932 C CZ . TYR B 122 ? 0.2364 0.2712 0.2629 -0.0390 0.0236 -0.0257 122 TYR B CZ 5933 O OH . TYR B 122 ? 0.2291 0.2583 0.2519 -0.0398 0.0245 -0.0243 122 TYR B OH 5934 N N . SER B 123 ? 0.2510 0.3130 0.2946 -0.0371 0.0186 -0.0364 123 SER B N 5935 C CA . SER B 123 ? 0.2611 0.3217 0.3051 -0.0398 0.0186 -0.0368 123 SER B CA 5936 C C . SER B 123 ? 0.2688 0.3368 0.3188 -0.0430 0.0196 -0.0405 123 SER B C 5937 O O . SER B 123 ? 0.2740 0.3403 0.3242 -0.0461 0.0202 -0.0411 123 SER B O 5938 C CB . SER B 123 ? 0.2620 0.3202 0.3032 -0.0369 0.0155 -0.0363 123 SER B CB 5939 O OG . SER B 123 ? 0.2725 0.3229 0.3084 -0.0362 0.0156 -0.0330 123 SER B OG 5940 N N . THR B 124 ? 0.2764 0.3525 0.3311 -0.0423 0.0199 -0.0432 124 THR B N 5941 C CA . THR B 124 ? 0.2888 0.3735 0.3503 -0.0459 0.0213 -0.0474 124 THR B CA 5942 C C . THR B 124 ? 0.2976 0.3840 0.3614 -0.0497 0.0258 -0.0480 124 THR B C 5943 O O . THR B 124 ? 0.2955 0.3884 0.3647 -0.0539 0.0279 -0.0515 124 THR B O 5944 C CB . THR B 124 ? 0.2889 0.3845 0.3557 -0.0423 0.0181 -0.0517 124 THR B CB 5945 O OG1 . THR B 124 ? 0.2885 0.3876 0.3556 -0.0384 0.0177 -0.0518 124 THR B OG1 5946 C CG2 . THR B 124 ? 0.2945 0.3877 0.3580 -0.0384 0.0138 -0.0514 124 THR B CG2 5947 N N . ALA B 125 ? 0.2968 0.3774 0.3562 -0.0485 0.0274 -0.0448 125 ALA B N 5948 C CA . ALA B 125 ? 0.2998 0.3810 0.3602 -0.0516 0.0317 -0.0450 125 ALA B CA 5949 C C . ALA B 125 ? 0.3093 0.3853 0.3681 -0.0577 0.0357 -0.0450 125 ALA B C 5950 O O . ALA B 125 ? 0.3043 0.3724 0.3585 -0.0585 0.0351 -0.0430 125 ALA B O 5951 C CB . ALA B 125 ? 0.3033 0.3780 0.3582 -0.0487 0.0322 -0.0415 125 ALA B CB 5952 N N . LYS B 126 ? 0.3180 0.3983 0.3804 -0.0619 0.0399 -0.0475 126 LYS B N 5953 C CA . LYS B 126 ? 0.3428 0.4172 0.4028 -0.0681 0.0442 -0.0478 126 LYS B CA 5954 C C . LYS B 126 ? 0.3434 0.4147 0.4011 -0.0709 0.0496 -0.0472 126 LYS B C 5955 O O . LYS B 126 ? 0.3331 0.4106 0.3940 -0.0688 0.0501 -0.0480 126 LYS B O 5956 C CB . LYS B 126 ? 0.3725 0.4553 0.4396 -0.0724 0.0445 -0.0526 126 LYS B CB 5957 C CG . LYS B 126 ? 0.4173 0.4976 0.4831 -0.0713 0.0406 -0.0523 126 LYS B CG 5958 C CD . LYS B 126 ? 0.4375 0.5303 0.5121 -0.0722 0.0382 -0.0575 126 LYS B CD 5959 C CE . LYS B 126 ? 0.4571 0.5465 0.5295 -0.0704 0.0341 -0.0569 126 LYS B CE 5960 N NZ . LYS B 126 ? 0.4393 0.5227 0.5060 -0.0641 0.0303 -0.0527 126 LYS B NZ 5961 N N . VAL B 127 ? 0.3497 0.4102 0.4006 -0.0750 0.0536 -0.0457 127 VAL B N 5962 C CA . VAL B 127 ? 0.3787 0.4347 0.4262 -0.0785 0.0595 -0.0455 127 VAL B CA 5963 C C . VAL B 127 ? 0.4165 0.4744 0.4669 -0.0862 0.0643 -0.0492 127 VAL B C 5964 O O . VAL B 127 ? 0.4215 0.4731 0.4685 -0.0892 0.0645 -0.0493 127 VAL B O 5965 C CB . VAL B 127 ? 0.3743 0.4146 0.4097 -0.0768 0.0608 -0.0408 127 VAL B CB 5966 C CG1 . VAL B 127 ? 0.3763 0.4109 0.4070 -0.0800 0.0671 -0.0406 127 VAL B CG1 5967 C CG2 . VAL B 127 ? 0.3520 0.3913 0.3855 -0.0698 0.0560 -0.0377 127 VAL B CG2 5968 N N . CYS B 128 ? 0.4793 0.5461 0.5359 -0.0895 0.0682 -0.0527 128 CYS B N 5969 C CA . CYS B 128 ? 0.5497 0.6198 0.6103 -0.0977 0.0733 -0.0570 128 CYS B CA 5970 C C . CYS B 128 ? 0.6051 0.6649 0.6581 -0.1026 0.0810 -0.0560 128 CYS B C 5971 O O . CYS B 128 ? 0.5767 0.6338 0.6261 -0.0997 0.0826 -0.0537 128 CYS B O 5972 C CB . CYS B 128 ? 0.5697 0.6594 0.6442 -0.0987 0.0723 -0.0629 128 CYS B CB 5973 S SG . CYS B 128 ? 0.6083 0.7089 0.6900 -0.0922 0.0633 -0.0643 128 CYS B SG 5974 N N . LEU B 129 ? 0.6954 0.7486 0.7450 -0.1101 0.0859 -0.0577 129 LEU B N 5975 C CA . LEU B 129 ? 0.7588 0.7976 0.7977 -0.1148 0.0935 -0.0560 129 LEU B CA 5976 C C . LEU B 129 ? 0.7954 0.8416 0.8392 -0.1193 0.1000 -0.0592 129 LEU B C 5977 O O . LEU B 129 ? 0.8106 0.8445 0.8446 -0.1222 0.1064 -0.0574 129 LEU B O 5978 C CB . LEU B 129 ? 0.7746 0.8002 0.8053 -0.1208 0.0967 -0.0562 129 LEU B CB 5979 C CG . LEU B 129 ? 0.7762 0.7866 0.7951 -0.1157 0.0926 -0.0512 129 LEU B CG 5980 C CD1 . LEU B 129 ? 0.7672 0.7848 0.7926 -0.1138 0.0860 -0.0524 129 LEU B CD1 5981 C CD2 . LEU B 129 ? 0.7889 0.7791 0.7926 -0.1201 0.0984 -0.0493 129 LEU B CD2 5982 N N . PRO B 130 ? 0.8331 0.8991 0.8914 -0.1195 0.0983 -0.0640 130 PRO B N 5983 C CA . PRO B 130 ? 0.8914 0.9674 0.9560 -0.1224 0.1037 -0.0672 130 PRO B CA 5984 C C . PRO B 130 ? 0.8911 0.9868 0.9686 -0.1165 0.0983 -0.0699 130 PRO B C 5985 O O . PRO B 130 ? 0.8711 0.9727 0.9528 -0.1110 0.0908 -0.0697 130 PRO B O 5986 C CB . PRO B 130 ? 0.9077 0.9873 0.9766 -0.1332 0.1112 -0.0726 130 PRO B CB 5987 N N . THR B 133 ? 0.9728 1.0645 1.0557 -0.1470 0.1097 -0.0831 133 THR B N 5988 C CA . THR B 133 ? 0.9789 1.0744 1.0641 -0.1385 0.1001 -0.0811 133 THR B CA 5989 C C . THR B 133 ? 0.9619 1.0545 1.0470 -0.1420 0.0977 -0.0829 133 THR B C 5990 O O . THR B 133 ? 0.9728 1.0797 1.0692 -0.1467 0.0975 -0.0894 133 THR B O 5991 C CB . THR B 133 ? 0.9742 1.0920 1.0740 -0.1328 0.0947 -0.0849 133 THR B CB 5992 O OG1 . THR B 133 ? 0.9728 1.0946 1.0736 -0.1308 0.0979 -0.0843 133 THR B OG1 5993 C CG2 . THR B 133 ? 0.9392 1.0572 1.0381 -0.1231 0.0853 -0.0815 133 THR B CG2 5994 N N . ALA B 134 ? 0.9415 1.0161 1.0137 -0.1394 0.0959 -0.0774 134 ALA B N 5995 C CA . ALA B 134 ? 0.9154 0.9859 0.9860 -0.1407 0.0924 -0.0781 134 ALA B CA 5996 C C . ALA B 134 ? 0.8701 0.9456 0.9433 -0.1311 0.0831 -0.0756 134 ALA B C 5997 O O . ALA B 134 ? 0.8363 0.9268 0.9191 -0.1260 0.0790 -0.0773 134 ALA B O 5998 C CB . ALA B 134 ? 0.9408 0.9880 0.9950 -0.1440 0.0966 -0.0740 134 ALA B CB 5999 N N . THR B 135 ? 0.8523 0.9148 0.9162 -0.1285 0.0799 -0.0718 135 THR B N 6000 C CA . THR B 135 ? 0.8196 0.8844 0.8842 -0.1197 0.0718 -0.0691 135 THR B CA 6001 C C . THR B 135 ? 0.7665 0.8278 0.8267 -0.1124 0.0702 -0.0640 135 THR B C 6002 O O . THR B 135 ? 0.8081 0.8583 0.8598 -0.1133 0.0747 -0.0609 135 THR B O 6003 C CB . THR B 135 ? 0.8303 0.8816 0.8856 -0.1190 0.0695 -0.0663 135 THR B CB 6004 O OG1 . THR B 135 ? 0.8894 0.9373 0.9439 -0.1275 0.0735 -0.0700 135 THR B OG1 6005 C CG2 . THR B 135 ? 0.8158 0.8744 0.8757 -0.1123 0.0616 -0.0661 135 THR B CG2 6006 N N . CYS B 136 ? 0.6608 0.7311 0.7264 -0.1051 0.0638 -0.0633 136 CYS B N 6007 C CA . CYS B 136 ? 0.5911 0.6585 0.6529 -0.0983 0.0619 -0.0589 136 CYS B CA 6008 C C . CYS B 136 ? 0.5304 0.5855 0.5829 -0.0933 0.0581 -0.0538 136 CYS B C 6009 O O . CYS B 136 ? 0.5078 0.5624 0.5604 -0.0924 0.0545 -0.0541 136 CYS B O 6010 C CB . CYS B 136 ? 0.5960 0.6792 0.6679 -0.0934 0.0579 -0.0612 136 CYS B CB 6011 S SG . CYS B 136 ? 0.6521 0.7509 0.7351 -0.0985 0.0626 -0.0674 136 CYS B SG 6012 N N . TRP B 137 ? 0.4747 0.5200 0.5191 -0.0902 0.0592 -0.0494 137 TRP B N 6013 C CA . TRP B 137 ? 0.4335 0.4676 0.4689 -0.0856 0.0563 -0.0448 137 TRP B CA 6014 C C . TRP B 137 ? 0.3935 0.4336 0.4323 -0.0786 0.0504 -0.0432 137 TRP B C 6015 O O . TRP B 137 ? 0.3702 0.4170 0.4130 -0.0758 0.0497 -0.0433 137 TRP B O 6016 C CB . TRP B 137 ? 0.4367 0.4575 0.4614 -0.0851 0.0599 -0.0413 137 TRP B CB 6017 C CG . TRP B 137 ? 0.4720 0.4815 0.4890 -0.0910 0.0654 -0.0417 137 TRP B CG 6018 C CD1 . TRP B 137 ? 0.4880 0.4944 0.5040 -0.0956 0.0663 -0.0437 137 TRP B CD1 6019 C CD2 . TRP B 137 ? 0.4881 0.4862 0.4956 -0.0928 0.0708 -0.0400 137 TRP B CD2 6020 N NE1 . TRP B 137 ? 0.5147 0.5081 0.5210 -0.1004 0.0723 -0.0433 137 TRP B NE1 6021 C CE2 . TRP B 137 ? 0.5165 0.5042 0.5171 -0.0987 0.0752 -0.0410 137 TRP B CE2 6022 C CE3 . TRP B 137 ? 0.4957 0.4905 0.4992 -0.0899 0.0725 -0.0377 137 TRP B CE3 6023 C CZ2 . TRP B 137 ? 0.5380 0.5116 0.5272 -0.1017 0.0814 -0.0398 137 TRP B CZ2 6024 C CZ3 . TRP B 137 ? 0.5226 0.5041 0.5152 -0.0926 0.0784 -0.0365 137 TRP B CZ3 6025 C CH2 . TRP B 137 ? 0.5406 0.5112 0.5258 -0.0984 0.0829 -0.0375 137 TRP B CH2 6026 N N . SER B 138 ? 0.3621 0.3991 0.3986 -0.0759 0.0464 -0.0418 138 SER B N 6027 C CA . SER B 138 ? 0.3317 0.3721 0.3697 -0.0698 0.0415 -0.0401 138 SER B CA 6028 C C . SER B 138 ? 0.3111 0.3410 0.3406 -0.0663 0.0410 -0.0358 138 SER B C 6029 O O . SER B 138 ? 0.3016 0.3213 0.3236 -0.0680 0.0437 -0.0343 138 SER B O 6030 C CB . SER B 138 ? 0.3408 0.3850 0.3819 -0.0688 0.0375 -0.0415 138 SER B CB 6031 O OG . SER B 138 ? 0.3818 0.4168 0.4168 -0.0708 0.0382 -0.0405 138 SER B OG 6032 N N . LEU B 139 ? 0.2982 0.3304 0.3283 -0.0613 0.0377 -0.0340 139 LEU B N 6033 C CA . LEU B 139 ? 0.2749 0.2989 0.2981 -0.0580 0.0370 -0.0307 139 LEU B CA 6034 C C . LEU B 139 ? 0.2800 0.2962 0.2975 -0.0579 0.0362 -0.0294 139 LEU B C 6035 O O . LEU B 139 ? 0.2760 0.2831 0.2860 -0.0575 0.0377 -0.0276 139 LEU B O 6036 C CB . LEU B 139 ? 0.2752 0.3035 0.3007 -0.0534 0.0335 -0.0296 139 LEU B CB 6037 C CG . LEU B 139 ? 0.2652 0.2871 0.2850 -0.0501 0.0324 -0.0267 139 LEU B CG 6038 C CD1 . LEU B 139 ? 0.2692 0.2855 0.2842 -0.0505 0.0354 -0.0257 139 LEU B CD1 6039 C CD2 . LEU B 139 ? 0.2588 0.2849 0.2810 -0.0466 0.0294 -0.0261 139 LEU B CD2 6040 N N . ASP B 140 ? 0.2827 0.3023 0.3032 -0.0578 0.0336 -0.0304 140 ASP B N 6041 C CA . ASP B 140 ? 0.2954 0.3089 0.3111 -0.0571 0.0324 -0.0294 140 ASP B CA 6042 C C . ASP B 140 ? 0.2935 0.3087 0.3116 -0.0610 0.0330 -0.0320 140 ASP B C 6043 O O . ASP B 140 ? 0.2904 0.3137 0.3149 -0.0610 0.0309 -0.0340 140 ASP B O 6044 C CB . ASP B 140 ? 0.3111 0.3275 0.3282 -0.0529 0.0285 -0.0283 140 ASP B CB 6045 C CG . ASP B 140 ? 0.3452 0.3563 0.3578 -0.0515 0.0271 -0.0272 140 ASP B CG 6046 O OD1 . ASP B 140 ? 0.3653 0.3698 0.3730 -0.0532 0.0286 -0.0272 140 ASP B OD1 6047 O OD2 . ASP B 140 ? 0.3723 0.3856 0.3860 -0.0486 0.0245 -0.0265 140 ASP B OD2 6048 N N . PRO B 141 ? 0.2974 0.3044 0.3097 -0.0642 0.0357 -0.0322 141 PRO B N 6049 C CA . PRO B 141 ? 0.2979 0.2933 0.3005 -0.0632 0.0376 -0.0298 141 PRO B CA 6050 C C . PRO B 141 ? 0.3035 0.2937 0.3019 -0.0655 0.0420 -0.0295 141 PRO B C 6051 O O . PRO B 141 ? 0.2972 0.2782 0.2872 -0.0632 0.0429 -0.0274 141 PRO B O 6052 C CB . PRO B 141 ? 0.3020 0.2907 0.2998 -0.0656 0.0382 -0.0306 141 PRO B CB 6053 C CG . PRO B 141 ? 0.3102 0.3059 0.3151 -0.0706 0.0392 -0.0340 141 PRO B CG 6054 C CD . PRO B 141 ? 0.2967 0.3052 0.3114 -0.0687 0.0366 -0.0351 141 PRO B CD 6055 N N . ASP B 142 ? 0.3026 0.2987 0.3067 -0.0697 0.0446 -0.0318 142 ASP B N 6056 C CA . ASP B 142 ? 0.3083 0.2982 0.3078 -0.0735 0.0499 -0.0322 142 ASP B CA 6057 C C . ASP B 142 ? 0.3120 0.2968 0.3061 -0.0702 0.0509 -0.0296 142 ASP B C 6058 O O . ASP B 142 ? 0.3205 0.2931 0.3040 -0.0699 0.0534 -0.0280 142 ASP B O 6059 C CB . ASP B 142 ? 0.3179 0.3178 0.3265 -0.0786 0.0523 -0.0357 142 ASP B CB 6060 C CG . ASP B 142 ? 0.3277 0.3334 0.3421 -0.0819 0.0510 -0.0389 142 ASP B CG 6061 O OD1 . ASP B 142 ? 0.3365 0.3339 0.3449 -0.0834 0.0513 -0.0387 142 ASP B OD1 6062 O OD2 . ASP B 142 ? 0.3436 0.3623 0.3682 -0.0826 0.0495 -0.0418 142 ASP B OD2 6063 N N . LEU B 143 ? 0.2955 0.2891 0.2960 -0.0674 0.0489 -0.0294 143 LEU B N 6064 C CA . LEU B 143 ? 0.2980 0.2879 0.2941 -0.0642 0.0496 -0.0273 143 LEU B CA 6065 C C . LEU B 143 ? 0.2960 0.2788 0.2850 -0.0589 0.0467 -0.0247 143 LEU B C 6066 O O . LEU B 143 ? 0.3025 0.2769 0.2833 -0.0568 0.0481 -0.0232 143 LEU B O 6067 C CB . LEU B 143 ? 0.2916 0.2924 0.2960 -0.0627 0.0483 -0.0280 143 LEU B CB 6068 C CG . LEU B 143 ? 0.2939 0.3039 0.3064 -0.0671 0.0509 -0.0311 143 LEU B CG 6069 C CD1 . LEU B 143 ? 0.2880 0.3095 0.3088 -0.0641 0.0479 -0.0320 143 LEU B CD1 6070 C CD2 . LEU B 143 ? 0.3075 0.3120 0.3155 -0.0705 0.0566 -0.0314 143 LEU B CD2 6071 N N . THR B 144 ? 0.2801 0.2665 0.2720 -0.0567 0.0427 -0.0246 144 THR B N 6072 C CA . THR B 144 ? 0.2841 0.2650 0.2702 -0.0522 0.0400 -0.0228 144 THR B CA 6073 C C . THR B 144 ? 0.3047 0.2726 0.2793 -0.0521 0.0422 -0.0220 144 THR B C 6074 O O . THR B 144 ? 0.3155 0.2767 0.2826 -0.0481 0.0417 -0.0206 144 THR B O 6075 C CB . THR B 144 ? 0.2698 0.2564 0.2607 -0.0507 0.0361 -0.0231 144 THR B CB 6076 O OG1 . THR B 144 ? 0.2521 0.2489 0.2516 -0.0500 0.0340 -0.0236 144 THR B OG1 6077 C CG2 . THR B 144 ? 0.2758 0.2580 0.2614 -0.0461 0.0336 -0.0217 144 THR B CG2 6078 N N . ASN B 145 ? 0.3129 0.2770 0.2857 -0.0564 0.0446 -0.0232 145 ASN B N 6079 C CA . ASN B 145 ? 0.3439 0.2940 0.3046 -0.0569 0.0472 -0.0226 145 ASN B CA 6080 C C . ASN B 145 ? 0.3477 0.2888 0.3003 -0.0576 0.0514 -0.0218 145 ASN B C 6081 O O . ASN B 145 ? 0.3561 0.2851 0.2966 -0.0544 0.0522 -0.0205 145 ASN B O 6082 C CB . ASN B 145 ? 0.3587 0.3068 0.3197 -0.0622 0.0491 -0.0243 145 ASN B CB 6083 C CG . ASN B 145 ? 0.3725 0.3239 0.3362 -0.0604 0.0451 -0.0246 145 ASN B CG 6084 O OD1 . ASN B 145 ? 0.3858 0.3381 0.3485 -0.0552 0.0416 -0.0233 145 ASN B OD1 6085 N ND2 . ASN B 145 ? 0.3756 0.3294 0.3431 -0.0650 0.0459 -0.0266 145 ASN B ND2 6086 N N . ILE B 146 ? 0.3453 0.2922 0.3039 -0.0614 0.0543 -0.0229 146 ILE B N 6087 C CA . ILE B 146 ? 0.3620 0.3009 0.3132 -0.0623 0.0587 -0.0222 146 ILE B CA 6088 C C . ILE B 146 ? 0.3534 0.2894 0.2996 -0.0556 0.0563 -0.0202 146 ILE B C 6089 O O . ILE B 146 ? 0.3598 0.2831 0.2936 -0.0533 0.0582 -0.0189 146 ILE B O 6090 C CB . ILE B 146 ? 0.3612 0.3089 0.3212 -0.0674 0.0621 -0.0240 146 ILE B CB 6091 C CG1 . ILE B 146 ? 0.3731 0.3217 0.3361 -0.0746 0.0655 -0.0266 146 ILE B CG1 6092 C CG2 . ILE B 146 ? 0.3773 0.3173 0.3298 -0.0674 0.0665 -0.0231 146 ILE B CG2 6093 C CD1 . ILE B 146 ? 0.3798 0.3396 0.3531 -0.0796 0.0685 -0.0292 146 ILE B CD1 6094 N N . LEU B 147 ? 0.3431 0.2904 0.2983 -0.0524 0.0519 -0.0201 147 LEU B N 6095 C CA . LEU B 147 ? 0.3408 0.2868 0.2925 -0.0465 0.0493 -0.0187 147 LEU B CA 6096 C C . LEU B 147 ? 0.3466 0.2846 0.2893 -0.0413 0.0466 -0.0178 147 LEU B C 6097 O O . LEU B 147 ? 0.3469 0.2788 0.2819 -0.0366 0.0458 -0.0170 147 LEU B O 6098 C CB . LEU B 147 ? 0.3334 0.2927 0.2965 -0.0450 0.0457 -0.0190 147 LEU B CB 6099 C CG . LEU B 147 ? 0.3533 0.3158 0.3193 -0.0467 0.0484 -0.0192 147 LEU B CG 6100 C CD1 . LEU B 147 ? 0.3478 0.3170 0.3215 -0.0524 0.0513 -0.0210 147 LEU B CD1 6101 C CD2 . LEU B 147 ? 0.3840 0.3540 0.3553 -0.0431 0.0450 -0.0189 147 LEU B CD2 6102 N N . ALA B 148 ? 0.3426 0.2807 0.2860 -0.0419 0.0451 -0.0182 148 ALA B N 6103 C CA . ALA B 148 ? 0.3508 0.2828 0.2865 -0.0367 0.0423 -0.0178 148 ALA B CA 6104 C C . ALA B 148 ? 0.3823 0.2977 0.3024 -0.0355 0.0453 -0.0171 148 ALA B C 6105 O O . ALA B 148 ? 0.3839 0.2925 0.2949 -0.0295 0.0433 -0.0166 148 ALA B O 6106 C CB . ALA B 148 ? 0.3362 0.2734 0.2773 -0.0376 0.0398 -0.0184 148 ALA B CB 6107 N N . SER B 149 ? 0.4003 0.3090 0.3169 -0.0412 0.0503 -0.0173 149 SER B N 6108 C CA . SER B 149 ? 0.4423 0.3336 0.3430 -0.0408 0.0535 -0.0167 149 SER B CA 6109 C C . SER B 149 ? 0.4537 0.3341 0.3458 -0.0447 0.0597 -0.0163 149 SER B C 6110 O O . SER B 149 ? 0.4755 0.3393 0.3519 -0.0432 0.0625 -0.0156 149 SER B O 6111 C CB . SER B 149 ? 0.4683 0.3569 0.3682 -0.0437 0.0535 -0.0174 149 SER B CB 6112 O OG . SER B 149 ? 0.4947 0.3889 0.4030 -0.0516 0.0567 -0.0187 149 SER B OG 6113 N N . SER B 150 ? 0.4402 0.3291 0.3418 -0.0495 0.0623 -0.0170 150 SER B N 6114 C CA . SER B 150 ? 0.4566 0.3355 0.3500 -0.0531 0.0686 -0.0167 150 SER B CA 6115 C C . SER B 150 ? 0.4695 0.3401 0.3524 -0.0465 0.0680 -0.0151 150 SER B C 6116 O O . SER B 150 ? 0.4531 0.3330 0.3423 -0.0415 0.0633 -0.0148 150 SER B O 6117 C CB . SER B 150 ? 0.4407 0.3316 0.3470 -0.0597 0.0716 -0.0182 150 SER B CB 6118 O OG . SER B 150 ? 0.4324 0.3138 0.3306 -0.0630 0.0781 -0.0181 150 SER B OG 6119 N N . ARG B 151 ? 0.4884 0.3411 0.3548 -0.0464 0.0728 -0.0142 151 ARG B N 6120 C CA . ARG B 151 ? 0.5073 0.3502 0.3619 -0.0402 0.0730 -0.0129 151 ARG B CA 6121 C C . ARG B 151 ? 0.5133 0.3504 0.3639 -0.0451 0.0799 -0.0127 151 ARG B C 6122 O O . ARG B 151 ? 0.5354 0.3593 0.3721 -0.0413 0.0821 -0.0114 151 ARG B O 6123 C CB . ARG B 151 ? 0.5442 0.3689 0.3796 -0.0339 0.0722 -0.0119 151 ARG B CB 6124 C CG . ARG B 151 ? 0.5595 0.3878 0.3968 -0.0297 0.0664 -0.0124 151 ARG B CG 6125 C CD . ARG B 151 ? 0.5564 0.3958 0.4000 -0.0218 0.0592 -0.0126 151 ARG B CD 6126 N NE . ARG B 151 ? 0.5618 0.4216 0.4254 -0.0246 0.0557 -0.0136 151 ARG B NE 6127 C CZ . ARG B 151 ? 0.5418 0.4115 0.4134 -0.0220 0.0505 -0.0143 151 ARG B CZ 6128 N NH1 . ARG B 151 ? 0.5561 0.4192 0.4188 -0.0162 0.0476 -0.0145 151 ARG B NH1 6129 N NH2 . ARG B 151 ? 0.5088 0.3953 0.3972 -0.0250 0.0482 -0.0151 151 ARG B NH2 6130 N N . SER B 152 ? 0.5044 0.3516 0.3673 -0.0534 0.0835 -0.0141 152 SER B N 6131 C CA . SER B 152 ? 0.5078 0.3536 0.3705 -0.0587 0.0901 -0.0145 152 SER B CA 6132 C C . SER B 152 ? 0.4829 0.3448 0.3590 -0.0568 0.0872 -0.0147 152 SER B C 6133 O O . SER B 152 ? 0.4591 0.3384 0.3518 -0.0586 0.0837 -0.0160 152 SER B O 6134 C CB . SER B 152 ? 0.5254 0.3743 0.3945 -0.0688 0.0956 -0.0166 152 SER B CB 6135 O OG . SER B 152 ? 0.5327 0.3901 0.4101 -0.0739 0.1000 -0.0179 152 SER B OG 6136 N N . TYR B 153 ? 0.4721 0.3271 0.3398 -0.0529 0.0886 -0.0134 153 TYR B N 6137 C CA . TYR B 153 ? 0.4454 0.3132 0.3233 -0.0502 0.0857 -0.0134 153 TYR B CA 6138 C C . TYR B 153 ? 0.4349 0.3187 0.3292 -0.0572 0.0881 -0.0154 153 TYR B C 6139 O O . TYR B 153 ? 0.4173 0.3170 0.3256 -0.0559 0.0833 -0.0162 153 TYR B O 6140 C CB . TYR B 153 ? 0.4486 0.3046 0.3135 -0.0460 0.0883 -0.0120 153 TYR B CB 6141 C CG . TYR B 153 ? 0.4251 0.2926 0.2984 -0.0418 0.0844 -0.0119 153 TYR B CG 6142 C CD1 . TYR B 153 ? 0.4138 0.2922 0.2977 -0.0461 0.0873 -0.0128 153 TYR B CD1 6143 C CD2 . TYR B 153 ? 0.4173 0.2847 0.2876 -0.0336 0.0778 -0.0111 153 TYR B CD2 6144 C CE1 . TYR B 153 ? 0.4071 0.2950 0.2978 -0.0422 0.0838 -0.0127 153 TYR B CE1 6145 C CE2 . TYR B 153 ? 0.4091 0.2864 0.2868 -0.0302 0.0744 -0.0112 153 TYR B CE2 6146 C CZ . TYR B 153 ? 0.4045 0.2912 0.2918 -0.0345 0.0775 -0.0118 153 TYR B CZ 6147 O OH . TYR B 153 ? 0.4033 0.2988 0.2970 -0.0313 0.0743 -0.0119 153 TYR B OH 6148 N N . ALA B 154 ? 0.4316 0.3108 0.3235 -0.0644 0.0955 -0.0165 154 ALA B N 6149 C CA . ALA B 154 ? 0.4272 0.3213 0.3338 -0.0712 0.0986 -0.0191 154 ALA B CA 6150 C C . ALA B 154 ? 0.4090 0.3181 0.3306 -0.0741 0.0946 -0.0211 154 ALA B C 6151 O O . ALA B 154 ? 0.3996 0.3253 0.3358 -0.0750 0.0926 -0.0228 154 ALA B O 6152 C CB . ALA B 154 ? 0.4416 0.3264 0.3413 -0.0788 0.1080 -0.0202 154 ALA B CB 6153 N N . MET B 155 ? 0.4217 0.3243 0.3389 -0.0749 0.0934 -0.0210 155 MET B N 6154 C CA . MET B 155 ? 0.4102 0.3253 0.3398 -0.0768 0.0892 -0.0228 155 MET B CA 6155 C C . MET B 155 ? 0.3825 0.3089 0.3208 -0.0702 0.0812 -0.0219 155 MET B C 6156 O O . MET B 155 ? 0.3636 0.3055 0.3159 -0.0714 0.0782 -0.0236 155 MET B O 6157 C CB . MET B 155 ? 0.4448 0.3480 0.3654 -0.0785 0.0898 -0.0226 155 MET B CB 6158 C CG . MET B 155 ? 0.4473 0.3616 0.3791 -0.0804 0.0857 -0.0243 155 MET B CG 6159 S SD . MET B 155 ? 0.4888 0.4159 0.4341 -0.0902 0.0899 -0.0286 155 MET B SD 6160 C CE . MET B 155 ? 0.4620 0.4103 0.4243 -0.0875 0.0859 -0.0298 155 MET B CE 6161 N N . LEU B 156 ? 0.3742 0.2926 0.3035 -0.0633 0.0778 -0.0195 156 LEU B N 6162 C CA . LEU B 156 ? 0.3468 0.2748 0.2832 -0.0573 0.0708 -0.0188 156 LEU B CA 6163 C C . LEU B 156 ? 0.3384 0.2789 0.2851 -0.0572 0.0703 -0.0195 156 LEU B C 6164 O O . LEU B 156 ? 0.3197 0.2733 0.2781 -0.0565 0.0662 -0.0203 156 LEU B O 6165 C CB . LEU B 156 ? 0.3489 0.2661 0.2734 -0.0502 0.0680 -0.0167 156 LEU B CB 6166 C CG . LEU B 156 ? 0.3557 0.2624 0.2708 -0.0484 0.0667 -0.0161 156 LEU B CG 6167 C CD1 . LEU B 156 ? 0.3610 0.2551 0.2619 -0.0414 0.0653 -0.0145 156 LEU B CD1 6168 C CD2 . LEU B 156 ? 0.3367 0.2542 0.2617 -0.0472 0.0611 -0.0168 156 LEU B CD2 6169 N N . LEU B 157 ? 0.3421 0.2776 0.2836 -0.0580 0.0748 -0.0192 157 LEU B N 6170 C CA . LEU B 157 ? 0.3345 0.2805 0.2843 -0.0579 0.0751 -0.0199 157 LEU B CA 6171 C C . LEU B 157 ? 0.3267 0.2875 0.2907 -0.0629 0.0758 -0.0226 157 LEU B C 6172 O O . LEU B 157 ? 0.3156 0.2886 0.2895 -0.0609 0.0723 -0.0234 157 LEU B O 6173 C CB . LEU B 157 ? 0.3480 0.2848 0.2887 -0.0585 0.0809 -0.0192 157 LEU B CB 6174 C CG . LEU B 157 ? 0.3541 0.3003 0.3016 -0.0578 0.0817 -0.0199 157 LEU B CG 6175 C CD1 . LEU B 157 ? 0.3418 0.2939 0.2931 -0.0512 0.0749 -0.0188 157 LEU B CD1 6176 C CD2 . LEU B 157 ? 0.3682 0.3037 0.3051 -0.0582 0.0878 -0.0191 157 LEU B CD2 6177 N N . PHE B 158 ? 0.3418 0.3012 0.3063 -0.0693 0.0803 -0.0244 158 PHE B N 6178 C CA . PHE B 158 ? 0.3477 0.3216 0.3256 -0.0742 0.0811 -0.0278 158 PHE B CA 6179 C C . PHE B 158 ? 0.3266 0.3107 0.3137 -0.0719 0.0744 -0.0283 158 PHE B C 6180 O O . PHE B 158 ? 0.3247 0.3227 0.3231 -0.0719 0.0722 -0.0303 158 PHE B O 6181 C CB . PHE B 158 ? 0.3733 0.3425 0.3489 -0.0820 0.0873 -0.0299 158 PHE B CB 6182 C CG . PHE B 158 ? 0.3890 0.3738 0.3787 -0.0873 0.0879 -0.0340 158 PHE B CG 6183 C CD1 . PHE B 158 ? 0.3997 0.3946 0.3969 -0.0904 0.0918 -0.0367 158 PHE B CD1 6184 C CD2 . PHE B 158 ? 0.3874 0.3773 0.3828 -0.0888 0.0846 -0.0355 158 PHE B CD2 6185 C CE1 . PHE B 158 ? 0.4008 0.4113 0.4114 -0.0947 0.0921 -0.0412 158 PHE B CE1 6186 C CE2 . PHE B 158 ? 0.3816 0.3862 0.3898 -0.0932 0.0847 -0.0398 158 PHE B CE2 6187 C CZ . PHE B 158 ? 0.3881 0.4034 0.4042 -0.0960 0.0883 -0.0427 158 PHE B CZ 6188 N N . ALA B 159 ? 0.3140 0.2908 0.2955 -0.0696 0.0712 -0.0266 159 ALA B N 6189 C CA . ALA B 159 ? 0.2950 0.2795 0.2834 -0.0671 0.0652 -0.0268 159 ALA B CA 6190 C C . ALA B 159 ? 0.2817 0.2724 0.2738 -0.0613 0.0605 -0.0256 159 ALA B C 6191 O O . ALA B 159 ? 0.2796 0.2816 0.2812 -0.0605 0.0573 -0.0269 159 ALA B O 6192 C CB . ALA B 159 ? 0.2913 0.2659 0.2720 -0.0660 0.0635 -0.0253 159 ALA B CB 6193 N N . TRP B 160 ? 0.2817 0.2646 0.2659 -0.0572 0.0602 -0.0233 160 TRP B N 6194 C CA . TRP B 160 ? 0.2724 0.2597 0.2589 -0.0520 0.0560 -0.0223 160 TRP B CA 6195 C C . TRP B 160 ? 0.2692 0.2669 0.2638 -0.0525 0.0567 -0.0237 160 TRP B C 6196 O O . TRP B 160 ? 0.2564 0.2623 0.2574 -0.0501 0.0527 -0.0241 160 TRP B O 6197 C CB . TRP B 160 ? 0.2696 0.2463 0.2456 -0.0479 0.0560 -0.0201 160 TRP B CB 6198 C CG . TRP B 160 ? 0.2595 0.2398 0.2373 -0.0429 0.0513 -0.0193 160 TRP B CG 6199 C CD1 . TRP B 160 ? 0.2479 0.2278 0.2250 -0.0394 0.0467 -0.0186 160 TRP B CD1 6200 C CD2 . TRP B 160 ? 0.2490 0.2343 0.2299 -0.0411 0.0509 -0.0194 160 TRP B CD2 6201 N NE1 . TRP B 160 ? 0.2366 0.2205 0.2160 -0.0361 0.0437 -0.0183 160 TRP B NE1 6202 C CE2 . TRP B 160 ? 0.2438 0.2306 0.2252 -0.0369 0.0461 -0.0187 160 TRP B CE2 6203 C CE3 . TRP B 160 ? 0.2511 0.2398 0.2342 -0.0427 0.0544 -0.0202 160 TRP B CE3 6204 C CZ2 . TRP B 160 ? 0.2371 0.2274 0.2204 -0.0342 0.0445 -0.0186 160 TRP B CZ2 6205 C CZ3 . TRP B 160 ? 0.2529 0.2456 0.2381 -0.0395 0.0526 -0.0200 160 TRP B CZ3 6206 C CH2 . TRP B 160 ? 0.2462 0.2392 0.2311 -0.0353 0.0476 -0.0192 160 TRP B CH2 6207 N N . GLU B 161 ? 0.2809 0.2777 0.2743 -0.0555 0.0618 -0.0246 161 GLU B N 6208 C CA . GLU B 161 ? 0.2791 0.2856 0.2795 -0.0555 0.0628 -0.0262 161 GLU B CA 6209 C C . GLU B 161 ? 0.2701 0.2894 0.2817 -0.0581 0.0617 -0.0291 161 GLU B C 6210 O O . GLU B 161 ? 0.2539 0.2827 0.2722 -0.0554 0.0587 -0.0301 161 GLU B O 6211 C CB . GLU B 161 ? 0.3064 0.3083 0.3021 -0.0580 0.0691 -0.0265 161 GLU B CB 6212 C CG . GLU B 161 ? 0.3270 0.3408 0.3314 -0.0594 0.0712 -0.0290 161 GLU B CG 6213 C CD . GLU B 161 ? 0.3521 0.3613 0.3517 -0.0621 0.0780 -0.0294 161 GLU B CD 6214 O OE1 . GLU B 161 ? 0.3763 0.3784 0.3711 -0.0671 0.0831 -0.0298 161 GLU B OE1 6215 O OE2 . GLU B 161 ? 0.3617 0.3739 0.3618 -0.0593 0.0783 -0.0292 161 GLU B OE2 6216 N N . GLY B 162 ? 0.2720 0.2910 0.2849 -0.0630 0.0640 -0.0307 162 GLY B N 6217 C CA . GLY B 162 ? 0.2674 0.2983 0.2905 -0.0656 0.0628 -0.0340 162 GLY B CA 6218 C C . GLY B 162 ? 0.2579 0.2941 0.2852 -0.0612 0.0564 -0.0335 162 GLY B C 6219 O O . GLY B 162 ? 0.2481 0.2955 0.2833 -0.0596 0.0541 -0.0356 162 GLY B O 6220 N N . TRP B 163 ? 0.2552 0.2832 0.2766 -0.0588 0.0535 -0.0308 163 TRP B N 6221 C CA . TRP B 163 ? 0.2438 0.2758 0.2683 -0.0551 0.0480 -0.0303 163 TRP B CA 6222 C C . TRP B 163 ? 0.2411 0.2770 0.2671 -0.0505 0.0454 -0.0297 163 TRP B C 6223 O O . TRP B 163 ? 0.2348 0.2787 0.2665 -0.0486 0.0424 -0.0310 163 TRP B O 6224 C CB . TRP B 163 ? 0.2423 0.2656 0.2607 -0.0537 0.0458 -0.0280 163 TRP B CB 6225 C CG . TRP B 163 ? 0.2368 0.2641 0.2582 -0.0504 0.0408 -0.0275 163 TRP B CG 6226 C CD1 . TRP B 163 ? 0.2304 0.2550 0.2490 -0.0464 0.0379 -0.0256 163 TRP B CD1 6227 C CD2 . TRP B 163 ? 0.2340 0.2687 0.2617 -0.0507 0.0384 -0.0294 163 TRP B CD2 6228 N NE1 . TRP B 163 ? 0.2243 0.2534 0.2465 -0.0446 0.0343 -0.0259 163 TRP B NE1 6229 C CE2 . TRP B 163 ? 0.2272 0.2622 0.2545 -0.0468 0.0344 -0.0281 163 TRP B CE2 6230 C CE3 . TRP B 163 ? 0.2369 0.2779 0.2701 -0.0539 0.0392 -0.0322 163 TRP B CE3 6231 C CZ2 . TRP B 163 ? 0.2234 0.2636 0.2547 -0.0458 0.0314 -0.0292 163 TRP B CZ2 6232 C CZ3 . TRP B 163 ? 0.2348 0.2818 0.2725 -0.0525 0.0356 -0.0335 163 TRP B CZ3 6233 C CH2 . TRP B 163 ? 0.2305 0.2765 0.2668 -0.0482 0.0318 -0.0318 163 TRP B CH2 6234 N N . HIS B 164 ? 0.2402 0.2699 0.2604 -0.0485 0.0465 -0.0277 164 HIS B N 6235 C CA . HIS B 164 ? 0.2401 0.2722 0.2607 -0.0442 0.0440 -0.0270 164 HIS B CA 6236 C C . HIS B 164 ? 0.2444 0.2864 0.2714 -0.0439 0.0446 -0.0294 164 HIS B C 6237 O O . HIS B 164 ? 0.2414 0.2882 0.2712 -0.0406 0.0412 -0.0298 164 HIS B O 6238 C CB . HIS B 164 ? 0.2313 0.2547 0.2442 -0.0420 0.0448 -0.0247 164 HIS B CB 6239 C CG . HIS B 164 ? 0.2322 0.2486 0.2400 -0.0403 0.0421 -0.0228 164 HIS B CG 6240 N ND1 . HIS B 164 ? 0.2287 0.2387 0.2322 -0.0421 0.0432 -0.0222 164 HIS B ND1 6241 C CD2 . HIS B 164 ? 0.2257 0.2409 0.2322 -0.0370 0.0383 -0.0217 164 HIS B CD2 6242 C CE1 . HIS B 164 ? 0.2343 0.2403 0.2345 -0.0395 0.0401 -0.0209 164 HIS B CE1 6243 N NE2 . HIS B 164 ? 0.2261 0.2355 0.2284 -0.0367 0.0372 -0.0208 164 HIS B NE2 6244 N N . ASN B 165 ? 0.2634 0.3082 0.2924 -0.0472 0.0491 -0.0311 165 ASN B N 6245 C CA . ASN B 165 ? 0.2723 0.3284 0.3087 -0.0473 0.0501 -0.0343 165 ASN B CA 6246 C C . ASN B 165 ? 0.2707 0.3368 0.3148 -0.0471 0.0470 -0.0370 165 ASN B C 6247 O O . ASN B 165 ? 0.2695 0.3431 0.3174 -0.0435 0.0444 -0.0385 165 ASN B O 6248 C CB . ASN B 165 ? 0.2766 0.3338 0.3137 -0.0519 0.0562 -0.0359 165 ASN B CB 6249 C CG . ASN B 165 ? 0.2880 0.3367 0.3175 -0.0507 0.0592 -0.0336 165 ASN B CG 6250 O OD1 . ASN B 165 ? 0.2884 0.3316 0.3129 -0.0463 0.0563 -0.0311 165 ASN B OD1 6251 N ND2 . ASN B 165 ? 0.2970 0.3445 0.3255 -0.0548 0.0651 -0.0347 165 ASN B ND2 6252 N N . ALA B 166 ? 0.2728 0.3381 0.3182 -0.0506 0.0470 -0.0377 166 ALA B N 6253 C CA . ALA B 166 ? 0.2618 0.3361 0.3140 -0.0505 0.0441 -0.0406 166 ALA B CA 6254 C C . ALA B 166 ? 0.2576 0.3314 0.3085 -0.0453 0.0386 -0.0393 166 ALA B C 6255 O O . ALA B 166 ? 0.2494 0.3315 0.3048 -0.0423 0.0359 -0.0416 166 ALA B O 6256 C CB . ALA B 166 ? 0.2726 0.3446 0.3253 -0.0555 0.0454 -0.0414 166 ALA B CB 6257 N N . ALA B 167 ? 0.2528 0.3170 0.2974 -0.0440 0.0371 -0.0358 167 ALA B N 6258 C CA . ALA B 167 ? 0.2566 0.3191 0.2993 -0.0399 0.0326 -0.0345 167 ALA B CA 6259 C C . ALA B 167 ? 0.2544 0.3166 0.2948 -0.0355 0.0312 -0.0336 167 ALA B C 6260 O O . ALA B 167 ? 0.2632 0.3290 0.3046 -0.0319 0.0282 -0.0346 167 ALA B O 6261 C CB . ALA B 167 ? 0.2581 0.3114 0.2955 -0.0406 0.0317 -0.0317 167 ALA B CB 6262 N N . GLY B 168 ? 0.2611 0.3183 0.2976 -0.0355 0.0333 -0.0319 168 GLY B N 6263 C CA . GLY B 168 ? 0.2630 0.3177 0.2960 -0.0315 0.0320 -0.0306 168 GLY B CA 6264 C C . GLY B 168 ? 0.2574 0.3194 0.2932 -0.0286 0.0318 -0.0328 168 GLY B C 6265 O O . GLY B 168 ? 0.2521 0.3142 0.2862 -0.0245 0.0288 -0.0328 168 GLY B O 6266 N N . ILE B 169 ? 0.2662 0.3343 0.3062 -0.0307 0.0352 -0.0349 169 ILE B N 6267 C CA . ILE B 169 ? 0.2660 0.3420 0.3090 -0.0276 0.0354 -0.0373 169 ILE B CA 6268 C C . ILE B 169 ? 0.2678 0.3509 0.3138 -0.0236 0.0315 -0.0397 169 ILE B C 6269 O O . ILE B 169 ? 0.2715 0.3537 0.3142 -0.0186 0.0292 -0.0394 169 ILE B O 6270 C CB . ILE B 169 ? 0.2678 0.3504 0.3156 -0.0313 0.0403 -0.0396 169 ILE B CB 6271 C CG1 . ILE B 169 ? 0.2645 0.3379 0.3067 -0.0338 0.0440 -0.0369 169 ILE B CG1 6272 C CG2 . ILE B 169 ? 0.2678 0.3607 0.3199 -0.0278 0.0403 -0.0428 169 ILE B CG2 6273 C CD1 . ILE B 169 ? 0.2604 0.3369 0.3054 -0.0387 0.0497 -0.0387 169 ILE B CD1 6274 N N . PRO B 170 ? 0.2712 0.3603 0.3224 -0.0253 0.0305 -0.0420 170 PRO B N 6275 C CA . PRO B 170 ? 0.2688 0.3639 0.3218 -0.0207 0.0264 -0.0444 170 PRO B CA 6276 C C . PRO B 170 ? 0.2713 0.3574 0.3169 -0.0169 0.0226 -0.0417 170 PRO B C 6277 O O . PRO B 170 ? 0.2670 0.3552 0.3110 -0.0118 0.0194 -0.0431 170 PRO B O 6278 C CB . PRO B 170 ? 0.2714 0.3735 0.3310 -0.0242 0.0264 -0.0473 170 PRO B CB 6279 C CG . PRO B 170 ? 0.2732 0.3682 0.3314 -0.0302 0.0294 -0.0448 170 PRO B CG 6280 C CD . PRO B 170 ? 0.2693 0.3602 0.3246 -0.0312 0.0330 -0.0430 170 PRO B CD 6281 N N . LEU B 171 ? 0.2667 0.3426 0.3074 -0.0192 0.0232 -0.0381 171 LEU B N 6282 C CA . LEU B 171 ? 0.2724 0.3398 0.3065 -0.0166 0.0203 -0.0358 171 LEU B CA 6283 C C . LEU B 171 ? 0.2677 0.3301 0.2957 -0.0124 0.0194 -0.0346 171 LEU B C 6284 O O . LEU B 171 ? 0.2689 0.3263 0.2915 -0.0090 0.0168 -0.0339 171 LEU B O 6285 C CB . LEU B 171 ? 0.2792 0.3388 0.3108 -0.0204 0.0211 -0.0329 171 LEU B CB 6286 C CG . LEU B 171 ? 0.2937 0.3546 0.3280 -0.0229 0.0203 -0.0335 171 LEU B CG 6287 C CD1 . LEU B 171 ? 0.2974 0.3515 0.3295 -0.0265 0.0216 -0.0309 171 LEU B CD1 6288 C CD2 . LEU B 171 ? 0.2860 0.3456 0.3175 -0.0193 0.0170 -0.0339 171 LEU B CD2 6289 N N . LYS B 172 ? 0.2653 0.3281 0.2933 -0.0126 0.0216 -0.0342 172 LYS B N 6290 C CA . LYS B 172 ? 0.2807 0.3371 0.3020 -0.0092 0.0209 -0.0327 172 LYS B CA 6291 C C . LYS B 172 ? 0.2927 0.3494 0.3103 -0.0032 0.0180 -0.0341 172 LYS B C 6292 O O . LYS B 172 ? 0.2982 0.3459 0.3083 -0.0012 0.0164 -0.0323 172 LYS B O 6293 C CB . LYS B 172 ? 0.2844 0.3413 0.3060 -0.0100 0.0238 -0.0323 172 LYS B CB 6294 C CG . LYS B 172 ? 0.2786 0.3270 0.2927 -0.0073 0.0231 -0.0304 172 LYS B CG 6295 C CD . LYS B 172 ? 0.2903 0.3388 0.3040 -0.0075 0.0258 -0.0301 172 LYS B CD 6296 C CE . LYS B 172 ? 0.2924 0.3324 0.2983 -0.0045 0.0246 -0.0284 172 LYS B CE 6297 N NZ . LYS B 172 ? 0.2968 0.3366 0.3015 -0.0041 0.0271 -0.0282 172 LYS B NZ 6298 N N . PRO B 173 ? 0.3043 0.3710 0.3264 -0.0003 0.0175 -0.0374 173 PRO B N 6299 C CA . PRO B 173 ? 0.3105 0.3760 0.3271 0.0063 0.0145 -0.0386 173 PRO B CA 6300 C C . PRO B 173 ? 0.3139 0.3724 0.3250 0.0079 0.0116 -0.0378 173 PRO B C 6301 O O . PRO B 173 ? 0.3239 0.3743 0.3261 0.0123 0.0097 -0.0370 173 PRO B O 6302 C CB . PRO B 173 ? 0.3188 0.3982 0.3427 0.0091 0.0142 -0.0430 173 PRO B CB 6303 C CG . PRO B 173 ? 0.3212 0.4089 0.3547 0.0028 0.0173 -0.0441 173 PRO B CG 6304 C CD . PRO B 173 ? 0.3033 0.3819 0.3344 -0.0024 0.0199 -0.0403 173 PRO B CD 6305 N N . LEU B 174 ? 0.3141 0.3745 0.3293 0.0042 0.0115 -0.0378 174 LEU B N 6306 C CA . LEU B 174 ? 0.3168 0.3705 0.3266 0.0054 0.0092 -0.0370 174 LEU B CA 6307 C C . LEU B 174 ? 0.3135 0.3545 0.3161 0.0031 0.0099 -0.0333 174 LEU B C 6308 O O . LEU B 174 ? 0.3308 0.3630 0.3250 0.0058 0.0084 -0.0324 174 LEU B O 6309 C CB . LEU B 174 ? 0.3289 0.3882 0.3451 0.0021 0.0091 -0.0381 174 LEU B CB 6310 C CG . LEU B 174 ? 0.3330 0.4060 0.3587 0.0018 0.0089 -0.0421 174 LEU B CG 6311 C CD1 . LEU B 174 ? 0.3283 0.4025 0.3557 0.0007 0.0073 -0.0430 174 LEU B CD1 6312 C CD2 . LEU B 174 ? 0.3399 0.4209 0.3665 0.0080 0.0071 -0.0456 174 LEU B CD2 6313 N N . TYR B 175 ? 0.2925 0.3324 0.2979 -0.0016 0.0123 -0.0315 175 TYR B N 6314 C CA . TYR B 175 ? 0.2926 0.3223 0.2925 -0.0041 0.0129 -0.0287 175 TYR B CA 6315 C C . TYR B 175 ? 0.3003 0.3220 0.2917 -0.0007 0.0123 -0.0280 175 TYR B C 6316 O O . TYR B 175 ? 0.3037 0.3160 0.2883 -0.0012 0.0119 -0.0265 175 TYR B O 6317 C CB . TYR B 175 ? 0.2768 0.3072 0.2810 -0.0092 0.0152 -0.0274 175 TYR B CB 6318 C CG . TYR B 175 ? 0.2774 0.2996 0.2776 -0.0119 0.0153 -0.0253 175 TYR B CG 6319 C CD1 . TYR B 175 ? 0.2762 0.2973 0.2772 -0.0141 0.0149 -0.0249 175 TYR B CD1 6320 C CD2 . TYR B 175 ? 0.2731 0.2892 0.2690 -0.0122 0.0157 -0.0241 175 TYR B CD2 6321 C CE1 . TYR B 175 ? 0.2737 0.2884 0.2716 -0.0166 0.0152 -0.0235 175 TYR B CE1 6322 C CE2 . TYR B 175 ? 0.2829 0.2927 0.2759 -0.0149 0.0158 -0.0229 175 TYR B CE2 6323 C CZ . TYR B 175 ? 0.2751 0.2847 0.2694 -0.0172 0.0157 -0.0227 175 TYR B CZ 6324 O OH . TYR B 175 ? 0.2763 0.2809 0.2685 -0.0200 0.0160 -0.0220 175 TYR B OH 6325 N N . GLU B 176 ? 0.3157 0.3409 0.3073 0.0024 0.0124 -0.0291 176 GLU B N 6326 C CA . GLU B 176 ? 0.3439 0.3613 0.3268 0.0063 0.0117 -0.0286 176 GLU B CA 6327 C C . GLU B 176 ? 0.3512 0.3618 0.3256 0.0106 0.0095 -0.0290 176 GLU B C 6328 O O . GLU B 176 ? 0.3615 0.3607 0.3268 0.0109 0.0093 -0.0276 176 GLU B O 6329 C CB . GLU B 176 ? 0.3578 0.3814 0.3426 0.0098 0.0121 -0.0301 176 GLU B CB 6330 C CG . GLU B 176 ? 0.3639 0.3943 0.3563 0.0061 0.0146 -0.0300 176 GLU B CG 6331 C CD . GLU B 176 ? 0.4023 0.4381 0.3957 0.0097 0.0154 -0.0315 176 GLU B CD 6332 O OE1 . GLU B 176 ? 0.4140 0.4472 0.4013 0.0153 0.0137 -0.0324 176 GLU B OE1 6333 O OE2 . GLU B 176 ? 0.3948 0.4369 0.3943 0.0071 0.0179 -0.0319 176 GLU B OE2 6334 N N . ASP B 177 ? 0.3604 0.3777 0.3374 0.0138 0.0078 -0.0311 177 ASP B N 6335 C CA . ASP B 177 ? 0.3734 0.3843 0.3417 0.0187 0.0055 -0.0318 177 ASP B CA 6336 C C . ASP B 177 ? 0.3772 0.3784 0.3405 0.0153 0.0060 -0.0298 177 ASP B C 6337 O O . ASP B 177 ? 0.3818 0.3710 0.3338 0.0178 0.0054 -0.0289 177 ASP B O 6338 C CB . ASP B 177 ? 0.3876 0.4094 0.3612 0.0227 0.0035 -0.0350 177 ASP B CB 6339 C CG . ASP B 177 ? 0.4056 0.4364 0.3821 0.0276 0.0027 -0.0377 177 ASP B CG 6340 O OD1 . ASP B 177 ? 0.4036 0.4321 0.3783 0.0278 0.0040 -0.0368 177 ASP B OD1 6341 O OD2 . ASP B 177 ? 0.4182 0.4589 0.3991 0.0314 0.0008 -0.0410 177 ASP B OD2 6342 N N . PHE B 178 ? 0.3622 0.3680 0.3334 0.0097 0.0072 -0.0291 178 PHE B N 6343 C CA . PHE B 178 ? 0.3574 0.3555 0.3250 0.0062 0.0079 -0.0274 178 PHE B CA 6344 C C . PHE B 178 ? 0.3649 0.3520 0.3257 0.0034 0.0095 -0.0254 178 PHE B C 6345 O O . PHE B 178 ? 0.3597 0.3363 0.3119 0.0032 0.0098 -0.0245 178 PHE B O 6346 C CB . PHE B 178 ? 0.3448 0.3502 0.3221 0.0010 0.0089 -0.0272 178 PHE B CB 6347 C CG . PHE B 178 ? 0.3412 0.3398 0.3165 -0.0038 0.0104 -0.0252 178 PHE B CG 6348 C CD1 . PHE B 178 ? 0.3428 0.3351 0.3127 -0.0037 0.0102 -0.0248 178 PHE B CD1 6349 C CD2 . PHE B 178 ? 0.3332 0.3313 0.3114 -0.0081 0.0121 -0.0240 178 PHE B CD2 6350 C CE1 . PHE B 178 ? 0.3513 0.3379 0.3196 -0.0083 0.0119 -0.0233 178 PHE B CE1 6351 C CE2 . PHE B 178 ? 0.3424 0.3354 0.3193 -0.0124 0.0134 -0.0228 178 PHE B CE2 6352 C CZ . PHE B 178 ? 0.3439 0.3316 0.3162 -0.0127 0.0135 -0.0225 178 PHE B CZ 6353 N N . THR B 179 ? 0.3566 0.3461 0.3211 0.0012 0.0106 -0.0249 179 THR B N 6354 C CA . THR B 179 ? 0.3579 0.3388 0.3175 -0.0017 0.0120 -0.0235 179 THR B CA 6355 C C . THR B 179 ? 0.3636 0.3326 0.3106 0.0019 0.0115 -0.0234 179 THR B C 6356 O O . THR B 179 ? 0.3656 0.3244 0.3057 -0.0007 0.0126 -0.0225 179 THR B O 6357 C CB . THR B 179 ? 0.3520 0.3378 0.3170 -0.0034 0.0128 -0.0234 179 THR B CB 6358 O OG1 . THR B 179 ? 0.3440 0.3381 0.3186 -0.0072 0.0136 -0.0232 179 THR B OG1 6359 C CG2 . THR B 179 ? 0.3548 0.3318 0.3143 -0.0057 0.0136 -0.0225 179 THR B CG2 6360 N N . ALA B 180 ? 0.3733 0.3437 0.3173 0.0080 0.0099 -0.0245 180 ALA B N 6361 C CA . ALA B 180 ? 0.3826 0.3411 0.3134 0.0127 0.0092 -0.0245 180 ALA B CA 6362 C C . ALA B 180 ? 0.3936 0.3426 0.3152 0.0141 0.0089 -0.0243 180 ALA B C 6363 O O . ALA B 180 ? 0.3989 0.3341 0.3092 0.0134 0.0100 -0.0233 180 ALA B O 6364 C CB . ALA B 180 ? 0.3800 0.3438 0.3103 0.0196 0.0073 -0.0261 180 ALA B CB 6365 N N . LEU B 181 ? 0.3938 0.3496 0.3199 0.0157 0.0077 -0.0252 181 LEU B N 6366 C CA . LEU B 181 ? 0.4077 0.3544 0.3248 0.0173 0.0074 -0.0249 181 LEU B CA 6367 C C . LEU B 181 ? 0.4147 0.3542 0.3304 0.0102 0.0102 -0.0232 181 LEU B C 6368 O O . LEU B 181 ? 0.4193 0.3451 0.3230 0.0103 0.0114 -0.0224 181 LEU B O 6369 C CB . LEU B 181 ? 0.4121 0.3688 0.3350 0.0208 0.0052 -0.0266 181 LEU B CB 6370 C CG . LEU B 181 ? 0.4254 0.3886 0.3478 0.0289 0.0021 -0.0292 181 LEU B CG 6371 C CD1 . LEU B 181 ? 0.4192 0.3952 0.3508 0.0305 0.0001 -0.0314 181 LEU B CD1 6372 C CD2 . LEU B 181 ? 0.4451 0.3944 0.3509 0.0361 0.0007 -0.0294 181 LEU B CD2 6373 N N . SER B 182 ? 0.3812 0.3296 0.3087 0.0041 0.0114 -0.0228 182 SER B N 6374 C CA . SER B 182 ? 0.3854 0.3294 0.3132 -0.0024 0.0139 -0.0216 182 SER B CA 6375 C C . SER B 182 ? 0.3948 0.3269 0.3139 -0.0051 0.0160 -0.0210 182 SER B C 6376 O O . SER B 182 ? 0.3814 0.3032 0.2930 -0.0081 0.0181 -0.0204 182 SER B O 6377 C CB . SER B 182 ? 0.3690 0.3250 0.3105 -0.0074 0.0145 -0.0216 182 SER B CB 6378 O OG . SER B 182 ? 0.3776 0.3301 0.3194 -0.0132 0.0167 -0.0209 182 SER B OG 6379 N N . ASN B 183 ? 0.3978 0.3311 0.3178 -0.0043 0.0155 -0.0212 183 ASN B N 6380 C CA . ASN B 183 ? 0.4170 0.3396 0.3291 -0.0069 0.0171 -0.0209 183 ASN B CA 6381 C C . ASN B 183 ? 0.4462 0.3530 0.3422 -0.0033 0.0176 -0.0207 183 ASN B C 6382 O O . ASN B 183 ? 0.4657 0.3606 0.3533 -0.0074 0.0201 -0.0204 183 ASN B O 6383 C CB . ASN B 183 ? 0.4253 0.3523 0.3408 -0.0055 0.0161 -0.0213 183 ASN B CB 6384 C CG . ASN B 183 ? 0.4203 0.3565 0.3473 -0.0109 0.0167 -0.0214 183 ASN B CG 6385 O OD1 . ASN B 183 ? 0.4319 0.3695 0.3630 -0.0162 0.0182 -0.0214 183 ASN B OD1 6386 N ND2 . ASN B 183 ? 0.4095 0.3519 0.3411 -0.0092 0.0157 -0.0217 183 ASN B ND2 6387 N N . GLU B 184 ? 0.4548 0.3613 0.3460 0.0041 0.0152 -0.0211 184 GLU B N 6388 C CA . GLU B 184 ? 0.4971 0.3881 0.3714 0.0092 0.0152 -0.0210 184 GLU B CA 6389 C C . GLU B 184 ? 0.5102 0.3919 0.3777 0.0065 0.0173 -0.0203 184 GLU B C 6390 O O . GLU B 184 ? 0.5237 0.3885 0.3763 0.0061 0.0194 -0.0197 184 GLU B O 6391 C CB . GLU B 184 ? 0.5198 0.4158 0.3927 0.0185 0.0116 -0.0221 184 GLU B CB 6392 C CG . GLU B 184 ? 0.5837 0.4638 0.4381 0.0255 0.0109 -0.0223 184 GLU B CG 6393 C CD . GLU B 184 ? 0.6064 0.4920 0.4593 0.0349 0.0072 -0.0239 184 GLU B CD 6394 O OE1 . GLU B 184 ? 0.5960 0.4976 0.4610 0.0374 0.0049 -0.0253 184 GLU B OE1 6395 O OE2 . GLU B 184 ? 0.6404 0.5144 0.4800 0.0398 0.0066 -0.0240 184 GLU B OE2 6396 N N . ALA B 185 ? 0.4884 0.3805 0.3661 0.0044 0.0171 -0.0203 185 ALA B N 6397 C CA . ALA B 185 ? 0.4948 0.3799 0.3674 0.0021 0.0191 -0.0197 185 ALA B CA 6398 C C . ALA B 185 ? 0.5100 0.3872 0.3803 -0.0062 0.0233 -0.0191 185 ALA B C 6399 O O . ALA B 185 ? 0.5293 0.3907 0.3858 -0.0073 0.0260 -0.0186 185 ALA B O 6400 C CB . ALA B 185 ? 0.4650 0.3644 0.3504 0.0015 0.0177 -0.0200 185 ALA B CB 6401 N N . TYR B 186 ? 0.4908 0.3787 0.3740 -0.0122 0.0239 -0.0194 186 TYR B N 6402 C CA . TYR B 186 ? 0.5229 0.4071 0.4070 -0.0205 0.0276 -0.0196 186 TYR B CA 6403 C C . TYR B 186 ? 0.5392 0.4109 0.4135 -0.0230 0.0296 -0.0200 186 TYR B C 6404 O O . TYR B 186 ? 0.5413 0.4055 0.4117 -0.0295 0.0333 -0.0204 186 TYR B O 6405 C CB . TYR B 186 ? 0.5054 0.4057 0.4065 -0.0253 0.0273 -0.0202 186 TYR B CB 6406 C CG . TYR B 186 ? 0.5119 0.4194 0.4194 -0.0256 0.0272 -0.0199 186 TYR B CG 6407 C CD1 . TYR B 186 ? 0.5251 0.4266 0.4287 -0.0298 0.0304 -0.0198 186 TYR B CD1 6408 C CD2 . TYR B 186 ? 0.5082 0.4279 0.4248 -0.0217 0.0241 -0.0198 186 TYR B CD2 6409 C CE1 . TYR B 186 ? 0.5244 0.4319 0.4331 -0.0297 0.0302 -0.0195 186 TYR B CE1 6410 C CE2 . TYR B 186 ? 0.5156 0.4412 0.4373 -0.0219 0.0239 -0.0197 186 TYR B CE2 6411 C CZ . TYR B 186 ? 0.5189 0.4382 0.4364 -0.0257 0.0268 -0.0194 186 TYR B CZ 6412 O OH . TYR B 186 ? 0.5311 0.4556 0.4531 -0.0258 0.0266 -0.0192 186 TYR B OH 6413 N N . LYS B 187 ? 0.5627 0.4322 0.4328 -0.0179 0.0274 -0.0200 187 LYS B N 6414 C CA . LYS B 187 ? 0.5900 0.4458 0.4486 -0.0193 0.0290 -0.0203 187 LYS B CA 6415 C C . LYS B 187 ? 0.6168 0.4528 0.4574 -0.0195 0.0321 -0.0198 187 LYS B C 6416 O O . LYS B 187 ? 0.6184 0.4424 0.4507 -0.0249 0.0354 -0.0203 187 LYS B O 6417 C CB . LYS B 187 ? 0.6086 0.4653 0.4648 -0.0126 0.0258 -0.0203 187 LYS B CB 6418 C CG . LYS B 187 ? 0.6265 0.4961 0.4959 -0.0149 0.0244 -0.0210 187 LYS B CG 6419 C CD . LYS B 187 ? 0.6570 0.5225 0.5203 -0.0099 0.0226 -0.0211 187 LYS B CD 6420 C CE . LYS B 187 ? 0.7009 0.5492 0.5504 -0.0129 0.0249 -0.0215 187 LYS B CE 6421 N NZ . LYS B 187 ? 0.7102 0.5542 0.5537 -0.0082 0.0231 -0.0217 187 LYS B NZ 6422 N N . GLN B 188 ? 0.6190 0.4516 0.4534 -0.0138 0.0311 -0.0189 188 GLN B N 6423 C CA . GLN B 188 ? 0.6449 0.4579 0.4608 -0.0129 0.0339 -0.0183 188 GLN B CA 6424 C C . GLN B 188 ? 0.6424 0.4517 0.4588 -0.0214 0.0387 -0.0183 188 GLN B C 6425 O O . GLN B 188 ? 0.6675 0.4591 0.4681 -0.0224 0.0422 -0.0178 188 GLN B O 6426 C CB . GLN B 188 ? 0.6683 0.4790 0.4769 -0.0030 0.0308 -0.0177 188 GLN B CB 6427 C CG . GLN B 188 ? 0.7026 0.5127 0.5062 0.0057 0.0268 -0.0181 188 GLN B CG 6428 C CD . GLN B 188 ? 0.7356 0.5499 0.5372 0.0156 0.0228 -0.0184 188 GLN B CD 6429 O OE1 . GLN B 188 ? 0.7495 0.5812 0.5648 0.0190 0.0191 -0.0193 188 GLN B OE1 6430 N NE2 . GLN B 188 ? 0.7618 0.5599 0.5460 0.0203 0.0235 -0.0180 188 GLN B NE2 6431 N N . ASP B 189 ? 0.5995 0.4250 0.4333 -0.0274 0.0390 -0.0190 189 ASP B N 6432 C CA . ASP B 189 ? 0.5943 0.4183 0.4303 -0.0360 0.0436 -0.0196 189 ASP B CA 6433 C C . ASP B 189 ? 0.5986 0.4217 0.4375 -0.0444 0.0465 -0.0213 189 ASP B C 6434 O O . ASP B 189 ? 0.6001 0.4225 0.4412 -0.0524 0.0507 -0.0225 189 ASP B O 6435 C CB . ASP B 189 ? 0.5795 0.4211 0.4318 -0.0373 0.0424 -0.0197 189 ASP B CB 6436 C CG . ASP B 189 ? 0.5815 0.4231 0.4304 -0.0302 0.0401 -0.0184 189 ASP B CG 6437 O OD1 . ASP B 189 ? 0.6060 0.4317 0.4389 -0.0275 0.0419 -0.0176 189 ASP B OD1 6438 O OD2 . ASP B 189 ? 0.5613 0.4184 0.4230 -0.0273 0.0366 -0.0184 189 ASP B OD2 6439 N N . GLY B 190 ? 0.5822 0.4055 0.4210 -0.0426 0.0443 -0.0217 190 GLY B N 6440 C CA . GLY B 190 ? 0.5771 0.3992 0.4180 -0.0499 0.0464 -0.0237 190 GLY B CA 6441 C C . GLY B 190 ? 0.5539 0.3955 0.4134 -0.0521 0.0437 -0.0250 190 GLY B C 6442 O O . GLY B 190 ? 0.5437 0.3868 0.4070 -0.0581 0.0450 -0.0271 190 GLY B O 6443 N N . PHE B 191 ? 0.5334 0.3896 0.4042 -0.0472 0.0400 -0.0241 191 PHE B N 6444 C CA . PHE B 191 ? 0.5019 0.3754 0.3890 -0.0482 0.0373 -0.0251 191 PHE B CA 6445 C C . PHE B 191 ? 0.4964 0.3710 0.3827 -0.0428 0.0339 -0.0246 191 PHE B C 6446 O O . PHE B 191 ? 0.4954 0.3655 0.3748 -0.0357 0.0320 -0.0232 191 PHE B O 6447 C CB . PHE B 191 ? 0.4814 0.3691 0.3803 -0.0463 0.0355 -0.0243 191 PHE B CB 6448 C CG . PHE B 191 ? 0.4714 0.3596 0.3722 -0.0515 0.0388 -0.0248 191 PHE B CG 6449 C CD1 . PHE B 191 ? 0.4612 0.3578 0.3718 -0.0585 0.0405 -0.0270 191 PHE B CD1 6450 C CD2 . PHE B 191 ? 0.4776 0.3578 0.3701 -0.0492 0.0401 -0.0234 191 PHE B CD2 6451 C CE1 . PHE B 191 ? 0.4564 0.3542 0.3691 -0.0632 0.0437 -0.0277 191 PHE B CE1 6452 C CE2 . PHE B 191 ? 0.4716 0.3518 0.3653 -0.0540 0.0435 -0.0239 191 PHE B CE2 6453 C CZ . PHE B 191 ? 0.4703 0.3595 0.3744 -0.0612 0.0454 -0.0260 191 PHE B CZ 6454 N N . THR B 192 ? 0.4852 0.3663 0.3786 -0.0458 0.0331 -0.0262 192 THR B N 6455 C CA . THR B 192 ? 0.4860 0.3696 0.3801 -0.0409 0.0299 -0.0259 192 THR B CA 6456 C C . THR B 192 ? 0.4617 0.3565 0.3632 -0.0343 0.0267 -0.0244 192 THR B C 6457 O O . THR B 192 ? 0.4551 0.3485 0.3528 -0.0283 0.0246 -0.0236 192 THR B O 6458 C CB . THR B 192 ? 0.4984 0.3887 0.4002 -0.0451 0.0293 -0.0280 192 THR B CB 6459 O OG1 . THR B 192 ? 0.5021 0.4074 0.4182 -0.0478 0.0287 -0.0288 192 THR B OG1 6460 C CG2 . THR B 192 ? 0.5175 0.3968 0.4120 -0.0519 0.0324 -0.0301 192 THR B CG2 6461 N N . ASP B 193 ? 0.4458 0.3516 0.3575 -0.0357 0.0266 -0.0242 193 ASP B N 6462 C CA . ASP B 193 ? 0.4260 0.3422 0.3449 -0.0305 0.0241 -0.0231 193 ASP B CA 6463 C C . ASP B 193 ? 0.4055 0.3298 0.3326 -0.0329 0.0247 -0.0229 193 ASP B C 6464 O O . ASP B 193 ? 0.4139 0.3374 0.3424 -0.0385 0.0270 -0.0238 193 ASP B O 6465 C CB . ASP B 193 ? 0.4240 0.3499 0.3509 -0.0283 0.0218 -0.0233 193 ASP B CB 6466 C CG . ASP B 193 ? 0.4384 0.3724 0.3748 -0.0335 0.0220 -0.0246 193 ASP B CG 6467 O OD1 . ASP B 193 ? 0.4378 0.3801 0.3825 -0.0357 0.0223 -0.0248 193 ASP B OD1 6468 O OD2 . ASP B 193 ? 0.4447 0.3766 0.3800 -0.0349 0.0218 -0.0257 193 ASP B OD2 6469 N N . THR B 194 ? 0.3885 0.3210 0.3211 -0.0288 0.0228 -0.0221 194 THR B N 6470 C CA . THR B 194 ? 0.3753 0.3155 0.3154 -0.0305 0.0231 -0.0219 194 THR B CA 6471 C C . THR B 194 ? 0.3652 0.3138 0.3151 -0.0357 0.0237 -0.0230 194 THR B C 6472 O O . THR B 194 ? 0.3732 0.3231 0.3255 -0.0393 0.0253 -0.0234 194 THR B O 6473 C CB . THR B 194 ? 0.3627 0.3111 0.3079 -0.0256 0.0208 -0.0213 194 THR B CB 6474 O OG1 . THR B 194 ? 0.3625 0.3042 0.2989 -0.0201 0.0197 -0.0209 194 THR B OG1 6475 C CG2 . THR B 194 ? 0.3556 0.3093 0.3061 -0.0271 0.0211 -0.0211 194 THR B CG2 6476 N N . GLY B 195 ? 0.3629 0.3171 0.3180 -0.0355 0.0224 -0.0235 195 GLY B N 6477 C CA . GLY B 195 ? 0.3640 0.3258 0.3274 -0.0394 0.0225 -0.0249 195 GLY B CA 6478 C C . GLY B 195 ? 0.3771 0.3347 0.3384 -0.0450 0.0249 -0.0265 195 GLY B C 6479 O O . GLY B 195 ? 0.3803 0.3440 0.3478 -0.0483 0.0256 -0.0276 195 GLY B O 6480 N N . ALA B 196 ? 0.3880 0.3350 0.3403 -0.0462 0.0262 -0.0269 196 ALA B N 6481 C CA . ALA B 196 ? 0.4003 0.3420 0.3497 -0.0524 0.0291 -0.0288 196 ALA B CA 6482 C C . ALA B 196 ? 0.4033 0.3427 0.3511 -0.0547 0.0316 -0.0284 196 ALA B C 6483 O O . ALA B 196 ? 0.4120 0.3541 0.3634 -0.0602 0.0339 -0.0304 196 ALA B O 6484 C CB . ALA B 196 ? 0.4197 0.3486 0.3581 -0.0531 0.0302 -0.0291 196 ALA B CB 6485 N N . TYR B 197 ? 0.4045 0.3397 0.3473 -0.0504 0.0313 -0.0262 197 TYR B N 6486 C CA . TYR B 197 ? 0.4126 0.3460 0.3538 -0.0515 0.0332 -0.0257 197 TYR B CA 6487 C C . TYR B 197 ? 0.3930 0.3396 0.3462 -0.0529 0.0326 -0.0262 197 TYR B C 6488 O O . TYR B 197 ? 0.3750 0.3228 0.3301 -0.0572 0.0350 -0.0273 197 TYR B O 6489 C CB . TYR B 197 ? 0.4331 0.3608 0.3671 -0.0454 0.0320 -0.0235 197 TYR B CB 6490 C CG . TYR B 197 ? 0.4644 0.3915 0.3976 -0.0457 0.0334 -0.0228 197 TYR B CG 6491 C CD1 . TYR B 197 ? 0.4705 0.3893 0.3975 -0.0505 0.0374 -0.0234 197 TYR B CD1 6492 C CD2 . TYR B 197 ? 0.4723 0.4068 0.4105 -0.0415 0.0310 -0.0218 197 TYR B CD2 6493 C CE1 . TYR B 197 ? 0.4931 0.4110 0.4188 -0.0506 0.0389 -0.0228 197 TYR B CE1 6494 C CE2 . TYR B 197 ? 0.4927 0.4262 0.4297 -0.0416 0.0321 -0.0213 197 TYR B CE2 6495 C CZ . TYR B 197 ? 0.5049 0.4300 0.4354 -0.0459 0.0360 -0.0217 197 TYR B CZ 6496 O OH . TYR B 197 ? 0.5423 0.4659 0.4710 -0.0459 0.0374 -0.0211 197 TYR B OH 6497 N N . TRP B 198 ? 0.3723 0.3283 0.3329 -0.0493 0.0294 -0.0256 198 TRP B N 6498 C CA . TRP B 198 ? 0.3636 0.3310 0.3344 -0.0499 0.0286 -0.0261 198 TRP B CA 6499 C C . TRP B 198 ? 0.3716 0.3445 0.3483 -0.0550 0.0298 -0.0287 198 TRP B C 6500 O O . TRP B 198 ? 0.3832 0.3612 0.3644 -0.0574 0.0310 -0.0296 198 TRP B O 6501 C CB . TRP B 198 ? 0.3415 0.3163 0.3178 -0.0456 0.0254 -0.0252 198 TRP B CB 6502 C CG . TRP B 198 ? 0.3295 0.3032 0.3035 -0.0410 0.0242 -0.0234 198 TRP B CG 6503 C CD1 . TRP B 198 ? 0.3337 0.2999 0.3003 -0.0394 0.0250 -0.0225 198 TRP B CD1 6504 C CD2 . TRP B 198 ? 0.3211 0.3014 0.2999 -0.0374 0.0219 -0.0226 198 TRP B CD2 6505 N NE1 . TRP B 198 ? 0.3267 0.2956 0.2940 -0.0348 0.0229 -0.0215 198 TRP B NE1 6506 C CE2 . TRP B 198 ? 0.3186 0.2963 0.2937 -0.0340 0.0213 -0.0216 198 TRP B CE2 6507 C CE3 . TRP B 198 ? 0.3175 0.3052 0.3029 -0.0368 0.0206 -0.0229 198 TRP B CE3 6508 C CZ2 . TRP B 198 ? 0.3078 0.2914 0.2868 -0.0306 0.0195 -0.0213 198 TRP B CZ2 6509 C CZ3 . TRP B 198 ? 0.2929 0.2850 0.2811 -0.0336 0.0192 -0.0221 198 TRP B CZ3 6510 C CH2 . TRP B 198 ? 0.2967 0.2874 0.2824 -0.0308 0.0187 -0.0215 198 TRP B CH2 6511 N N . ARG B 199 ? 0.3764 0.3484 0.3527 -0.0565 0.0294 -0.0302 199 ARG B N 6512 C CA . ARG B 199 ? 0.3988 0.3772 0.3812 -0.0609 0.0300 -0.0333 199 ARG B CA 6513 C C . ARG B 199 ? 0.4283 0.4029 0.4083 -0.0668 0.0339 -0.0351 199 ARG B C 6514 O O . ARG B 199 ? 0.4329 0.4155 0.4199 -0.0704 0.0348 -0.0379 199 ARG B O 6515 C CB . ARG B 199 ? 0.3933 0.3709 0.3751 -0.0610 0.0285 -0.0347 199 ARG B CB 6516 C CG . ARG B 199 ? 0.3744 0.3573 0.3597 -0.0560 0.0251 -0.0336 199 ARG B CG 6517 C CD . ARG B 199 ? 0.3844 0.3671 0.3695 -0.0564 0.0237 -0.0355 199 ARG B CD 6518 N NE . ARG B 199 ? 0.3959 0.3676 0.3721 -0.0569 0.0247 -0.0350 199 ARG B NE 6519 C CZ . ARG B 199 ? 0.4068 0.3729 0.3773 -0.0524 0.0236 -0.0326 199 ARG B CZ 6520 N NH1 . ARG B 199 ? 0.3739 0.3448 0.3475 -0.0477 0.0217 -0.0307 199 ARG B NH1 6521 N NH2 . ARG B 199 ? 0.4225 0.3779 0.3840 -0.0527 0.0245 -0.0325 199 ARG B NH2 6522 N N . SER B 200 ? 0.4562 0.4185 0.4260 -0.0675 0.0363 -0.0337 200 SER B N 6523 C CA . SER B 200 ? 0.4863 0.4422 0.4516 -0.0734 0.0408 -0.0353 200 SER B CA 6524 C C . SER B 200 ? 0.4944 0.4566 0.4649 -0.0753 0.0426 -0.0357 200 SER B C 6525 O O . SER B 200 ? 0.4965 0.4590 0.4679 -0.0812 0.0463 -0.0382 200 SER B O 6526 C CB . SER B 200 ? 0.4939 0.4333 0.4451 -0.0727 0.0430 -0.0332 200 SER B CB 6527 O OG . SER B 200 ? 0.4963 0.4324 0.4434 -0.0677 0.0422 -0.0303 200 SER B OG 6528 N N . TRP B 201 ? 0.4984 0.4660 0.4725 -0.0704 0.0402 -0.0336 201 TRP B N 6529 C CA . TRP B 201 ? 0.5046 0.4783 0.4834 -0.0713 0.0414 -0.0339 201 TRP B CA 6530 C C . TRP B 201 ? 0.4870 0.4730 0.4763 -0.0751 0.0419 -0.0375 201 TRP B C 6531 O O . TRP B 201 ? 0.5050 0.4956 0.4977 -0.0771 0.0439 -0.0385 201 TRP B O 6532 C CB . TRP B 201 ? 0.5319 0.5098 0.5133 -0.0654 0.0382 -0.0313 201 TRP B CB 6533 C CG . TRP B 201 ? 0.5493 0.5176 0.5219 -0.0610 0.0374 -0.0283 201 TRP B CG 6534 C CD1 . TRP B 201 ? 0.5820 0.5373 0.5434 -0.0614 0.0398 -0.0274 201 TRP B CD1 6535 C CD2 . TRP B 201 ? 0.5613 0.5325 0.5356 -0.0553 0.0339 -0.0263 201 TRP B CD2 6536 N NE1 . TRP B 201 ? 0.5783 0.5290 0.5345 -0.0557 0.0375 -0.0250 201 TRP B NE1 6537 C CE2 . TRP B 201 ? 0.5726 0.5335 0.5371 -0.0522 0.0339 -0.0245 201 TRP B CE2 6538 C CE3 . TRP B 201 ? 0.5661 0.5472 0.5485 -0.0526 0.0309 -0.0261 201 TRP B CE3 6539 C CZ2 . TRP B 201 ? 0.5779 0.5400 0.5421 -0.0467 0.0309 -0.0229 201 TRP B CZ2 6540 C CZ3 . TRP B 201 ? 0.5590 0.5402 0.5406 -0.0478 0.0284 -0.0243 201 TRP B CZ3 6541 C CH2 . TRP B 201 ? 0.5661 0.5388 0.5394 -0.0450 0.0284 -0.0229 201 TRP B CH2 6542 N N . TYR B 202 ? 0.4463 0.4379 0.4404 -0.0757 0.0398 -0.0396 202 TYR B N 6543 C CA . TYR B 202 ? 0.4443 0.4484 0.4483 -0.0784 0.0395 -0.0436 202 TYR B CA 6544 C C . TYR B 202 ? 0.4759 0.4794 0.4801 -0.0856 0.0432 -0.0475 202 TYR B C 6545 O O . TYR B 202 ? 0.4819 0.4967 0.4947 -0.0883 0.0432 -0.0516 202 TYR B O 6546 C CB . TYR B 202 ? 0.3989 0.4107 0.4085 -0.0742 0.0349 -0.0441 202 TYR B CB 6547 C CG . TYR B 202 ? 0.3799 0.3947 0.3911 -0.0684 0.0321 -0.0412 202 TYR B CG 6548 C CD1 . TYR B 202 ? 0.3721 0.3796 0.3776 -0.0643 0.0308 -0.0374 202 TYR B CD1 6549 C CD2 . TYR B 202 ? 0.3685 0.3933 0.3867 -0.0670 0.0311 -0.0424 202 TYR B CD2 6550 C CE1 . TYR B 202 ? 0.3525 0.3629 0.3598 -0.0598 0.0287 -0.0351 202 TYR B CE1 6551 C CE2 . TYR B 202 ? 0.3394 0.3658 0.3583 -0.0622 0.0290 -0.0398 202 TYR B CE2 6552 C CZ . TYR B 202 ? 0.3418 0.3611 0.3555 -0.0589 0.0279 -0.0362 202 TYR B CZ 6553 O OH . TYR B 202 ? 0.3231 0.3442 0.3378 -0.0549 0.0261 -0.0341 202 TYR B OH 6554 N N . ASN B 203 ? 0.5332 0.5234 0.5275 -0.0887 0.0463 -0.0466 203 ASN B N 6555 C CA . ASN B 203 ? 0.5615 0.5483 0.5540 -0.0964 0.0505 -0.0502 203 ASN B CA 6556 C C . ASN B 203 ? 0.5644 0.5639 0.5671 -0.0994 0.0490 -0.0553 203 ASN B C 6557 O O . ASN B 203 ? 0.5739 0.5813 0.5829 -0.1049 0.0517 -0.0595 203 ASN B O 6558 C CB . ASN B 203 ? 0.5963 0.5807 0.5869 -0.1013 0.0559 -0.0509 203 ASN B CB 6559 C CG . ASN B 203 ? 0.6388 0.6080 0.6169 -0.0990 0.0580 -0.0464 203 ASN B CG 6560 O OD1 . ASN B 203 ? 0.6838 0.6402 0.6517 -0.0971 0.0577 -0.0441 203 ASN B OD1 6561 N ND2 . ASN B 203 ? 0.6506 0.6211 0.6291 -0.0987 0.0600 -0.0454 203 ASN B ND2 6562 N N . SER B 204 ? 0.5588 0.5608 0.5633 -0.0953 0.0445 -0.0551 204 SER B N 6563 C CA . SER B 204 ? 0.5770 0.5897 0.5897 -0.0972 0.0424 -0.0599 204 SER B CA 6564 C C . SER B 204 ? 0.5963 0.6002 0.6026 -0.0968 0.0410 -0.0595 204 SER B C 6565 O O . SER B 204 ? 0.5828 0.5826 0.5854 -0.0907 0.0377 -0.0559 204 SER B O 6566 C CB . SER B 204 ? 0.5862 0.6124 0.6079 -0.0912 0.0375 -0.0604 204 SER B CB 6567 O OG . SER B 204 ? 0.6092 0.6403 0.6341 -0.0893 0.0382 -0.0590 204 SER B OG 6568 N N . PRO B 205 ? 0.6000 0.6008 0.6047 -0.1037 0.0437 -0.0633 205 PRO B N 6569 C CA . PRO B 205 ? 0.6019 0.5933 0.5997 -0.1039 0.0426 -0.0632 205 PRO B CA 6570 C C . PRO B 205 ? 0.5833 0.5830 0.5865 -0.0982 0.0368 -0.0639 205 PRO B C 6571 O O . PRO B 205 ? 0.6115 0.6035 0.6086 -0.0955 0.0349 -0.0622 205 PRO B O 6572 C CB . PRO B 205 ? 0.6087 0.5999 0.6074 -0.1132 0.0465 -0.0688 205 PRO B CB 6573 C CG . PRO B 205 ? 0.6086 0.6154 0.6192 -0.1165 0.0476 -0.0729 205 PRO B CG 6574 C CD . PRO B 205 ? 0.6122 0.6195 0.6226 -0.1118 0.0478 -0.0685 205 PRO B CD 6575 N N . THR B 206 ? 0.5582 0.5731 0.5722 -0.0960 0.0342 -0.0662 206 THR B N 6576 C CA . THR B 206 ? 0.5384 0.5616 0.5574 -0.0907 0.0289 -0.0675 206 THR B CA 6577 C C . THR B 206 ? 0.5037 0.5318 0.5252 -0.0829 0.0257 -0.0638 206 THR B C 6578 O O . THR B 206 ? 0.4905 0.5277 0.5174 -0.0786 0.0218 -0.0655 206 THR B O 6579 C CB . THR B 206 ? 0.5516 0.5877 0.5799 -0.0947 0.0279 -0.0747 206 THR B CB 6580 O OG1 . THR B 206 ? 0.5744 0.6167 0.6057 -0.0892 0.0226 -0.0761 206 THR B OG1 6581 C CG2 . THR B 206 ? 0.5357 0.5845 0.5732 -0.0966 0.0293 -0.0776 206 THR B CG2 6582 N N . PHE B 207 ? 0.4735 0.4947 0.4902 -0.0812 0.0276 -0.0591 207 PHE B N 6583 C CA . PHE B 207 ? 0.4516 0.4759 0.4698 -0.0749 0.0254 -0.0555 207 PHE B CA 6584 C C . PHE B 207 ? 0.4436 0.4707 0.4627 -0.0686 0.0209 -0.0547 207 PHE B C 6585 O O . PHE B 207 ? 0.4239 0.4603 0.4487 -0.0654 0.0184 -0.0560 207 PHE B O 6586 C CB . PHE B 207 ? 0.4223 0.4359 0.4330 -0.0736 0.0275 -0.0504 207 PHE B CB 6587 C CG . PHE B 207 ? 0.3961 0.4132 0.4089 -0.0686 0.0261 -0.0473 207 PHE B CG 6588 C CD1 . PHE B 207 ? 0.3871 0.4144 0.4072 -0.0684 0.0257 -0.0490 207 PHE B CD1 6589 C CD2 . PHE B 207 ? 0.3978 0.4080 0.4052 -0.0643 0.0253 -0.0429 207 PHE B CD2 6590 C CE1 . PHE B 207 ? 0.3741 0.4035 0.3952 -0.0641 0.0246 -0.0463 207 PHE B CE1 6591 C CE2 . PHE B 207 ? 0.3803 0.3936 0.3897 -0.0604 0.0242 -0.0404 207 PHE B CE2 6592 C CZ . PHE B 207 ? 0.3799 0.4021 0.3957 -0.0604 0.0239 -0.0420 207 PHE B CZ 6593 N N . GLU B 208 ? 0.4713 0.4898 0.4839 -0.0669 0.0201 -0.0526 208 GLU B N 6594 C CA . GLU B 208 ? 0.4889 0.5081 0.5007 -0.0610 0.0165 -0.0513 208 GLU B CA 6595 C C . GLU B 208 ? 0.4900 0.5183 0.5073 -0.0600 0.0135 -0.0558 208 GLU B C 6596 O O . GLU B 208 ? 0.4761 0.5087 0.4950 -0.0548 0.0106 -0.0553 208 GLU B O 6597 C CB . GLU B 208 ? 0.5284 0.5367 0.5321 -0.0595 0.0166 -0.0485 208 GLU B CB 6598 C CG . GLU B 208 ? 0.5505 0.5510 0.5489 -0.0587 0.0188 -0.0442 208 GLU B CG 6599 C CD . GLU B 208 ? 0.5972 0.5867 0.5870 -0.0577 0.0193 -0.0421 208 GLU B CD 6600 O OE1 . GLU B 208 ? 0.5878 0.5760 0.5756 -0.0530 0.0173 -0.0403 208 GLU B OE1 6601 O OE2 . GLU B 208 ? 0.6312 0.6128 0.6155 -0.0614 0.0219 -0.0423 208 GLU B OE2 6602 N N . ASP B 209 ? 0.4808 0.5116 0.5003 -0.0651 0.0141 -0.0604 209 ASP B N 6603 C CA . ASP B 209 ? 0.4676 0.5086 0.4932 -0.0645 0.0110 -0.0657 209 ASP B CA 6604 C C . ASP B 209 ? 0.4428 0.4958 0.4760 -0.0628 0.0099 -0.0678 209 ASP B C 6605 O O . ASP B 209 ? 0.4560 0.5157 0.4917 -0.0577 0.0062 -0.0696 209 ASP B O 6606 C CB . ASP B 209 ? 0.4962 0.5380 0.5232 -0.0713 0.0123 -0.0707 209 ASP B CB 6607 C CG . ASP B 209 ? 0.5211 0.5514 0.5401 -0.0721 0.0125 -0.0694 209 ASP B CG 6608 O OD1 . ASP B 209 ? 0.5299 0.5546 0.5438 -0.0664 0.0104 -0.0657 209 ASP B OD1 6609 O OD2 . ASP B 209 ? 0.5312 0.5578 0.5487 -0.0785 0.0148 -0.0722 209 ASP B OD2 6610 N N . ASP B 210 ? 0.4367 0.4918 0.4727 -0.0666 0.0132 -0.0677 210 ASP B N 6611 C CA . ASP B 210 ? 0.4086 0.4743 0.4512 -0.0649 0.0126 -0.0694 210 ASP B CA 6612 C C . ASP B 210 ? 0.3856 0.4505 0.4260 -0.0574 0.0100 -0.0656 210 ASP B C 6613 O O . ASP B 210 ? 0.3603 0.4335 0.4044 -0.0531 0.0070 -0.0679 210 ASP B O 6614 C CB . ASP B 210 ? 0.4298 0.4950 0.4738 -0.0701 0.0170 -0.0688 210 ASP B CB 6615 C CG . ASP B 210 ? 0.4684 0.5348 0.5146 -0.0782 0.0203 -0.0732 210 ASP B CG 6616 O OD1 . ASP B 210 ? 0.4921 0.5645 0.5421 -0.0798 0.0185 -0.0782 210 ASP B OD1 6617 O OD2 . ASP B 210 ? 0.5068 0.5676 0.5505 -0.0831 0.0247 -0.0718 210 ASP B OD2 6618 N N . LEU B 211 ? 0.3718 0.4264 0.4058 -0.0558 0.0112 -0.0600 211 LEU B N 6619 C CA . LEU B 211 ? 0.3649 0.4172 0.3961 -0.0496 0.0094 -0.0562 211 LEU B CA 6620 C C . LEU B 211 ? 0.3630 0.4167 0.3928 -0.0445 0.0056 -0.0574 211 LEU B C 6621 O O . LEU B 211 ? 0.3409 0.3982 0.3711 -0.0395 0.0034 -0.0575 211 LEU B O 6622 C CB . LEU B 211 ? 0.3670 0.4088 0.3921 -0.0494 0.0114 -0.0508 211 LEU B CB 6623 C CG . LEU B 211 ? 0.3630 0.4012 0.3873 -0.0531 0.0148 -0.0487 211 LEU B CG 6624 C CD1 . LEU B 211 ? 0.3647 0.3927 0.3823 -0.0521 0.0160 -0.0442 211 LEU B CD1 6625 C CD2 . LEU B 211 ? 0.3632 0.4068 0.3910 -0.0519 0.0151 -0.0483 211 LEU B CD2 6626 N N . GLU B 212 ? 0.3810 0.4307 0.4080 -0.0454 0.0049 -0.0583 212 GLU B N 6627 C CA . GLU B 212 ? 0.3968 0.4466 0.4214 -0.0404 0.0014 -0.0594 212 GLU B CA 6628 C C . GLU B 212 ? 0.3758 0.4365 0.4056 -0.0382 -0.0016 -0.0648 212 GLU B C 6629 O O . GLU B 212 ? 0.3679 0.4294 0.3954 -0.0320 -0.0045 -0.0648 212 GLU B O 6630 C CB . GLU B 212 ? 0.4447 0.4878 0.4650 -0.0419 0.0013 -0.0595 212 GLU B CB 6631 C CG . GLU B 212 ? 0.5010 0.5458 0.5198 -0.0379 -0.0024 -0.0624 212 GLU B CG 6632 C CD . GLU B 212 ? 0.5673 0.6090 0.5813 -0.0307 -0.0043 -0.0596 212 GLU B CD 6633 O OE1 . GLU B 212 ? 0.5944 0.6345 0.6073 -0.0286 -0.0031 -0.0561 212 GLU B OE1 6634 O OE2 . GLU B 212 ? 0.6336 0.6738 0.6441 -0.0270 -0.0070 -0.0611 212 GLU B OE2 6635 N N . HIS B 213 ? 0.3804 0.4491 0.4168 -0.0431 -0.0009 -0.0696 213 HIS B N 6636 C CA A HIS B 213 ? 0.3781 0.4593 0.4207 -0.0412 -0.0039 -0.0755 213 HIS B CA 6637 C CA B HIS B 213 ? 0.3779 0.4591 0.4205 -0.0411 -0.0039 -0.0755 213 HIS B CA 6638 C C . HIS B 213 ? 0.3695 0.4550 0.4132 -0.0364 -0.0048 -0.0745 213 HIS B C 6639 O O . HIS B 213 ? 0.3771 0.4685 0.4213 -0.0306 -0.0085 -0.0774 213 HIS B O 6640 C CB A HIS B 213 ? 0.3905 0.4800 0.4407 -0.0485 -0.0020 -0.0809 213 HIS B CB 6641 C CB B HIS B 213 ? 0.3891 0.4787 0.4393 -0.0484 -0.0022 -0.0810 213 HIS B CB 6642 C CG A HIS B 213 ? 0.4051 0.4919 0.4545 -0.0530 -0.0019 -0.0835 213 HIS B CG 6643 C CG B HIS B 213 ? 0.3969 0.5005 0.4542 -0.0466 -0.0057 -0.0882 213 HIS B CG 6644 N ND1 A HIS B 213 ? 0.4153 0.5015 0.4672 -0.0614 0.0017 -0.0855 213 HIS B ND1 6645 N ND1 B HIS B 213 ? 0.4033 0.5091 0.4590 -0.0414 -0.0103 -0.0913 213 HIS B ND1 6646 C CD2 A HIS B 213 ? 0.4120 0.4954 0.4576 -0.0502 -0.0050 -0.0845 213 HIS B CD2 6647 C CD2 B HIS B 213 ? 0.4021 0.5187 0.4680 -0.0489 -0.0053 -0.0934 213 HIS B CD2 6648 C CE1 A HIS B 213 ? 0.4176 0.5003 0.4673 -0.0638 0.0009 -0.0877 213 HIS B CE1 6649 C CE1 B HIS B 213 ? 0.4096 0.5294 0.4727 -0.0403 -0.0130 -0.0982 213 HIS B CE1 6650 N NE2 A HIS B 213 ? 0.4157 0.4970 0.4618 -0.0569 -0.0032 -0.0871 213 HIS B NE2 6651 N NE2 B HIS B 213 ? 0.4046 0.5316 0.4743 -0.0449 -0.0100 -0.0997 213 HIS B NE2 6652 N N . LEU B 214 ? 0.3478 0.4298 0.3911 -0.0384 -0.0015 -0.0705 214 LEU B N 6653 C CA . LEU B 214 ? 0.3478 0.4321 0.3909 -0.0339 -0.0021 -0.0690 214 LEU B CA 6654 C C . LEU B 214 ? 0.3405 0.4175 0.3761 -0.0269 -0.0044 -0.0657 214 LEU B C 6655 O O . LEU B 214 ? 0.3330 0.4135 0.3675 -0.0211 -0.0071 -0.0672 214 LEU B O 6656 C CB . LEU B 214 ? 0.3381 0.4191 0.3817 -0.0376 0.0017 -0.0653 214 LEU B CB 6657 C CG . LEU B 214 ? 0.3460 0.4335 0.3961 -0.0440 0.0047 -0.0681 214 LEU B CG 6658 C CD1 . LEU B 214 ? 0.3324 0.4120 0.3798 -0.0476 0.0087 -0.0633 214 LEU B CD1 6659 C CD2 . LEU B 214 ? 0.3470 0.4465 0.4032 -0.0419 0.0033 -0.0723 214 LEU B CD2 6660 N N . TYR B 215 ? 0.3389 0.4056 0.3688 -0.0274 -0.0031 -0.0613 215 TYR B N 6661 C CA . TYR B 215 ? 0.3360 0.3954 0.3585 -0.0214 -0.0045 -0.0581 215 TYR B CA 6662 C C . TYR B 215 ? 0.3430 0.4046 0.3629 -0.0158 -0.0086 -0.0616 215 TYR B C 6663 O O . TYR B 215 ? 0.3332 0.3918 0.3477 -0.0098 -0.0102 -0.0606 215 TYR B O 6664 C CB . TYR B 215 ? 0.3403 0.3893 0.3577 -0.0229 -0.0021 -0.0531 215 TYR B CB 6665 C CG . TYR B 215 ? 0.3410 0.3832 0.3517 -0.0177 -0.0023 -0.0496 215 TYR B CG 6666 C CD1 . TYR B 215 ? 0.3509 0.3914 0.3607 -0.0170 -0.0008 -0.0469 215 TYR B CD1 6667 C CD2 . TYR B 215 ? 0.3459 0.3832 0.3506 -0.0135 -0.0040 -0.0494 215 TYR B CD2 6668 C CE1 . TYR B 215 ? 0.3498 0.3836 0.3531 -0.0129 -0.0005 -0.0441 215 TYR B CE1 6669 C CE2 . TYR B 215 ? 0.3532 0.3836 0.3510 -0.0092 -0.0036 -0.0465 215 TYR B CE2 6670 C CZ . TYR B 215 ? 0.3570 0.3857 0.3542 -0.0092 -0.0018 -0.0438 215 TYR B CZ 6671 O OH . TYR B 215 ? 0.3859 0.4071 0.3759 -0.0056 -0.0009 -0.0411 215 TYR B OH 6672 N N . GLN B 216 ? 0.3598 0.4261 0.3829 -0.0177 -0.0102 -0.0659 216 GLN B N 6673 C CA . GLN B 216 ? 0.3838 0.4532 0.4049 -0.0122 -0.0145 -0.0700 216 GLN B CA 6674 C C . GLN B 216 ? 0.3748 0.4522 0.3973 -0.0067 -0.0175 -0.0736 216 GLN B C 6675 O O . GLN B 216 ? 0.3666 0.4416 0.3829 0.0004 -0.0207 -0.0744 216 GLN B O 6676 C CB . GLN B 216 ? 0.4250 0.4999 0.4508 -0.0161 -0.0158 -0.0749 216 GLN B CB 6677 C CG . GLN B 216 ? 0.4724 0.5379 0.4938 -0.0189 -0.0143 -0.0720 216 GLN B CG 6678 C CD . GLN B 216 ? 0.5337 0.6037 0.5596 -0.0240 -0.0149 -0.0768 216 GLN B CD 6679 O OE1 . GLN B 216 ? 0.5548 0.6358 0.5884 -0.0268 -0.0157 -0.0823 216 GLN B OE1 6680 N NE2 . GLN B 216 ? 0.5457 0.6074 0.5668 -0.0254 -0.0142 -0.0750 216 GLN B NE2 6681 N N . GLN B 217 ? 0.3722 0.4583 0.4020 -0.0097 -0.0164 -0.0756 217 GLN B N 6682 C CA . GLN B 217 ? 0.3773 0.4715 0.4086 -0.0042 -0.0192 -0.0792 217 GLN B CA 6683 C C . GLN B 217 ? 0.3522 0.4382 0.3760 0.0006 -0.0185 -0.0744 217 GLN B C 6684 O O . GLN B 217 ? 0.3420 0.4298 0.3622 0.0076 -0.0215 -0.0763 217 GLN B O 6685 C CB . GLN B 217 ? 0.4089 0.5155 0.4507 -0.0093 -0.0179 -0.0831 217 GLN B CB 6686 C CG . GLN B 217 ? 0.4535 0.5695 0.5031 -0.0143 -0.0185 -0.0890 217 GLN B CG 6687 C CD . GLN B 217 ? 0.4947 0.6153 0.5521 -0.0232 -0.0141 -0.0895 217 GLN B CD 6688 O OE1 . GLN B 217 ? 0.5220 0.6468 0.5825 -0.0239 -0.0124 -0.0891 217 GLN B OE1 6689 N NE2 . GLN B 217 ? 0.5148 0.6337 0.5743 -0.0301 -0.0121 -0.0902 217 GLN B NE2 6690 N N . LEU B 218 ? 0.3377 0.4143 0.3586 -0.0028 -0.0147 -0.0684 218 LEU B N 6691 C CA . LEU B 218 ? 0.3138 0.3823 0.3281 0.0002 -0.0133 -0.0638 218 LEU B CA 6692 C C . LEU B 218 ? 0.3123 0.3692 0.3160 0.0052 -0.0139 -0.0607 218 LEU B C 6693 O O . LEU B 218 ? 0.3100 0.3608 0.3064 0.0101 -0.0141 -0.0588 218 LEU B O 6694 C CB . LEU B 218 ? 0.3044 0.3696 0.3214 -0.0059 -0.0089 -0.0594 218 LEU B CB 6695 C CG . LEU B 218 ? 0.2924 0.3673 0.3184 -0.0108 -0.0076 -0.0619 218 LEU B CG 6696 C CD1 . LEU B 218 ? 0.2869 0.3573 0.3146 -0.0172 -0.0034 -0.0578 218 LEU B CD1 6697 C CD2 . LEU B 218 ? 0.3027 0.3829 0.3294 -0.0068 -0.0087 -0.0636 218 LEU B CD2 6698 N N . GLU B 219 ? 0.3138 0.3671 0.3159 0.0039 -0.0140 -0.0603 219 GLU B N 6699 C CA . GLU B 219 ? 0.3217 0.3634 0.3136 0.0079 -0.0139 -0.0571 219 GLU B CA 6700 C C . GLU B 219 ? 0.3229 0.3601 0.3054 0.0166 -0.0167 -0.0582 219 GLU B C 6701 O O . GLU B 219 ? 0.3238 0.3503 0.2975 0.0190 -0.0148 -0.0542 219 GLU B O 6702 C CB . GLU B 219 ? 0.3502 0.3899 0.3421 0.0058 -0.0140 -0.0573 219 GLU B CB 6703 C CG . GLU B 219 ? 0.3883 0.4161 0.3701 0.0092 -0.0130 -0.0537 219 GLU B CG 6704 C CD . GLU B 219 ? 0.4269 0.4514 0.4090 0.0058 -0.0119 -0.0524 219 GLU B CD 6705 O OE1 . GLU B 219 ? 0.4288 0.4598 0.4174 0.0021 -0.0129 -0.0554 219 GLU B OE1 6706 O OE2 . GLU B 219 ? 0.4681 0.4833 0.4435 0.0068 -0.0097 -0.0486 219 GLU B OE2 6707 N N . PRO B 220 ? 0.3192 0.3643 0.3030 0.0213 -0.0211 -0.0638 220 PRO B N 6708 C CA . PRO B 220 ? 0.3216 0.3615 0.2950 0.0305 -0.0241 -0.0650 220 PRO B CA 6709 C C . PRO B 220 ? 0.3201 0.3542 0.2878 0.0330 -0.0224 -0.0621 220 PRO B C 6710 O O . PRO B 220 ? 0.3219 0.3441 0.2772 0.0385 -0.0222 -0.0598 220 PRO B O 6711 C CB . PRO B 220 ? 0.3247 0.3779 0.3037 0.0341 -0.0292 -0.0723 220 PRO B CB 6712 C CG . PRO B 220 ? 0.3220 0.3842 0.3120 0.0269 -0.0288 -0.0747 220 PRO B CG 6713 C CD . PRO B 220 ? 0.3148 0.3734 0.3089 0.0186 -0.0236 -0.0696 220 PRO B CD 6714 N N . LEU B 221 ? 0.3163 0.3579 0.2924 0.0288 -0.0210 -0.0623 221 LEU B N 6715 C CA . LEU B 221 ? 0.3190 0.3556 0.2908 0.0300 -0.0192 -0.0596 221 LEU B CA 6716 C C . LEU B 221 ? 0.3163 0.3390 0.2808 0.0276 -0.0149 -0.0534 221 LEU B C 6717 O O . LEU B 221 ? 0.3335 0.3456 0.2871 0.0320 -0.0142 -0.0512 221 LEU B O 6718 C CB . LEU B 221 ? 0.3173 0.3644 0.3002 0.0248 -0.0180 -0.0606 221 LEU B CB 6719 C CG . LEU B 221 ? 0.3219 0.3808 0.3091 0.0291 -0.0215 -0.0662 221 LEU B CG 6720 C CD1 . LEU B 221 ? 0.3182 0.3883 0.3116 0.0302 -0.0252 -0.0722 221 LEU B CD1 6721 C CD2 . LEU B 221 ? 0.3138 0.3802 0.3099 0.0238 -0.0192 -0.0660 221 LEU B CD2 6722 N N . TYR B 222 ? 0.3042 0.3268 0.2741 0.0207 -0.0120 -0.0508 222 TYR B N 6723 C CA . TYR B 222 ? 0.2962 0.3074 0.2604 0.0182 -0.0079 -0.0455 222 TYR B CA 6724 C C . TYR B 222 ? 0.3083 0.3085 0.2606 0.0234 -0.0082 -0.0445 222 TYR B C 6725 O O . TYR B 222 ? 0.3142 0.3033 0.2573 0.0248 -0.0056 -0.0413 222 TYR B O 6726 C CB . TYR B 222 ? 0.2785 0.2922 0.2504 0.0108 -0.0052 -0.0434 222 TYR B CB 6727 C CG . TYR B 222 ? 0.2732 0.2768 0.2401 0.0085 -0.0012 -0.0386 222 TYR B CG 6728 C CD1 . TYR B 222 ? 0.2661 0.2663 0.2319 0.0066 0.0013 -0.0360 222 TYR B CD1 6729 C CD2 . TYR B 222 ? 0.2690 0.2666 0.2316 0.0086 0.0000 -0.0371 222 TYR B CD2 6730 C CE1 . TYR B 222 ? 0.2680 0.2601 0.2298 0.0043 0.0051 -0.0324 222 TYR B CE1 6731 C CE2 . TYR B 222 ? 0.2727 0.2622 0.2312 0.0064 0.0038 -0.0332 222 TYR B CE2 6732 C CZ . TYR B 222 ? 0.2693 0.2565 0.2278 0.0041 0.0064 -0.0310 222 TYR B CZ 6733 O OH . TYR B 222 ? 0.2768 0.2573 0.2321 0.0015 0.0104 -0.0278 222 TYR B OH 6734 N N . LEU B 223 ? 0.3213 0.3237 0.2730 0.0260 -0.0110 -0.0472 223 LEU B N 6735 C CA . LEU B 223 ? 0.3407 0.3323 0.2806 0.0312 -0.0113 -0.0463 223 LEU B CA 6736 C C . LEU B 223 ? 0.3525 0.3348 0.2795 0.0387 -0.0122 -0.0463 223 LEU B C 6737 O O . LEU B 223 ? 0.3704 0.3393 0.2860 0.0406 -0.0095 -0.0432 223 LEU B O 6738 C CB . LEU B 223 ? 0.3480 0.3447 0.2896 0.0336 -0.0151 -0.0501 223 LEU B CB 6739 C CG . LEU B 223 ? 0.3493 0.3507 0.2995 0.0271 -0.0138 -0.0496 223 LEU B CG 6740 C CD1 . LEU B 223 ? 0.3578 0.3631 0.3082 0.0301 -0.0179 -0.0538 223 LEU B CD1 6741 C CD2 . LEU B 223 ? 0.3527 0.3445 0.2989 0.0237 -0.0092 -0.0445 223 LEU B CD2 6742 N N . ASN B 224 ? 0.3531 0.3422 0.2817 0.0428 -0.0158 -0.0500 224 ASN B N 6743 C CA . ASN B 224 ? 0.3610 0.3411 0.2768 0.0505 -0.0169 -0.0502 224 ASN B CA 6744 C C . ASN B 224 ? 0.3547 0.3252 0.2651 0.0481 -0.0125 -0.0459 224 ASN B C 6745 O O . ASN B 224 ? 0.3622 0.3181 0.2580 0.0524 -0.0109 -0.0438 224 ASN B O 6746 C CB . ASN B 224 ? 0.3784 0.3692 0.2972 0.0563 -0.0223 -0.0559 224 ASN B CB 6747 C CG . ASN B 224 ? 0.3971 0.3904 0.3123 0.0630 -0.0272 -0.0603 224 ASN B CG 6748 O OD1 . ASN B 224 ? 0.4177 0.3996 0.3183 0.0710 -0.0286 -0.0604 224 ASN B OD1 6749 N ND2 . ASN B 224 ? 0.3729 0.3802 0.3008 0.0598 -0.0296 -0.0641 224 ASN B ND2 6750 N N . LEU B 225 ? 0.3325 0.3104 0.2539 0.0411 -0.0104 -0.0447 225 LEU B N 6751 C CA . LEU B 225 ? 0.3346 0.3045 0.2524 0.0379 -0.0062 -0.0408 225 LEU B CA 6752 C C . LEU B 225 ? 0.3346 0.2923 0.2456 0.0347 -0.0016 -0.0366 225 LEU B C 6753 O O . LEU B 225 ? 0.3470 0.2918 0.2468 0.0359 0.0013 -0.0340 225 LEU B O 6754 C CB . LEU B 225 ? 0.3197 0.3004 0.2513 0.0308 -0.0050 -0.0403 225 LEU B CB 6755 C CG . LEU B 225 ? 0.3161 0.2894 0.2447 0.0272 -0.0010 -0.0367 225 LEU B CG 6756 C CD1 . LEU B 225 ? 0.3227 0.2896 0.2412 0.0335 -0.0023 -0.0376 225 LEU B CD1 6757 C CD2 . LEU B 225 ? 0.2998 0.2833 0.2418 0.0201 0.0003 -0.0361 225 LEU B CD2 6758 N N . HIS B 226 ? 0.3271 0.2894 0.2451 0.0306 -0.0008 -0.0361 226 HIS B N 6759 C CA . HIS B 226 ? 0.3275 0.2811 0.2412 0.0274 0.0033 -0.0327 226 HIS B CA 6760 C C . HIS B 226 ? 0.3406 0.2793 0.2378 0.0335 0.0041 -0.0319 226 HIS B C 6761 O O . HIS B 226 ? 0.3501 0.2773 0.2392 0.0317 0.0087 -0.0287 226 HIS B O 6762 C CB . HIS B 226 ? 0.3206 0.2820 0.2434 0.0241 0.0026 -0.0333 226 HIS B CB 6763 C CG . HIS B 226 ? 0.3250 0.2792 0.2445 0.0210 0.0068 -0.0302 226 HIS B CG 6764 N ND1 . HIS B 226 ? 0.3322 0.2762 0.2404 0.0253 0.0074 -0.0296 226 HIS B ND1 6765 C CD2 . HIS B 226 ? 0.3152 0.2712 0.2412 0.0145 0.0105 -0.0277 226 HIS B CD2 6766 C CE1 . HIS B 226 ? 0.3331 0.2733 0.2413 0.0211 0.0117 -0.0269 226 HIS B CE1 6767 N NE2 . HIS B 226 ? 0.3187 0.2665 0.2379 0.0147 0.0134 -0.0258 226 HIS B NE2 6768 N N . ALA B 227 ? 0.3524 0.2910 0.2441 0.0407 -0.0001 -0.0349 227 ALA B N 6769 C CA . ALA B 227 ? 0.3743 0.2982 0.2490 0.0475 0.0001 -0.0345 227 ALA B CA 6770 C C . ALA B 227 ? 0.3931 0.3046 0.2545 0.0515 0.0015 -0.0334 227 ALA B C 6771 O O . ALA B 227 ? 0.4199 0.3154 0.2672 0.0527 0.0054 -0.0307 227 ALA B O 6772 C CB . ALA B 227 ? 0.3739 0.3021 0.2467 0.0548 -0.0056 -0.0386 227 ALA B CB 6773 N N . PHE B 228 ? 0.3991 0.3174 0.2646 0.0533 -0.0013 -0.0355 228 PHE B N 6774 C CA . PHE B 228 ? 0.4114 0.3187 0.2650 0.0568 -0.0002 -0.0346 228 PHE B CA 6775 C C . PHE B 228 ? 0.4122 0.3106 0.2640 0.0493 0.0062 -0.0302 228 PHE B C 6776 O O . PHE B 228 ? 0.4172 0.2990 0.2535 0.0513 0.0095 -0.0282 228 PHE B O 6777 C CB . PHE B 228 ? 0.4136 0.3327 0.2747 0.0592 -0.0045 -0.0378 228 PHE B CB 6778 C CG . PHE B 228 ? 0.4348 0.3433 0.2844 0.0629 -0.0037 -0.0370 228 PHE B CG 6779 C CD1 . PHE B 228 ? 0.4563 0.3527 0.2885 0.0729 -0.0060 -0.0385 228 PHE B CD1 6780 C CD2 . PHE B 228 ? 0.4349 0.3451 0.2904 0.0566 -0.0007 -0.0350 228 PHE B CD2 6781 C CE1 . PHE B 228 ? 0.4723 0.3578 0.2926 0.0766 -0.0052 -0.0378 228 PHE B CE1 6782 C CE2 . PHE B 228 ? 0.4430 0.3429 0.2874 0.0599 0.0000 -0.0344 228 PHE B CE2 6783 C CZ . PHE B 228 ? 0.4666 0.3538 0.2931 0.0699 -0.0021 -0.0357 228 PHE B CZ 6784 N N . VAL B 229 ? 0.3953 0.3046 0.2624 0.0408 0.0082 -0.0290 229 VAL B N 6785 C CA . VAL B 229 ? 0.3860 0.2895 0.2535 0.0334 0.0140 -0.0256 229 VAL B CA 6786 C C . VAL B 229 ? 0.3945 0.2866 0.2537 0.0314 0.0188 -0.0231 229 VAL B C 6787 O O . VAL B 229 ? 0.4134 0.2922 0.2623 0.0296 0.0236 -0.0208 229 VAL B O 6788 C CB . VAL B 229 ? 0.3676 0.2860 0.2532 0.0255 0.0144 -0.0253 229 VAL B CB 6789 C CG1 . VAL B 229 ? 0.3703 0.2837 0.2569 0.0180 0.0202 -0.0222 229 VAL B CG1 6790 C CG2 . VAL B 229 ? 0.3617 0.2888 0.2535 0.0270 0.0109 -0.0273 229 VAL B CG2 6791 N N . ARG B 230 ? 0.3850 0.2819 0.2482 0.0319 0.0176 -0.0237 230 ARG B N 6792 C CA . ARG B 230 ? 0.3903 0.2765 0.2451 0.0308 0.0220 -0.0215 230 ARG B CA 6793 C C . ARG B 230 ? 0.4123 0.2789 0.2461 0.0365 0.0242 -0.0206 230 ARG B C 6794 O O . ARG B 230 ? 0.4322 0.2869 0.2579 0.0330 0.0303 -0.0181 230 ARG B O 6795 C CB . ARG B 230 ? 0.3738 0.2673 0.2341 0.0321 0.0194 -0.0228 230 ARG B CB 6796 C CG . ARG B 230 ? 0.3794 0.2641 0.2333 0.0303 0.0242 -0.0206 230 ARG B CG 6797 C CD . ARG B 230 ? 0.3647 0.2572 0.2248 0.0315 0.0214 -0.0219 230 ARG B CD 6798 N NE . ARG B 230 ? 0.3622 0.2582 0.2203 0.0390 0.0149 -0.0252 230 ARG B NE 6799 C CZ . ARG B 230 ? 0.3567 0.2625 0.2224 0.0402 0.0107 -0.0275 230 ARG B CZ 6800 N NH1 . ARG B 230 ? 0.3475 0.2598 0.2227 0.0349 0.0124 -0.0265 230 ARG B NH1 6801 N NH2 . ARG B 230 ? 0.3607 0.2700 0.2245 0.0470 0.0048 -0.0311 230 ARG B NH2 6802 N N . ARG B 231 ? 0.4306 0.2935 0.2554 0.0452 0.0195 -0.0229 231 ARG B N 6803 C CA . ARG B 231 ? 0.4700 0.3128 0.2729 0.0518 0.0211 -0.0221 231 ARG B CA 6804 C C . ARG B 231 ? 0.4801 0.3108 0.2751 0.0477 0.0265 -0.0197 231 ARG B C 6805 O O . ARG B 231 ? 0.5086 0.3216 0.2882 0.0473 0.0319 -0.0175 231 ARG B O 6806 C CB . ARG B 231 ? 0.4862 0.3294 0.2820 0.0626 0.0142 -0.0256 231 ARG B CB 6807 C CG . ARG B 231 ? 0.5213 0.3431 0.2929 0.0710 0.0150 -0.0252 231 ARG B CG 6808 C CD . ARG B 231 ? 0.5340 0.3402 0.2910 0.0728 0.0188 -0.0234 231 ARG B CD 6809 N NE . ARG B 231 ? 0.5437 0.3581 0.3047 0.0776 0.0140 -0.0259 231 ARG B NE 6810 C CZ . ARG B 231 ? 0.5580 0.3606 0.3060 0.0819 0.0152 -0.0252 231 ARG B CZ 6811 N NH1 . ARG B 231 ? 0.5807 0.3622 0.3104 0.0818 0.0216 -0.0221 231 ARG B NH1 6812 N NH2 . ARG B 231 ? 0.5472 0.3589 0.3003 0.0860 0.0103 -0.0279 231 ARG B NH2 6813 N N . ALA B 232 ? 0.4802 0.3199 0.2851 0.0445 0.0253 -0.0202 232 ALA B N 6814 C CA . ALA B 232 ? 0.4874 0.3169 0.2861 0.0402 0.0300 -0.0182 232 ALA B CA 6815 C C . ALA B 232 ? 0.4936 0.3199 0.2956 0.0304 0.0373 -0.0156 232 ALA B C 6816 O O . ALA B 232 ? 0.5081 0.3182 0.2972 0.0278 0.0431 -0.0137 232 ALA B O 6817 C CB . ALA B 232 ? 0.4833 0.3251 0.2938 0.0385 0.0268 -0.0195 232 ALA B CB 6818 N N . LEU B 233 ? 0.4702 0.3116 0.2890 0.0250 0.0371 -0.0156 233 LEU B N 6819 C CA . LEU B 233 ? 0.4698 0.3112 0.2936 0.0164 0.0433 -0.0137 233 LEU B CA 6820 C C . LEU B 233 ? 0.4943 0.3200 0.3031 0.0176 0.0482 -0.0123 233 LEU B C 6821 O O . LEU B 233 ? 0.5107 0.3277 0.3149 0.0115 0.0550 -0.0107 233 LEU B O 6822 C CB . LEU B 233 ? 0.4449 0.3057 0.2888 0.0119 0.0413 -0.0144 233 LEU B CB 6823 C CG . LEU B 233 ? 0.4277 0.3032 0.2866 0.0090 0.0379 -0.0155 233 LEU B CG 6824 C CD1 . LEU B 233 ? 0.4110 0.3031 0.2869 0.0055 0.0360 -0.0161 233 LEU B CD1 6825 C CD2 . LEU B 233 ? 0.4242 0.2961 0.2836 0.0027 0.0422 -0.0144 233 LEU B CD2 6826 N N . HIS B 234 ? 0.5122 0.3344 0.3133 0.0254 0.0448 -0.0131 234 HIS B N 6827 C CA . HIS B 234 ? 0.5380 0.3447 0.3237 0.0276 0.0490 -0.0118 234 HIS B CA 6828 C C . HIS B 234 ? 0.5660 0.3505 0.3312 0.0285 0.0543 -0.0103 234 HIS B C 6829 O O . HIS B 234 ? 0.5740 0.3471 0.3313 0.0236 0.0617 -0.0085 234 HIS B O 6830 C CB . HIS B 234 ? 0.5418 0.3487 0.3222 0.0370 0.0433 -0.0134 234 HIS B CB 6831 C CG . HIS B 234 ? 0.5625 0.3548 0.3281 0.0396 0.0473 -0.0121 234 HIS B CG 6832 N ND1 . HIS B 234 ? 0.5822 0.3537 0.3250 0.0466 0.0486 -0.0116 234 HIS B ND1 6833 C CD2 . HIS B 234 ? 0.5555 0.3504 0.3252 0.0363 0.0504 -0.0112 234 HIS B CD2 6834 C CE1 . HIS B 234 ? 0.5962 0.3580 0.3295 0.0474 0.0525 -0.0104 234 HIS B CE1 6835 N NE2 . HIS B 234 ? 0.5839 0.3599 0.3336 0.0411 0.0536 -0.0101 234 HIS B NE2 6836 N N . ARG B 235 ? 0.5734 0.3519 0.3297 0.0346 0.0506 -0.0112 235 ARG B N 6837 C CA . ARG B 235 ? 0.6249 0.3815 0.3607 0.0361 0.0549 -0.0100 235 ARG B CA 6838 C C . ARG B 235 ? 0.6282 0.3821 0.3676 0.0254 0.0618 -0.0085 235 ARG B C 6839 O O . ARG B 235 ? 0.6302 0.3652 0.3538 0.0228 0.0687 -0.0069 235 ARG B O 6840 C CB . ARG B 235 ? 0.6398 0.3941 0.3687 0.0447 0.0487 -0.0117 235 ARG B CB 6841 C CG . ARG B 235 ? 0.6876 0.4351 0.4030 0.0569 0.0435 -0.0133 235 ARG B CG 6842 C CD . ARG B 235 ? 0.7246 0.4809 0.4429 0.0648 0.0354 -0.0162 235 ARG B CD 6843 N NE . ARG B 235 ? 0.7708 0.5218 0.4768 0.0769 0.0300 -0.0184 235 ARG B NE 6844 C CZ . ARG B 235 ? 0.7804 0.5421 0.4903 0.0851 0.0220 -0.0219 235 ARG B CZ 6845 N NH1 . ARG B 235 ? 0.7695 0.5472 0.4950 0.0824 0.0188 -0.0234 235 ARG B NH1 6846 N NH2 . ARG B 235 ? 0.8081 0.5648 0.5062 0.0961 0.0172 -0.0243 235 ARG B NH2 6847 N N . ARG B 236 ? 0.6117 0.3846 0.3720 0.0190 0.0602 -0.0092 236 ARG B N 6848 C CA . ARG B 236 ? 0.6269 0.4002 0.3929 0.0090 0.0657 -0.0084 236 ARG B CA 6849 C C . ARG B 236 ? 0.6261 0.4001 0.3968 0.0005 0.0728 -0.0074 236 ARG B C 6850 O O . ARG B 236 ? 0.6563 0.4180 0.4187 -0.0055 0.0801 -0.0065 236 ARG B O 6851 C CB . ARG B 236 ? 0.6216 0.4146 0.4074 0.0061 0.0610 -0.0097 236 ARG B CB 6852 C CG . ARG B 236 ? 0.6385 0.4331 0.4309 -0.0034 0.0656 -0.0093 236 ARG B CG 6853 C CD . ARG B 236 ? 0.6930 0.4666 0.4662 -0.0031 0.0695 -0.0086 236 ARG B CD 6854 N NE . ARG B 236 ? 0.7168 0.4952 0.4977 -0.0090 0.0700 -0.0091 236 ARG B NE 6855 C CZ . ARG B 236 ? 0.6911 0.4714 0.4719 -0.0047 0.0651 -0.0098 236 ARG B CZ 6856 N NH1 . ARG B 236 ? 0.6935 0.4719 0.4672 0.0054 0.0593 -0.0104 236 ARG B NH1 6857 N NH2 . ARG B 236 ? 0.7157 0.5001 0.5035 -0.0106 0.0660 -0.0102 236 ARG B NH2 6858 N N . TYR B 237 ? 0.5982 0.3863 0.3817 0.0002 0.0709 -0.0078 237 TYR B N 6859 C CA . TYR B 237 ? 0.5941 0.3869 0.3854 -0.0077 0.0768 -0.0073 237 TYR B CA 6860 C C . TYR B 237 ? 0.6091 0.3906 0.3882 -0.0052 0.0808 -0.0062 237 TYR B C 6861 O O . TYR B 237 ? 0.6197 0.4015 0.4016 -0.0118 0.0871 -0.0058 237 TYR B O 6862 C CB . TYR B 237 ? 0.5582 0.3749 0.3730 -0.0111 0.0730 -0.0084 237 TYR B CB 6863 C CG . TYR B 237 ? 0.5454 0.3725 0.3721 -0.0149 0.0705 -0.0093 237 TYR B CG 6864 C CD1 . TYR B 237 ? 0.5457 0.3725 0.3761 -0.0235 0.0759 -0.0094 237 TYR B CD1 6865 C CD2 . TYR B 237 ? 0.5329 0.3703 0.3671 -0.0101 0.0630 -0.0103 237 TYR B CD2 6866 C CE1 . TYR B 237 ? 0.5366 0.3725 0.3772 -0.0267 0.0735 -0.0103 237 TYR B CE1 6867 C CE2 . TYR B 237 ? 0.5186 0.3651 0.3630 -0.0134 0.0610 -0.0110 237 TYR B CE2 6868 C CZ . TYR B 237 ? 0.5212 0.3666 0.3685 -0.0215 0.0661 -0.0109 237 TYR B CZ 6869 O OH . TYR B 237 ? 0.5070 0.3606 0.3637 -0.0245 0.0640 -0.0118 237 TYR B OH 6870 N N . GLY B 238 ? 0.6139 0.3858 0.3796 0.0044 0.0769 -0.0061 238 GLY B N 6871 C CA . GLY B 238 ? 0.6434 0.4024 0.3951 0.0077 0.0804 -0.0051 238 GLY B CA 6872 C C . GLY B 238 ? 0.6459 0.4181 0.4080 0.0104 0.0766 -0.0057 238 GLY B C 6873 O O . GLY B 238 ? 0.6103 0.4025 0.3922 0.0079 0.0725 -0.0068 238 GLY B O 6874 N N . ASP B 239 ? 0.6694 0.4291 0.4171 0.0157 0.0782 -0.0049 239 ASP B N 6875 C CA . ASP B 239 ? 0.6809 0.4494 0.4344 0.0196 0.0746 -0.0055 239 ASP B CA 6876 C C . ASP B 239 ? 0.6582 0.4406 0.4280 0.0115 0.0783 -0.0053 239 ASP B C 6877 O O . ASP B 239 ? 0.6496 0.4438 0.4292 0.0135 0.0744 -0.0060 239 ASP B O 6878 C CB . ASP B 239 ? 0.7414 0.4903 0.4729 0.0271 0.0763 -0.0047 239 ASP B CB 6879 C CG . ASP B 239 ? 0.7806 0.5369 0.5147 0.0349 0.0693 -0.0060 239 ASP B CG 6880 O OD1 . ASP B 239 ? 0.7964 0.5662 0.5413 0.0385 0.0613 -0.0080 239 ASP B OD1 6881 O OD2 . ASP B 239 ? 0.8166 0.5649 0.5418 0.0373 0.0720 -0.0053 239 ASP B OD2 6882 N N . ARG B 240 ? 0.6538 0.4343 0.4259 0.0026 0.0858 -0.0046 240 ARG B N 6883 C CA . ARG B 240 ? 0.6591 0.4533 0.4466 -0.0050 0.0897 -0.0048 240 ARG B CA 6884 C C . ARG B 240 ? 0.6197 0.4367 0.4299 -0.0076 0.0839 -0.0063 240 ARG B C 6885 O O . ARG B 240 ? 0.5895 0.4198 0.4121 -0.0090 0.0828 -0.0068 240 ARG B O 6886 C CB . ARG B 240 ? 0.6976 0.4839 0.4812 -0.0139 0.0995 -0.0043 240 ARG B CB 6887 C CG . ARG B 240 ? 0.7488 0.5495 0.5480 -0.0219 0.1039 -0.0052 240 ARG B CG 6888 C CD . ARG B 240 ? 0.8060 0.5963 0.5979 -0.0299 0.1146 -0.0050 240 ARG B CD 6889 N NE . ARG B 240 ? 0.8166 0.6241 0.6269 -0.0386 0.1181 -0.0067 240 ARG B NE 6890 C CZ . ARG B 240 ? 0.8256 0.6425 0.6436 -0.0403 0.1207 -0.0073 240 ARG B CZ 6891 N NH1 . ARG B 240 ? 0.8217 0.6319 0.6307 -0.0342 0.1203 -0.0061 240 ARG B NH1 6892 N NH2 . ARG B 240 ? 0.8305 0.6636 0.6652 -0.0478 0.1234 -0.0094 240 ARG B NH2 6893 N N . TYR B 241 ? 0.6006 0.4210 0.4147 -0.0078 0.0802 -0.0069 241 TYR B N 6894 C CA . TYR B 241 ? 0.5719 0.4120 0.4061 -0.0111 0.0757 -0.0081 241 TYR B CA 6895 C C . TYR B 241 ? 0.5267 0.3752 0.3662 -0.0046 0.0668 -0.0091 241 TYR B C 6896 O O . TYR B 241 ? 0.5199 0.3844 0.3753 -0.0067 0.0629 -0.0101 241 TYR B O 6897 C CB . TYR B 241 ? 0.5886 0.4292 0.4265 -0.0176 0.0785 -0.0084 241 TYR B CB 6898 C CG . TYR B 241 ? 0.6274 0.4640 0.4644 -0.0257 0.0873 -0.0082 241 TYR B CG 6899 C CD1 . TYR B 241 ? 0.6356 0.4844 0.4848 -0.0304 0.0899 -0.0090 241 TYR B CD1 6900 C CD2 . TYR B 241 ? 0.6725 0.4931 0.4961 -0.0288 0.0930 -0.0077 241 TYR B CD2 6901 C CE1 . TYR B 241 ? 0.6795 0.5261 0.5287 -0.0380 0.0982 -0.0094 241 TYR B CE1 6902 C CE2 . TYR B 241 ? 0.7131 0.5303 0.5361 -0.0371 0.1016 -0.0080 241 TYR B CE2 6903 C CZ . TYR B 241 ? 0.7160 0.5471 0.5525 -0.0417 0.1041 -0.0091 241 TYR B CZ 6904 O OH . TYR B 241 ? 0.7404 0.5697 0.5773 -0.0501 0.1127 -0.0100 241 TYR B OH 6905 N N . ILE B 242 ? 0.5159 0.3534 0.3417 0.0033 0.0636 -0.0091 242 ILE B N 6906 C CA . ILE B 242 ? 0.4917 0.3373 0.3219 0.0097 0.0553 -0.0106 242 ILE B CA 6907 C C . ILE B 242 ? 0.4993 0.3399 0.3209 0.0170 0.0527 -0.0110 242 ILE B C 6908 O O . ILE B 242 ? 0.5199 0.3440 0.3244 0.0207 0.0558 -0.0101 242 ILE B O 6909 C CB . ILE B 242 ? 0.4903 0.3300 0.3135 0.0135 0.0523 -0.0112 242 ILE B CB 6910 C CG1 . ILE B 242 ? 0.4811 0.3253 0.3122 0.0066 0.0546 -0.0109 242 ILE B CG1 6911 C CG2 . ILE B 242 ? 0.4756 0.3245 0.3036 0.0203 0.0439 -0.0134 242 ILE B CG2 6912 C CD1 . ILE B 242 ? 0.4586 0.3226 0.3101 0.0026 0.0510 -0.0120 242 ILE B CD1 6913 N N . ASN B 243 ? 0.4773 0.3314 0.3103 0.0190 0.0470 -0.0125 243 ASN B N 6914 C CA . ASN B 243 ? 0.4768 0.3286 0.3037 0.0261 0.0432 -0.0136 243 ASN B CA 6915 C C . ASN B 243 ? 0.4673 0.3254 0.2966 0.0321 0.0352 -0.0162 243 ASN B C 6916 O O . ASN B 243 ? 0.4448 0.3181 0.2892 0.0297 0.0314 -0.0176 243 ASN B O 6917 C CB . ASN B 243 ? 0.4587 0.3211 0.2969 0.0230 0.0433 -0.0136 243 ASN B CB 6918 C CG . ASN B 243 ? 0.4617 0.3219 0.2941 0.0297 0.0396 -0.0147 243 ASN B CG 6919 O OD1 . ASN B 243 ? 0.4625 0.3178 0.2863 0.0369 0.0350 -0.0163 243 ASN B OD1 6920 N ND2 . ASN B 243 ? 0.4531 0.3175 0.2904 0.0275 0.0413 -0.0142 243 ASN B ND2 6921 N N . LEU B 244 ? 0.4783 0.3247 0.2922 0.0401 0.0330 -0.0171 244 LEU B N 6922 C CA . LEU B 244 ? 0.4694 0.3212 0.2840 0.0467 0.0256 -0.0201 244 LEU B CA 6923 C C . LEU B 244 ? 0.4616 0.3272 0.2869 0.0490 0.0195 -0.0229 244 LEU B C 6924 O O . LEU B 244 ? 0.4574 0.3310 0.2868 0.0531 0.0134 -0.0261 244 LEU B O 6925 C CB . LEU B 244 ? 0.4887 0.3236 0.2826 0.0556 0.0247 -0.0206 244 LEU B CB 6926 C CG . LEU B 244 ? 0.4951 0.3160 0.2771 0.0549 0.0291 -0.0187 244 LEU B CG 6927 C CD1 . LEU B 244 ? 0.5200 0.3201 0.2780 0.0636 0.0299 -0.0184 244 LEU B CD1 6928 C CD2 . LEU B 244 ? 0.4913 0.3216 0.2817 0.0547 0.0253 -0.0203 244 LEU B CD2 6929 N N . ARG B 245 ? 0.4653 0.3334 0.2948 0.0461 0.0213 -0.0221 245 ARG B N 6930 C CA . ARG B 245 ? 0.4599 0.3404 0.2998 0.0470 0.0162 -0.0245 245 ARG B CA 6931 C C . ARG B 245 ? 0.4314 0.3232 0.2866 0.0387 0.0185 -0.0233 245 ARG B C 6932 O O . ARG B 245 ? 0.4176 0.3173 0.2800 0.0384 0.0158 -0.0246 245 ARG B O 6933 C CB . ARG B 245 ? 0.4960 0.3680 0.3241 0.0537 0.0147 -0.0254 245 ARG B CB 6934 C CG . ARG B 245 ? 0.5434 0.4064 0.3570 0.0634 0.0106 -0.0276 245 ARG B CG 6935 C CD . ARG B 245 ? 0.5979 0.4533 0.4003 0.0705 0.0083 -0.0289 245 ARG B CD 6936 N NE . ARG B 245 ? 0.6438 0.4828 0.4320 0.0706 0.0149 -0.0254 245 ARG B NE 6937 C CZ . ARG B 245 ? 0.6975 0.5272 0.4739 0.0763 0.0144 -0.0257 245 ARG B CZ 6938 N NH1 . ARG B 245 ? 0.7177 0.5530 0.4948 0.0825 0.0074 -0.0295 245 ARG B NH1 6939 N NH2 . ARG B 245 ? 0.7206 0.5355 0.4845 0.0756 0.0212 -0.0224 245 ARG B NH2 6940 N N . GLY B 246 ? 0.4065 0.2986 0.2661 0.0323 0.0235 -0.0209 246 GLY B N 6941 C CA . GLY B 246 ? 0.3918 0.2945 0.2655 0.0250 0.0256 -0.0199 246 GLY B CA 6942 C C . GLY B 246 ? 0.3749 0.2873 0.2604 0.0200 0.0251 -0.0200 246 GLY B C 6943 O O . GLY B 246 ? 0.3738 0.2849 0.2568 0.0220 0.0232 -0.0209 246 GLY B O 6944 N N . PRO B 247 ? 0.3586 0.2804 0.2562 0.0140 0.0266 -0.0194 247 PRO B N 6945 C CA . PRO B 247 ? 0.3434 0.2738 0.2515 0.0093 0.0264 -0.0194 247 PRO B CA 6946 C C . PRO B 247 ? 0.3395 0.2629 0.2429 0.0066 0.0309 -0.0177 247 PRO B C 6947 O O . PRO B 247 ? 0.3487 0.2631 0.2442 0.0058 0.0358 -0.0161 247 PRO B O 6948 C CB . PRO B 247 ? 0.3332 0.2727 0.2525 0.0044 0.0275 -0.0189 247 PRO B CB 6949 C CG . PRO B 247 ? 0.3429 0.2803 0.2587 0.0071 0.0269 -0.0191 247 PRO B CG 6950 C CD . PRO B 247 ? 0.3540 0.2786 0.2555 0.0117 0.0286 -0.0185 247 PRO B CD 6951 N N . ILE B 248 ? 0.3216 0.2493 0.2298 0.0050 0.0295 -0.0182 248 ILE B N 6952 C CA . ILE B 248 ? 0.3235 0.2454 0.2282 0.0020 0.0334 -0.0168 248 ILE B CA 6953 C C . ILE B 248 ? 0.3135 0.2411 0.2272 -0.0049 0.0375 -0.0157 248 ILE B C 6954 O O . ILE B 248 ? 0.3097 0.2487 0.2352 -0.0074 0.0355 -0.0163 248 ILE B O 6955 C CB . ILE B 248 ? 0.3121 0.2376 0.2195 0.0030 0.0301 -0.0180 248 ILE B CB 6956 C CG1 . ILE B 248 ? 0.3199 0.2416 0.2192 0.0105 0.0256 -0.0197 248 ILE B CG1 6957 C CG2 . ILE B 248 ? 0.3132 0.2326 0.2171 -0.0003 0.0339 -0.0167 248 ILE B CG2 6958 C CD1 . ILE B 248 ? 0.3164 0.2428 0.2185 0.0125 0.0218 -0.0214 248 ILE B CD1 6959 N N . PRO B 249 ? 0.3178 0.2376 0.2259 -0.0081 0.0432 -0.0144 249 PRO B N 6960 C CA . PRO B 249 ? 0.3052 0.2321 0.2229 -0.0148 0.0467 -0.0141 249 PRO B CA 6961 C C . PRO B 249 ? 0.2915 0.2276 0.2193 -0.0175 0.0441 -0.0149 249 PRO B C 6962 O O . PRO B 249 ? 0.2873 0.2196 0.2113 -0.0162 0.0428 -0.0150 249 PRO B O 6963 C CB . PRO B 249 ? 0.3188 0.2344 0.2272 -0.0176 0.0530 -0.0132 249 PRO B CB 6964 C CG . PRO B 249 ? 0.3372 0.2403 0.2314 -0.0123 0.0537 -0.0125 249 PRO B CG 6965 C CD . PRO B 249 ? 0.3366 0.2410 0.2293 -0.0060 0.0471 -0.0134 249 PRO B CD 6966 N N . ALA B 250 ? 0.2832 0.2308 0.2230 -0.0207 0.0435 -0.0153 250 ALA B N 6967 C CA . ALA B 250 ? 0.2730 0.2301 0.2226 -0.0223 0.0402 -0.0161 250 ALA B CA 6968 C C . ALA B 250 ? 0.2750 0.2313 0.2258 -0.0259 0.0419 -0.0161 250 ALA B C 6969 O O . ALA B 250 ? 0.2754 0.2381 0.2327 -0.0267 0.0392 -0.0167 250 ALA B O 6970 C CB . ALA B 250 ? 0.2604 0.2280 0.2204 -0.0242 0.0392 -0.0166 250 ALA B CB 6971 N N . HIS B 251 ? 0.2874 0.2356 0.2316 -0.0283 0.0467 -0.0156 251 HIS B N 6972 C CA . HIS B 251 ? 0.2940 0.2413 0.2393 -0.0327 0.0490 -0.0159 251 HIS B CA 6973 C C . HIS B 251 ? 0.3045 0.2400 0.2386 -0.0307 0.0494 -0.0154 251 HIS B C 6974 O O . HIS B 251 ? 0.3104 0.2429 0.2434 -0.0342 0.0516 -0.0156 251 HIS B O 6975 C CB . HIS B 251 ? 0.2945 0.2415 0.2412 -0.0380 0.0547 -0.0163 251 HIS B CB 6976 C CG . HIS B 251 ? 0.3126 0.2474 0.2474 -0.0376 0.0594 -0.0154 251 HIS B CG 6977 N ND1 . HIS B 251 ? 0.3133 0.2434 0.2416 -0.0327 0.0583 -0.0145 251 HIS B ND1 6978 C CD2 . HIS B 251 ? 0.3209 0.2468 0.2488 -0.0417 0.0654 -0.0154 251 HIS B CD2 6979 C CE1 . HIS B 251 ? 0.3303 0.2486 0.2476 -0.0333 0.0634 -0.0138 251 HIS B CE1 6980 N NE2 . HIS B 251 ? 0.3394 0.2547 0.2561 -0.0390 0.0680 -0.0143 251 HIS B NE2 6981 N N . LEU B 252 ? 0.3053 0.2342 0.2307 -0.0249 0.0470 -0.0149 252 LEU B N 6982 C CA . LEU B 252 ? 0.3194 0.2349 0.2313 -0.0219 0.0477 -0.0145 252 LEU B CA 6983 C C . LEU B 252 ? 0.3170 0.2347 0.2291 -0.0177 0.0426 -0.0152 252 LEU B C 6984 O O . LEU B 252 ? 0.3337 0.2408 0.2344 -0.0141 0.0424 -0.0150 252 LEU B O 6985 C CB . LEU B 252 ? 0.3284 0.2328 0.2277 -0.0173 0.0489 -0.0138 252 LEU B CB 6986 C CG . LEU B 252 ? 0.3323 0.2311 0.2278 -0.0210 0.0550 -0.0130 252 LEU B CG 6987 C CD1 . LEU B 252 ? 0.3445 0.2311 0.2260 -0.0155 0.0557 -0.0122 252 LEU B CD1 6988 C CD2 . LEU B 252 ? 0.3362 0.2284 0.2284 -0.0271 0.0607 -0.0128 252 LEU B CD2 6989 N N . LEU B 253 ? 0.3055 0.2364 0.2300 -0.0181 0.0388 -0.0160 253 LEU B N 6990 C CA . LEU B 253 ? 0.2971 0.2323 0.2232 -0.0138 0.0337 -0.0171 253 LEU B CA 6991 C C . LEU B 253 ? 0.2964 0.2365 0.2284 -0.0162 0.0327 -0.0175 253 LEU B C 6992 O O . LEU B 253 ? 0.2908 0.2370 0.2266 -0.0135 0.0288 -0.0186 253 LEU B O 6993 C CB . LEU B 253 ? 0.2911 0.2361 0.2247 -0.0116 0.0299 -0.0181 253 LEU B CB 6994 C CG . LEU B 253 ? 0.2994 0.2389 0.2257 -0.0075 0.0297 -0.0181 253 LEU B CG 6995 C CD1 . LEU B 253 ? 0.2911 0.2402 0.2260 -0.0075 0.0275 -0.0189 253 LEU B CD1 6996 C CD2 . LEU B 253 ? 0.3020 0.2344 0.2177 -0.0006 0.0270 -0.0191 253 LEU B CD2 6997 N N . GLY B 254 ? 0.2966 0.2343 0.2292 -0.0214 0.0363 -0.0169 254 GLY B N 6998 C CA . GLY B 254 ? 0.3001 0.2392 0.2353 -0.0235 0.0359 -0.0172 254 GLY B CA 6999 C C . GLY B 254 ? 0.2891 0.2407 0.2377 -0.0275 0.0348 -0.0177 254 GLY B C 7000 O O . GLY B 254 ? 0.2972 0.2507 0.2486 -0.0292 0.0342 -0.0180 254 GLY B O 7001 N N . ASP B 255 ? 0.2834 0.2426 0.2394 -0.0285 0.0345 -0.0178 255 ASP B N 7002 C CA . ASP B 255 ? 0.2723 0.2431 0.2400 -0.0308 0.0327 -0.0184 255 ASP B CA 7003 C C . ASP B 255 ? 0.2643 0.2396 0.2371 -0.0332 0.0344 -0.0183 255 ASP B C 7004 O O . ASP B 255 ? 0.2712 0.2434 0.2402 -0.0313 0.0351 -0.0179 255 ASP B O 7005 C CB . ASP B 255 ? 0.2726 0.2490 0.2435 -0.0272 0.0284 -0.0189 255 ASP B CB 7006 C CG . ASP B 255 ? 0.2691 0.2555 0.2502 -0.0292 0.0268 -0.0194 255 ASP B CG 7007 O OD1 . ASP B 255 ? 0.2584 0.2489 0.2433 -0.0296 0.0266 -0.0194 255 ASP B OD1 7008 O OD2 . ASP B 255 ? 0.2732 0.2625 0.2574 -0.0302 0.0257 -0.0197 255 ASP B OD2 7009 N N . MET B 256 ? 0.2538 0.2364 0.2347 -0.0367 0.0348 -0.0189 256 MET B N 7010 C CA . MET B 256 ? 0.2509 0.2388 0.2371 -0.0386 0.0364 -0.0193 256 MET B CA 7011 C C . MET B 256 ? 0.2484 0.2392 0.2359 -0.0356 0.0343 -0.0190 256 MET B C 7012 O O . MET B 256 ? 0.2501 0.2413 0.2376 -0.0358 0.0360 -0.0189 256 MET B O 7013 C CB . MET B 256 ? 0.2415 0.2377 0.2363 -0.0417 0.0360 -0.0204 256 MET B CB 7014 C CG . MET B 256 ? 0.2368 0.2392 0.2370 -0.0432 0.0375 -0.0213 256 MET B CG 7015 S SD . MET B 256 ? 0.2506 0.2487 0.2472 -0.0465 0.0430 -0.0218 256 MET B SD 7016 C CE . MET B 256 ? 0.2424 0.2419 0.2419 -0.0514 0.0448 -0.0234 256 MET B CE 7017 N N . TRP B 257 ? 0.2363 0.2291 0.2248 -0.0330 0.0308 -0.0190 257 TRP B N 7018 C CA . TRP B 257 ? 0.2346 0.2302 0.2244 -0.0305 0.0286 -0.0191 257 TRP B CA 7019 C C . TRP B 257 ? 0.2350 0.2255 0.2184 -0.0269 0.0273 -0.0191 257 TRP B C 7020 O O . TRP B 257 ? 0.2336 0.2261 0.2177 -0.0248 0.0252 -0.0195 257 TRP B O 7021 C CB . TRP B 257 ? 0.2230 0.2255 0.2194 -0.0309 0.0260 -0.0196 257 TRP B CB 7022 C CG . TRP B 257 ? 0.2158 0.2227 0.2174 -0.0337 0.0270 -0.0199 257 TRP B CG 7023 C CD1 . TRP B 257 ? 0.2197 0.2302 0.2245 -0.0344 0.0278 -0.0202 257 TRP B CD1 7024 C CD2 . TRP B 257 ? 0.2205 0.2285 0.2241 -0.0357 0.0273 -0.0202 257 TRP B CD2 7025 N NE1 . TRP B 257 ? 0.2217 0.2363 0.2309 -0.0365 0.0283 -0.0209 257 TRP B NE1 7026 C CE2 . TRP B 257 ? 0.2194 0.2324 0.2279 -0.0376 0.0280 -0.0209 257 TRP B CE2 7027 C CE3 . TRP B 257 ? 0.2227 0.2281 0.2242 -0.0358 0.0268 -0.0202 257 TRP B CE3 7028 C CZ2 . TRP B 257 ? 0.2190 0.2347 0.2307 -0.0397 0.0282 -0.0218 257 TRP B CZ2 7029 C CZ3 . TRP B 257 ? 0.2294 0.2367 0.2336 -0.0381 0.0271 -0.0207 257 TRP B CZ3 7030 C CH2 . TRP B 257 ? 0.2237 0.2362 0.2331 -0.0401 0.0278 -0.0215 257 TRP B CH2 7031 N N . ALA B 258 ? 0.2417 0.2251 0.2181 -0.0259 0.0284 -0.0188 258 ALA B N 7032 C CA . ALA B 258 ? 0.2539 0.2322 0.2232 -0.0214 0.0267 -0.0191 258 ALA B CA 7033 C C . ALA B 258 ? 0.2515 0.2360 0.2251 -0.0194 0.0227 -0.0205 258 ALA B C 7034 O O . ALA B 258 ? 0.2556 0.2397 0.2264 -0.0158 0.0205 -0.0215 258 ALA B O 7035 C CB . ALA B 258 ? 0.2456 0.2197 0.2100 -0.0193 0.0276 -0.0188 258 ALA B CB 7036 N N . GLN B 259 ? 0.2597 0.2502 0.2400 -0.0218 0.0219 -0.0207 259 GLN B N 7037 C CA . GLN B 259 ? 0.2670 0.2641 0.2523 -0.0209 0.0189 -0.0221 259 GLN B CA 7038 C C . GLN B 259 ? 0.2821 0.2787 0.2647 -0.0182 0.0171 -0.0232 259 GLN B C 7039 O O . GLN B 259 ? 0.2912 0.2930 0.2767 -0.0166 0.0147 -0.0249 259 GLN B O 7040 C CB . GLN B 259 ? 0.2598 0.2628 0.2525 -0.0244 0.0191 -0.0219 259 GLN B CB 7041 C CG . GLN B 259 ? 0.2599 0.2630 0.2538 -0.0262 0.0199 -0.0214 259 GLN B CG 7042 C CD . GLN B 259 ? 0.2622 0.2704 0.2624 -0.0290 0.0199 -0.0213 259 GLN B CD 7043 O OE1 . GLN B 259 ? 0.2735 0.2829 0.2759 -0.0305 0.0208 -0.0209 259 GLN B OE1 7044 N NE2 . GLN B 259 ? 0.2583 0.2693 0.2609 -0.0293 0.0188 -0.0218 259 GLN B NE2 7045 N N . SER B 260 ? 0.2907 0.2810 0.2676 -0.0177 0.0186 -0.0224 260 SER B N 7046 C CA . SER B 260 ? 0.3025 0.2913 0.2759 -0.0149 0.0172 -0.0232 260 SER B CA 7047 C C . SER B 260 ? 0.2986 0.2764 0.2613 -0.0128 0.0189 -0.0223 260 SER B C 7048 O O . SER B 260 ? 0.3001 0.2729 0.2608 -0.0160 0.0220 -0.0209 260 SER B O 7049 C CB . SER B 260 ? 0.3110 0.3030 0.2892 -0.0180 0.0177 -0.0228 260 SER B CB 7050 O OG . SER B 260 ? 0.3459 0.3388 0.3226 -0.0154 0.0159 -0.0240 260 SER B OG 7051 N N . TRP B 261 ? 0.2903 0.2641 0.2458 -0.0075 0.0170 -0.0234 261 TRP B N 7052 C CA . TRP B 261 ? 0.3035 0.2645 0.2464 -0.0049 0.0189 -0.0225 261 TRP B CA 7053 C C . TRP B 261 ? 0.3148 0.2689 0.2499 -0.0025 0.0189 -0.0225 261 TRP B C 7054 O O . TRP B 261 ? 0.3241 0.2661 0.2470 0.0002 0.0203 -0.0219 261 TRP B O 7055 C CB . TRP B 261 ? 0.3050 0.2627 0.2415 0.0001 0.0173 -0.0234 261 TRP B CB 7056 C CG . TRP B 261 ? 0.2970 0.2594 0.2390 -0.0016 0.0174 -0.0233 261 TRP B CG 7057 C CD1 . TRP B 261 ? 0.2891 0.2571 0.2398 -0.0071 0.0192 -0.0223 261 TRP B CD1 7058 C CD2 . TRP B 261 ? 0.3016 0.2628 0.2397 0.0025 0.0156 -0.0244 261 TRP B CD2 7059 N NE1 . TRP B 261 ? 0.2866 0.2568 0.2390 -0.0065 0.0187 -0.0226 261 TRP B NE1 7060 C CE2 . TRP B 261 ? 0.2945 0.2607 0.2395 -0.0009 0.0165 -0.0239 261 TRP B CE2 7061 C CE3 . TRP B 261 ? 0.3095 0.2662 0.2388 0.0094 0.0129 -0.0261 261 TRP B CE3 7062 C CZ2 . TRP B 261 ? 0.2981 0.2642 0.2412 0.0018 0.0150 -0.0248 261 TRP B CZ2 7063 C CZ3 . TRP B 261 ? 0.3179 0.2751 0.2457 0.0122 0.0112 -0.0272 261 TRP B CZ3 7064 C CH2 . TRP B 261 ? 0.3079 0.2697 0.2427 0.0082 0.0124 -0.0265 261 TRP B CH2 7065 N N . GLU B 262 ? 0.3062 0.2670 0.2474 -0.0033 0.0174 -0.0233 262 GLU B N 7066 C CA . GLU B 262 ? 0.3253 0.2803 0.2593 -0.0004 0.0169 -0.0236 262 GLU B CA 7067 C C . GLU B 262 ? 0.3288 0.2704 0.2530 -0.0026 0.0207 -0.0217 262 GLU B C 7068 O O . GLU B 262 ? 0.3328 0.2641 0.2454 0.0013 0.0207 -0.0217 262 GLU B O 7069 C CB . GLU B 262 ? 0.3299 0.2945 0.2729 -0.0018 0.0152 -0.0245 262 GLU B CB 7070 C CG . GLU B 262 ? 0.3383 0.3051 0.2879 -0.0085 0.0176 -0.0230 262 GLU B CG 7071 C CD . GLU B 262 ? 0.3450 0.3208 0.3054 -0.0127 0.0179 -0.0228 262 GLU B CD 7072 O OE1 . GLU B 262 ? 0.3243 0.3054 0.2879 -0.0110 0.0163 -0.0238 262 GLU B OE1 7073 O OE2 . GLU B 262 ? 0.3348 0.3122 0.3000 -0.0176 0.0198 -0.0218 262 GLU B OE2 7074 N N . ASN B 263 ? 0.3213 0.2628 0.2497 -0.0089 0.0240 -0.0203 263 ASN B N 7075 C CA . ASN B 263 ? 0.3377 0.2678 0.2584 -0.0124 0.0282 -0.0189 263 ASN B CA 7076 C C . ASN B 263 ? 0.3490 0.2650 0.2557 -0.0099 0.0308 -0.0182 263 ASN B C 7077 O O . ASN B 263 ? 0.3455 0.2498 0.2432 -0.0123 0.0344 -0.0173 263 ASN B O 7078 C CB . ASN B 263 ? 0.3415 0.2771 0.2716 -0.0198 0.0310 -0.0184 263 ASN B CB 7079 C CG . ASN B 263 ? 0.3496 0.2955 0.2904 -0.0223 0.0292 -0.0189 263 ASN B CG 7080 O OD1 . ASN B 263 ? 0.3787 0.3216 0.3170 -0.0227 0.0291 -0.0191 263 ASN B OD1 7081 N ND2 . ASN B 263 ? 0.3190 0.2764 0.2709 -0.0238 0.0277 -0.0193 263 ASN B ND2 7082 N N . ILE B 264 ? 0.3443 0.2606 0.2485 -0.0053 0.0290 -0.0186 264 ILE B N 7083 C CA . ILE B 264 ? 0.3588 0.2601 0.2473 -0.0015 0.0309 -0.0180 264 ILE B CA 7084 C C . ILE B 264 ? 0.3711 0.2674 0.2496 0.0070 0.0271 -0.0193 264 ILE B C 7085 O O . ILE B 264 ? 0.3861 0.2718 0.2520 0.0123 0.0272 -0.0192 264 ILE B O 7086 C CB . ILE B 264 ? 0.3609 0.2622 0.2496 -0.0018 0.0323 -0.0175 264 ILE B CB 7087 C CG1 . ILE B 264 ? 0.3465 0.2608 0.2447 0.0013 0.0276 -0.0190 264 ILE B CG1 7088 C CG2 . ILE B 264 ? 0.3494 0.2524 0.2444 -0.0099 0.0370 -0.0163 264 ILE B CG2 7089 C CD1 . ILE B 264 ? 0.3714 0.2826 0.2653 0.0038 0.0279 -0.0189 264 ILE B CD1 7090 N N . TYR B 265 ? 0.3716 0.2755 0.2555 0.0088 0.0238 -0.0205 265 TYR B N 7091 C CA . TYR B 265 ? 0.3942 0.2941 0.2689 0.0171 0.0202 -0.0222 265 TYR B CA 7092 C C . TYR B 265 ? 0.4286 0.3083 0.2836 0.0206 0.0227 -0.0211 265 TYR B C 7093 O O . TYR B 265 ? 0.4505 0.3230 0.2938 0.0286 0.0205 -0.0222 265 TYR B O 7094 C CB . TYR B 265 ? 0.3941 0.3042 0.2772 0.0173 0.0174 -0.0235 265 TYR B CB 7095 C CG . TYR B 265 ? 0.4036 0.3115 0.2786 0.0261 0.0136 -0.0256 265 TYR B CG 7096 C CD1 . TYR B 265 ? 0.4020 0.3174 0.2784 0.0327 0.0092 -0.0283 265 TYR B CD1 7097 C CD2 . TYR B 265 ? 0.4242 0.3230 0.2901 0.0278 0.0141 -0.0252 265 TYR B CD2 7098 C CE1 . TYR B 265 ? 0.4223 0.3369 0.2916 0.0413 0.0054 -0.0308 265 TYR B CE1 7099 C CE2 . TYR B 265 ? 0.4358 0.3329 0.2938 0.0365 0.0104 -0.0274 265 TYR B CE2 7100 C CZ . TYR B 265 ? 0.4325 0.3380 0.2925 0.0434 0.0060 -0.0302 265 TYR B CZ 7101 O OH . TYR B 265 ? 0.4445 0.3494 0.2971 0.0524 0.0022 -0.0329 265 TYR B OH 7102 N N . ASP B 266 ? 0.4661 0.3362 0.3167 0.0146 0.0275 -0.0192 266 ASP B N 7103 C CA . ASP B 266 ? 0.5114 0.3605 0.3421 0.0169 0.0307 -0.0181 266 ASP B CA 7104 C C . ASP B 266 ? 0.5345 0.3710 0.3525 0.0193 0.0332 -0.0172 266 ASP B C 7105 O O . ASP B 266 ? 0.5432 0.3611 0.3421 0.0234 0.0351 -0.0166 266 ASP B O 7106 C CB . ASP B 266 ? 0.5397 0.3817 0.3689 0.0093 0.0353 -0.0168 266 ASP B CB 7107 C CG . ASP B 266 ? 0.5613 0.4042 0.3968 0.0000 0.0406 -0.0155 266 ASP B CG 7108 O OD1 . ASP B 266 ? 0.5862 0.4340 0.4264 -0.0005 0.0410 -0.0153 266 ASP B OD1 7109 O OD2 . ASP B 266 ? 0.5864 0.4252 0.4223 -0.0067 0.0443 -0.0150 266 ASP B OD2 7110 N N . MET B 267 ? 0.5239 0.3697 0.3515 0.0172 0.0332 -0.0172 267 MET B N 7111 C CA . MET B 267 ? 0.5427 0.3781 0.3593 0.0200 0.0351 -0.0165 267 MET B CA 7112 C C . MET B 267 ? 0.5380 0.3760 0.3506 0.0299 0.0295 -0.0184 267 MET B C 7113 O O . MET B 267 ? 0.5550 0.3801 0.3529 0.0351 0.0303 -0.0181 267 MET B O 7114 C CB . MET B 267 ? 0.5515 0.3948 0.3794 0.0129 0.0382 -0.0156 267 MET B CB 7115 C CG . MET B 267 ? 0.5871 0.4247 0.4155 0.0035 0.0449 -0.0139 267 MET B CG 7116 S SD . MET B 267 ? 0.6273 0.4786 0.4718 -0.0033 0.0471 -0.0136 267 MET B SD 7117 C CE . MET B 267 ? 0.6083 0.4468 0.4382 0.0017 0.0489 -0.0128 267 MET B CE 7118 N N . VAL B 268 ? 0.4981 0.3530 0.3238 0.0324 0.0240 -0.0207 268 VAL B N 7119 C CA . VAL B 268 ? 0.4976 0.3597 0.3241 0.0405 0.0184 -0.0233 268 VAL B CA 7120 C C . VAL B 268 ? 0.5041 0.3679 0.3260 0.0489 0.0132 -0.0260 268 VAL B C 7121 O O . VAL B 268 ? 0.5076 0.3763 0.3281 0.0567 0.0084 -0.0288 268 VAL B O 7122 C CB . VAL B 268 ? 0.4764 0.3583 0.3226 0.0366 0.0160 -0.0244 268 VAL B CB 7123 C CG1 . VAL B 268 ? 0.4784 0.3589 0.3282 0.0300 0.0204 -0.0222 268 VAL B CG1 7124 C CG2 . VAL B 268 ? 0.4646 0.3615 0.3267 0.0319 0.0147 -0.0251 268 VAL B CG2 7125 N N . VAL B 269 ? 0.4941 0.3548 0.3142 0.0476 0.0142 -0.0254 269 VAL B N 7126 C CA . VAL B 269 ? 0.5140 0.3761 0.3295 0.0555 0.0097 -0.0279 269 VAL B CA 7127 C C . VAL B 269 ? 0.5485 0.3956 0.3436 0.0663 0.0077 -0.0291 269 VAL B C 7128 O O . VAL B 269 ? 0.5726 0.3992 0.3500 0.0668 0.0118 -0.0267 269 VAL B O 7129 C CB . VAL B 269 ? 0.5143 0.3724 0.3288 0.0518 0.0118 -0.0267 269 VAL B CB 7130 C CG1 . VAL B 269 ? 0.5348 0.3715 0.3337 0.0482 0.0178 -0.0235 269 VAL B CG1 7131 C CG2 . VAL B 269 ? 0.5318 0.3923 0.3421 0.0603 0.0071 -0.0294 269 VAL B CG2 7132 N N . PRO B 270 ? 0.5426 0.3996 0.3397 0.0749 0.0016 -0.0329 270 PRO B N 7133 C CA . PRO B 270 ? 0.5668 0.4106 0.3445 0.0865 -0.0011 -0.0346 270 PRO B CA 7134 C C . PRO B 270 ? 0.5822 0.4091 0.3408 0.0930 -0.0009 -0.0343 270 PRO B C 7135 O O . PRO B 270 ? 0.5927 0.4002 0.3299 0.1002 -0.0003 -0.0338 270 PRO B O 7136 C CB . PRO B 270 ? 0.5574 0.4205 0.3460 0.0931 -0.0082 -0.0396 270 PRO B CB 7137 C CG . PRO B 270 ? 0.5251 0.4091 0.3362 0.0858 -0.0089 -0.0405 270 PRO B CG 7138 C CD . PRO B 270 ? 0.5123 0.3933 0.3299 0.0739 -0.0027 -0.0360 270 PRO B CD 7139 N N . PHE B 271 ? 0.5819 0.4150 0.3472 0.0907 -0.0012 -0.0345 271 PHE B N 7140 C CA . PHE B 271 ? 0.6077 0.4269 0.3562 0.0977 -0.0019 -0.0348 271 PHE B CA 7141 C C . PHE B 271 ? 0.6131 0.4246 0.3613 0.0890 0.0032 -0.0315 271 PHE B C 7142 O O . PHE B 271 ? 0.5894 0.4107 0.3464 0.0880 0.0016 -0.0325 271 PHE B O 7143 C CB . PHE B 271 ? 0.6086 0.4434 0.3631 0.1067 -0.0089 -0.0396 271 PHE B CB 7144 C CG . PHE B 271 ? 0.6166 0.4628 0.3751 0.1140 -0.0143 -0.0436 271 PHE B CG 7145 C CD1 . PHE B 271 ? 0.6466 0.4774 0.3856 0.1234 -0.0157 -0.0443 271 PHE B CD1 7146 C CD2 . PHE B 271 ? 0.5974 0.4690 0.3785 0.1113 -0.0177 -0.0468 271 PHE B CD2 7147 C CE1 . PHE B 271 ? 0.6619 0.5035 0.4046 0.1302 -0.0210 -0.0484 271 PHE B CE1 7148 C CE2 . PHE B 271 ? 0.6064 0.4888 0.3915 0.1175 -0.0226 -0.0509 271 PHE B CE2 7149 C CZ . PHE B 271 ? 0.6354 0.5034 0.4017 0.1270 -0.0245 -0.0518 271 PHE B CZ 7150 N N . PRO B 272 ? 0.6394 0.4334 0.3775 0.0825 0.0096 -0.0278 272 PRO B N 7151 C CA . PRO B 272 ? 0.6512 0.4396 0.3915 0.0727 0.0148 -0.0251 272 PRO B CA 7152 C C . PRO B 272 ? 0.6778 0.4517 0.4023 0.0773 0.0148 -0.0251 272 PRO B C 7153 O O . PRO B 272 ? 0.6905 0.4617 0.4177 0.0699 0.0182 -0.0234 272 PRO B O 7154 C CB . PRO B 272 ? 0.6512 0.4247 0.3837 0.0655 0.0216 -0.0219 272 PRO B CB 7155 C CG . PRO B 272 ? 0.6587 0.4289 0.3840 0.0720 0.0199 -0.0227 272 PRO B CG 7156 C CD . PRO B 272 ? 0.6472 0.4248 0.3702 0.0844 0.0124 -0.0264 272 PRO B CD 7157 N N . ASP B 273 ? 0.6970 0.4620 0.4051 0.0898 0.0109 -0.0271 273 ASP B N 7158 C CA . ASP B 273 ? 0.7415 0.4930 0.4333 0.0964 0.0099 -0.0276 273 ASP B CA 7159 C C . ASP B 273 ? 0.7326 0.5034 0.4399 0.0976 0.0055 -0.0300 273 ASP B C 7160 O O . ASP B 273 ? 0.7231 0.4859 0.4229 0.0982 0.0062 -0.0295 273 ASP B O 7161 C CB . ASP B 273 ? 0.7834 0.5197 0.4524 0.1105 0.0065 -0.0294 273 ASP B CB 7162 C CG . ASP B 273 ? 0.7818 0.5383 0.4613 0.1197 -0.0009 -0.0337 273 ASP B CG 7163 O OD1 . ASP B 273 ? 0.7618 0.5337 0.4573 0.1156 -0.0016 -0.0343 273 ASP B OD1 7164 O OD2 . ASP B 273 ? 0.8231 0.5803 0.4948 0.1310 -0.0061 -0.0369 273 ASP B OD2 7165 N N . LYS B 274 ? 0.7217 0.5174 0.4498 0.0977 0.0013 -0.0325 274 LYS B N 7166 C CA . LYS B 274 ? 0.7085 0.5247 0.4536 0.0977 -0.0022 -0.0349 274 LYS B CA 7167 C C . LYS B 274 ? 0.6865 0.5069 0.4442 0.0852 0.0020 -0.0322 274 LYS B C 7168 O O . LYS B 274 ? 0.7013 0.5147 0.4597 0.0762 0.0070 -0.0292 274 LYS B O 7169 C CB . LYS B 274 ? 0.6865 0.5271 0.4502 0.0997 -0.0070 -0.0384 274 LYS B CB 7170 C CG . LYS B 274 ? 0.7283 0.5663 0.4824 0.1099 -0.0108 -0.0410 274 LYS B CG 7171 C CD . LYS B 274 ? 0.7733 0.6084 0.5144 0.1238 -0.0160 -0.0448 274 LYS B CD 7172 C CE . LYS B 274 ? 0.7668 0.6286 0.5267 0.1271 -0.0215 -0.0497 274 LYS B CE 7173 N NZ . LYS B 274 ? 0.8063 0.6659 0.5537 0.1408 -0.0266 -0.0537 274 LYS B NZ 7174 N N . PRO B 275 ? 0.6698 0.5019 0.4374 0.0847 0.0001 -0.0334 275 PRO B N 7175 C CA . PRO B 275 ? 0.6489 0.4854 0.4282 0.0736 0.0037 -0.0311 275 PRO B CA 7176 C C . PRO B 275 ? 0.6060 0.4558 0.4039 0.0636 0.0058 -0.0299 275 PRO B C 7177 O O . PRO B 275 ? 0.5786 0.4432 0.3877 0.0652 0.0030 -0.0318 275 PRO B O 7178 C CB . PRO B 275 ? 0.6483 0.4995 0.4372 0.0769 0.0000 -0.0336 275 PRO B CB 7179 C CG . PRO B 275 ? 0.6720 0.5165 0.4454 0.0901 -0.0040 -0.0363 275 PRO B CG 7180 C CD . PRO B 275 ? 0.6788 0.5195 0.4457 0.0949 -0.0052 -0.0371 275 PRO B CD 7181 N N . ASN B 276 ? 0.6035 0.4476 0.4039 0.0536 0.0106 -0.0271 276 ASN B N 7182 C CA . ASN B 276 ? 0.5833 0.4386 0.4000 0.0443 0.0128 -0.0258 276 ASN B CA 7183 C C . ASN B 276 ? 0.5615 0.4391 0.3989 0.0414 0.0102 -0.0273 276 ASN B C 7184 O O . ASN B 276 ? 0.5429 0.4235 0.3850 0.0383 0.0107 -0.0270 276 ASN B O 7185 C CB . ASN B 276 ? 0.5966 0.4403 0.4100 0.0348 0.0186 -0.0230 276 ASN B CB 7186 C CG . ASN B 276 ? 0.5900 0.4419 0.4163 0.0266 0.0212 -0.0218 276 ASN B CG 7187 O OD1 . ASN B 276 ? 0.5817 0.4464 0.4181 0.0278 0.0188 -0.0228 276 ASN B OD1 7188 N ND2 . ASN B 276 ? 0.6013 0.4457 0.4268 0.0181 0.0260 -0.0200 276 ASN B ND2 7189 N N . LEU B 277 ? 0.5352 0.4274 0.3841 0.0426 0.0077 -0.0289 277 LEU B N 7190 C CA . LEU B 277 ? 0.5089 0.4215 0.3765 0.0398 0.0056 -0.0305 277 LEU B CA 7191 C C . LEU B 277 ? 0.4994 0.4180 0.3798 0.0295 0.0087 -0.0284 277 LEU B C 7192 O O . LEU B 277 ? 0.5086 0.4420 0.4033 0.0264 0.0077 -0.0292 277 LEU B O 7193 C CB . LEU B 277 ? 0.4985 0.4243 0.3735 0.0444 0.0020 -0.0334 277 LEU B CB 7194 C CG . LEU B 277 ? 0.5140 0.4401 0.3806 0.0554 -0.0023 -0.0367 277 LEU B CG 7195 C CD1 . LEU B 277 ? 0.4912 0.4300 0.3656 0.0586 -0.0055 -0.0397 277 LEU B CD1 7196 C CD2 . LEU B 277 ? 0.5068 0.4402 0.3767 0.0583 -0.0042 -0.0386 277 LEU B CD2 7197 N N . ASP B 278 ? 0.5063 0.4136 0.3813 0.0242 0.0127 -0.0259 278 ASP B N 7198 C CA . ASP B 278 ? 0.4874 0.3984 0.3723 0.0149 0.0157 -0.0242 278 ASP B CA 7199 C C . ASP B 278 ? 0.4748 0.3775 0.3540 0.0128 0.0173 -0.0234 278 ASP B C 7200 O O . ASP B 278 ? 0.4698 0.3561 0.3351 0.0126 0.0199 -0.0223 278 ASP B O 7201 C CB . ASP B 278 ? 0.5242 0.4287 0.4071 0.0100 0.0193 -0.0225 278 ASP B CB 7202 C CG . ASP B 278 ? 0.5462 0.4530 0.4374 0.0008 0.0226 -0.0211 278 ASP B CG 7203 O OD1 . ASP B 278 ? 0.5675 0.4842 0.4691 -0.0019 0.0215 -0.0215 278 ASP B OD1 7204 O OD2 . ASP B 278 ? 0.5620 0.4607 0.4492 -0.0035 0.0263 -0.0198 278 ASP B OD2 7205 N N . VAL B 279 ? 0.4318 0.3451 0.3211 0.0111 0.0159 -0.0240 279 VAL B N 7206 C CA . VAL B 279 ? 0.4202 0.3271 0.3044 0.0104 0.0165 -0.0237 279 VAL B CA 7207 C C . VAL B 279 ? 0.4099 0.3141 0.2979 0.0016 0.0199 -0.0222 279 VAL B C 7208 O O . VAL B 279 ? 0.4115 0.3125 0.2980 -0.0001 0.0203 -0.0221 279 VAL B O 7209 C CB . VAL B 279 ? 0.4122 0.3312 0.3040 0.0137 0.0133 -0.0253 279 VAL B CB 7210 C CG1 . VAL B 279 ? 0.4177 0.3388 0.3045 0.0229 0.0099 -0.0274 279 VAL B CG1 7211 C CG2 . VAL B 279 ? 0.3911 0.3265 0.3003 0.0088 0.0129 -0.0255 279 VAL B CG2 7212 N N . THR B 280 ? 0.3972 0.3027 0.2900 -0.0035 0.0222 -0.0214 280 THR B N 7213 C CA . THR B 280 ? 0.3903 0.2953 0.2882 -0.0118 0.0253 -0.0206 280 THR B CA 7214 C C . THR B 280 ? 0.4139 0.3038 0.2998 -0.0139 0.0280 -0.0203 280 THR B C 7215 O O . THR B 280 ? 0.4060 0.2973 0.2956 -0.0179 0.0283 -0.0206 280 THR B O 7216 C CB . THR B 280 ? 0.3889 0.2957 0.2911 -0.0161 0.0278 -0.0200 280 THR B CB 7217 O OG1 . THR B 280 ? 0.3659 0.2873 0.2806 -0.0155 0.0255 -0.0204 280 THR B OG1 7218 C CG2 . THR B 280 ? 0.3833 0.2887 0.2893 -0.0244 0.0313 -0.0198 280 THR B CG2 7219 N N . SER B 281 ? 0.4327 0.3072 0.3033 -0.0111 0.0298 -0.0197 281 SER B N 7220 C CA . SER B 281 ? 0.4638 0.3215 0.3210 -0.0135 0.0329 -0.0194 281 SER B CA 7221 C C . SER B 281 ? 0.4605 0.3156 0.3133 -0.0101 0.0306 -0.0200 281 SER B C 7222 O O . SER B 281 ? 0.4663 0.3137 0.3150 -0.0145 0.0326 -0.0201 281 SER B O 7223 C CB . SER B 281 ? 0.4932 0.3330 0.3328 -0.0108 0.0357 -0.0186 281 SER B CB 7224 O OG . SER B 281 ? 0.5086 0.3431 0.3376 -0.0010 0.0325 -0.0189 281 SER B OG 7225 N N . THR B 282 ? 0.4519 0.3139 0.3059 -0.0024 0.0264 -0.0207 282 THR B N 7226 C CA . THR B 282 ? 0.4468 0.3089 0.2986 0.0010 0.0240 -0.0214 282 THR B CA 7227 C C . THR B 282 ? 0.4313 0.3063 0.2979 -0.0044 0.0234 -0.0217 282 THR B C 7228 O O . THR B 282 ? 0.4265 0.2971 0.2899 -0.0054 0.0233 -0.0220 282 THR B O 7229 C CB . THR B 282 ? 0.4529 0.3204 0.3028 0.0108 0.0199 -0.0225 282 THR B CB 7230 O OG1 . THR B 282 ? 0.4808 0.3343 0.3147 0.0167 0.0202 -0.0224 282 THR B OG1 7231 C CG2 . THR B 282 ? 0.4514 0.3199 0.2995 0.0146 0.0176 -0.0234 282 THR B CG2 7232 N N . MET B 283 ? 0.4098 0.2999 0.2917 -0.0076 0.0228 -0.0218 283 MET B N 7233 C CA . MET B 283 ? 0.3931 0.2944 0.2880 -0.0125 0.0223 -0.0221 283 MET B CA 7234 C C . MET B 283 ? 0.4095 0.3031 0.3022 -0.0198 0.0253 -0.0220 283 MET B C 7235 O O . MET B 283 ? 0.4038 0.2984 0.2988 -0.0220 0.0248 -0.0226 283 MET B O 7236 C CB . MET B 283 ? 0.3666 0.2829 0.2761 -0.0148 0.0215 -0.0221 283 MET B CB 7237 C CG . MET B 283 ? 0.3466 0.2731 0.2610 -0.0090 0.0185 -0.0227 283 MET B CG 7238 S SD . MET B 283 ? 0.3441 0.2851 0.2732 -0.0121 0.0183 -0.0227 283 MET B SD 7239 C CE . MET B 283 ? 0.3082 0.2583 0.2485 -0.0173 0.0182 -0.0228 283 MET B CE 7240 N N . LEU B 284 ? 0.4238 0.3098 0.3121 -0.0236 0.0286 -0.0216 284 LEU B N 7241 C CA . LEU B 284 ? 0.4524 0.3310 0.3384 -0.0311 0.0321 -0.0221 284 LEU B CA 7242 C C . LEU B 284 ? 0.4835 0.3459 0.3545 -0.0300 0.0330 -0.0222 284 LEU B C 7243 O O . LEU B 284 ? 0.4834 0.3442 0.3555 -0.0345 0.0337 -0.0232 284 LEU B O 7244 C CB . LEU B 284 ? 0.4658 0.3403 0.3504 -0.0353 0.0358 -0.0218 284 LEU B CB 7245 C CG . LEU B 284 ? 0.4565 0.3464 0.3561 -0.0375 0.0352 -0.0218 284 LEU B CG 7246 C CD1 . LEU B 284 ? 0.4723 0.3571 0.3682 -0.0395 0.0387 -0.0212 284 LEU B CD1 7247 C CD2 . LEU B 284 ? 0.4444 0.3449 0.3566 -0.0437 0.0352 -0.0231 284 LEU B CD2 7248 N N . GLN B 285 ? 0.5040 0.3544 0.3607 -0.0237 0.0329 -0.0215 285 GLN B N 7249 C CA . GLN B 285 ? 0.5322 0.3657 0.3725 -0.0212 0.0336 -0.0215 285 GLN B CA 7250 C C . GLN B 285 ? 0.5104 0.3493 0.3545 -0.0193 0.0305 -0.0222 285 GLN B C 7251 O O . GLN B 285 ? 0.5042 0.3335 0.3415 -0.0223 0.0317 -0.0228 285 GLN B O 7252 C CB . GLN B 285 ? 0.5810 0.4030 0.4061 -0.0126 0.0329 -0.0208 285 GLN B CB 7253 C CG . GLN B 285 ? 0.6512 0.4559 0.4581 -0.0078 0.0328 -0.0208 285 GLN B CG 7254 C CD . GLN B 285 ? 0.6910 0.4972 0.4922 0.0035 0.0285 -0.0210 285 GLN B CD 7255 O OE1 . GLN B 285 ? 0.7274 0.5303 0.5223 0.0089 0.0280 -0.0208 285 GLN B OE1 7256 N NE2 . GLN B 285 ? 0.6909 0.5025 0.4944 0.0073 0.0254 -0.0218 285 GLN B NE2 7257 N N . GLN B 286 ? 0.4799 0.3342 0.3348 -0.0147 0.0267 -0.0224 286 GLN B N 7258 C CA . GLN B 286 ? 0.4554 0.3161 0.3145 -0.0124 0.0238 -0.0230 286 GLN B CA 7259 C C . GLN B 286 ? 0.4390 0.3096 0.3111 -0.0194 0.0239 -0.0237 286 GLN B C 7260 O O . GLN B 286 ? 0.4303 0.3040 0.3044 -0.0183 0.0220 -0.0242 286 GLN B O 7261 C CB . GLN B 286 ? 0.4513 0.3242 0.3162 -0.0049 0.0202 -0.0232 286 GLN B CB 7262 C CG . GLN B 286 ? 0.4599 0.3240 0.3112 0.0039 0.0188 -0.0234 286 GLN B CG 7263 C CD . GLN B 286 ? 0.4555 0.3340 0.3146 0.0106 0.0154 -0.0243 286 GLN B CD 7264 O OE1 . GLN B 286 ? 0.4195 0.3137 0.2936 0.0083 0.0144 -0.0246 286 GLN B OE1 7265 N NE2 . GLN B 286 ? 0.4615 0.3346 0.3100 0.0190 0.0138 -0.0250 286 GLN B NE2 7266 N N . GLY B 287 ? 0.4236 0.2993 0.3041 -0.0260 0.0259 -0.0238 287 GLY B N 7267 C CA . GLY B 287 ? 0.3991 0.2838 0.2912 -0.0322 0.0258 -0.0249 287 GLY B CA 7268 C C . GLY B 287 ? 0.3818 0.2835 0.2881 -0.0308 0.0230 -0.0249 287 GLY B C 7269 O O . GLY B 287 ? 0.3652 0.2730 0.2782 -0.0330 0.0218 -0.0258 287 GLY B O 7270 N N . TRP B 288 ? 0.3752 0.2841 0.2857 -0.0271 0.0221 -0.0241 288 TRP B N 7271 C CA . TRP B 288 ? 0.3637 0.2878 0.2872 -0.0265 0.0200 -0.0241 288 TRP B CA 7272 C C . TRP B 288 ? 0.3610 0.2923 0.2947 -0.0328 0.0209 -0.0247 288 TRP B C 7273 O O . TRP B 288 ? 0.3555 0.2832 0.2886 -0.0373 0.0232 -0.0250 288 TRP B O 7274 C CB . TRP B 288 ? 0.3444 0.2738 0.2699 -0.0223 0.0193 -0.0235 288 TRP B CB 7275 C CG . TRP B 288 ? 0.3426 0.2705 0.2620 -0.0150 0.0175 -0.0235 288 TRP B CG 7276 C CD1 . TRP B 288 ? 0.3542 0.2699 0.2602 -0.0109 0.0176 -0.0235 288 TRP B CD1 7277 C CD2 . TRP B 288 ? 0.3285 0.2677 0.2546 -0.0109 0.0154 -0.0239 288 TRP B CD2 7278 N NE1 . TRP B 288 ? 0.3518 0.2717 0.2565 -0.0039 0.0152 -0.0241 288 TRP B NE1 7279 C CE2 . TRP B 288 ? 0.3366 0.2713 0.2541 -0.0042 0.0140 -0.0245 288 TRP B CE2 7280 C CE3 . TRP B 288 ? 0.3122 0.2646 0.2505 -0.0123 0.0146 -0.0241 288 TRP B CE3 7281 C CZ2 . TRP B 288 ? 0.3277 0.2723 0.2496 0.0007 0.0120 -0.0256 288 TRP B CZ2 7282 C CZ3 . TRP B 288 ? 0.3072 0.2680 0.2492 -0.0079 0.0131 -0.0249 288 TRP B CZ3 7283 C CH2 . TRP B 288 ? 0.3191 0.2768 0.2536 -0.0016 0.0118 -0.0258 288 TRP B CH2 7284 N N . GLN B 289 ? 0.3496 0.2908 0.2921 -0.0330 0.0190 -0.0251 289 GLN B N 7285 C CA . GLN B 289 ? 0.3563 0.3061 0.3089 -0.0375 0.0191 -0.0259 289 GLN B CA 7286 C C . GLN B 289 ? 0.3291 0.2900 0.2902 -0.0352 0.0175 -0.0253 289 GLN B C 7287 O O . GLN B 289 ? 0.3017 0.2645 0.2617 -0.0308 0.0165 -0.0246 289 GLN B O 7288 C CB . GLN B 289 ? 0.3815 0.3311 0.3354 -0.0404 0.0183 -0.0274 289 GLN B CB 7289 C CG . GLN B 289 ? 0.4438 0.3825 0.3898 -0.0439 0.0201 -0.0285 289 GLN B CG 7290 C CD . GLN B 289 ? 0.4789 0.4151 0.4252 -0.0488 0.0230 -0.0291 289 GLN B CD 7291 O OE1 . GLN B 289 ? 0.5017 0.4464 0.4564 -0.0507 0.0234 -0.0293 289 GLN B OE1 7292 N NE2 . GLN B 289 ? 0.5329 0.4568 0.4694 -0.0510 0.0255 -0.0295 289 GLN B NE2 7293 N N . ALA B 290 ? 0.3144 0.2829 0.2839 -0.0382 0.0175 -0.0258 290 ALA B N 7294 C CA . ALA B 290 ? 0.3148 0.2924 0.2914 -0.0365 0.0163 -0.0253 290 ALA B CA 7295 C C . ALA B 290 ? 0.3234 0.3028 0.2995 -0.0332 0.0147 -0.0251 290 ALA B C 7296 O O . ALA B 290 ? 0.3156 0.2992 0.2934 -0.0305 0.0144 -0.0244 290 ALA B O 7297 C CB . ALA B 290 ? 0.3095 0.2934 0.2935 -0.0397 0.0161 -0.0263 290 ALA B CB 7298 N N . THR B 291 ? 0.3287 0.3049 0.3021 -0.0336 0.0139 -0.0259 291 THR B N 7299 C CA . THR B 291 ? 0.3455 0.3225 0.3174 -0.0303 0.0127 -0.0257 291 THR B CA 7300 C C . THR B 291 ? 0.3251 0.3007 0.2928 -0.0261 0.0129 -0.0249 291 THR B C 7301 O O . THR B 291 ? 0.3261 0.3071 0.2965 -0.0237 0.0126 -0.0246 291 THR B O 7302 C CB . THR B 291 ? 0.3666 0.3385 0.3343 -0.0310 0.0118 -0.0267 291 THR B CB 7303 O OG1 . THR B 291 ? 0.4204 0.3955 0.3929 -0.0344 0.0111 -0.0280 291 THR B OG1 7304 C CG2 . THR B 291 ? 0.3729 0.3458 0.3390 -0.0275 0.0107 -0.0264 291 THR B CG2 7305 N N . HIS B 292 ? 0.3223 0.2906 0.2831 -0.0251 0.0134 -0.0249 292 HIS B N 7306 C CA . HIS B 292 ? 0.3177 0.2846 0.2738 -0.0203 0.0132 -0.0246 292 HIS B CA 7307 C C . HIS B 292 ? 0.2930 0.2676 0.2545 -0.0189 0.0133 -0.0244 292 HIS B C 7308 O O . HIS B 292 ? 0.2855 0.2648 0.2479 -0.0153 0.0128 -0.0248 292 HIS B O 7309 C CB . HIS B 292 ? 0.3394 0.2956 0.2857 -0.0192 0.0138 -0.0246 292 HIS B CB 7310 C CG . HIS B 292 ? 0.3701 0.3175 0.3101 -0.0212 0.0140 -0.0250 292 HIS B CG 7311 N ND1 . HIS B 292 ? 0.3743 0.3173 0.3141 -0.0265 0.0153 -0.0254 292 HIS B ND1 7312 C CD2 . HIS B 292 ? 0.3783 0.3204 0.3120 -0.0187 0.0132 -0.0253 292 HIS B CD2 7313 C CE1 . HIS B 292 ? 0.3922 0.3276 0.3260 -0.0275 0.0152 -0.0262 292 HIS B CE1 7314 N NE2 . HIS B 292 ? 0.3869 0.3211 0.3165 -0.0227 0.0138 -0.0260 292 HIS B NE2 7315 N N . MET B 293 ? 0.2698 0.2458 0.2348 -0.0218 0.0141 -0.0241 293 MET B N 7316 C CA . MET B 293 ? 0.2523 0.2346 0.2218 -0.0207 0.0142 -0.0240 293 MET B CA 7317 C C . MET B 293 ? 0.2406 0.2319 0.2173 -0.0207 0.0139 -0.0242 293 MET B C 7318 O O . MET B 293 ? 0.2318 0.2283 0.2105 -0.0183 0.0137 -0.0248 293 MET B O 7319 C CB . MET B 293 ? 0.2541 0.2357 0.2259 -0.0242 0.0153 -0.0235 293 MET B CB 7320 C CG . MET B 293 ? 0.2667 0.2387 0.2307 -0.0245 0.0163 -0.0234 293 MET B CG 7321 S SD . MET B 293 ? 0.2735 0.2436 0.2394 -0.0296 0.0183 -0.0231 293 MET B SD 7322 C CE . MET B 293 ? 0.2555 0.2326 0.2267 -0.0282 0.0181 -0.0227 293 MET B CE 7323 N N . PHE B 294 ? 0.2358 0.2285 0.2158 -0.0235 0.0140 -0.0240 294 PHE B N 7324 C CA . PHE B 294 ? 0.2299 0.2288 0.2148 -0.0236 0.0141 -0.0240 294 PHE B CA 7325 C C . PHE B 294 ? 0.2263 0.2264 0.2092 -0.0206 0.0140 -0.0245 294 PHE B C 7326 O O . PHE B 294 ? 0.2189 0.2248 0.2053 -0.0199 0.0147 -0.0249 294 PHE B O 7327 C CB . PHE B 294 ? 0.2336 0.2327 0.2211 -0.0264 0.0138 -0.0238 294 PHE B CB 7328 C CG . PHE B 294 ? 0.2394 0.2411 0.2312 -0.0289 0.0142 -0.0236 294 PHE B CG 7329 C CD1 . PHE B 294 ? 0.2480 0.2469 0.2393 -0.0308 0.0143 -0.0237 294 PHE B CD1 7330 C CD2 . PHE B 294 ? 0.2420 0.2484 0.2379 -0.0293 0.0146 -0.0234 294 PHE B CD2 7331 C CE1 . PHE B 294 ? 0.2448 0.2465 0.2400 -0.0328 0.0147 -0.0236 294 PHE B CE1 7332 C CE2 . PHE B 294 ? 0.2414 0.2499 0.2407 -0.0311 0.0148 -0.0232 294 PHE B CE2 7333 C CZ . PHE B 294 ? 0.2463 0.2529 0.2455 -0.0326 0.0148 -0.0233 294 PHE B CZ 7334 N N . ARG B 295 ? 0.2367 0.2313 0.2139 -0.0189 0.0134 -0.0246 295 ARG B N 7335 C CA . ARG B 295 ? 0.2449 0.2404 0.2196 -0.0156 0.0133 -0.0252 295 ARG B CA 7336 C C . ARG B 295 ? 0.2447 0.2438 0.2190 -0.0120 0.0133 -0.0262 295 ARG B C 7337 O O . ARG B 295 ? 0.2512 0.2564 0.2279 -0.0101 0.0139 -0.0271 295 ARG B O 7338 C CB . ARG B 295 ? 0.2459 0.2337 0.2139 -0.0146 0.0125 -0.0252 295 ARG B CB 7339 C CG . ARG B 295 ? 0.2517 0.2378 0.2205 -0.0172 0.0121 -0.0249 295 ARG B CG 7340 C CD . ARG B 295 ? 0.2501 0.2407 0.2212 -0.0163 0.0127 -0.0249 295 ARG B CD 7341 N NE . ARG B 295 ? 0.2553 0.2438 0.2264 -0.0180 0.0120 -0.0248 295 ARG B NE 7342 C CZ . ARG B 295 ? 0.2593 0.2495 0.2308 -0.0174 0.0126 -0.0246 295 ARG B CZ 7343 N NH1 . ARG B 295 ? 0.2578 0.2523 0.2306 -0.0159 0.0143 -0.0246 295 ARG B NH1 7344 N NH2 . ARG B 295 ? 0.2679 0.2556 0.2384 -0.0183 0.0115 -0.0248 295 ARG B NH2 7345 N N . VAL B 296 ? 0.2455 0.2411 0.2167 -0.0110 0.0128 -0.0262 296 VAL B N 7346 C CA . VAL B 296 ? 0.2455 0.2445 0.2160 -0.0071 0.0122 -0.0275 296 VAL B CA 7347 C C . VAL B 296 ? 0.2381 0.2472 0.2169 -0.0084 0.0129 -0.0283 296 VAL B C 7348 O O . VAL B 296 ? 0.2386 0.2546 0.2199 -0.0057 0.0129 -0.0301 296 VAL B O 7349 C CB . VAL B 296 ? 0.2570 0.2482 0.2206 -0.0055 0.0116 -0.0272 296 VAL B CB 7350 C CG1 . VAL B 296 ? 0.2601 0.2555 0.2234 -0.0012 0.0107 -0.0287 296 VAL B CG1 7351 C CG2 . VAL B 296 ? 0.2630 0.2442 0.2171 -0.0034 0.0111 -0.0269 296 VAL B CG2 7352 N N . ALA B 297 ? 0.2308 0.2406 0.2139 -0.0125 0.0136 -0.0273 297 ALA B N 7353 C CA . ALA B 297 ? 0.2213 0.2393 0.2117 -0.0143 0.0144 -0.0280 297 ALA B CA 7354 C C . ALA B 297 ? 0.2269 0.2503 0.2208 -0.0150 0.0157 -0.0287 297 ALA B C 7355 O O . ALA B 297 ? 0.2145 0.2454 0.2126 -0.0145 0.0165 -0.0304 297 ALA B O 7356 C CB . ALA B 297 ? 0.2144 0.2309 0.2075 -0.0183 0.0149 -0.0267 297 ALA B CB 7357 N N . GLU B 298 ? 0.2342 0.2536 0.2262 -0.0163 0.0161 -0.0275 298 GLU B N 7358 C CA . GLU B 298 ? 0.2481 0.2706 0.2416 -0.0168 0.0177 -0.0279 298 GLU B CA 7359 C C . GLU B 298 ? 0.2506 0.2781 0.2440 -0.0134 0.0181 -0.0298 298 GLU B C 7360 O O . GLU B 298 ? 0.2506 0.2849 0.2482 -0.0142 0.0199 -0.0312 298 GLU B O 7361 C CB . GLU B 298 ? 0.2560 0.2722 0.2458 -0.0176 0.0175 -0.0265 298 GLU B CB 7362 C CG . GLU B 298 ? 0.2691 0.2868 0.2587 -0.0175 0.0192 -0.0267 298 GLU B CG 7363 C CD . GLU B 298 ? 0.2862 0.2972 0.2711 -0.0173 0.0184 -0.0256 298 GLU B CD 7364 O OE1 . GLU B 298 ? 0.2928 0.2993 0.2734 -0.0155 0.0168 -0.0255 298 GLU B OE1 7365 O OE2 . GLU B 298 ? 0.2991 0.3091 0.2842 -0.0190 0.0195 -0.0250 298 GLU B OE2 7366 N N . GLU B 299 ? 0.2629 0.2868 0.2510 -0.0095 0.0164 -0.0301 299 GLU B N 7367 C CA . GLU B 299 ? 0.2685 0.2970 0.2558 -0.0054 0.0164 -0.0321 299 GLU B CA 7368 C C . GLU B 299 ? 0.2595 0.2976 0.2521 -0.0042 0.0165 -0.0347 299 GLU B C 7369 O O . GLU B 299 ? 0.2587 0.3048 0.2542 -0.0023 0.0174 -0.0370 299 GLU B O 7370 C CB . GLU B 299 ? 0.2842 0.3054 0.2633 -0.0010 0.0145 -0.0319 299 GLU B CB 7371 C CG . GLU B 299 ? 0.2950 0.3192 0.2717 0.0035 0.0145 -0.0336 299 GLU B CG 7372 C CD . GLU B 299 ? 0.3050 0.3369 0.2833 0.0079 0.0135 -0.0365 299 GLU B CD 7373 O OE1 . GLU B 299 ? 0.3076 0.3375 0.2840 0.0095 0.0119 -0.0367 299 GLU B OE1 7374 O OE2 . GLU B 299 ? 0.3059 0.3464 0.2874 0.0100 0.0145 -0.0388 299 GLU B OE2 7375 N N . PHE B 300 ? 0.2540 0.2921 0.2482 -0.0052 0.0156 -0.0345 300 PHE B N 7376 C CA . PHE B 300 ? 0.2553 0.3031 0.2553 -0.0045 0.0155 -0.0373 300 PHE B CA 7377 C C . PHE B 300 ? 0.2452 0.3007 0.2525 -0.0088 0.0183 -0.0383 300 PHE B C 7378 O O . PHE B 300 ? 0.2486 0.3137 0.2605 -0.0078 0.0192 -0.0414 300 PHE B O 7379 C CB . PHE B 300 ? 0.2585 0.3042 0.2584 -0.0049 0.0140 -0.0368 300 PHE B CB 7380 C CG . PHE B 300 ? 0.2669 0.3211 0.2700 -0.0018 0.0127 -0.0402 300 PHE B CG 7381 C CD1 . PHE B 300 ? 0.2667 0.3318 0.2782 -0.0042 0.0141 -0.0428 300 PHE B CD1 7382 C CD2 . PHE B 300 ? 0.2749 0.3258 0.2722 0.0035 0.0102 -0.0409 300 PHE B CD2 7383 C CE1 . PHE B 300 ? 0.2688 0.3428 0.2838 -0.0014 0.0126 -0.0464 300 PHE B CE1 7384 C CE2 . PHE B 300 ? 0.2796 0.3386 0.2795 0.0070 0.0085 -0.0443 300 PHE B CE2 7385 C CZ . PHE B 300 ? 0.2736 0.3449 0.2830 0.0045 0.0096 -0.0473 300 PHE B CZ 7386 N N . PHE B 301 ? 0.2443 0.2953 0.2521 -0.0134 0.0198 -0.0360 301 PHE B N 7387 C CA . PHE B 301 ? 0.2485 0.3039 0.2611 -0.0177 0.0229 -0.0365 301 PHE B CA 7388 C C . PHE B 301 ? 0.2572 0.3164 0.2701 -0.0171 0.0251 -0.0379 301 PHE B C 7389 O O . PHE B 301 ? 0.2631 0.3306 0.2813 -0.0190 0.0276 -0.0404 301 PHE B O 7390 C CB . PHE B 301 ? 0.2402 0.2881 0.2511 -0.0216 0.0238 -0.0336 301 PHE B CB 7391 C CG . PHE B 301 ? 0.2414 0.2883 0.2542 -0.0236 0.0228 -0.0330 301 PHE B CG 7392 C CD1 . PHE B 301 ? 0.2352 0.2864 0.2525 -0.0271 0.0246 -0.0341 301 PHE B CD1 7393 C CD2 . PHE B 301 ? 0.2389 0.2799 0.2485 -0.0224 0.0205 -0.0313 301 PHE B CD2 7394 C CE1 . PHE B 301 ? 0.2424 0.2923 0.2609 -0.0287 0.0237 -0.0334 301 PHE B CE1 7395 C CE2 . PHE B 301 ? 0.2457 0.2858 0.2569 -0.0241 0.0199 -0.0307 301 PHE B CE2 7396 C CZ . PHE B 301 ? 0.2377 0.2823 0.2533 -0.0270 0.0213 -0.0317 301 PHE B CZ 7397 N N . THR B 302 ? 0.2625 0.3157 0.2698 -0.0146 0.0244 -0.0364 302 THR B N 7398 C CA . THR B 302 ? 0.2687 0.3245 0.2753 -0.0135 0.0265 -0.0374 302 THR B CA 7399 C C . THR B 302 ? 0.2808 0.3464 0.2903 -0.0095 0.0261 -0.0410 302 THR B C 7400 O O . THR B 302 ? 0.2715 0.3440 0.2840 -0.0099 0.0288 -0.0431 302 THR B O 7401 C CB . THR B 302 ? 0.2822 0.3287 0.2816 -0.0116 0.0257 -0.0350 302 THR B CB 7402 O OG1 . THR B 302 ? 0.2823 0.3241 0.2771 -0.0078 0.0223 -0.0345 302 THR B OG1 7403 C CG2 . THR B 302 ? 0.2750 0.3136 0.2722 -0.0153 0.0262 -0.0322 302 THR B CG2 7404 N N . SER B 303 ? 0.2850 0.3512 0.2933 -0.0056 0.0229 -0.0419 303 SER B N 7405 C CA . SER B 303 ? 0.2972 0.3732 0.3081 -0.0009 0.0218 -0.0457 303 SER B CA 7406 C C . SER B 303 ? 0.2946 0.3835 0.3149 -0.0040 0.0240 -0.0493 303 SER B C 7407 O O . SER B 303 ? 0.3035 0.4030 0.3277 -0.0014 0.0245 -0.0532 303 SER B O 7408 C CB . SER B 303 ? 0.2966 0.3695 0.3034 0.0038 0.0178 -0.0460 303 SER B CB 7409 O OG . SER B 303 ? 0.2941 0.3726 0.3061 0.0023 0.0171 -0.0475 303 SER B OG 7410 N N . LEU B 304 ? 0.2916 0.3792 0.3152 -0.0096 0.0254 -0.0482 304 LEU B N 7411 C CA . LEU B 304 ? 0.2961 0.3939 0.3280 -0.0141 0.0280 -0.0513 304 LEU B CA 7412 C C . LEU B 304 ? 0.3018 0.4005 0.3355 -0.0191 0.0329 -0.0513 304 LEU B C 7413 O O . LEU B 304 ? 0.3093 0.4150 0.3492 -0.0238 0.0360 -0.0537 304 LEU B O 7414 C CB . LEU B 304 ? 0.2903 0.3850 0.3238 -0.0175 0.0272 -0.0501 304 LEU B CB 7415 C CG . LEU B 304 ? 0.2932 0.3872 0.3252 -0.0133 0.0229 -0.0504 304 LEU B CG 7416 C CD1 . LEU B 304 ? 0.2956 0.3856 0.3286 -0.0172 0.0226 -0.0488 304 LEU B CD1 7417 C CD2 . LEU B 304 ? 0.3007 0.4074 0.3376 -0.0094 0.0214 -0.0555 304 LEU B CD2 7418 N N . GLU B 305 ? 0.3074 0.3987 0.3353 -0.0180 0.0338 -0.0487 305 GLU B N 7419 C CA . GLU B 305 ? 0.3226 0.4108 0.3493 -0.0223 0.0384 -0.0476 305 GLU B CA 7420 C C . GLU B 305 ? 0.3250 0.4057 0.3506 -0.0279 0.0401 -0.0451 305 GLU B C 7421 O O . GLU B 305 ? 0.3374 0.4176 0.3634 -0.0325 0.0445 -0.0453 305 GLU B O 7422 C CB . GLU B 305 ? 0.3462 0.4466 0.3792 -0.0239 0.0424 -0.0519 305 GLU B CB 7423 C CG . GLU B 305 ? 0.3771 0.4814 0.4084 -0.0184 0.0419 -0.0534 305 GLU B CG 7424 C CD . GLU B 305 ? 0.4058 0.5257 0.4451 -0.0188 0.0447 -0.0588 305 GLU B CD 7425 O OE1 . GLU B 305 ? 0.4075 0.5356 0.4541 -0.0236 0.0469 -0.0618 305 GLU B OE1 7426 O OE2 . GLU B 305 ? 0.4196 0.5439 0.4579 -0.0142 0.0447 -0.0605 305 GLU B OE2 7427 N N . LEU B 306 ? 0.3146 0.3889 0.3379 -0.0272 0.0368 -0.0427 306 LEU B N 7428 C CA . LEU B 306 ? 0.3052 0.3708 0.3257 -0.0311 0.0376 -0.0398 306 LEU B CA 7429 C C . LEU B 306 ? 0.3016 0.3565 0.3146 -0.0293 0.0368 -0.0364 306 LEU B C 7430 O O . LEU B 306 ? 0.2972 0.3516 0.3075 -0.0256 0.0356 -0.0363 306 LEU B O 7431 C CB . LEU B 306 ? 0.2980 0.3635 0.3206 -0.0314 0.0348 -0.0395 306 LEU B CB 7432 C CG . LEU B 306 ? 0.2993 0.3749 0.3293 -0.0339 0.0359 -0.0431 306 LEU B CG 7433 C CD1 . LEU B 306 ? 0.2959 0.3720 0.3275 -0.0328 0.0325 -0.0431 306 LEU B CD1 7434 C CD2 . LEU B 306 ? 0.2984 0.3730 0.3294 -0.0400 0.0405 -0.0435 306 LEU B CD2 7435 N N . SER B 307 ? 0.2997 0.3463 0.3091 -0.0318 0.0373 -0.0339 307 SER B N 7436 C CA . SER B 307 ? 0.3123 0.3495 0.3147 -0.0304 0.0367 -0.0312 307 SER B CA 7437 C C . SER B 307 ? 0.3004 0.3334 0.3005 -0.0272 0.0322 -0.0297 307 SER B C 7438 O O . SER B 307 ? 0.2992 0.3334 0.3018 -0.0273 0.0300 -0.0296 307 SER B O 7439 C CB . SER B 307 ? 0.3307 0.3604 0.3293 -0.0335 0.0387 -0.0295 307 SER B CB 7440 O OG . SER B 307 ? 0.3915 0.4237 0.3913 -0.0372 0.0434 -0.0310 307 SER B OG 7441 N N . PRO B 308 ? 0.2910 0.3191 0.2861 -0.0245 0.0312 -0.0286 308 PRO B N 7442 C CA . PRO B 308 ? 0.2871 0.3098 0.2792 -0.0224 0.0275 -0.0272 308 PRO B CA 7443 C C . PRO B 308 ? 0.2835 0.3004 0.2738 -0.0244 0.0268 -0.0255 308 PRO B C 7444 O O . PRO B 308 ? 0.2837 0.2988 0.2731 -0.0265 0.0291 -0.0251 308 PRO B O 7445 C CB . PRO B 308 ? 0.2865 0.3056 0.2735 -0.0196 0.0272 -0.0269 308 PRO B CB 7446 C CG . PRO B 308 ? 0.2969 0.3163 0.2827 -0.0208 0.0310 -0.0272 308 PRO B CG 7447 C CD . PRO B 308 ? 0.2957 0.3231 0.2876 -0.0235 0.0336 -0.0290 308 PRO B CD 7448 N N . MET B 309 ? 0.2751 0.2888 0.2647 -0.0237 0.0237 -0.0247 309 MET B N 7449 C CA . MET B 309 ? 0.2759 0.2849 0.2638 -0.0248 0.0227 -0.0236 309 MET B CA 7450 C C . MET B 309 ? 0.2829 0.2863 0.2652 -0.0234 0.0226 -0.0230 309 MET B C 7451 O O . MET B 309 ? 0.2794 0.2810 0.2591 -0.0214 0.0213 -0.0232 309 MET B O 7452 C CB . MET B 309 ? 0.2756 0.2837 0.2647 -0.0248 0.0198 -0.0233 309 MET B CB 7453 C CG . MET B 309 ? 0.2807 0.2929 0.2740 -0.0257 0.0196 -0.0237 309 MET B CG 7454 S SD . MET B 309 ? 0.2807 0.2959 0.2778 -0.0283 0.0213 -0.0237 309 MET B SD 7455 C CE . MET B 309 ? 0.2847 0.3059 0.2843 -0.0285 0.0239 -0.0252 309 MET B CE 7456 N N . PRO B 310 ? 0.2910 0.2908 0.2705 -0.0241 0.0238 -0.0224 310 PRO B N 7457 C CA . PRO B 310 ? 0.2967 0.2904 0.2698 -0.0223 0.0236 -0.0220 310 PRO B CA 7458 C C . PRO B 310 ? 0.2925 0.2835 0.2641 -0.0206 0.0197 -0.0221 310 PRO B C 7459 O O . PRO B 310 ? 0.3018 0.2950 0.2772 -0.0216 0.0177 -0.0224 310 PRO B O 7460 C CB . PRO B 310 ? 0.3014 0.2913 0.2715 -0.0233 0.0256 -0.0214 310 PRO B CB 7461 C CG . PRO B 310 ? 0.2936 0.2869 0.2687 -0.0254 0.0249 -0.0214 310 PRO B CG 7462 C CD . PRO B 310 ? 0.2908 0.2910 0.2719 -0.0264 0.0251 -0.0221 310 PRO B CD 7463 N N . PRO B 311 ? 0.2972 0.2833 0.2632 -0.0183 0.0188 -0.0222 311 PRO B N 7464 C CA . PRO B 311 ? 0.2932 0.2771 0.2579 -0.0169 0.0150 -0.0229 311 PRO B CA 7465 C C . PRO B 311 ? 0.2986 0.2833 0.2654 -0.0176 0.0130 -0.0234 311 PRO B C 7466 O O . PRO B 311 ? 0.2953 0.2821 0.2652 -0.0181 0.0104 -0.0245 311 PRO B O 7467 C CB . PRO B 311 ? 0.2955 0.2736 0.2529 -0.0141 0.0149 -0.0229 311 PRO B CB 7468 C CG . PRO B 311 ? 0.3026 0.2811 0.2587 -0.0141 0.0184 -0.0223 311 PRO B CG 7469 C CD . PRO B 311 ? 0.2929 0.2756 0.2535 -0.0169 0.0213 -0.0218 311 PRO B CD 7470 N N . GLU B 312 ? 0.2984 0.2812 0.2632 -0.0175 0.0145 -0.0228 312 GLU B N 7471 C CA . GLU B 312 ? 0.3095 0.2929 0.2756 -0.0175 0.0129 -0.0232 312 GLU B CA 7472 C C . GLU B 312 ? 0.2908 0.2803 0.2645 -0.0201 0.0122 -0.0235 312 GLU B C 7473 O O . GLU B 312 ? 0.2789 0.2704 0.2550 -0.0200 0.0098 -0.0246 312 GLU B O 7474 C CB . GLU B 312 ? 0.3300 0.3092 0.2916 -0.0172 0.0155 -0.0222 312 GLU B CB 7475 C CG . GLU B 312 ? 0.3671 0.3385 0.3193 -0.0141 0.0158 -0.0220 312 GLU B CG 7476 C CD . GLU B 312 ? 0.3894 0.3580 0.3380 -0.0143 0.0191 -0.0211 312 GLU B CD 7477 O OE1 . GLU B 312 ? 0.3831 0.3565 0.3366 -0.0166 0.0209 -0.0210 312 GLU B OE1 7478 O OE2 . GLU B 312 ? 0.4333 0.3945 0.3733 -0.0119 0.0201 -0.0207 312 GLU B OE2 7479 N N . PHE B 313 ? 0.2654 0.2578 0.2424 -0.0221 0.0144 -0.0228 313 PHE B N 7480 C CA . PHE B 313 ? 0.2587 0.2558 0.2417 -0.0242 0.0140 -0.0230 313 PHE B CA 7481 C C . PHE B 313 ? 0.2616 0.2597 0.2464 -0.0245 0.0116 -0.0240 313 PHE B C 7482 O O . PHE B 313 ? 0.2538 0.2544 0.2422 -0.0257 0.0104 -0.0247 313 PHE B O 7483 C CB . PHE B 313 ? 0.2459 0.2458 0.2313 -0.0256 0.0165 -0.0225 313 PHE B CB 7484 C CG . PHE B 313 ? 0.2436 0.2473 0.2337 -0.0270 0.0159 -0.0227 313 PHE B CG 7485 C CD1 . PHE B 313 ? 0.2425 0.2463 0.2328 -0.0266 0.0149 -0.0231 313 PHE B CD1 7486 C CD2 . PHE B 313 ? 0.2387 0.2447 0.2320 -0.0285 0.0164 -0.0225 313 PHE B CD2 7487 C CE1 . PHE B 313 ? 0.2399 0.2455 0.2329 -0.0277 0.0146 -0.0232 313 PHE B CE1 7488 C CE2 . PHE B 313 ? 0.2388 0.2476 0.2357 -0.0295 0.0160 -0.0226 313 PHE B CE2 7489 C CZ . PHE B 313 ? 0.2379 0.2462 0.2343 -0.0291 0.0152 -0.0230 313 PHE B CZ 7490 N N . TRP B 314 ? 0.2679 0.2639 0.2500 -0.0235 0.0113 -0.0242 314 TRP B N 7491 C CA . TRP B 314 ? 0.2728 0.2684 0.2556 -0.0241 0.0094 -0.0253 314 TRP B CA 7492 C C . TRP B 314 ? 0.2842 0.2796 0.2670 -0.0238 0.0068 -0.0269 314 TRP B C 7493 O O . TRP B 314 ? 0.2790 0.2760 0.2646 -0.0257 0.0055 -0.0283 314 TRP B O 7494 C CB . TRP B 314 ? 0.2789 0.2715 0.2578 -0.0227 0.0096 -0.0252 314 TRP B CB 7495 C CG . TRP B 314 ? 0.2754 0.2697 0.2550 -0.0225 0.0118 -0.0243 314 TRP B CG 7496 C CD1 . TRP B 314 ? 0.2796 0.2744 0.2576 -0.0211 0.0138 -0.0237 314 TRP B CD1 7497 C CD2 . TRP B 314 ? 0.2783 0.2745 0.2603 -0.0235 0.0123 -0.0242 314 TRP B CD2 7498 N NE1 . TRP B 314 ? 0.2819 0.2800 0.2620 -0.0212 0.0152 -0.0236 314 TRP B NE1 7499 C CE2 . TRP B 314 ? 0.2761 0.2747 0.2583 -0.0223 0.0141 -0.0238 314 TRP B CE2 7500 C CE3 . TRP B 314 ? 0.2730 0.2690 0.2568 -0.0254 0.0115 -0.0246 314 TRP B CE3 7501 C CZ2 . TRP B 314 ? 0.2725 0.2733 0.2563 -0.0222 0.0145 -0.0239 314 TRP B CZ2 7502 C CZ3 . TRP B 314 ? 0.2785 0.2753 0.2629 -0.0254 0.0124 -0.0243 314 TRP B CZ3 7503 C CH2 . TRP B 314 ? 0.2778 0.2770 0.2621 -0.0234 0.0136 -0.0240 314 TRP B CH2 7504 N N . GLU B 315 ? 0.2984 0.2917 0.2776 -0.0215 0.0061 -0.0271 315 GLU B N 7505 C CA . GLU B 315 ? 0.3250 0.3187 0.3039 -0.0203 0.0031 -0.0291 315 GLU B CA 7506 C C . GLU B 315 ? 0.3118 0.3099 0.2953 -0.0213 0.0024 -0.0299 315 GLU B C 7507 O O . GLU B 315 ? 0.3112 0.3127 0.2980 -0.0221 0.0003 -0.0321 315 GLU B O 7508 C CB . GLU B 315 ? 0.3515 0.3407 0.3238 -0.0167 0.0025 -0.0290 315 GLU B CB 7509 C CG . GLU B 315 ? 0.3920 0.3770 0.3596 -0.0153 0.0024 -0.0289 315 GLU B CG 7510 C CD . GLU B 315 ? 0.4318 0.4177 0.4012 -0.0166 0.0000 -0.0309 315 GLU B CD 7511 O OE1 . GLU B 315 ? 0.4822 0.4699 0.4527 -0.0162 -0.0029 -0.0334 315 GLU B OE1 7512 O OE2 . GLU B 315 ? 0.4529 0.4377 0.4223 -0.0180 0.0011 -0.0303 315 GLU B OE2 7513 N N . GLY B 316 ? 0.2958 0.2942 0.2797 -0.0214 0.0044 -0.0282 316 GLY B N 7514 C CA . GLY B 316 ? 0.2894 0.2910 0.2761 -0.0213 0.0037 -0.0289 316 GLY B CA 7515 C C . GLY B 316 ? 0.2838 0.2899 0.2766 -0.0245 0.0046 -0.0288 316 GLY B C 7516 O O . GLY B 316 ? 0.2732 0.2831 0.2694 -0.0246 0.0035 -0.0301 316 GLY B O 7517 N N . SER B 317 ? 0.2779 0.2836 0.2719 -0.0265 0.0066 -0.0275 317 SER B N 7518 C CA . SER B 317 ? 0.2682 0.2769 0.2666 -0.0289 0.0078 -0.0271 317 SER B CA 7519 C C . SER B 317 ? 0.2740 0.2856 0.2761 -0.0310 0.0068 -0.0289 317 SER B C 7520 O O . SER B 317 ? 0.2703 0.2812 0.2717 -0.0314 0.0054 -0.0304 317 SER B O 7521 C CB . SER B 317 ? 0.2603 0.2676 0.2579 -0.0298 0.0099 -0.0256 317 SER B CB 7522 O OG . SER B 317 ? 0.2639 0.2704 0.2599 -0.0288 0.0115 -0.0243 317 SER B OG 7523 N N . MET B 318 ? 0.2691 0.2838 0.2750 -0.0327 0.0075 -0.0290 318 MET B N 7524 C CA . MET B 318 ? 0.2737 0.2908 0.2830 -0.0355 0.0076 -0.0306 318 MET B CA 7525 C C . MET B 318 ? 0.2698 0.2844 0.2785 -0.0373 0.0098 -0.0291 318 MET B C 7526 O O . MET B 318 ? 0.2679 0.2836 0.2779 -0.0374 0.0110 -0.0279 318 MET B O 7527 C CB . MET B 318 ? 0.2792 0.3016 0.2929 -0.0358 0.0070 -0.0321 318 MET B CB 7528 C CG . MET B 318 ? 0.2879 0.3139 0.3058 -0.0391 0.0073 -0.0345 318 MET B CG 7529 S SD . MET B 318 ? 0.3073 0.3400 0.3305 -0.0394 0.0076 -0.0357 318 MET B SD 7530 C CE . MET B 318 ? 0.2763 0.3059 0.2988 -0.0413 0.0107 -0.0330 318 MET B CE 7531 N N . LEU B 319 ? 0.2697 0.2805 0.2757 -0.0384 0.0102 -0.0292 319 LEU B N 7532 C CA . LEU B 319 ? 0.2925 0.2996 0.2960 -0.0389 0.0120 -0.0278 319 LEU B CA 7533 C C . LEU B 319 ? 0.2955 0.3009 0.2991 -0.0421 0.0134 -0.0286 319 LEU B C 7534 O O . LEU B 319 ? 0.2961 0.2976 0.2966 -0.0422 0.0149 -0.0275 319 LEU B O 7535 C CB . LEU B 319 ? 0.2981 0.3007 0.2966 -0.0372 0.0118 -0.0271 319 LEU B CB 7536 C CG . LEU B 319 ? 0.3075 0.3112 0.3053 -0.0344 0.0111 -0.0262 319 LEU B CG 7537 C CD1 . LEU B 319 ? 0.3245 0.3244 0.3177 -0.0326 0.0111 -0.0258 319 LEU B CD1 7538 C CD2 . LEU B 319 ? 0.3030 0.3095 0.3028 -0.0337 0.0122 -0.0250 319 LEU B CD2 7539 N N . GLU B 320 ? 0.3123 0.3207 0.3193 -0.0446 0.0131 -0.0308 320 GLU B N 7540 C CA . GLU B 320 ? 0.3330 0.3402 0.3406 -0.0484 0.0151 -0.0320 320 GLU B CA 7541 C C . GLU B 320 ? 0.3173 0.3321 0.3315 -0.0500 0.0149 -0.0340 320 GLU B C 7542 O O . GLU B 320 ? 0.3060 0.3260 0.3234 -0.0483 0.0126 -0.0352 320 GLU B O 7543 C CB . GLU B 320 ? 0.3695 0.3720 0.3739 -0.0509 0.0153 -0.0336 320 GLU B CB 7544 C CG . GLU B 320 ? 0.4139 0.4073 0.4104 -0.0500 0.0164 -0.0318 320 GLU B CG 7545 C CD . GLU B 320 ? 0.4536 0.4415 0.4461 -0.0520 0.0163 -0.0334 320 GLU B CD 7546 O OE1 . GLU B 320 ? 0.4873 0.4786 0.4835 -0.0552 0.0158 -0.0362 320 GLU B OE1 7547 O OE2 . GLU B 320 ? 0.4680 0.4482 0.4532 -0.0504 0.0166 -0.0321 320 GLU B OE2 7548 N N . LYS B 321 ? 0.3159 0.3312 0.3318 -0.0531 0.0172 -0.0346 321 LYS B N 7549 C CA . LYS B 321 ? 0.3153 0.3386 0.3378 -0.0549 0.0173 -0.0372 321 LYS B CA 7550 C C . LYS B 321 ? 0.3246 0.3513 0.3500 -0.0573 0.0161 -0.0408 321 LYS B C 7551 O O . LYS B 321 ? 0.3150 0.3366 0.3374 -0.0606 0.0175 -0.0417 321 LYS B O 7552 C CB . LYS B 321 ? 0.3112 0.3338 0.3344 -0.0580 0.0207 -0.0372 321 LYS B CB 7553 C CG . LYS B 321 ? 0.3119 0.3438 0.3423 -0.0594 0.0209 -0.0398 321 LYS B CG 7554 C CD . LYS B 321 ? 0.3243 0.3549 0.3547 -0.0625 0.0247 -0.0396 321 LYS B CD 7555 C CE . LYS B 321 ? 0.3180 0.3584 0.3555 -0.0624 0.0247 -0.0416 321 LYS B CE 7556 N NZ . LYS B 321 ? 0.3353 0.3738 0.3722 -0.0653 0.0288 -0.0412 321 LYS B NZ 7557 N N . PRO B 322 ? 0.3383 0.3731 0.3689 -0.0555 0.0134 -0.0432 322 PRO B N 7558 C CA . PRO B 322 ? 0.3831 0.4222 0.4168 -0.0572 0.0116 -0.0472 322 PRO B CA 7559 C C . PRO B 322 ? 0.4186 0.4602 0.4559 -0.0633 0.0143 -0.0504 322 PRO B C 7560 O O . PRO B 322 ? 0.4258 0.4706 0.4663 -0.0653 0.0168 -0.0507 322 PRO B O 7561 C CB . PRO B 322 ? 0.3722 0.4201 0.4105 -0.0532 0.0083 -0.0491 322 PRO B CB 7562 C CG . PRO B 322 ? 0.3451 0.3899 0.3801 -0.0489 0.0080 -0.0451 322 PRO B CG 7563 C CD . PRO B 322 ? 0.3335 0.3736 0.3666 -0.0514 0.0116 -0.0425 322 PRO B CD 7564 N N . ALA B 323 ? 0.4706 0.5104 0.5072 -0.0664 0.0141 -0.0530 323 ALA B N 7565 C CA . ALA B 323 ? 0.5479 0.5886 0.5871 -0.0733 0.0172 -0.0563 323 ALA B CA 7566 C C . ALA B 323 ? 0.5694 0.6236 0.6185 -0.0751 0.0158 -0.0620 323 ALA B C 7567 O O . ALA B 323 ? 0.6079 0.6656 0.6610 -0.0810 0.0190 -0.0651 323 ALA B O 7568 C CB . ALA B 323 ? 0.5410 0.5723 0.5739 -0.0762 0.0179 -0.0565 323 ALA B CB 7569 N N . ASP B 324 ? 0.5920 0.6536 0.6444 -0.0700 0.0112 -0.0634 324 ASP B N 7570 C CA . ASP B 324 ? 0.6032 0.6788 0.6650 -0.0701 0.0092 -0.0690 324 ASP B CA 7571 C C . ASP B 324 ? 0.6133 0.6955 0.6800 -0.0701 0.0113 -0.0689 324 ASP B C 7572 O O . ASP B 324 ? 0.6457 0.7212 0.7085 -0.0708 0.0146 -0.0648 324 ASP B O 7573 C CB . ASP B 324 ? 0.5915 0.6717 0.6536 -0.0635 0.0035 -0.0703 324 ASP B CB 7574 C CG . ASP B 324 ? 0.6082 0.6836 0.6649 -0.0567 0.0019 -0.0654 324 ASP B CG 7575 O OD1 . ASP B 324 ? 0.5921 0.6640 0.6471 -0.0567 0.0047 -0.0617 324 ASP B OD1 7576 O OD2 . ASP B 324 ? 0.6065 0.6815 0.6604 -0.0513 -0.0019 -0.0653 324 ASP B OD2 7577 N N . GLY B 325 ? 0.6126 0.7082 0.6876 -0.0688 0.0092 -0.0737 325 GLY B N 7578 C CA . GLY B 325 ? 0.6281 0.7310 0.7080 -0.0680 0.0108 -0.0741 325 GLY B CA 7579 C C . GLY B 325 ? 0.6208 0.7194 0.6958 -0.0614 0.0095 -0.0691 325 GLY B C 7580 O O . GLY B 325 ? 0.6427 0.7443 0.7198 -0.0610 0.0114 -0.0683 325 GLY B O 7581 N N . ARG B 326 ? 0.5759 0.6672 0.6443 -0.0566 0.0065 -0.0659 326 ARG B N 7582 C CA . ARG B 326 ? 0.5467 0.6345 0.6105 -0.0501 0.0046 -0.0621 326 ARG B CA 7583 C C . ARG B 326 ? 0.5245 0.6078 0.5860 -0.0505 0.0079 -0.0580 326 ARG B C 7584 O O . ARG B 326 ? 0.5558 0.6306 0.6132 -0.0536 0.0110 -0.0547 326 ARG B O 7585 C CB . ARG B 326 ? 0.5424 0.6209 0.5986 -0.0470 0.0025 -0.0590 326 ARG B CB 7586 C CG . ARG B 326 ? 0.5367 0.6163 0.5901 -0.0398 -0.0016 -0.0590 326 ARG B CG 7587 C CD . ARG B 326 ? 0.5409 0.6097 0.5859 -0.0373 -0.0022 -0.0548 326 ARG B CD 7588 N NE . ARG B 326 ? 0.5608 0.6251 0.6038 -0.0403 -0.0020 -0.0550 326 ARG B NE 7589 C CZ . ARG B 326 ? 0.5709 0.6260 0.6071 -0.0391 -0.0019 -0.0516 326 ARG B CZ 7590 N NH1 . ARG B 326 ? 0.5444 0.5943 0.5756 -0.0354 -0.0017 -0.0479 326 ARG B NH1 7591 N NH2 . ARG B 326 ? 0.5857 0.6370 0.6201 -0.0416 -0.0017 -0.0521 326 ARG B NH2 7592 N N . GLU B 327 ? 0.4810 0.5697 0.5447 -0.0469 0.0070 -0.0584 327 GLU B N 7593 C CA . GLU B 327 ? 0.4496 0.5340 0.5106 -0.0461 0.0094 -0.0546 327 GLU B CA 7594 C C . GLU B 327 ? 0.4085 0.4835 0.4617 -0.0419 0.0079 -0.0501 327 GLU B C 7595 O O . GLU B 327 ? 0.3985 0.4737 0.4494 -0.0372 0.0045 -0.0505 327 GLU B O 7596 C CB . GLU B 327 ? 0.4746 0.5682 0.5403 -0.0435 0.0088 -0.0570 327 GLU B CB 7597 C CG . GLU B 327 ? 0.5324 0.6245 0.5982 -0.0453 0.0124 -0.0548 327 GLU B CG 7598 C CD . GLU B 327 ? 0.5410 0.6390 0.6129 -0.0513 0.0162 -0.0578 327 GLU B CD 7599 O OE1 . GLU B 327 ? 0.5679 0.6775 0.6471 -0.0516 0.0153 -0.0628 327 GLU B OE1 7600 O OE2 . GLU B 327 ? 0.5338 0.6249 0.6030 -0.0555 0.0201 -0.0553 327 GLU B OE2 7601 N N . VAL B 328 ? 0.3544 0.4213 0.4034 -0.0435 0.0105 -0.0460 328 VAL B N 7602 C CA . VAL B 328 ? 0.3187 0.3775 0.3610 -0.0404 0.0096 -0.0421 328 VAL B CA 7603 C C . VAL B 328 ? 0.2902 0.3452 0.3303 -0.0401 0.0117 -0.0389 328 VAL B C 7604 O O . VAL B 328 ? 0.2677 0.3239 0.3099 -0.0428 0.0143 -0.0390 328 VAL B O 7605 C CB . VAL B 328 ? 0.3227 0.3746 0.3611 -0.0420 0.0099 -0.0405 328 VAL B CB 7606 C CG1 . VAL B 328 ? 0.3369 0.3915 0.3765 -0.0418 0.0075 -0.0434 328 VAL B CG1 7607 C CG2 . VAL B 328 ? 0.3267 0.3747 0.3645 -0.0465 0.0133 -0.0394 328 VAL B CG2 7608 N N . VAL B 329 ? 0.2698 0.3199 0.3052 -0.0369 0.0107 -0.0364 329 VAL B N 7609 C CA . VAL B 329 ? 0.2530 0.2984 0.2857 -0.0371 0.0126 -0.0334 329 VAL B CA 7610 C C . VAL B 329 ? 0.2532 0.2931 0.2834 -0.0396 0.0140 -0.0317 329 VAL B C 7611 O O . VAL B 329 ? 0.2582 0.2947 0.2855 -0.0386 0.0130 -0.0308 329 VAL B O 7612 C CB . VAL B 329 ? 0.2464 0.2883 0.2749 -0.0335 0.0114 -0.0317 329 VAL B CB 7613 C CG1 . VAL B 329 ? 0.2350 0.2727 0.2613 -0.0343 0.0132 -0.0291 329 VAL B CG1 7614 C CG2 . VAL B 329 ? 0.2470 0.2932 0.2764 -0.0303 0.0097 -0.0334 329 VAL B CG2 7615 N N . CYS B 330 ? 0.2547 0.2934 0.2854 -0.0424 0.0164 -0.0313 330 CYS B N 7616 C CA . CYS B 330 ? 0.2660 0.2988 0.2932 -0.0440 0.0176 -0.0299 330 CYS B CA 7617 C C . CYS B 330 ? 0.2536 0.2820 0.2771 -0.0421 0.0177 -0.0273 330 CYS B C 7618 O O . CYS B 330 ? 0.2537 0.2781 0.2741 -0.0418 0.0177 -0.0263 330 CYS B O 7619 C CB . CYS B 330 ? 0.2860 0.3173 0.3132 -0.0475 0.0203 -0.0305 330 CYS B CB 7620 S SG . CYS B 330 ? 0.3402 0.3722 0.3688 -0.0509 0.0205 -0.0332 330 CYS B SG 7621 N N . HIS B 331 ? 0.2343 0.2639 0.2583 -0.0407 0.0178 -0.0265 331 HIS B N 7622 C CA . HIS B 331 ? 0.2228 0.2491 0.2440 -0.0394 0.0179 -0.0247 331 HIS B CA 7623 C C . HIS B 331 ? 0.2188 0.2435 0.2381 -0.0381 0.0167 -0.0242 331 HIS B C 7624 O O . HIS B 331 ? 0.2219 0.2479 0.2415 -0.0370 0.0154 -0.0247 331 HIS B O 7625 C CB . HIS B 331 ? 0.2190 0.2467 0.2407 -0.0381 0.0179 -0.0243 331 HIS B CB 7626 C CG . HIS B 331 ? 0.2208 0.2457 0.2403 -0.0375 0.0183 -0.0230 331 HIS B CG 7627 N ND1 . HIS B 331 ? 0.2211 0.2447 0.2397 -0.0378 0.0195 -0.0226 331 HIS B ND1 7628 C CD2 . HIS B 331 ? 0.2190 0.2423 0.2368 -0.0366 0.0177 -0.0223 331 HIS B CD2 7629 C CE1 . HIS B 331 ? 0.2216 0.2435 0.2384 -0.0368 0.0192 -0.0218 331 HIS B CE1 7630 N NE2 . HIS B 331 ? 0.2202 0.2423 0.2369 -0.0364 0.0183 -0.0218 331 HIS B NE2 7631 N N . ALA B 332 ? 0.2157 0.2375 0.2327 -0.0381 0.0171 -0.0233 332 ALA B N 7632 C CA . ALA B 332 ? 0.2078 0.2284 0.2232 -0.0372 0.0164 -0.0230 332 ALA B CA 7633 C C . ALA B 332 ? 0.2075 0.2285 0.2225 -0.0361 0.0160 -0.0226 332 ALA B C 7634 O O . ALA B 332 ? 0.1985 0.2199 0.2138 -0.0360 0.0164 -0.0223 332 ALA B O 7635 C CB . ALA B 332 ? 0.2104 0.2286 0.2235 -0.0369 0.0169 -0.0225 332 ALA B CB 7636 N N . SER B 333 ? 0.2054 0.2255 0.2189 -0.0354 0.0155 -0.0227 333 SER B N 7637 C CA . SER B 333 ? 0.2034 0.2223 0.2152 -0.0347 0.0158 -0.0222 333 SER B CA 7638 C C . SER B 333 ? 0.2036 0.2207 0.2131 -0.0342 0.0159 -0.0221 333 SER B C 7639 O O . SER B 333 ? 0.1962 0.2130 0.2054 -0.0339 0.0152 -0.0225 333 SER B O 7640 C CB . SER B 333 ? 0.2025 0.2212 0.2137 -0.0336 0.0150 -0.0226 333 SER B CB 7641 O OG . SER B 333 ? 0.2121 0.2323 0.2241 -0.0328 0.0136 -0.0236 333 SER B OG 7642 N N . ALA B 334 ? 0.2078 0.2234 0.2155 -0.0344 0.0172 -0.0218 334 ALA B N 7643 C CA . ALA B 334 ? 0.2146 0.2282 0.2197 -0.0342 0.0179 -0.0217 334 ALA B CA 7644 C C . ALA B 334 ? 0.2285 0.2379 0.2293 -0.0335 0.0185 -0.0214 334 ALA B C 7645 O O . ALA B 334 ? 0.2245 0.2324 0.2242 -0.0343 0.0196 -0.0212 334 ALA B O 7646 C CB . ALA B 334 ? 0.2231 0.2386 0.2294 -0.0353 0.0195 -0.0219 334 ALA B CB 7647 N N . TRP B 335 ? 0.2289 0.2356 0.2263 -0.0320 0.0179 -0.0214 335 TRP B N 7648 C CA . TRP B 335 ? 0.2477 0.2491 0.2394 -0.0303 0.0179 -0.0212 335 TRP B CA 7649 C C . TRP B 335 ? 0.2609 0.2572 0.2472 -0.0303 0.0200 -0.0208 335 TRP B C 7650 O O . TRP B 335 ? 0.2491 0.2458 0.2352 -0.0301 0.0202 -0.0208 335 TRP B O 7651 C CB . TRP B 335 ? 0.2459 0.2478 0.2371 -0.0277 0.0150 -0.0221 335 TRP B CB 7652 C CG . TRP B 335 ? 0.2510 0.2580 0.2473 -0.0278 0.0134 -0.0229 335 TRP B CG 7653 C CD1 . TRP B 335 ? 0.2459 0.2573 0.2476 -0.0298 0.0134 -0.0230 335 TRP B CD1 7654 C CD2 . TRP B 335 ? 0.2568 0.2646 0.2528 -0.0258 0.0117 -0.0238 335 TRP B CD2 7655 N NE1 . TRP B 335 ? 0.2452 0.2600 0.2501 -0.0297 0.0122 -0.0239 335 TRP B NE1 7656 C CE2 . TRP B 335 ? 0.2518 0.2653 0.2539 -0.0272 0.0111 -0.0245 335 TRP B CE2 7657 C CE3 . TRP B 335 ? 0.2685 0.2725 0.2591 -0.0226 0.0106 -0.0242 335 TRP B CE3 7658 C CZ2 . TRP B 335 ? 0.2559 0.2726 0.2599 -0.0258 0.0096 -0.0258 335 TRP B CZ2 7659 C CZ3 . TRP B 335 ? 0.2736 0.2808 0.2658 -0.0205 0.0087 -0.0255 335 TRP B CZ3 7660 C CH2 . TRP B 335 ? 0.2686 0.2828 0.2680 -0.0223 0.0082 -0.0264 335 TRP B CH2 7661 N N . ASP B 336 ? 0.2676 0.2585 0.2487 -0.0307 0.0219 -0.0203 336 ASP B N 7662 C CA . ASP B 336 ? 0.2893 0.2734 0.2634 -0.0307 0.0245 -0.0199 336 ASP B CA 7663 C C . ASP B 336 ? 0.3059 0.2824 0.2717 -0.0272 0.0233 -0.0196 336 ASP B C 7664 O O . ASP B 336 ? 0.3018 0.2756 0.2652 -0.0264 0.0229 -0.0196 336 ASP B O 7665 C CB . ASP B 336 ? 0.2962 0.2786 0.2696 -0.0344 0.0282 -0.0198 336 ASP B CB 7666 C CG . ASP B 336 ? 0.3176 0.2935 0.2844 -0.0356 0.0319 -0.0195 336 ASP B CG 7667 O OD1 . ASP B 336 ? 0.3364 0.3065 0.2966 -0.0328 0.0315 -0.0190 336 ASP B OD1 7668 O OD2 . ASP B 336 ? 0.3353 0.3121 0.3035 -0.0394 0.0353 -0.0201 336 ASP B OD2 7669 N N . PHE B 337 ? 0.3269 0.2997 0.2877 -0.0245 0.0225 -0.0196 337 PHE B N 7670 C CA . PHE B 337 ? 0.3563 0.3218 0.3084 -0.0202 0.0209 -0.0198 337 PHE B CA 7671 C C . PHE B 337 ? 0.3865 0.3404 0.3274 -0.0202 0.0245 -0.0188 337 PHE B C 7672 O O . PHE B 337 ? 0.4056 0.3514 0.3371 -0.0160 0.0235 -0.0187 337 PHE B O 7673 C CB . PHE B 337 ? 0.3537 0.3205 0.3052 -0.0167 0.0178 -0.0206 337 PHE B CB 7674 C CG . PHE B 337 ? 0.3345 0.3106 0.2948 -0.0162 0.0140 -0.0220 337 PHE B CG 7675 C CD1 . PHE B 337 ? 0.3229 0.3066 0.2922 -0.0196 0.0143 -0.0221 337 PHE B CD1 7676 C CD2 . PHE B 337 ? 0.3360 0.3132 0.2952 -0.0122 0.0103 -0.0236 337 PHE B CD2 7677 C CE1 . PHE B 337 ? 0.3120 0.3031 0.2884 -0.0197 0.0115 -0.0234 337 PHE B CE1 7678 C CE2 . PHE B 337 ? 0.3235 0.3097 0.2911 -0.0124 0.0075 -0.0253 337 PHE B CE2 7679 C CZ . PHE B 337 ? 0.3160 0.3085 0.2919 -0.0165 0.0083 -0.0250 337 PHE B CZ 7680 N N . TYR B 338 ? 0.4214 0.3745 0.3632 -0.0248 0.0287 -0.0182 338 TYR B N 7681 C CA . TYR B 338 ? 0.4543 0.3961 0.3857 -0.0262 0.0331 -0.0174 338 TYR B CA 7682 C C . TYR B 338 ? 0.4769 0.4090 0.3974 -0.0231 0.0342 -0.0169 338 TYR B C 7683 O O . TYR B 338 ? 0.5010 0.4208 0.4095 -0.0224 0.0369 -0.0162 338 TYR B O 7684 C CB . TYR B 338 ? 0.4715 0.4071 0.3975 -0.0255 0.0332 -0.0172 338 TYR B CB 7685 C CG . TYR B 338 ? 0.4871 0.4309 0.4227 -0.0290 0.0330 -0.0177 338 TYR B CG 7686 C CD1 . TYR B 338 ? 0.5022 0.4470 0.4405 -0.0346 0.0371 -0.0179 338 TYR B CD1 7687 C CD2 . TYR B 338 ? 0.4961 0.4470 0.4381 -0.0267 0.0288 -0.0182 338 TYR B CD2 7688 C CE1 . TYR B 338 ? 0.5242 0.4764 0.4708 -0.0374 0.0365 -0.0186 338 TYR B CE1 7689 C CE2 . TYR B 338 ? 0.5029 0.4606 0.4528 -0.0296 0.0287 -0.0185 338 TYR B CE2 7690 C CZ . TYR B 338 ? 0.5130 0.4710 0.4649 -0.0347 0.0324 -0.0187 338 TYR B CZ 7691 O OH . TYR B 338 ? 0.5414 0.5059 0.5006 -0.0371 0.0320 -0.0192 338 TYR B OH 7692 N N . ASN B 339 ? 0.4768 0.4136 0.4006 -0.0213 0.0321 -0.0173 339 ASN B N 7693 C CA . ASN B 339 ? 0.4799 0.4086 0.3942 -0.0186 0.0332 -0.0168 339 ASN B CA 7694 C C . ASN B 339 ? 0.4915 0.4236 0.4094 -0.0221 0.0366 -0.0167 339 ASN B C 7695 O O . ASN B 339 ? 0.4683 0.3948 0.3794 -0.0201 0.0376 -0.0164 339 ASN B O 7696 C CB . ASN B 339 ? 0.4767 0.4059 0.3892 -0.0126 0.0278 -0.0176 339 ASN B CB 7697 C CG . ASN B 339 ? 0.4688 0.4103 0.3932 -0.0131 0.0244 -0.0186 339 ASN B CG 7698 O OD1 . ASN B 339 ? 0.4706 0.4198 0.4040 -0.0173 0.0260 -0.0185 339 ASN B OD1 7699 N ND2 . ASN B 339 ? 0.4512 0.3943 0.3752 -0.0086 0.0198 -0.0198 339 ASN B ND2 7700 N N . ARG B 340 ? 0.4822 0.4234 0.4103 -0.0269 0.0383 -0.0172 340 ARG B N 7701 C CA . ARG B 340 ? 0.5025 0.4494 0.4358 -0.0302 0.0413 -0.0176 340 ARG B CA 7702 C C . ARG B 340 ? 0.4795 0.4319 0.4168 -0.0274 0.0381 -0.0179 340 ARG B C 7703 O O . ARG B 340 ? 0.4774 0.4331 0.4169 -0.0289 0.0404 -0.0183 340 ARG B O 7704 C CB . ARG B 340 ? 0.5462 0.4841 0.4706 -0.0326 0.0473 -0.0173 340 ARG B CB 7705 C CG . ARG B 340 ? 0.6153 0.5453 0.5337 -0.0357 0.0512 -0.0170 340 ARG B CG 7706 C CD . ARG B 340 ? 0.7081 0.6299 0.6184 -0.0390 0.0579 -0.0170 340 ARG B CD 7707 N NE . ARG B 340 ? 0.8134 0.7208 0.7110 -0.0398 0.0612 -0.0161 340 ARG B NE 7708 C CZ . ARG B 340 ? 0.8567 0.7608 0.7527 -0.0457 0.0666 -0.0168 340 ARG B CZ 7709 N NH1 . ARG B 340 ? 0.8660 0.7815 0.7734 -0.0514 0.0693 -0.0186 340 ARG B NH1 7710 N NH2 . ARG B 340 ? 0.8857 0.7747 0.7683 -0.0458 0.0694 -0.0159 340 ARG B NH2 7711 N N . LYS B 341 ? 0.4610 0.4147 0.3991 -0.0236 0.0330 -0.0181 341 LYS B N 7712 C CA . LYS B 341 ? 0.4560 0.4135 0.3966 -0.0210 0.0298 -0.0186 341 LYS B CA 7713 C C . LYS B 341 ? 0.4249 0.3913 0.3748 -0.0208 0.0255 -0.0194 341 LYS B C 7714 O O . LYS B 341 ? 0.3971 0.3697 0.3530 -0.0216 0.0246 -0.0198 341 LYS B O 7715 C CB . LYS B 341 ? 0.4879 0.4368 0.4186 -0.0161 0.0279 -0.0185 341 LYS B CB 7716 C CG . LYS B 341 ? 0.5413 0.4808 0.4618 -0.0157 0.0321 -0.0176 341 LYS B CG 7717 C CD . LYS B 341 ? 0.5592 0.5021 0.4819 -0.0160 0.0330 -0.0178 341 LYS B CD 7718 C CE . LYS B 341 ? 0.6002 0.5345 0.5137 -0.0166 0.0383 -0.0170 341 LYS B CE 7719 N NZ . LYS B 341 ? 0.5903 0.5287 0.5064 -0.0166 0.0392 -0.0173 341 LYS B NZ 7720 N N . ASP B 342 ? 0.4005 0.3669 0.3509 -0.0196 0.0231 -0.0197 342 ASP B N 7721 C CA . ASP B 342 ? 0.3884 0.3625 0.3469 -0.0197 0.0194 -0.0206 342 ASP B CA 7722 C C . ASP B 342 ? 0.3491 0.3291 0.3150 -0.0232 0.0206 -0.0204 342 ASP B C 7723 O O . ASP B 342 ? 0.3417 0.3194 0.3059 -0.0244 0.0223 -0.0200 342 ASP B O 7724 C CB . ASP B 342 ? 0.4122 0.3849 0.3682 -0.0161 0.0157 -0.0216 342 ASP B CB 7725 C CG . ASP B 342 ? 0.4484 0.4172 0.3986 -0.0122 0.0134 -0.0224 342 ASP B CG 7726 O OD1 . ASP B 342 ? 0.4492 0.4226 0.4037 -0.0120 0.0111 -0.0234 342 ASP B OD1 7727 O OD2 . ASP B 342 ? 0.4652 0.4257 0.4058 -0.0091 0.0139 -0.0221 342 ASP B OD2 7728 N N . PHE B 343 ? 0.3122 0.2990 0.2851 -0.0247 0.0198 -0.0209 343 PHE B N 7729 C CA . PHE B 343 ? 0.2816 0.2743 0.2614 -0.0273 0.0202 -0.0209 343 PHE B CA 7730 C C . PHE B 343 ? 0.2667 0.2643 0.2517 -0.0271 0.0174 -0.0217 343 PHE B C 7731 O O . PHE B 343 ? 0.2510 0.2486 0.2355 -0.0262 0.0165 -0.0220 343 PHE B O 7732 C CB . PHE B 343 ? 0.2825 0.2775 0.2643 -0.0297 0.0233 -0.0208 343 PHE B CB 7733 C CG . PHE B 343 ? 0.2843 0.2741 0.2606 -0.0306 0.0269 -0.0204 343 PHE B CG 7734 C CD1 . PHE B 343 ? 0.2899 0.2779 0.2653 -0.0328 0.0291 -0.0203 343 PHE B CD1 7735 C CD2 . PHE B 343 ? 0.2946 0.2806 0.2659 -0.0294 0.0282 -0.0203 343 PHE B CD2 7736 C CE1 . PHE B 343 ? 0.2946 0.2768 0.2641 -0.0343 0.0330 -0.0201 343 PHE B CE1 7737 C CE2 . PHE B 343 ? 0.3045 0.2849 0.2700 -0.0307 0.0322 -0.0199 343 PHE B CE2 7738 C CZ . PHE B 343 ? 0.2966 0.2749 0.2611 -0.0333 0.0348 -0.0199 343 PHE B CZ 7739 N N . ARG B 344 ? 0.2589 0.2598 0.2481 -0.0279 0.0163 -0.0219 344 ARG B N 7740 C CA . ARG B 344 ? 0.2496 0.2542 0.2429 -0.0281 0.0141 -0.0227 344 ARG B CA 7741 C C . ARG B 344 ? 0.2342 0.2426 0.2324 -0.0300 0.0145 -0.0227 344 ARG B C 7742 O O . ARG B 344 ? 0.2296 0.2383 0.2284 -0.0307 0.0155 -0.0222 344 ARG B O 7743 C CB . ARG B 344 ? 0.2689 0.2734 0.2616 -0.0264 0.0115 -0.0239 344 ARG B CB 7744 C CG . ARG B 344 ? 0.2868 0.2872 0.2740 -0.0237 0.0104 -0.0243 344 ARG B CG 7745 C CD . ARG B 344 ? 0.3051 0.3071 0.2926 -0.0216 0.0073 -0.0262 344 ARG B CD 7746 N NE . ARG B 344 ? 0.3282 0.3256 0.3093 -0.0184 0.0061 -0.0267 344 ARG B NE 7747 C CZ . ARG B 344 ? 0.3486 0.3465 0.3282 -0.0154 0.0030 -0.0287 344 ARG B CZ 7748 N NH1 . ARG B 344 ? 0.3367 0.3407 0.3217 -0.0156 0.0009 -0.0306 344 ARG B NH1 7749 N NH2 . ARG B 344 ? 0.3551 0.3478 0.3278 -0.0120 0.0020 -0.0290 344 ARG B NH2 7750 N N . ILE B 345 ? 0.2320 0.2423 0.2327 -0.0308 0.0137 -0.0231 345 ILE B N 7751 C CA . ILE B 345 ? 0.2190 0.2320 0.2233 -0.0322 0.0138 -0.0232 345 ILE B CA 7752 C C . ILE B 345 ? 0.2258 0.2402 0.2321 -0.0327 0.0123 -0.0243 345 ILE B C 7753 O O . ILE B 345 ? 0.2229 0.2366 0.2282 -0.0324 0.0111 -0.0253 345 ILE B O 7754 C CB . ILE B 345 ? 0.2103 0.2237 0.2151 -0.0328 0.0147 -0.0229 345 ILE B CB 7755 C CG1 . ILE B 345 ? 0.2100 0.2244 0.2147 -0.0326 0.0162 -0.0224 345 ILE B CG1 7756 C CG2 . ILE B 345 ? 0.2082 0.2226 0.2151 -0.0339 0.0147 -0.0230 345 ILE B CG2 7757 C CD1 . ILE B 345 ? 0.2081 0.2234 0.2126 -0.0320 0.0167 -0.0227 345 ILE B CD1 7758 N N . LYS B 346 ? 0.2267 0.2434 0.2357 -0.0335 0.0125 -0.0245 346 LYS B N 7759 C CA . LYS B 346 ? 0.2350 0.2543 0.2468 -0.0346 0.0117 -0.0259 346 LYS B CA 7760 C C . LYS B 346 ? 0.2391 0.2587 0.2525 -0.0365 0.0131 -0.0254 346 LYS B C 7761 O O . LYS B 346 ? 0.2349 0.2555 0.2494 -0.0365 0.0139 -0.0248 346 LYS B O 7762 C CB . LYS B 346 ? 0.2366 0.2584 0.2496 -0.0333 0.0106 -0.0267 346 LYS B CB 7763 C CG . LYS B 346 ? 0.2364 0.2628 0.2536 -0.0344 0.0100 -0.0287 346 LYS B CG 7764 C CD . LYS B 346 ? 0.2403 0.2697 0.2588 -0.0328 0.0093 -0.0294 346 LYS B CD 7765 C CE . LYS B 346 ? 0.2464 0.2746 0.2646 -0.0331 0.0110 -0.0276 346 LYS B CE 7766 N NZ . LYS B 346 ? 0.2413 0.2694 0.2613 -0.0358 0.0127 -0.0270 346 LYS B NZ 7767 N N . GLN B 347 ? 0.2425 0.2603 0.2551 -0.0379 0.0136 -0.0258 347 GLN B N 7768 C CA . GLN B 347 ? 0.2428 0.2589 0.2549 -0.0393 0.0151 -0.0252 347 GLN B CA 7769 C C . GLN B 347 ? 0.2483 0.2629 0.2602 -0.0417 0.0157 -0.0265 347 GLN B C 7770 O O . GLN B 347 ? 0.2407 0.2532 0.2508 -0.0420 0.0150 -0.0272 347 GLN B O 7771 C CB . GLN B 347 ? 0.2461 0.2590 0.2548 -0.0379 0.0156 -0.0240 347 GLN B CB 7772 C CG . GLN B 347 ? 0.2437 0.2537 0.2502 -0.0382 0.0169 -0.0235 347 GLN B CG 7773 C CD . GLN B 347 ? 0.2399 0.2481 0.2434 -0.0359 0.0169 -0.0228 347 GLN B CD 7774 O OE1 . GLN B 347 ? 0.2487 0.2591 0.2529 -0.0345 0.0163 -0.0227 347 GLN B OE1 7775 N NE2 . GLN B 347 ? 0.2350 0.2393 0.2347 -0.0353 0.0176 -0.0226 347 GLN B NE2 7776 N N . CYS B 348 ? 0.2450 0.2603 0.2584 -0.0437 0.0172 -0.0270 348 CYS B N 7777 C CA . CYS B 348 ? 0.2601 0.2732 0.2729 -0.0469 0.0186 -0.0283 348 CYS B CA 7778 C C . CYS B 348 ? 0.2609 0.2664 0.2674 -0.0469 0.0201 -0.0270 348 CYS B C 7779 O O . CYS B 348 ? 0.2605 0.2629 0.2648 -0.0480 0.0222 -0.0266 348 CYS B O 7780 C CB . CYS B 348 ? 0.2637 0.2810 0.2806 -0.0491 0.0201 -0.0295 348 CYS B CB 7781 S SG . CYS B 348 ? 0.2856 0.3122 0.3094 -0.0485 0.0180 -0.0319 348 CYS B SG 7782 N N . THR B 349 ? 0.2497 0.2518 0.2525 -0.0451 0.0191 -0.0264 349 THR B N 7783 C CA . THR B 349 ? 0.2571 0.2527 0.2535 -0.0432 0.0197 -0.0252 349 THR B CA 7784 C C . THR B 349 ? 0.2650 0.2531 0.2559 -0.0455 0.0219 -0.0255 349 THR B C 7785 O O . THR B 349 ? 0.2719 0.2580 0.2622 -0.0485 0.0225 -0.0269 349 THR B O 7786 C CB . THR B 349 ? 0.2529 0.2472 0.2468 -0.0406 0.0181 -0.0248 349 THR B CB 7787 O OG1 . THR B 349 ? 0.2418 0.2422 0.2402 -0.0392 0.0166 -0.0247 349 THR B OG1 7788 C CG2 . THR B 349 ? 0.2560 0.2457 0.2441 -0.0375 0.0183 -0.0238 349 THR B CG2 7789 N N . ARG B 350 ? 0.2670 0.2503 0.2531 -0.0442 0.0232 -0.0244 350 ARG B N 7790 C CA . ARG B 350 ? 0.2907 0.2645 0.2691 -0.0458 0.0256 -0.0244 350 ARG B CA 7791 C C . ARG B 350 ? 0.2969 0.2637 0.2670 -0.0414 0.0248 -0.0234 350 ARG B C 7792 O O . ARG B 350 ? 0.2879 0.2587 0.2594 -0.0375 0.0229 -0.0228 350 ARG B O 7793 C CB . ARG B 350 ? 0.2905 0.2630 0.2684 -0.0472 0.0280 -0.0241 350 ARG B CB 7794 C CG . ARG B 350 ? 0.3006 0.2791 0.2856 -0.0518 0.0295 -0.0256 350 ARG B CG 7795 C CD . ARG B 350 ? 0.3125 0.2910 0.2977 -0.0524 0.0316 -0.0251 350 ARG B CD 7796 N NE . ARG B 350 ? 0.3136 0.2972 0.3018 -0.0485 0.0295 -0.0238 350 ARG B NE 7797 C CZ . ARG B 350 ? 0.3254 0.3048 0.3083 -0.0450 0.0293 -0.0225 350 ARG B CZ 7798 N NH1 . ARG B 350 ? 0.3525 0.3217 0.3260 -0.0441 0.0308 -0.0219 350 ARG B NH1 7799 N NH2 . ARG B 350 ? 0.3337 0.3187 0.3203 -0.0421 0.0273 -0.0219 350 ARG B NH2 7800 N N . VAL B 351 ? 0.2986 0.2552 0.2600 -0.0422 0.0263 -0.0235 351 VAL B N 7801 C CA . VAL B 351 ? 0.3138 0.2629 0.2662 -0.0376 0.0254 -0.0229 351 VAL B CA 7802 C C . VAL B 351 ? 0.3245 0.2675 0.2697 -0.0345 0.0264 -0.0220 351 VAL B C 7803 O O . VAL B 351 ? 0.3448 0.2767 0.2806 -0.0354 0.0289 -0.0217 351 VAL B O 7804 C CB . VAL B 351 ? 0.3257 0.2656 0.2706 -0.0391 0.0262 -0.0235 351 VAL B CB 7805 C CG1 . VAL B 351 ? 0.3320 0.2644 0.2671 -0.0333 0.0249 -0.0229 351 VAL B CG1 7806 C CG2 . VAL B 351 ? 0.3195 0.2664 0.2719 -0.0415 0.0247 -0.0246 351 VAL B CG2 7807 N N . THR B 352 ? 0.3172 0.2675 0.2668 -0.0309 0.0245 -0.0216 352 THR B N 7808 C CA . THR B 352 ? 0.3137 0.2598 0.2572 -0.0268 0.0245 -0.0211 352 THR B CA 7809 C C . THR B 352 ? 0.3065 0.2600 0.2531 -0.0216 0.0214 -0.0216 352 THR B C 7810 O O . THR B 352 ? 0.2872 0.2497 0.2418 -0.0220 0.0198 -0.0220 352 THR B O 7811 C CB . THR B 352 ? 0.3136 0.2625 0.2610 -0.0292 0.0261 -0.0208 352 THR B CB 7812 O OG1 . THR B 352 ? 0.2863 0.2477 0.2451 -0.0296 0.0243 -0.0210 352 THR B OG1 7813 C CG2 . THR B 352 ? 0.3171 0.2613 0.2638 -0.0352 0.0296 -0.0208 352 THR B CG2 7814 N N . MET B 353 ? 0.3166 0.2664 0.2566 -0.0166 0.0206 -0.0217 353 MET B N 7815 C CA . MET B 353 ? 0.3309 0.2888 0.2743 -0.0117 0.0176 -0.0228 353 MET B CA 7816 C C . MET B 353 ? 0.3218 0.2916 0.2770 -0.0139 0.0170 -0.0231 353 MET B C 7817 O O . MET B 353 ? 0.3055 0.2843 0.2676 -0.0133 0.0154 -0.0239 353 MET B O 7818 C CB . MET B 353 ? 0.3533 0.3051 0.2872 -0.0055 0.0166 -0.0234 353 MET B CB 7819 C CG . MET B 353 ? 0.3680 0.3289 0.3054 -0.0001 0.0133 -0.0254 353 MET B CG 7820 S SD . MET B 353 ? 0.4245 0.3773 0.3492 0.0079 0.0117 -0.0265 353 MET B SD 7821 C CE . MET B 353 ? 0.4052 0.3723 0.3369 0.0135 0.0078 -0.0297 353 MET B CE 7822 N N . ASP B 354 ? 0.3204 0.2896 0.2772 -0.0165 0.0185 -0.0224 354 ASP B N 7823 C CA . ASP B 354 ? 0.3079 0.2871 0.2746 -0.0184 0.0178 -0.0226 354 ASP B CA 7824 C C . ASP B 354 ? 0.2858 0.2715 0.2608 -0.0224 0.0180 -0.0224 354 ASP B C 7825 O O . ASP B 354 ? 0.2630 0.2570 0.2450 -0.0226 0.0169 -0.0229 354 ASP B O 7826 C CB . ASP B 354 ? 0.3254 0.3031 0.2917 -0.0194 0.0191 -0.0221 354 ASP B CB 7827 C CG . ASP B 354 ? 0.3654 0.3369 0.3295 -0.0237 0.0221 -0.0210 354 ASP B CG 7828 O OD1 . ASP B 354 ? 0.3835 0.3524 0.3471 -0.0266 0.0233 -0.0208 354 ASP B OD1 7829 O OD2 . ASP B 354 ? 0.3836 0.3533 0.3466 -0.0244 0.0235 -0.0205 354 ASP B OD2 7830 N N . GLN B 355 ? 0.2680 0.2495 0.2414 -0.0252 0.0193 -0.0219 355 GLN B N 7831 C CA . GLN B 355 ? 0.2551 0.2417 0.2347 -0.0281 0.0190 -0.0220 355 GLN B CA 7832 C C . GLN B 355 ? 0.2513 0.2414 0.2319 -0.0256 0.0173 -0.0226 355 GLN B C 7833 O O . GLN B 355 ? 0.2444 0.2407 0.2311 -0.0268 0.0168 -0.0228 355 GLN B O 7834 C CB . GLN B 355 ? 0.2514 0.2331 0.2292 -0.0318 0.0206 -0.0219 355 GLN B CB 7835 C CG . GLN B 355 ? 0.2515 0.2346 0.2330 -0.0355 0.0224 -0.0218 355 GLN B CG 7836 C CD . GLN B 355 ? 0.2469 0.2389 0.2372 -0.0371 0.0214 -0.0221 355 GLN B CD 7837 O OE1 . GLN B 355 ? 0.2405 0.2371 0.2344 -0.0363 0.0210 -0.0219 355 GLN B OE1 7838 N NE2 . GLN B 355 ? 0.2365 0.2304 0.2295 -0.0391 0.0211 -0.0228 355 GLN B NE2 7839 N N . LEU B 356 ? 0.2558 0.2413 0.2298 -0.0219 0.0167 -0.0230 356 LEU B N 7840 C CA . LEU B 356 ? 0.2564 0.2458 0.2311 -0.0190 0.0152 -0.0238 356 LEU B CA 7841 C C . LEU B 356 ? 0.2417 0.2407 0.2234 -0.0181 0.0143 -0.0248 356 LEU B C 7842 O O . LEU B 356 ? 0.2353 0.2402 0.2219 -0.0187 0.0141 -0.0252 356 LEU B O 7843 C CB . LEU B 356 ? 0.2700 0.2528 0.2356 -0.0143 0.0145 -0.0244 356 LEU B CB 7844 C CG . LEU B 356 ? 0.2813 0.2683 0.2472 -0.0107 0.0130 -0.0256 356 LEU B CG 7845 C CD1 . LEU B 356 ? 0.2723 0.2600 0.2406 -0.0132 0.0134 -0.0251 356 LEU B CD1 7846 C CD2 . LEU B 356 ? 0.2851 0.2649 0.2409 -0.0052 0.0121 -0.0262 356 LEU B CD2 7847 N N . SER B 357 ? 0.2441 0.2441 0.2258 -0.0169 0.0141 -0.0251 357 SER B N 7848 C CA . SER B 357 ? 0.2385 0.2474 0.2271 -0.0169 0.0134 -0.0262 357 SER B CA 7849 C C . SER B 357 ? 0.2244 0.2371 0.2195 -0.0214 0.0144 -0.0254 357 SER B C 7850 O O . SER B 357 ? 0.2176 0.2367 0.2179 -0.0222 0.0143 -0.0263 357 SER B O 7851 C CB . SER B 357 ? 0.2519 0.2603 0.2385 -0.0147 0.0127 -0.0269 357 SER B CB 7852 O OG . SER B 357 ? 0.2769 0.2832 0.2575 -0.0095 0.0112 -0.0283 357 SER B OG 7853 N N . THR B 358 ? 0.2151 0.2238 0.2097 -0.0242 0.0154 -0.0241 358 THR B N 7854 C CA . THR B 358 ? 0.2073 0.2190 0.2071 -0.0276 0.0161 -0.0234 358 THR B CA 7855 C C . THR B 358 ? 0.1990 0.2127 0.2007 -0.0284 0.0160 -0.0235 358 THR B C 7856 O O . THR B 358 ? 0.1888 0.2063 0.1945 -0.0299 0.0163 -0.0235 358 THR B O 7857 C CB . THR B 358 ? 0.2166 0.2245 0.2156 -0.0300 0.0171 -0.0225 358 THR B CB 7858 O OG1 . THR B 358 ? 0.2204 0.2264 0.2176 -0.0294 0.0175 -0.0224 358 THR B OG1 7859 C CG2 . THR B 358 ? 0.2166 0.2280 0.2206 -0.0326 0.0173 -0.0223 358 THR B CG2 7860 N N . VAL B 359 ? 0.1938 0.2040 0.1919 -0.0275 0.0158 -0.0235 359 VAL B N 7861 C CA . VAL B 359 ? 0.1876 0.1991 0.1866 -0.0277 0.0157 -0.0236 359 VAL B CA 7862 C C . VAL B 359 ? 0.1810 0.1982 0.1829 -0.0265 0.0157 -0.0245 359 VAL B C 7863 O O . VAL B 359 ? 0.1724 0.1920 0.1769 -0.0280 0.0163 -0.0244 359 VAL B O 7864 C CB . VAL B 359 ? 0.1918 0.1980 0.1856 -0.0265 0.0154 -0.0235 359 VAL B CB 7865 C CG1 . VAL B 359 ? 0.1856 0.1931 0.1796 -0.0259 0.0152 -0.0238 359 VAL B CG1 7866 C CG2 . VAL B 359 ? 0.1868 0.1882 0.1790 -0.0291 0.0158 -0.0230 359 VAL B CG2 7867 N N . HIS B 360 ? 0.1827 0.2020 0.1838 -0.0239 0.0152 -0.0256 360 HIS B N 7868 C CA . HIS B 360 ? 0.1902 0.2163 0.1949 -0.0232 0.0155 -0.0272 360 HIS B CA 7869 C C . HIS B 360 ? 0.1898 0.2195 0.1992 -0.0262 0.0164 -0.0273 360 HIS B C 7870 O O . HIS B 360 ? 0.1963 0.2293 0.2084 -0.0277 0.0176 -0.0278 360 HIS B O 7871 C CB . HIS B 360 ? 0.1942 0.2228 0.1975 -0.0194 0.0143 -0.0290 360 HIS B CB 7872 C CG . HIS B 360 ? 0.2080 0.2339 0.2064 -0.0159 0.0135 -0.0294 360 HIS B CG 7873 N ND1 . HIS B 360 ? 0.2113 0.2287 0.2030 -0.0146 0.0130 -0.0282 360 HIS B ND1 7874 C CD2 . HIS B 360 ? 0.2106 0.2406 0.2093 -0.0135 0.0134 -0.0310 360 HIS B CD2 7875 C CE1 . HIS B 360 ? 0.2216 0.2374 0.2090 -0.0112 0.0124 -0.0289 360 HIS B CE1 7876 N NE2 . HIS B 360 ? 0.2239 0.2476 0.2157 -0.0103 0.0125 -0.0306 360 HIS B NE2 7877 N N . HIS B 361 ? 0.1895 0.2178 0.1992 -0.0269 0.0161 -0.0267 361 HIS B N 7878 C CA . HIS B 361 ? 0.1808 0.2112 0.1939 -0.0295 0.0168 -0.0267 361 HIS B CA 7879 C C . HIS B 361 ? 0.1793 0.2081 0.1929 -0.0318 0.0179 -0.0256 361 HIS B C 7880 O O . HIS B 361 ? 0.1752 0.2062 0.1907 -0.0335 0.0191 -0.0261 361 HIS B O 7881 C CB . HIS B 361 ? 0.1748 0.2026 0.1871 -0.0297 0.0163 -0.0258 361 HIS B CB 7882 C CG . HIS B 361 ? 0.1716 0.2007 0.1865 -0.0320 0.0170 -0.0257 361 HIS B CG 7883 N ND1 . HIS B 361 ? 0.1714 0.2044 0.1887 -0.0323 0.0169 -0.0272 361 HIS B ND1 7884 C CD2 . HIS B 361 ? 0.1694 0.1963 0.1845 -0.0338 0.0175 -0.0245 361 HIS B CD2 7885 C CE1 . HIS B 361 ? 0.1760 0.2082 0.1943 -0.0344 0.0177 -0.0267 361 HIS B CE1 7886 N NE2 . HIS B 361 ? 0.1744 0.2030 0.1913 -0.0350 0.0180 -0.0250 361 HIS B NE2 7887 N N . GLU B 362 ? 0.1784 0.2032 0.1899 -0.0319 0.0175 -0.0243 362 GLU B N 7888 C CA . GLU B 362 ? 0.1910 0.2140 0.2021 -0.0333 0.0180 -0.0235 362 GLU B CA 7889 C C . GLU B 362 ? 0.1949 0.2185 0.2052 -0.0331 0.0189 -0.0239 362 GLU B C 7890 O O . GLU B 362 ? 0.1953 0.2182 0.2053 -0.0343 0.0200 -0.0237 362 GLU B O 7891 C CB . GLU B 362 ? 0.1890 0.2086 0.1985 -0.0333 0.0171 -0.0228 362 GLU B CB 7892 C CG . GLU B 362 ? 0.1972 0.2160 0.2072 -0.0338 0.0168 -0.0225 362 GLU B CG 7893 C CD . GLU B 362 ? 0.2026 0.2230 0.2147 -0.0346 0.0171 -0.0224 362 GLU B CD 7894 O OE1 . GLU B 362 ? 0.2105 0.2310 0.2228 -0.0352 0.0174 -0.0223 362 GLU B OE1 7895 O OE2 . GLU B 362 ? 0.2126 0.2331 0.2250 -0.0346 0.0171 -0.0224 362 GLU B OE2 7896 N N . MET B 363 ? 0.2007 0.2250 0.2100 -0.0314 0.0186 -0.0245 363 MET B N 7897 C CA . MET B 363 ? 0.2078 0.2331 0.2163 -0.0310 0.0196 -0.0250 363 MET B CA 7898 C C . MET B 363 ? 0.2065 0.2365 0.2179 -0.0323 0.0214 -0.0263 363 MET B C 7899 O O . MET B 363 ? 0.2084 0.2387 0.2193 -0.0332 0.0232 -0.0266 363 MET B O 7900 C CB . MET B 363 ? 0.2204 0.2455 0.2268 -0.0284 0.0188 -0.0255 363 MET B CB 7901 C CG . MET B 363 ? 0.2365 0.2617 0.2414 -0.0277 0.0198 -0.0257 363 MET B CG 7902 S SD . MET B 363 ? 0.2609 0.2832 0.2615 -0.0244 0.0184 -0.0259 363 MET B SD 7903 C CE . MET B 363 ? 0.2386 0.2542 0.2364 -0.0255 0.0170 -0.0244 363 MET B CE 7904 N N . GLY B 364 ? 0.2053 0.2390 0.2195 -0.0325 0.0211 -0.0273 364 GLY B N 7905 C CA . GLY B 364 ? 0.2044 0.2429 0.2220 -0.0344 0.0227 -0.0290 364 GLY B CA 7906 C C . GLY B 364 ? 0.2166 0.2516 0.2332 -0.0375 0.0245 -0.0281 364 GLY B C 7907 O O . GLY B 364 ? 0.2110 0.2473 0.2281 -0.0396 0.0270 -0.0291 364 GLY B O 7908 N N . HIS B 365 ? 0.2142 0.2444 0.2288 -0.0376 0.0236 -0.0264 365 HIS B N 7909 C CA . HIS B 365 ? 0.2203 0.2458 0.2322 -0.0394 0.0249 -0.0254 365 HIS B CA 7910 C C . HIS B 365 ? 0.2233 0.2452 0.2315 -0.0392 0.0262 -0.0248 365 HIS B C 7911 O O . HIS B 365 ? 0.2323 0.2517 0.2382 -0.0412 0.0287 -0.0250 365 HIS B O 7912 C CB . HIS B 365 ? 0.2131 0.2351 0.2236 -0.0386 0.0232 -0.0240 365 HIS B CB 7913 C CG . HIS B 365 ? 0.2152 0.2392 0.2282 -0.0389 0.0223 -0.0243 365 HIS B CG 7914 N ND1 . HIS B 365 ? 0.2160 0.2414 0.2303 -0.0409 0.0235 -0.0254 365 HIS B ND1 7915 C CD2 . HIS B 365 ? 0.2099 0.2339 0.2236 -0.0377 0.0206 -0.0238 365 HIS B CD2 7916 C CE1 . HIS B 365 ? 0.2135 0.2399 0.2292 -0.0404 0.0223 -0.0254 365 HIS B CE1 7917 N NE2 . HIS B 365 ? 0.2049 0.2304 0.2202 -0.0385 0.0207 -0.0244 365 HIS B NE2 7918 N N . ILE B 366 ? 0.2139 0.2347 0.2208 -0.0370 0.0247 -0.0242 366 ILE B N 7919 C CA . ILE B 366 ? 0.2180 0.2354 0.2210 -0.0364 0.0257 -0.0237 366 ILE B CA 7920 C C . ILE B 366 ? 0.2320 0.2521 0.2355 -0.0376 0.0286 -0.0249 366 ILE B C 7921 O O . ILE B 366 ? 0.2393 0.2555 0.2391 -0.0387 0.0310 -0.0246 366 ILE B O 7922 C CB . ILE B 366 ? 0.2178 0.2341 0.2196 -0.0339 0.0234 -0.0232 366 ILE B CB 7923 C CG1 . ILE B 366 ? 0.2096 0.2239 0.2113 -0.0333 0.0210 -0.0225 366 ILE B CG1 7924 C CG2 . ILE B 366 ? 0.2153 0.2278 0.2126 -0.0329 0.0243 -0.0228 366 ILE B CG2 7925 C CD1 . ILE B 366 ? 0.2112 0.2213 0.2098 -0.0331 0.0208 -0.0218 366 ILE B CD1 7926 N N . GLN B 367 ? 0.2347 0.2614 0.2425 -0.0373 0.0285 -0.0265 367 GLN B N 7927 C CA . GLN B 367 ? 0.2443 0.2756 0.2539 -0.0385 0.0312 -0.0283 367 GLN B CA 7928 C C . GLN B 367 ? 0.2558 0.2863 0.2654 -0.0424 0.0345 -0.0291 367 GLN B C 7929 O O . GLN B 367 ? 0.2576 0.2866 0.2650 -0.0441 0.0378 -0.0295 367 GLN B O 7930 C CB . GLN B 367 ? 0.2369 0.2764 0.2515 -0.0370 0.0300 -0.0305 367 GLN B CB 7931 C CG . GLN B 367 ? 0.2472 0.2930 0.2641 -0.0371 0.0322 -0.0328 367 GLN B CG 7932 C CD . GLN B 367 ? 0.2571 0.2994 0.2698 -0.0353 0.0329 -0.0318 367 GLN B CD 7933 O OE1 . GLN B 367 ? 0.2766 0.3186 0.2882 -0.0372 0.0363 -0.0323 367 GLN B OE1 7934 N NE2 . GLN B 367 ? 0.2676 0.3068 0.2776 -0.0319 0.0300 -0.0305 367 GLN B NE2 7935 N N . TYR B 368 ? 0.2553 0.2859 0.2666 -0.0439 0.0339 -0.0292 368 TYR B N 7936 C CA . TYR B 368 ? 0.2665 0.2945 0.2765 -0.0478 0.0369 -0.0297 368 TYR B CA 7937 C C . TYR B 368 ? 0.2809 0.2992 0.2833 -0.0483 0.0389 -0.0278 368 TYR B C 7938 O O . TYR B 368 ? 0.2815 0.2973 0.2812 -0.0513 0.0430 -0.0285 368 TYR B O 7939 C CB . TYR B 368 ? 0.2665 0.2939 0.2778 -0.0484 0.0352 -0.0294 368 TYR B CB 7940 C CG . TYR B 368 ? 0.2730 0.3045 0.2879 -0.0522 0.0373 -0.0319 368 TYR B CG 7941 C CD1 . TYR B 368 ? 0.2900 0.3205 0.3037 -0.0563 0.0416 -0.0333 368 TYR B CD1 7942 C CD2 . TYR B 368 ? 0.2732 0.3095 0.2924 -0.0518 0.0350 -0.0330 368 TYR B CD2 7943 C CE1 . TYR B 368 ? 0.2903 0.3252 0.3078 -0.0604 0.0436 -0.0361 368 TYR B CE1 7944 C CE2 . TYR B 368 ? 0.2763 0.3168 0.2990 -0.0552 0.0366 -0.0356 368 TYR B CE2 7945 C CZ . TYR B 368 ? 0.2857 0.3258 0.3079 -0.0597 0.0409 -0.0373 368 TYR B CZ 7946 O OH . TYR B 368 ? 0.2794 0.3240 0.3054 -0.0637 0.0425 -0.0404 368 TYR B OH 7947 N N . TYR B 369 ? 0.2835 0.2962 0.2818 -0.0453 0.0363 -0.0256 369 TYR B N 7948 C CA . TYR B 369 ? 0.2896 0.2929 0.2799 -0.0445 0.0373 -0.0240 369 TYR B CA 7949 C C . TYR B 369 ? 0.3155 0.3172 0.3026 -0.0445 0.0400 -0.0242 369 TYR B C 7950 O O . TYR B 369 ? 0.3265 0.3213 0.3074 -0.0462 0.0434 -0.0239 369 TYR B O 7951 C CB . TYR B 369 ? 0.2802 0.2803 0.2682 -0.0407 0.0334 -0.0225 369 TYR B CB 7952 C CG . TYR B 369 ? 0.2675 0.2687 0.2580 -0.0401 0.0308 -0.0221 369 TYR B CG 7953 C CD1 . TYR B 369 ? 0.2647 0.2653 0.2556 -0.0424 0.0320 -0.0225 369 TYR B CD1 7954 C CD2 . TYR B 369 ? 0.2631 0.2655 0.2550 -0.0374 0.0272 -0.0216 369 TYR B CD2 7955 C CE1 . TYR B 369 ? 0.2593 0.2606 0.2518 -0.0415 0.0297 -0.0221 369 TYR B CE1 7956 C CE2 . TYR B 369 ? 0.2503 0.2540 0.2444 -0.0369 0.0252 -0.0214 369 TYR B CE2 7957 C CZ . TYR B 369 ? 0.2523 0.2553 0.2465 -0.0387 0.0264 -0.0216 369 TYR B CZ 7958 O OH . TYR B 369 ? 0.2393 0.2433 0.2353 -0.0381 0.0246 -0.0214 369 TYR B OH 7959 N N . LEU B 370 ? 0.3140 0.3212 0.3047 -0.0426 0.0385 -0.0247 370 LEU B N 7960 C CA . LEU B 370 ? 0.3280 0.3345 0.3161 -0.0421 0.0407 -0.0250 370 LEU B CA 7961 C C . LEU B 370 ? 0.3453 0.3549 0.3350 -0.0461 0.0456 -0.0268 370 LEU B C 7962 O O . LEU B 370 ? 0.3493 0.3543 0.3339 -0.0469 0.0491 -0.0267 370 LEU B O 7963 C CB . LEU B 370 ? 0.3163 0.3286 0.3081 -0.0391 0.0380 -0.0254 370 LEU B CB 7964 C CG . LEU B 370 ? 0.3043 0.3147 0.2954 -0.0358 0.0335 -0.0241 370 LEU B CG 7965 C CD1 . LEU B 370 ? 0.2889 0.3037 0.2825 -0.0333 0.0316 -0.0247 370 LEU B CD1 7966 C CD2 . LEU B 370 ? 0.3202 0.3220 0.3042 -0.0341 0.0329 -0.0226 370 LEU B CD2 7967 N N . GLN B 371 ? 0.3490 0.3662 0.3456 -0.0486 0.0460 -0.0288 371 GLN B N 7968 C CA . GLN B 371 ? 0.3609 0.3831 0.3605 -0.0529 0.0506 -0.0315 371 GLN B CA 7969 C C . GLN B 371 ? 0.3753 0.3893 0.3693 -0.0572 0.0549 -0.0312 371 GLN B C 7970 O O . GLN B 371 ? 0.3858 0.3998 0.3788 -0.0609 0.0599 -0.0327 371 GLN B O 7971 C CB . GLN B 371 ? 0.3537 0.3877 0.3628 -0.0539 0.0494 -0.0343 371 GLN B CB 7972 C CG . GLN B 371 ? 0.3635 0.4068 0.3781 -0.0502 0.0467 -0.0357 371 GLN B CG 7973 C CD . GLN B 371 ? 0.3739 0.4191 0.3873 -0.0492 0.0491 -0.0365 371 GLN B CD 7974 O OE1 . GLN B 371 ? 0.4066 0.4530 0.4196 -0.0449 0.0464 -0.0358 371 GLN B OE1 7975 N NE2 . GLN B 371 ? 0.3699 0.4148 0.3824 -0.0533 0.0543 -0.0378 371 GLN B NE2 7976 N N . TYR B 372 ? 0.3679 0.3747 0.3579 -0.0569 0.0532 -0.0295 372 TYR B N 7977 C CA . TYR B 372 ? 0.3871 0.3843 0.3699 -0.0607 0.0573 -0.0291 372 TYR B CA 7978 C C . TYR B 372 ? 0.4031 0.3863 0.3740 -0.0580 0.0574 -0.0262 372 TYR B C 7979 O O . TYR B 372 ? 0.4191 0.3923 0.3822 -0.0597 0.0596 -0.0255 372 TYR B O 7980 C CB . TYR B 372 ? 0.3675 0.3659 0.3532 -0.0634 0.0567 -0.0301 372 TYR B CB 7981 C CG . TYR B 372 ? 0.3584 0.3558 0.3446 -0.0597 0.0515 -0.0284 372 TYR B CG 7982 C CD1 . TYR B 372 ? 0.3471 0.3365 0.3266 -0.0554 0.0489 -0.0257 372 TYR B CD1 7983 C CD2 . TYR B 372 ? 0.3441 0.3489 0.3375 -0.0606 0.0494 -0.0298 372 TYR B CD2 7984 C CE1 . TYR B 372 ? 0.3470 0.3365 0.3276 -0.0525 0.0446 -0.0246 372 TYR B CE1 7985 C CE2 . TYR B 372 ? 0.3486 0.3524 0.3423 -0.0575 0.0452 -0.0283 372 TYR B CE2 7986 C CZ . TYR B 372 ? 0.3402 0.3367 0.3278 -0.0537 0.0430 -0.0258 372 TYR B CZ 7987 O OH . TYR B 372 ? 0.3449 0.3414 0.3334 -0.0510 0.0392 -0.0247 372 TYR B OH 7988 N N . LYS B 373 ? 0.4141 0.3965 0.3830 -0.0535 0.0548 -0.0249 373 LYS B N 7989 C CA . LYS B 373 ? 0.4468 0.4173 0.4050 -0.0499 0.0539 -0.0225 373 LYS B CA 7990 C C . LYS B 373 ? 0.4819 0.4405 0.4289 -0.0519 0.0594 -0.0220 373 LYS B C 7991 O O . LYS B 373 ? 0.4674 0.4143 0.4038 -0.0489 0.0588 -0.0203 373 LYS B O 7992 C CB . LYS B 373 ? 0.4324 0.4053 0.3916 -0.0450 0.0498 -0.0217 373 LYS B CB 7993 C CG . LYS B 373 ? 0.4558 0.4302 0.4143 -0.0448 0.0522 -0.0221 373 LYS B CG 7994 C CD . LYS B 373 ? 0.4757 0.4514 0.4345 -0.0398 0.0476 -0.0213 373 LYS B CD 7995 C CE . LYS B 373 ? 0.4946 0.4675 0.4487 -0.0384 0.0498 -0.0212 373 LYS B CE 7996 N NZ . LYS B 373 ? 0.5291 0.5105 0.4894 -0.0414 0.0532 -0.0230 373 LYS B NZ 7997 N N . ASP B 374 ? 0.5262 0.4878 0.4753 -0.0567 0.0647 -0.0238 374 ASP B N 7998 C CA . ASP B 374 ? 0.5830 0.5328 0.5210 -0.0593 0.0709 -0.0234 374 ASP B CA 7999 C C . ASP B 374 ? 0.6062 0.5492 0.5399 -0.0647 0.0751 -0.0242 374 ASP B C 8000 O O . ASP B 374 ? 0.6379 0.5686 0.5605 -0.0672 0.0806 -0.0237 374 ASP B O 8001 C CB . ASP B 374 ? 0.5979 0.5535 0.5390 -0.0616 0.0750 -0.0250 374 ASP B CB 8002 C CG . ASP B 374 ? 0.6204 0.5792 0.5626 -0.0560 0.0714 -0.0240 374 ASP B CG 8003 O OD1 . ASP B 374 ? 0.6249 0.5762 0.5603 -0.0508 0.0674 -0.0218 374 ASP B OD1 8004 O OD2 . ASP B 374 ? 0.6543 0.6235 0.6040 -0.0568 0.0723 -0.0257 374 ASP B OD2 8005 N N . LEU B 375 ? 0.5947 0.5449 0.5364 -0.0664 0.0728 -0.0253 375 LEU B N 8006 C CA . LEU B 375 ? 0.6146 0.5574 0.5516 -0.0707 0.0757 -0.0258 375 LEU B CA 8007 C C . LEU B 375 ? 0.6417 0.5691 0.5655 -0.0663 0.0737 -0.0230 375 LEU B C 8008 O O . LEU B 375 ? 0.6208 0.5478 0.5433 -0.0600 0.0686 -0.0212 375 LEU B O 8009 C CB . LEU B 375 ? 0.6041 0.5590 0.5532 -0.0731 0.0732 -0.0278 375 LEU B CB 8010 C CG . LEU B 375 ? 0.5997 0.5715 0.5629 -0.0765 0.0739 -0.0312 375 LEU B CG 8011 C CD1 . LEU B 375 ? 0.5770 0.5556 0.5477 -0.0798 0.0729 -0.0333 375 LEU B CD1 8012 C CD2 . LEU B 375 ? 0.6023 0.5753 0.5652 -0.0815 0.0805 -0.0333 375 LEU B CD2 8013 N N . PRO B 376 ? 0.6614 0.5760 0.5749 -0.0697 0.0779 -0.0228 376 PRO B N 8014 C CA . PRO B 376 ? 0.6665 0.5672 0.5678 -0.0654 0.0757 -0.0207 376 PRO B CA 8015 C C . PRO B 376 ? 0.6331 0.5419 0.5424 -0.0621 0.0693 -0.0205 376 PRO B C 8016 O O . PRO B 376 ? 0.6246 0.5447 0.5454 -0.0658 0.0688 -0.0223 376 PRO B O 8017 C CB . PRO B 376 ? 0.6867 0.5748 0.5781 -0.0714 0.0822 -0.0214 376 PRO B CB 8018 C CG . PRO B 376 ? 0.6996 0.5903 0.5932 -0.0777 0.0888 -0.0232 376 PRO B CG 8019 C CD . PRO B 376 ? 0.6814 0.5926 0.5926 -0.0776 0.0856 -0.0249 376 PRO B CD 8020 N N . VAL B 377 ? 0.6095 0.5126 0.5127 -0.0553 0.0646 -0.0187 377 VAL B N 8021 C CA . VAL B 377 ? 0.6122 0.5243 0.5238 -0.0515 0.0582 -0.0185 377 VAL B CA 8022 C C . VAL B 377 ? 0.5867 0.5044 0.5053 -0.0552 0.0579 -0.0198 377 VAL B C 8023 O O . VAL B 377 ? 0.5673 0.4978 0.4978 -0.0544 0.0540 -0.0204 377 VAL B O 8024 C CB . VAL B 377 ? 0.6301 0.5339 0.5325 -0.0440 0.0538 -0.0170 377 VAL B CB 8025 C CG1 . VAL B 377 ? 0.6311 0.5373 0.5335 -0.0390 0.0508 -0.0163 377 VAL B CG1 8026 C CG2 . VAL B 377 ? 0.6561 0.5415 0.5414 -0.0433 0.0570 -0.0161 377 VAL B CG2 8027 N N . SER B 378 ? 0.5751 0.4826 0.4857 -0.0591 0.0621 -0.0201 378 SER B N 8028 C CA . SER B 378 ? 0.5613 0.4725 0.4770 -0.0625 0.0619 -0.0214 378 SER B CA 8029 C C . SER B 378 ? 0.5268 0.4529 0.4568 -0.0682 0.0631 -0.0239 378 SER B C 8030 O O . SER B 378 ? 0.5213 0.4538 0.4583 -0.0702 0.0617 -0.0253 378 SER B O 8031 C CB . SER B 378 ? 0.5934 0.4883 0.4954 -0.0655 0.0663 -0.0213 378 SER B CB 8032 O OG . SER B 378 ? 0.6084 0.4893 0.4963 -0.0593 0.0646 -0.0191 378 SER B OG 8033 N N . LEU B 379 ? 0.4994 0.4310 0.4335 -0.0701 0.0655 -0.0248 379 LEU B N 8034 C CA . LEU B 379 ? 0.4910 0.4378 0.4388 -0.0743 0.0662 -0.0275 379 LEU B CA 8035 C C . LEU B 379 ? 0.4629 0.4227 0.4211 -0.0697 0.0610 -0.0272 379 LEU B C 8036 O O . LEU B 379 ? 0.4536 0.4263 0.4227 -0.0717 0.0608 -0.0294 379 LEU B O 8037 C CB . LEU B 379 ? 0.4984 0.4442 0.4448 -0.0800 0.0727 -0.0293 379 LEU B CB 8038 C CG . LEU B 379 ? 0.5210 0.4531 0.4566 -0.0858 0.0790 -0.0300 379 LEU B CG 8039 C CD1 . LEU B 379 ? 0.5254 0.4599 0.4625 -0.0922 0.0856 -0.0324 379 LEU B CD1 8040 C CD2 . LEU B 379 ? 0.5152 0.4481 0.4533 -0.0892 0.0785 -0.0316 379 LEU B CD2 8041 N N . ARG B 380 ? 0.4431 0.3992 0.3974 -0.0636 0.0570 -0.0248 380 ARG B N 8042 C CA . ARG B 380 ? 0.4339 0.4002 0.3964 -0.0594 0.0523 -0.0244 380 ARG B CA 8043 C C . ARG B 380 ? 0.4041 0.3775 0.3738 -0.0578 0.0479 -0.0245 380 ARG B C 8044 O O . ARG B 380 ? 0.3863 0.3583 0.3546 -0.0533 0.0440 -0.0230 380 ARG B O 8045 C CB . ARG B 380 ? 0.4311 0.3910 0.3867 -0.0541 0.0502 -0.0222 380 ARG B CB 8046 C CG . ARG B 380 ? 0.4679 0.4230 0.4180 -0.0549 0.0539 -0.0220 380 ARG B CG 8047 C CD . ARG B 380 ? 0.4853 0.4343 0.4284 -0.0491 0.0513 -0.0202 380 ARG B CD 8048 N NE . ARG B 380 ? 0.5211 0.4580 0.4525 -0.0497 0.0557 -0.0195 380 ARG B NE 8049 C CZ . ARG B 380 ? 0.5328 0.4605 0.4543 -0.0450 0.0545 -0.0181 380 ARG B CZ 8050 N NH1 . ARG B 380 ? 0.5048 0.4348 0.4275 -0.0394 0.0489 -0.0174 380 ARG B NH1 8051 N NH2 . ARG B 380 ? 0.5454 0.4613 0.4554 -0.0459 0.0592 -0.0175 380 ARG B NH2 8052 N N . ARG B 381 ? 0.4093 0.3905 0.3865 -0.0615 0.0487 -0.0267 381 ARG B N 8053 C CA . ARG B 381 ? 0.4070 0.3954 0.3912 -0.0602 0.0449 -0.0272 381 ARG B CA 8054 C C . ARG B 381 ? 0.3919 0.3920 0.3858 -0.0631 0.0455 -0.0301 381 ARG B C 8055 O O . ARG B 381 ? 0.3836 0.3857 0.3785 -0.0667 0.0492 -0.0319 381 ARG B O 8056 C CB . ARG B 381 ? 0.4621 0.4438 0.4417 -0.0616 0.0453 -0.0271 381 ARG B CB 8057 C CG . ARG B 381 ? 0.5294 0.4977 0.4973 -0.0593 0.0458 -0.0249 381 ARG B CG 8058 C CD . ARG B 381 ? 0.5855 0.5469 0.5485 -0.0619 0.0473 -0.0254 381 ARG B CD 8059 N NE . ARG B 381 ? 0.6592 0.6058 0.6092 -0.0626 0.0507 -0.0244 381 ARG B NE 8060 C CZ . ARG B 381 ? 0.6986 0.6354 0.6390 -0.0577 0.0490 -0.0224 381 ARG B CZ 8061 N NH1 . ARG B 381 ? 0.7213 0.6626 0.6649 -0.0524 0.0441 -0.0214 381 ARG B NH1 8062 N NH2 . ARG B 381 ? 0.7544 0.6766 0.6815 -0.0582 0.0523 -0.0216 381 ARG B NH2 8063 N N . GLY B 382 ? 0.3562 0.3639 0.3568 -0.0615 0.0421 -0.0308 382 GLY B N 8064 C CA . GLY B 382 ? 0.3411 0.3599 0.3504 -0.0635 0.0420 -0.0339 382 GLY B CA 8065 C C . GLY B 382 ? 0.3416 0.3600 0.3511 -0.0689 0.0452 -0.0365 382 GLY B C 8066 O O . GLY B 382 ? 0.3476 0.3563 0.3503 -0.0705 0.0465 -0.0354 382 GLY B O 8067 N N . ALA B 383 ? 0.3337 0.3622 0.3507 -0.0718 0.0463 -0.0402 383 ALA B N 8068 C CA . ALA B 383 ? 0.3363 0.3661 0.3550 -0.0774 0.0491 -0.0434 383 ALA B CA 8069 C C . ALA B 383 ? 0.3432 0.3686 0.3597 -0.0768 0.0467 -0.0427 383 ALA B C 8070 O O . ALA B 383 ? 0.3509 0.3696 0.3630 -0.0809 0.0493 -0.0434 383 ALA B O 8071 C CB . ALA B 383 ? 0.3318 0.3761 0.3606 -0.0792 0.0492 -0.0481 383 ALA B CB 8072 N N . ASN B 384 ? 0.3346 0.3634 0.3536 -0.0716 0.0420 -0.0413 384 ASN B N 8073 C CA . ASN B 384 ? 0.3353 0.3577 0.3502 -0.0691 0.0394 -0.0390 384 ASN B CA 8074 C C . ASN B 384 ? 0.3265 0.3502 0.3420 -0.0632 0.0357 -0.0362 384 ASN B C 8075 O O . ASN B 384 ? 0.3288 0.3584 0.3480 -0.0614 0.0350 -0.0365 384 ASN B O 8076 C CB . ASN B 384 ? 0.3328 0.3588 0.3510 -0.0709 0.0383 -0.0416 384 ASN B CB 8077 C CG . ASN B 384 ? 0.3279 0.3660 0.3545 -0.0683 0.0350 -0.0440 384 ASN B CG 8078 O OD1 . ASN B 384 ? 0.3306 0.3710 0.3583 -0.0635 0.0320 -0.0422 384 ASN B OD1 8079 N ND2 . ASN B 384 ? 0.3311 0.3765 0.3630 -0.0716 0.0354 -0.0483 384 ASN B ND2 8080 N N . PRO B 385 ? 0.3194 0.3374 0.3310 -0.0603 0.0335 -0.0338 385 PRO B N 8081 C CA . PRO B 385 ? 0.2916 0.3105 0.3036 -0.0555 0.0307 -0.0315 385 PRO B CA 8082 C C . PRO B 385 ? 0.2684 0.2963 0.2868 -0.0532 0.0282 -0.0327 385 PRO B C 8083 O O . PRO B 385 ? 0.2558 0.2851 0.2749 -0.0504 0.0268 -0.0314 385 PRO B O 8084 C CB . PRO B 385 ? 0.3009 0.3139 0.3089 -0.0535 0.0291 -0.0296 385 PRO B CB 8085 C CG . PRO B 385 ? 0.3160 0.3210 0.3180 -0.0565 0.0318 -0.0297 385 PRO B CG 8086 C CD . PRO B 385 ? 0.3208 0.3302 0.3264 -0.0612 0.0341 -0.0329 385 PRO B CD 8087 N N . GLY B 386 ? 0.2575 0.2908 0.2799 -0.0542 0.0274 -0.0353 386 GLY B N 8088 C CA . GLY B 386 ? 0.2490 0.2904 0.2763 -0.0516 0.0250 -0.0370 386 GLY B CA 8089 C C . GLY B 386 ? 0.2518 0.2996 0.2827 -0.0515 0.0257 -0.0386 386 GLY B C 8090 O O . GLY B 386 ? 0.2412 0.2930 0.2738 -0.0479 0.0236 -0.0388 386 GLY B O 8091 N N . PHE B 387 ? 0.2485 0.2966 0.2797 -0.0553 0.0289 -0.0399 387 PHE B N 8092 C CA . PHE B 387 ? 0.2458 0.2990 0.2795 -0.0552 0.0301 -0.0410 387 PHE B CA 8093 C C . PHE B 387 ? 0.2341 0.2829 0.2644 -0.0519 0.0292 -0.0378 387 PHE B C 8094 O O . PHE B 387 ? 0.2314 0.2847 0.2636 -0.0491 0.0280 -0.0383 387 PHE B O 8095 C CB . PHE B 387 ? 0.2609 0.3131 0.2942 -0.0604 0.0345 -0.0424 387 PHE B CB 8096 C CG . PHE B 387 ? 0.2694 0.3300 0.3085 -0.0641 0.0360 -0.0471 387 PHE B CG 8097 C CD1 . PHE B 387 ? 0.2750 0.3358 0.3151 -0.0662 0.0354 -0.0488 387 PHE B CD1 8098 C CD2 . PHE B 387 ? 0.2742 0.3431 0.3180 -0.0658 0.0381 -0.0502 387 PHE B CD2 8099 C CE1 . PHE B 387 ? 0.2740 0.3432 0.3200 -0.0701 0.0367 -0.0537 387 PHE B CE1 8100 C CE2 . PHE B 387 ? 0.2749 0.3531 0.3251 -0.0696 0.0396 -0.0552 387 PHE B CE2 8101 C CZ . PHE B 387 ? 0.2786 0.3570 0.3300 -0.0719 0.0389 -0.0570 387 PHE B CZ 8102 N N . HIS B 388 ? 0.2288 0.2687 0.2535 -0.0520 0.0298 -0.0347 388 HIS B N 8103 C CA . HIS B 388 ? 0.2265 0.2623 0.2480 -0.0493 0.0289 -0.0320 388 HIS B CA 8104 C C . HIS B 388 ? 0.2149 0.2529 0.2378 -0.0454 0.0256 -0.0313 388 HIS B C 8105 O O . HIS B 388 ? 0.2169 0.2555 0.2394 -0.0431 0.0248 -0.0306 388 HIS B O 8106 C CB . HIS B 388 ? 0.2379 0.2646 0.2535 -0.0497 0.0296 -0.0296 388 HIS B CB 8107 C CG . HIS B 388 ? 0.2420 0.2639 0.2533 -0.0493 0.0309 -0.0281 388 HIS B CG 8108 N ND1 . HIS B 388 ? 0.2390 0.2611 0.2501 -0.0463 0.0292 -0.0269 388 HIS B ND1 8109 C CD2 . HIS B 388 ? 0.2510 0.2669 0.2574 -0.0514 0.0338 -0.0277 388 HIS B CD2 8110 C CE1 . HIS B 388 ? 0.2483 0.2654 0.2549 -0.0463 0.0307 -0.0259 388 HIS B CE1 8111 N NE2 . HIS B 388 ? 0.2529 0.2658 0.2562 -0.0492 0.0336 -0.0263 388 HIS B NE2 8112 N N . GLU B 389 ? 0.2088 0.2472 0.2325 -0.0447 0.0240 -0.0314 389 GLU B N 8113 C CA . GLU B 389 ? 0.1945 0.2335 0.2183 -0.0413 0.0214 -0.0307 389 GLU B CA 8114 C C . GLU B 389 ? 0.1978 0.2431 0.2243 -0.0391 0.0202 -0.0329 389 GLU B C 8115 O O . GLU B 389 ? 0.2070 0.2514 0.2319 -0.0360 0.0185 -0.0322 389 GLU B O 8116 C CB . GLU B 389 ? 0.1849 0.2220 0.2080 -0.0411 0.0204 -0.0303 389 GLU B CB 8117 C CG . GLU B 389 ? 0.1738 0.2048 0.1938 -0.0421 0.0211 -0.0283 389 GLU B CG 8118 C CD . GLU B 389 ? 0.1723 0.1999 0.1901 -0.0405 0.0206 -0.0261 389 GLU B CD 8119 O OE1 . GLU B 389 ? 0.1621 0.1911 0.1804 -0.0387 0.0196 -0.0259 389 GLU B OE1 8120 O OE2 . GLU B 389 ? 0.1714 0.1948 0.1865 -0.0409 0.0211 -0.0249 389 GLU B OE2 8121 N N . ALA B 390 ? 0.1947 0.2461 0.2248 -0.0407 0.0211 -0.0358 390 ALA B N 8122 C CA . ALA B 390 ? 0.1910 0.2497 0.2239 -0.0379 0.0196 -0.0386 390 ALA B CA 8123 C C . ALA B 390 ? 0.1946 0.2554 0.2274 -0.0360 0.0198 -0.0388 390 ALA B C 8124 O O . ALA B 390 ? 0.2014 0.2656 0.2342 -0.0322 0.0178 -0.0402 390 ALA B O 8125 C CB . ALA B 390 ? 0.1862 0.2524 0.2241 -0.0403 0.0202 -0.0425 390 ALA B CB 8126 N N . ILE B 391 ? 0.1936 0.2519 0.2254 -0.0383 0.0221 -0.0376 391 ILE B N 8127 C CA . ILE B 391 ? 0.1965 0.2578 0.2287 -0.0371 0.0229 -0.0384 391 ILE B CA 8128 C C . ILE B 391 ? 0.1998 0.2590 0.2288 -0.0324 0.0205 -0.0372 391 ILE B C 8129 O O . ILE B 391 ? 0.1944 0.2587 0.2244 -0.0292 0.0194 -0.0393 391 ILE B O 8130 C CB . ILE B 391 ? 0.1966 0.2534 0.2266 -0.0400 0.0258 -0.0367 391 ILE B CB 8131 C CG1 . ILE B 391 ? 0.2033 0.2598 0.2345 -0.0448 0.0287 -0.0376 391 ILE B CG1 8132 C CG2 . ILE B 391 ? 0.1947 0.2549 0.2251 -0.0386 0.0267 -0.0377 391 ILE B CG2 8133 C CD1 . ILE B 391 ? 0.2050 0.2708 0.2421 -0.0469 0.0297 -0.0418 391 ILE B CD1 8134 N N . GLY B 392 ? 0.2052 0.2566 0.2300 -0.0319 0.0198 -0.0341 392 GLY B N 8135 C CA . GLY B 392 ? 0.2139 0.2617 0.2348 -0.0282 0.0181 -0.0330 392 GLY B CA 8136 C C . GLY B 392 ? 0.2242 0.2732 0.2441 -0.0248 0.0158 -0.0342 392 GLY B C 8137 O O . GLY B 392 ? 0.2302 0.2778 0.2466 -0.0211 0.0145 -0.0344 392 GLY B O 8138 N N . ASP B 393 ? 0.2225 0.2731 0.2443 -0.0257 0.0154 -0.0349 393 ASP B N 8139 C CA . ASP B 393 ? 0.2287 0.2799 0.2488 -0.0222 0.0132 -0.0361 393 ASP B CA 8140 C C . ASP B 393 ? 0.2313 0.2903 0.2534 -0.0188 0.0120 -0.0397 393 ASP B C 8141 O O . ASP B 393 ? 0.2221 0.2800 0.2403 -0.0141 0.0099 -0.0406 393 ASP B O 8142 C CB . ASP B 393 ? 0.2306 0.2821 0.2525 -0.0239 0.0130 -0.0363 393 ASP B CB 8143 C CG . ASP B 393 ? 0.2385 0.2820 0.2570 -0.0252 0.0135 -0.0331 393 ASP B CG 8144 O OD1 . ASP B 393 ? 0.2463 0.2856 0.2634 -0.0268 0.0146 -0.0309 393 ASP B OD1 8145 O OD2 . ASP B 393 ? 0.2511 0.2932 0.2687 -0.0247 0.0127 -0.0331 393 ASP B OD2 8146 N N . VAL B 394 ? 0.2366 0.3033 0.2644 -0.0213 0.0134 -0.0420 394 VAL B N 8147 C CA . VAL B 394 ? 0.2528 0.3290 0.2839 -0.0185 0.0125 -0.0461 394 VAL B CA 8148 C C . VAL B 394 ? 0.2594 0.3333 0.2859 -0.0139 0.0115 -0.0456 394 VAL B C 8149 O O . VAL B 394 ? 0.2658 0.3419 0.2900 -0.0085 0.0090 -0.0477 394 VAL B O 8150 C CB . VAL B 394 ? 0.2565 0.3409 0.2946 -0.0231 0.0151 -0.0486 394 VAL B CB 8151 C CG1 . VAL B 394 ? 0.2725 0.3683 0.3150 -0.0204 0.0143 -0.0533 394 VAL B CG1 8152 C CG2 . VAL B 394 ? 0.2652 0.3509 0.3067 -0.0273 0.0158 -0.0494 394 VAL B CG2 8153 N N . LEU B 395 ? 0.2588 0.3275 0.2831 -0.0157 0.0132 -0.0429 395 LEU B N 8154 C CA . LEU B 395 ? 0.2585 0.3237 0.2777 -0.0117 0.0124 -0.0422 395 LEU B CA 8155 C C . LEU B 395 ? 0.2580 0.3146 0.2695 -0.0076 0.0102 -0.0406 395 LEU B C 8156 O O . LEU B 395 ? 0.2689 0.3245 0.2756 -0.0023 0.0085 -0.0418 395 LEU B O 8157 C CB . LEU B 395 ? 0.2595 0.3202 0.2776 -0.0146 0.0146 -0.0397 395 LEU B CB 8158 C CG . LEU B 395 ? 0.2708 0.3384 0.2936 -0.0168 0.0170 -0.0414 395 LEU B CG 8159 C CD1 . LEU B 395 ? 0.2636 0.3359 0.2924 -0.0220 0.0192 -0.0425 395 LEU B CD1 8160 C CD2 . LEU B 395 ? 0.2799 0.3410 0.2990 -0.0178 0.0183 -0.0387 395 LEU B CD2 8161 N N . ALA B 396 ? 0.2494 0.2992 0.2589 -0.0101 0.0105 -0.0381 396 ALA B N 8162 C CA . ALA B 396 ? 0.2556 0.2966 0.2575 -0.0070 0.0092 -0.0366 396 ALA B CA 8163 C C . ALA B 396 ? 0.2566 0.3001 0.2560 -0.0016 0.0067 -0.0393 396 ALA B C 8164 O O . ALA B 396 ? 0.2605 0.2969 0.2517 0.0027 0.0055 -0.0388 396 ALA B O 8165 C CB . ALA B 396 ? 0.2453 0.2804 0.2468 -0.0108 0.0102 -0.0339 396 ALA B CB 8166 N N . LEU B 397 ? 0.2567 0.3101 0.2628 -0.0019 0.0060 -0.0423 397 LEU B N 8167 C CA . LEU B 397 ? 0.2669 0.3247 0.2715 0.0037 0.0032 -0.0457 397 LEU B CA 8168 C C . LEU B 397 ? 0.2732 0.3327 0.2738 0.0098 0.0016 -0.0477 397 LEU B C 8169 O O . LEU B 397 ? 0.2885 0.3429 0.2810 0.0160 -0.0005 -0.0484 397 LEU B O 8170 C CB . LEU B 397 ? 0.2663 0.3359 0.2799 0.0016 0.0029 -0.0492 397 LEU B CB 8171 C CG . LEU B 397 ? 0.2691 0.3356 0.2838 -0.0017 0.0033 -0.0478 397 LEU B CG 8172 C CD1 . LEU B 397 ? 0.2667 0.3438 0.2903 -0.0052 0.0036 -0.0511 397 LEU B CD1 8173 C CD2 . LEU B 397 ? 0.2864 0.3459 0.2931 0.0033 0.0010 -0.0475 397 LEU B CD2 8174 N N . SER B 398 ? 0.2648 0.3304 0.2701 0.0082 0.0030 -0.0486 398 SER B N 8175 C CA . SER B 398 ? 0.2710 0.3379 0.2725 0.0138 0.0018 -0.0503 398 SER B CA 8176 C C . SER B 398 ? 0.2742 0.3269 0.2644 0.0165 0.0016 -0.0469 398 SER B C 8177 O O . SER B 398 ? 0.2878 0.3369 0.2701 0.0233 -0.0004 -0.0481 398 SER B O 8178 C CB . SER B 398 ? 0.2619 0.3377 0.2708 0.0108 0.0039 -0.0516 398 SER B CB 8179 O OG . SER B 398 ? 0.2670 0.3574 0.2850 0.0106 0.0036 -0.0564 398 SER B OG 8180 N N . VAL B 399 ? 0.2730 0.3175 0.2620 0.0111 0.0039 -0.0430 399 VAL B N 8181 C CA . VAL B 399 ? 0.2785 0.3098 0.2577 0.0122 0.0043 -0.0399 399 VAL B CA 8182 C C . VAL B 399 ? 0.2949 0.3158 0.2637 0.0164 0.0029 -0.0393 399 VAL B C 8183 O O . VAL B 399 ? 0.2974 0.3090 0.2560 0.0206 0.0022 -0.0387 399 VAL B O 8184 C CB . VAL B 399 ? 0.2746 0.3010 0.2560 0.0052 0.0068 -0.0365 399 VAL B CB 8185 C CG1 . VAL B 399 ? 0.2802 0.2933 0.2521 0.0054 0.0073 -0.0338 399 VAL B CG1 8186 C CG2 . VAL B 399 ? 0.2596 0.2932 0.2479 0.0023 0.0082 -0.0369 399 VAL B CG2 8187 N N . SER B 400 ? 0.3015 0.3232 0.2721 0.0152 0.0026 -0.0394 400 SER B N 8188 C CA . SER B 400 ? 0.3141 0.3253 0.2749 0.0184 0.0018 -0.0384 400 SER B CA 8189 C C . SER B 400 ? 0.3298 0.3404 0.2829 0.0273 -0.0012 -0.0414 400 SER B C 8190 O O . SER B 400 ? 0.3361 0.3349 0.2776 0.0312 -0.0016 -0.0405 400 SER B O 8191 C CB . SER B 400 ? 0.3270 0.3400 0.2926 0.0146 0.0025 -0.0378 400 SER B CB 8192 O OG . SER B 400 ? 0.3362 0.3614 0.3092 0.0162 0.0006 -0.0412 400 SER B OG 8193 N N . THR B 401 ? 0.3136 0.3368 0.2727 0.0308 -0.0031 -0.0452 401 THR B N 8194 C CA . THR B 401 ? 0.3303 0.3545 0.2826 0.0401 -0.0065 -0.0487 401 THR B CA 8195 C C . THR B 401 ? 0.3510 0.3615 0.2892 0.0451 -0.0067 -0.0471 401 THR B C 8196 O O . THR B 401 ? 0.3456 0.3527 0.2836 0.0421 -0.0049 -0.0452 401 THR B O 8197 C CB . THR B 401 ? 0.3188 0.3601 0.2808 0.0426 -0.0083 -0.0534 401 THR B CB 8198 O OG1 . THR B 401 ? 0.3103 0.3533 0.2749 0.0403 -0.0065 -0.0525 401 THR B OG1 8199 C CG2 . THR B 401 ? 0.3028 0.3576 0.2782 0.0377 -0.0080 -0.0555 401 THR B CG2 8200 N N . PRO B 402 ? 0.3755 0.3772 0.3011 0.0530 -0.0090 -0.0482 402 PRO B N 8201 C CA . PRO B 402 ? 0.3962 0.3826 0.3061 0.0581 -0.0091 -0.0468 402 PRO B CA 8202 C C . PRO B 402 ? 0.4011 0.3928 0.3119 0.0615 -0.0100 -0.0485 402 PRO B C 8203 O O . PRO B 402 ? 0.3899 0.3695 0.2913 0.0617 -0.0087 -0.0462 402 PRO B O 8204 C CB . PRO B 402 ? 0.4135 0.3932 0.3114 0.0671 -0.0120 -0.0487 402 PRO B CB 8205 C CG . PRO B 402 ? 0.4124 0.3977 0.3175 0.0638 -0.0121 -0.0490 402 PRO B CG 8206 C CD . PRO B 402 ? 0.3864 0.3898 0.3104 0.0569 -0.0113 -0.0503 402 PRO B CD 8207 N N . GLU B 403 ? 0.4021 0.4116 0.3239 0.0638 -0.0120 -0.0527 403 GLU B N 8208 C CA . GLU B 403 ? 0.4249 0.4412 0.3487 0.0669 -0.0126 -0.0547 403 GLU B CA 8209 C C . GLU B 403 ? 0.3993 0.4160 0.3300 0.0584 -0.0091 -0.0517 403 GLU B C 8210 O O . GLU B 403 ? 0.3998 0.4113 0.3250 0.0601 -0.0086 -0.0508 403 GLU B O 8211 C CB . GLU B 403 ? 0.4606 0.4972 0.3956 0.0707 -0.0152 -0.0605 403 GLU B CB 8212 C CG . GLU B 403 ? 0.5235 0.5655 0.4560 0.0780 -0.0170 -0.0636 403 GLU B CG 8213 C CD . GLU B 403 ? 0.5761 0.6104 0.4935 0.0901 -0.0209 -0.0660 403 GLU B CD 8214 O OE1 . GLU B 403 ? 0.6052 0.6200 0.5064 0.0930 -0.0206 -0.0627 403 GLU B OE1 8215 O OE2 . GLU B 403 ? 0.5962 0.6436 0.5174 0.0969 -0.0244 -0.0715 403 GLU B OE2 8216 N N . HIS B 404 ? 0.3651 0.3875 0.3070 0.0497 -0.0068 -0.0501 404 HIS B N 8217 C CA . HIS B 404 ? 0.3446 0.3660 0.2918 0.0421 -0.0037 -0.0471 404 HIS B CA 8218 C C . HIS B 404 ? 0.3452 0.3489 0.2815 0.0398 -0.0020 -0.0429 404 HIS B C 8219 O O . HIS B 404 ? 0.3287 0.3283 0.2631 0.0381 -0.0008 -0.0414 404 HIS B O 8220 C CB . HIS B 404 ? 0.3185 0.3496 0.2793 0.0339 -0.0017 -0.0466 404 HIS B CB 8221 C CG . HIS B 404 ? 0.3101 0.3422 0.2762 0.0278 0.0009 -0.0445 404 HIS B CG 8222 N ND1 . HIS B 404 ? 0.3029 0.3456 0.2757 0.0278 0.0015 -0.0466 404 HIS B ND1 8223 C CD2 . HIS B 404 ? 0.3011 0.3245 0.2659 0.0219 0.0031 -0.0407 404 HIS B CD2 8224 C CE1 . HIS B 404 ? 0.3032 0.3429 0.2781 0.0224 0.0039 -0.0440 404 HIS B CE1 8225 N NE2 . HIS B 404 ? 0.3017 0.3300 0.2719 0.0190 0.0046 -0.0405 404 HIS B NE2 8226 N N . LEU B 405 ? 0.3495 0.3428 0.2788 0.0395 -0.0019 -0.0412 405 LEU B N 8227 C CA . LEU B 405 ? 0.3650 0.3413 0.2837 0.0369 0.0000 -0.0376 405 LEU B CA 8228 C C . LEU B 405 ? 0.3854 0.3511 0.2910 0.0429 -0.0007 -0.0378 405 LEU B C 8229 O O . LEU B 405 ? 0.3797 0.3354 0.2800 0.0396 0.0010 -0.0355 405 LEU B O 8230 C CB . LEU B 405 ? 0.3668 0.3337 0.2790 0.0365 0.0006 -0.0363 405 LEU B CB 8231 C CG . LEU B 405 ? 0.3564 0.3306 0.2796 0.0301 0.0018 -0.0355 405 LEU B CG 8232 C CD1 . LEU B 405 ? 0.3667 0.3318 0.2820 0.0316 0.0019 -0.0348 405 LEU B CD1 8233 C CD2 . LEU B 405 ? 0.3524 0.3262 0.2821 0.0215 0.0047 -0.0328 405 LEU B CD2 8234 N N . HIS B 406 ? 0.4074 0.3755 0.3075 0.0519 -0.0037 -0.0408 406 HIS B N 8235 C CA . HIS B 406 ? 0.4319 0.3913 0.3196 0.0588 -0.0049 -0.0415 406 HIS B CA 8236 C C . HIS B 406 ? 0.4233 0.3899 0.3177 0.0568 -0.0043 -0.0417 406 HIS B C 8237 O O . HIS B 406 ? 0.4237 0.3789 0.3090 0.0570 -0.0034 -0.0400 406 HIS B O 8238 C CB . HIS B 406 ? 0.4613 0.4235 0.3423 0.0697 -0.0087 -0.0453 406 HIS B CB 8239 C CG . HIS B 406 ? 0.4954 0.4496 0.3637 0.0777 -0.0102 -0.0463 406 HIS B CG 8240 N ND1 . HIS B 406 ? 0.5203 0.4531 0.3700 0.0804 -0.0095 -0.0440 406 HIS B ND1 8241 C CD2 . HIS B 406 ? 0.5127 0.4772 0.3838 0.0835 -0.0122 -0.0494 406 HIS B CD2 8242 C CE1 . HIS B 406 ? 0.5391 0.4686 0.3800 0.0878 -0.0112 -0.0456 406 HIS B CE1 8243 N NE2 . HIS B 406 ? 0.5241 0.4731 0.3781 0.0900 -0.0130 -0.0489 406 HIS B NE2 8244 N N . LYS B 407 ? 0.4149 0.3995 0.3244 0.0547 -0.0045 -0.0438 407 LYS B N 8245 C CA . LYS B 407 ? 0.4181 0.4099 0.3344 0.0524 -0.0034 -0.0440 407 LYS B CA 8246 C C . LYS B 407 ? 0.4130 0.3952 0.3283 0.0448 -0.0007 -0.0401 407 LYS B C 8247 O O . LYS B 407 ? 0.4184 0.3969 0.3302 0.0452 -0.0002 -0.0395 407 LYS B O 8248 C CB . LYS B 407 ? 0.4199 0.4315 0.3528 0.0496 -0.0031 -0.0465 407 LYS B CB 8249 C CG . LYS B 407 ? 0.4512 0.4757 0.3868 0.0573 -0.0057 -0.0514 407 LYS B CG 8250 C CD . LYS B 407 ? 0.4632 0.5061 0.4149 0.0533 -0.0051 -0.0542 407 LYS B CD 8251 C CE . LYS B 407 ? 0.4922 0.5489 0.4471 0.0609 -0.0079 -0.0598 407 LYS B CE 8252 N NZ . LYS B 407 ? 0.4941 0.5684 0.4647 0.0562 -0.0070 -0.0629 407 LYS B NZ 8253 N N . ILE B 408 ? 0.3907 0.3691 0.3088 0.0382 0.0009 -0.0377 408 ILE B N 8254 C CA . ILE B 408 ? 0.3844 0.3556 0.3029 0.0309 0.0033 -0.0347 408 ILE B CA 8255 C C . ILE B 408 ? 0.3955 0.3483 0.3002 0.0306 0.0041 -0.0325 408 ILE B C 8256 O O . ILE B 408 ? 0.4043 0.3510 0.3094 0.0241 0.0061 -0.0304 408 ILE B O 8257 C CB . ILE B 408 ? 0.3656 0.3452 0.2970 0.0231 0.0050 -0.0336 408 ILE B CB 8258 C CG1 . ILE B 408 ? 0.3592 0.3372 0.2906 0.0220 0.0050 -0.0332 408 ILE B CG1 8259 C CG2 . ILE B 408 ? 0.3499 0.3456 0.2934 0.0227 0.0048 -0.0356 408 ILE B CG2 8260 C CD1 . ILE B 408 ? 0.3573 0.3394 0.2983 0.0143 0.0068 -0.0316 408 ILE B CD1 8261 N N . GLY B 409 ? 0.4068 0.3508 0.2989 0.0378 0.0027 -0.0335 409 GLY B N 8262 C CA . GLY B 409 ? 0.4314 0.3561 0.3076 0.0385 0.0037 -0.0318 409 GLY B CA 8263 C C . GLY B 409 ? 0.4401 0.3557 0.3130 0.0337 0.0058 -0.0299 409 GLY B C 8264 O O . GLY B 409 ? 0.4596 0.3598 0.3219 0.0311 0.0078 -0.0283 409 GLY B O 8265 N N . LEU B 410 ? 0.4333 0.3581 0.3147 0.0325 0.0055 -0.0304 410 LEU B N 8266 C CA . LEU B 410 ? 0.4447 0.3622 0.3240 0.0279 0.0077 -0.0287 410 LEU B CA 8267 C C . LEU B 410 ? 0.4725 0.3810 0.3396 0.0344 0.0068 -0.0293 410 LEU B C 8268 O O . LEU B 410 ? 0.4907 0.3907 0.3532 0.0315 0.0089 -0.0279 410 LEU B O 8269 C CB . LEU B 410 ? 0.4115 0.3429 0.3070 0.0218 0.0083 -0.0284 410 LEU B CB 8270 C CG . LEU B 410 ? 0.3977 0.3344 0.3030 0.0143 0.0099 -0.0273 410 LEU B CG 8271 C CD1 . LEU B 410 ? 0.3746 0.3241 0.2943 0.0095 0.0103 -0.0272 410 LEU B CD1 8272 C CD2 . LEU B 410 ? 0.3955 0.3185 0.2934 0.0092 0.0125 -0.0255 410 LEU B CD2 8273 N N . LEU B 411 ? 0.4979 0.4083 0.3595 0.0435 0.0037 -0.0316 411 LEU B N 8274 C CA . LEU B 411 ? 0.5432 0.4463 0.3933 0.0510 0.0021 -0.0327 411 LEU B CA 8275 C C . LEU B 411 ? 0.5780 0.4768 0.4165 0.0613 -0.0007 -0.0349 411 LEU B C 8276 O O . LEU B 411 ? 0.5657 0.4772 0.4119 0.0643 -0.0029 -0.0370 411 LEU B O 8277 C CB . LEU B 411 ? 0.5305 0.4492 0.3928 0.0517 0.0003 -0.0345 411 LEU B CB 8278 C CG . LEU B 411 ? 0.5459 0.4587 0.3996 0.0570 -0.0008 -0.0353 411 LEU B CG 8279 C CD1 . LEU B 411 ? 0.5473 0.4464 0.3949 0.0508 0.0029 -0.0321 411 LEU B CD1 8280 C CD2 . LEU B 411 ? 0.5233 0.4548 0.3908 0.0584 -0.0035 -0.0381 411 LEU B CD2 8281 N N . ASP B 412 ? 0.6372 0.5176 0.4565 0.0671 -0.0007 -0.0344 412 ASP B N 8282 C CA . ASP B 412 ? 0.7076 0.5836 0.5142 0.0789 -0.0041 -0.0370 412 ASP B CA 8283 C C . ASP B 412 ? 0.7294 0.6237 0.5457 0.0853 -0.0082 -0.0408 412 ASP B C 8284 O O . ASP B 412 ? 0.7174 0.6185 0.5415 0.0825 -0.0081 -0.0409 412 ASP B O 8285 C CB . ASP B 412 ? 0.7640 0.6156 0.5469 0.0839 -0.0031 -0.0357 412 ASP B CB 8286 C CG . ASP B 412 ? 0.8013 0.6337 0.5710 0.0805 0.0000 -0.0332 412 ASP B CG 8287 O OD1 . ASP B 412 ? 0.8102 0.6483 0.5896 0.0736 0.0015 -0.0322 412 ASP B OD1 8288 O OD2 . ASP B 412 ? 0.8557 0.6663 0.6042 0.0847 0.0012 -0.0322 412 ASP B OD2 8289 N N . ARG B 413 ? 0.7418 0.6447 0.5582 0.0937 -0.0118 -0.0442 413 ARG B N 8290 C CA . ARG B 413 ? 0.7554 0.6774 0.5821 0.0996 -0.0157 -0.0486 413 ARG B CA 8291 C C . ARG B 413 ? 0.7530 0.6680 0.5700 0.1053 -0.0174 -0.0496 413 ARG B C 8292 O O . ARG B 413 ? 0.7666 0.6625 0.5633 0.1121 -0.0179 -0.0489 413 ARG B O 8293 C CB . ARG B 413 ? 0.8102 0.7404 0.6354 0.1090 -0.0192 -0.0526 413 ARG B CB 8294 C CG . ARG B 413 ? 0.8563 0.8126 0.7000 0.1106 -0.0220 -0.0573 413 ARG B CG 8295 C CD . ARG B 413 ? 0.9185 0.8820 0.7580 0.1224 -0.0260 -0.0621 413 ARG B CD 8296 N NE . ARG B 413 ? 0.9520 0.9418 0.8113 0.1217 -0.0275 -0.0667 413 ARG B NE 8297 C CZ . ARG B 413 ? 0.9743 0.9757 0.8437 0.1193 -0.0265 -0.0677 413 ARG B CZ 8298 N NH1 . ARG B 413 ? 0.9704 0.9598 0.8320 0.1177 -0.0244 -0.0644 413 ARG B NH1 8299 N NH2 . ARG B 413 ? 0.9946 1.0195 0.8816 0.1183 -0.0274 -0.0721 413 ARG B NH2 8300 N N . VAL B 414 ? 0.7430 0.6723 0.5736 0.1024 -0.0183 -0.0510 414 VAL B N 8301 C CA . VAL B 414 ? 0.7640 0.6873 0.5866 0.1070 -0.0198 -0.0518 414 VAL B CA 8302 C C . VAL B 414 ? 0.7812 0.7148 0.6019 0.1193 -0.0254 -0.0575 414 VAL B C 8303 O O . VAL B 414 ? 0.7727 0.7264 0.6075 0.1207 -0.0277 -0.0614 414 VAL B O 8304 C CB . VAL B 414 ? 0.7600 0.6915 0.5967 0.0976 -0.0178 -0.0504 414 VAL B CB 8305 C CG1 . VAL B 414 ? 0.7363 0.6926 0.5919 0.0977 -0.0207 -0.0547 414 VAL B CG1 8306 C CG2 . VAL B 414 ? 0.7733 0.6891 0.5966 0.0995 -0.0170 -0.0487 414 VAL B CG2 8307 N N . THR B 415 ? 0.8069 0.7267 0.6098 0.1286 -0.0276 -0.0584 415 THR B N 8308 C CA . THR B 415 ? 0.8128 0.7430 0.6139 0.1410 -0.0335 -0.0644 415 THR B CA 8309 C C . THR B 415 ? 0.7651 0.7141 0.5832 0.1378 -0.0352 -0.0672 415 THR B C 8310 O O . THR B 415 ? 0.7700 0.7134 0.5892 0.1315 -0.0328 -0.0643 415 THR B O 8311 C CB . THR B 415 ? 0.8566 0.7657 0.6315 0.1536 -0.0360 -0.0649 415 THR B CB 8312 O OG1 . THR B 415 ? 0.8985 0.7944 0.6651 0.1517 -0.0344 -0.0624 415 THR B OG1 8313 C CG2 . THR B 415 ? 0.8756 0.7634 0.6322 0.1557 -0.0337 -0.0617 415 THR B CG2 8314 N N . ASN B 416 ? 0.7357 0.7086 0.5698 0.1405 -0.0389 -0.0731 416 ASN B N 8315 C CA . ASN B 416 ? 0.6946 0.6882 0.5476 0.1362 -0.0402 -0.0764 416 ASN B CA 8316 C C . ASN B 416 ? 0.7092 0.7014 0.5546 0.1448 -0.0445 -0.0798 416 ASN B C 8317 O O . ASN B 416 ? 0.7213 0.7308 0.5738 0.1517 -0.0493 -0.0863 416 ASN B O 8318 C CB . ASN B 416 ? 0.6809 0.6990 0.5514 0.1364 -0.0420 -0.0816 416 ASN B CB 8319 C CG . ASN B 416 ? 0.6679 0.7079 0.5593 0.1300 -0.0425 -0.0850 416 ASN B CG 8320 O OD1 . ASN B 416 ? 0.6527 0.6910 0.5509 0.1204 -0.0394 -0.0815 416 ASN B OD1 8321 N ND2 . ASN B 416 ? 0.6757 0.7365 0.5775 0.1353 -0.0462 -0.0920 416 ASN B ND2 8322 N N . ASP B 417 ? 0.6976 0.6693 0.5273 0.1454 -0.0428 -0.0755 417 ASP B N 8323 C CA . ASP B 417 ? 0.6956 0.6632 0.5163 0.1531 -0.0464 -0.0780 417 ASP B CA 8324 C C . ASP B 417 ? 0.6712 0.6428 0.5025 0.1440 -0.0443 -0.0762 417 ASP B C 8325 O O . ASP B 417 ? 0.6444 0.6189 0.4878 0.1317 -0.0397 -0.0724 417 ASP B O 8326 C CB . ASP B 417 ? 0.7453 0.6849 0.5379 0.1620 -0.0463 -0.0753 417 ASP B CB 8327 C CG . ASP B 417 ? 0.7684 0.6860 0.5517 0.1527 -0.0396 -0.0677 417 ASP B CG 8328 O OD1 . ASP B 417 ? 0.7548 0.6761 0.5506 0.1407 -0.0356 -0.0644 417 ASP B OD1 8329 O OD2 . ASP B 417 ? 0.7955 0.6916 0.5582 0.1576 -0.0383 -0.0652 417 ASP B OD2 8330 N N . THR B 418 ? 0.6642 0.6358 0.4904 0.1507 -0.0480 -0.0792 418 THR B N 8331 C CA . THR B 418 ? 0.6354 0.6113 0.4707 0.1437 -0.0468 -0.0783 418 THR B CA 8332 C C . THR B 418 ? 0.6166 0.5739 0.4459 0.1340 -0.0404 -0.0707 418 THR B C 8333 O O . THR B 418 ? 0.5896 0.5547 0.4335 0.1231 -0.0374 -0.0687 418 THR B O 8334 C CB . THR B 418 ? 0.6682 0.6437 0.4949 0.1543 -0.0522 -0.0828 418 THR B CB 8335 O OG1 . THR B 418 ? 0.6861 0.6798 0.5185 0.1637 -0.0583 -0.0904 418 THR B OG1 8336 C CG2 . THR B 418 ? 0.6625 0.6455 0.5008 0.1472 -0.0515 -0.0827 418 THR B CG2 8337 N N . GLU B 419 ? 0.6179 0.5512 0.4259 0.1378 -0.0382 -0.0669 419 GLU B N 8338 C CA . GLU B 419 ? 0.6292 0.5440 0.4300 0.1290 -0.0319 -0.0602 419 GLU B CA 8339 C C . GLU B 419 ? 0.6088 0.5303 0.4249 0.1161 -0.0272 -0.0567 419 GLU B C 8340 O O . GLU B 419 ? 0.5874 0.5097 0.4120 0.1062 -0.0234 -0.0536 419 GLU B O 8341 C CB . GLU B 419 ? 0.6738 0.5613 0.4482 0.1354 -0.0300 -0.0573 419 GLU B CB 8342 C CG . GLU B 419 ? 0.7266 0.6002 0.4819 0.1461 -0.0327 -0.0587 419 GLU B CG 8343 C CD . GLU B 419 ? 0.7588 0.6399 0.5087 0.1605 -0.0400 -0.0651 419 GLU B CD 8344 O OE1 . GLU B 419 ? 0.7556 0.6474 0.5113 0.1634 -0.0423 -0.0677 419 GLU B OE1 8345 O OE2 . GLU B 419 ? 0.8041 0.6806 0.5436 0.1694 -0.0435 -0.0676 419 GLU B OE2 8346 N N . SER B 420 ? 0.5920 0.5183 0.4110 0.1168 -0.0275 -0.0575 420 SER B N 8347 C CA . SER B 420 ? 0.5852 0.5186 0.4181 0.1059 -0.0238 -0.0549 420 SER B CA 8348 C C . SER B 420 ? 0.5545 0.5096 0.4103 0.0981 -0.0239 -0.0564 420 SER B C 8349 O O . SER B 420 ? 0.5400 0.4964 0.4053 0.0875 -0.0199 -0.0529 420 SER B O 8350 C CB . SER B 420 ? 0.6086 0.5449 0.4403 0.1098 -0.0250 -0.0563 420 SER B CB 8351 O OG . SER B 420 ? 0.6462 0.5597 0.4571 0.1137 -0.0232 -0.0535 420 SER B OG 8352 N N . ASP B 421 ? 0.5359 0.5076 0.3999 0.1035 -0.0287 -0.0619 421 ASP B N 8353 C CA . ASP B 421 ? 0.5213 0.5133 0.4060 0.0966 -0.0290 -0.0641 421 ASP B CA 8354 C C . ASP B 421 ? 0.5070 0.4938 0.3935 0.0901 -0.0265 -0.0611 421 ASP B C 8355 O O . ASP B 421 ? 0.4788 0.4721 0.3782 0.0799 -0.0233 -0.0588 421 ASP B O 8356 C CB . ASP B 421 ? 0.5326 0.5418 0.4236 0.1046 -0.0346 -0.0712 421 ASP B CB 8357 C CG . ASP B 421 ? 0.5411 0.5731 0.4529 0.0988 -0.0348 -0.0746 421 ASP B CG 8358 O OD1 . ASP B 421 ? 0.5529 0.5862 0.4715 0.0913 -0.0311 -0.0716 421 ASP B OD1 8359 O OD2 . ASP B 421 ? 0.5519 0.6005 0.4731 0.1019 -0.0385 -0.0805 421 ASP B OD2 8360 N N . ILE B 422 ? 0.5079 0.4825 0.3805 0.0963 -0.0279 -0.0610 422 ILE B N 8361 C CA . ILE B 422 ? 0.4964 0.4646 0.3683 0.0915 -0.0257 -0.0582 422 ILE B CA 8362 C C . ILE B 422 ? 0.4716 0.4277 0.3419 0.0820 -0.0195 -0.0521 422 ILE B C 8363 O O . ILE B 422 ? 0.4553 0.4156 0.3357 0.0735 -0.0169 -0.0500 422 ILE B O 8364 C CB . ILE B 422 ? 0.5221 0.4767 0.3762 0.1011 -0.0281 -0.0592 422 ILE B CB 8365 C CG1 . ILE B 422 ? 0.5296 0.4992 0.3884 0.1095 -0.0345 -0.0659 422 ILE B CG1 8366 C CG2 . ILE B 422 ? 0.5270 0.4696 0.3764 0.0957 -0.0243 -0.0550 422 ILE B CG2 8367 C CD1 . ILE B 422 ? 0.5284 0.5183 0.4077 0.1028 -0.0355 -0.0687 422 ILE B CD1 8368 N N . ASN B 423 ? 0.4576 0.3989 0.3150 0.0837 -0.0174 -0.0495 423 ASN B N 8369 C CA . ASN B 423 ? 0.4506 0.3819 0.3072 0.0748 -0.0119 -0.0444 423 ASN B CA 8370 C C . ASN B 423 ? 0.4342 0.3809 0.3104 0.0650 -0.0101 -0.0437 423 ASN B C 8371 O O . ASN B 423 ? 0.4174 0.3626 0.2993 0.0565 -0.0065 -0.0405 423 ASN B O 8372 C CB . ASN B 423 ? 0.4575 0.3731 0.2987 0.0783 -0.0105 -0.0428 423 ASN B CB 8373 C CG . ASN B 423 ? 0.4695 0.3616 0.2896 0.0815 -0.0080 -0.0401 423 ASN B CG 8374 O OD1 . ASN B 423 ? 0.4658 0.3531 0.2813 0.0827 -0.0078 -0.0398 423 ASN B OD1 8375 N ND2 . ASN B 423 ? 0.4796 0.3560 0.2860 0.0826 -0.0057 -0.0381 423 ASN B ND2 8376 N N . TYR B 424 ? 0.4173 0.3785 0.3034 0.0664 -0.0127 -0.0468 424 TYR B N 8377 C CA . TYR B 424 ? 0.4007 0.3755 0.3039 0.0579 -0.0111 -0.0463 424 TYR B CA 8378 C C . TYR B 424 ? 0.3850 0.3717 0.3018 0.0523 -0.0110 -0.0471 424 TYR B C 8379 O O . TYR B 424 ? 0.3534 0.3414 0.2781 0.0437 -0.0078 -0.0442 424 TYR B O 8380 C CB . TYR B 424 ? 0.3962 0.3836 0.3059 0.0612 -0.0136 -0.0498 424 TYR B CB 8381 C CG . TYR B 424 ? 0.3874 0.3883 0.3138 0.0528 -0.0117 -0.0495 424 TYR B CG 8382 C CD1 . TYR B 424 ? 0.3768 0.3717 0.3046 0.0454 -0.0079 -0.0454 424 TYR B CD1 8383 C CD2 . TYR B 424 ? 0.3720 0.3914 0.3123 0.0521 -0.0138 -0.0536 424 TYR B CD2 8384 C CE1 . TYR B 424 ? 0.3675 0.3734 0.3090 0.0384 -0.0062 -0.0451 424 TYR B CE1 8385 C CE2 . TYR B 424 ? 0.3603 0.3901 0.3141 0.0444 -0.0116 -0.0532 424 TYR B CE2 8386 C CZ . TYR B 424 ? 0.3546 0.3772 0.3085 0.0379 -0.0079 -0.0488 424 TYR B CZ 8387 O OH . TYR B 424 ? 0.3350 0.3666 0.3008 0.0308 -0.0058 -0.0483 424 TYR B OH 8388 N N . LEU B 425 ? 0.3792 0.3744 0.2982 0.0576 -0.0148 -0.0512 425 LEU B N 8389 C CA . LEU B 425 ? 0.3815 0.3880 0.3127 0.0530 -0.0152 -0.0526 425 LEU B CA 8390 C C . LEU B 425 ? 0.3760 0.3722 0.3033 0.0487 -0.0124 -0.0488 425 LEU B C 8391 O O . LEU B 425 ? 0.3734 0.3764 0.3113 0.0419 -0.0109 -0.0480 425 LEU B O 8392 C CB . LEU B 425 ? 0.3882 0.4061 0.3221 0.0599 -0.0201 -0.0584 425 LEU B CB 8393 C CG . LEU B 425 ? 0.3942 0.4296 0.3392 0.0613 -0.0226 -0.0633 425 LEU B CG 8394 C CD1 . LEU B 425 ? 0.4017 0.4472 0.3475 0.0692 -0.0277 -0.0695 425 LEU B CD1 8395 C CD2 . LEU B 425 ? 0.3817 0.4295 0.3431 0.0515 -0.0200 -0.0630 425 LEU B CD2 8396 N N . LEU B 426 ? 0.3807 0.3602 0.2925 0.0525 -0.0114 -0.0464 426 LEU B N 8397 C CA . LEU B 426 ? 0.3772 0.3467 0.2852 0.0482 -0.0081 -0.0428 426 LEU B CA 8398 C C . LEU B 426 ? 0.3666 0.3344 0.2806 0.0388 -0.0035 -0.0389 426 LEU B C 8399 O O . LEU B 426 ? 0.3527 0.3233 0.2739 0.0326 -0.0014 -0.0373 426 LEU B O 8400 C CB . LEU B 426 ? 0.3976 0.3486 0.2866 0.0542 -0.0074 -0.0413 426 LEU B CB 8401 C CG . LEU B 426 ? 0.4051 0.3459 0.2907 0.0484 -0.0030 -0.0374 426 LEU B CG 8402 C CD1 . LEU B 426 ? 0.4004 0.3472 0.2908 0.0487 -0.0046 -0.0388 426 LEU B CD1 8403 C CD2 . LEU B 426 ? 0.4284 0.3485 0.2950 0.0516 -0.0002 -0.0348 426 LEU B CD2 8404 N N . LYS B 427 ? 0.3590 0.3225 0.2699 0.0382 -0.0021 -0.0377 427 LYS B N 8405 C CA . LYS B 427 ? 0.3494 0.3125 0.2665 0.0299 0.0015 -0.0346 427 LYS B CA 8406 C C . LYS B 427 ? 0.3310 0.3099 0.2648 0.0243 0.0011 -0.0356 427 LYS B C 8407 O O . LYS B 427 ? 0.3249 0.3046 0.2649 0.0174 0.0039 -0.0332 427 LYS B O 8408 C CB . LYS B 427 ? 0.3595 0.3168 0.2708 0.0310 0.0022 -0.0339 427 LYS B CB 8409 C CG . LYS B 427 ? 0.3565 0.3122 0.2728 0.0229 0.0059 -0.0310 427 LYS B CG 8410 C CD . LYS B 427 ? 0.3713 0.3213 0.2818 0.0242 0.0063 -0.0305 427 LYS B CD 8411 C CE . LYS B 427 ? 0.3679 0.3164 0.2833 0.0162 0.0097 -0.0280 427 LYS B CE 8412 N NZ . LYS B 427 ? 0.3718 0.3355 0.3028 0.0118 0.0090 -0.0287 427 LYS B NZ 8413 N N . MET B 428 ? 0.3204 0.3117 0.2612 0.0272 -0.0020 -0.0392 428 MET B N 8414 C CA . MET B 428 ? 0.3116 0.3171 0.2672 0.0219 -0.0021 -0.0404 428 MET B CA 8415 C C . MET B 428 ? 0.2987 0.3074 0.2589 0.0195 -0.0022 -0.0406 428 MET B C 8416 O O . MET B 428 ? 0.2903 0.3049 0.2599 0.0132 -0.0006 -0.0398 428 MET B O 8417 C CB . MET B 428 ? 0.3147 0.3328 0.2766 0.0251 -0.0049 -0.0445 428 MET B CB 8418 C CG . MET B 428 ? 0.3276 0.3443 0.2871 0.0265 -0.0045 -0.0442 428 MET B CG 8419 S SD . MET B 428 ? 0.3415 0.3538 0.3043 0.0184 -0.0004 -0.0399 428 MET B SD 8420 C CE . MET B 428 ? 0.3087 0.3360 0.2875 0.0119 0.0002 -0.0412 428 MET B CE 8421 N N . ALA B 429 ? 0.2957 0.2995 0.2481 0.0248 -0.0040 -0.0418 429 ALA B N 8422 C CA . ALA B 429 ? 0.2887 0.2940 0.2439 0.0231 -0.0041 -0.0419 429 ALA B CA 8423 C C . ALA B 429 ? 0.2839 0.2809 0.2377 0.0173 -0.0001 -0.0375 429 ALA B C 8424 O O . ALA B 429 ? 0.2688 0.2702 0.2300 0.0124 0.0008 -0.0369 429 ALA B O 8425 C CB . ALA B 429 ? 0.3064 0.3070 0.2521 0.0307 -0.0070 -0.0440 429 ALA B CB 8426 N N . LEU B 430 ? 0.2862 0.2710 0.2304 0.0178 0.0021 -0.0348 430 LEU B N 8427 C CA . LEU B 430 ? 0.2902 0.2677 0.2332 0.0123 0.0062 -0.0312 430 LEU B CA 8428 C C . LEU B 430 ? 0.2874 0.2730 0.2422 0.0052 0.0078 -0.0301 430 LEU B C 8429 O O . LEU B 430 ? 0.2749 0.2607 0.2337 0.0006 0.0099 -0.0284 430 LEU B O 8430 C CB . LEU B 430 ? 0.2975 0.2611 0.2284 0.0135 0.0086 -0.0291 430 LEU B CB 8431 C CG . LEU B 430 ? 0.3060 0.2575 0.2221 0.0202 0.0081 -0.0293 430 LEU B CG 8432 C CD1 . LEU B 430 ? 0.3174 0.2545 0.2212 0.0207 0.0109 -0.0273 430 LEU B CD1 8433 C CD2 . LEU B 430 ? 0.3078 0.2553 0.2211 0.0199 0.0092 -0.0285 430 LEU B CD2 8434 N N . GLU B 431 ? 0.2942 0.2864 0.2542 0.0049 0.0067 -0.0313 431 GLU B N 8435 C CA . GLU B 431 ? 0.3022 0.3010 0.2718 -0.0009 0.0081 -0.0304 431 GLU B CA 8436 C C . GLU B 431 ? 0.2957 0.3050 0.2752 -0.0032 0.0070 -0.0320 431 GLU B C 8437 O O . GLU B 431 ? 0.3031 0.3145 0.2882 -0.0081 0.0087 -0.0306 431 GLU B O 8438 C CB . GLU B 431 ? 0.3149 0.3154 0.2849 0.0000 0.0077 -0.0310 431 GLU B CB 8439 C CG . GLU B 431 ? 0.3267 0.3313 0.3042 -0.0057 0.0094 -0.0297 431 GLU B CG 8440 C CD . GLU B 431 ? 0.3398 0.3475 0.3183 -0.0045 0.0087 -0.0306 431 GLU B CD 8441 O OE1 . GLU B 431 ? 0.3431 0.3467 0.3145 0.0003 0.0074 -0.0315 431 GLU B OE1 8442 O OE2 . GLU B 431 ? 0.3289 0.3425 0.3147 -0.0081 0.0094 -0.0305 431 GLU B OE2 8443 N N . LYS B 432 ? 0.2926 0.3084 0.2738 0.0002 0.0042 -0.0353 432 LYS B N 8444 C CA . LYS B 432 ? 0.2819 0.3083 0.2727 -0.0024 0.0033 -0.0375 432 LYS B CA 8445 C C . LYS B 432 ? 0.2926 0.3199 0.2838 -0.0020 0.0022 -0.0386 432 LYS B C 8446 O O . LYS B 432 ? 0.2879 0.3175 0.2843 -0.0065 0.0034 -0.0379 432 LYS B O 8447 C CB . LYS B 432 ? 0.2786 0.3142 0.2734 0.0000 0.0012 -0.0411 432 LYS B CB 8448 C CG . LYS B 432 ? 0.2781 0.3136 0.2730 -0.0004 0.0022 -0.0403 432 LYS B CG 8449 C CD . LYS B 432 ? 0.2649 0.3026 0.2664 -0.0068 0.0048 -0.0384 432 LYS B CD 8450 C CE . LYS B 432 ? 0.2744 0.3127 0.2762 -0.0069 0.0055 -0.0380 432 LYS B CE 8451 N NZ . LYS B 432 ? 0.2744 0.3124 0.2804 -0.0126 0.0080 -0.0357 432 LYS B NZ 8452 N N . ILE B 433 ? 0.2912 0.3161 0.2763 0.0036 0.0000 -0.0403 433 ILE B N 8453 C CA . ILE B 433 ? 0.2926 0.3179 0.2771 0.0048 -0.0014 -0.0416 433 ILE B CA 8454 C C . ILE B 433 ? 0.2830 0.3001 0.2644 0.0018 0.0012 -0.0380 433 ILE B C 8455 O O . ILE B 433 ? 0.2813 0.3008 0.2666 -0.0007 0.0013 -0.0381 433 ILE B O 8456 C CB . ILE B 433 ? 0.3028 0.3253 0.2792 0.0125 -0.0046 -0.0441 433 ILE B CB 8457 C CG1 . ILE B 433 ? 0.3117 0.3435 0.2912 0.0163 -0.0076 -0.0484 433 ILE B CG1 8458 C CG2 . ILE B 433 ? 0.3049 0.3274 0.2803 0.0138 -0.0062 -0.0455 433 ILE B CG2 8459 C CD1 . ILE B 433 ? 0.3148 0.3603 0.3063 0.0126 -0.0086 -0.0519 433 ILE B CD1 8460 N N . ALA B 434 ? 0.2691 0.2768 0.2437 0.0021 0.0035 -0.0349 434 ALA B N 8461 C CA . ALA B 434 ? 0.2669 0.2675 0.2386 -0.0006 0.0064 -0.0318 434 ALA B CA 8462 C C . ALA B 434 ? 0.2473 0.2527 0.2276 -0.0067 0.0081 -0.0305 434 ALA B C 8463 O O . ALA B 434 ? 0.2466 0.2495 0.2265 -0.0084 0.0095 -0.0292 434 ALA B O 8464 C CB . ALA B 434 ? 0.2693 0.2598 0.2330 -0.0002 0.0090 -0.0293 434 ALA B CB 8465 N N . PHE B 435 ? 0.2334 0.2452 0.2204 -0.0094 0.0081 -0.0311 435 PHE B N 8466 C CA . PHE B 435 ? 0.2220 0.2375 0.2158 -0.0146 0.0096 -0.0300 435 PHE B CA 8467 C C . PHE B 435 ? 0.2255 0.2462 0.2240 -0.0159 0.0084 -0.0317 435 PHE B C 8468 O O . PHE B 435 ? 0.2250 0.2456 0.2260 -0.0191 0.0098 -0.0305 435 PHE B O 8469 C CB . PHE B 435 ? 0.2153 0.2347 0.2134 -0.0168 0.0101 -0.0300 435 PHE B CB 8470 C CG . PHE B 435 ? 0.2073 0.2292 0.2109 -0.0213 0.0116 -0.0289 435 PHE B CG 8471 C CD1 . PHE B 435 ? 0.2074 0.2253 0.2102 -0.0235 0.0136 -0.0264 435 PHE B CD1 8472 C CD2 . PHE B 435 ? 0.2046 0.2324 0.2136 -0.0235 0.0111 -0.0305 435 PHE B CD2 8473 C CE1 . PHE B 435 ? 0.2001 0.2200 0.2069 -0.0267 0.0146 -0.0256 435 PHE B CE1 8474 C CE2 . PHE B 435 ? 0.2031 0.2314 0.2151 -0.0271 0.0125 -0.0294 435 PHE B CE2 8475 C CZ . PHE B 435 ? 0.2001 0.2244 0.2108 -0.0283 0.0140 -0.0269 435 PHE B CZ 8476 N N . LEU B 436 ? 0.2299 0.2553 0.2293 -0.0134 0.0059 -0.0349 436 LEU B N 8477 C CA . LEU B 436 ? 0.2356 0.2666 0.2399 -0.0153 0.0049 -0.0373 436 LEU B CA 8478 C C . LEU B 436 ? 0.2378 0.2650 0.2409 -0.0168 0.0057 -0.0359 436 LEU B C 8479 O O . LEU B 436 ? 0.2329 0.2619 0.2398 -0.0207 0.0067 -0.0357 436 LEU B O 8480 C CB . LEU B 436 ? 0.2365 0.2733 0.2416 -0.0118 0.0017 -0.0415 436 LEU B CB 8481 C CG . LEU B 436 ? 0.2458 0.2891 0.2540 -0.0107 0.0008 -0.0438 436 LEU B CG 8482 C CD1 . LEU B 436 ? 0.2471 0.2954 0.2544 -0.0055 -0.0027 -0.0480 436 LEU B CD1 8483 C CD2 . LEU B 436 ? 0.2430 0.2930 0.2591 -0.0160 0.0023 -0.0447 436 LEU B CD2 8484 N N . PRO B 437 ? 0.2405 0.2616 0.2373 -0.0136 0.0055 -0.0348 437 PRO B N 8485 C CA . PRO B 437 ? 0.2379 0.2556 0.2335 -0.0149 0.0065 -0.0335 437 PRO B CA 8486 C C . PRO B 437 ? 0.2327 0.2487 0.2303 -0.0187 0.0092 -0.0306 437 PRO B C 8487 O O . PRO B 437 ? 0.2330 0.2489 0.2321 -0.0207 0.0097 -0.0304 437 PRO B O 8488 C CB . PRO B 437 ? 0.2492 0.2598 0.2368 -0.0107 0.0065 -0.0324 437 PRO B CB 8489 C CG . PRO B 437 ? 0.2516 0.2602 0.2356 -0.0081 0.0064 -0.0323 437 PRO B CG 8490 C CD . PRO B 437 ? 0.2494 0.2662 0.2392 -0.0084 0.0043 -0.0351 437 PRO B CD 8491 N N . PHE B 438 ? 0.2238 0.2380 0.2209 -0.0193 0.0108 -0.0288 438 PHE B N 8492 C CA . PHE B 438 ? 0.2142 0.2276 0.2133 -0.0223 0.0130 -0.0266 438 PHE B CA 8493 C C . PHE B 438 ? 0.2077 0.2254 0.2121 -0.0254 0.0130 -0.0272 438 PHE B C 8494 O O . PHE B 438 ? 0.2059 0.2230 0.2114 -0.0273 0.0138 -0.0264 438 PHE B O 8495 C CB . PHE B 438 ? 0.2107 0.2211 0.2078 -0.0222 0.0147 -0.0250 438 PHE B CB 8496 C CG . PHE B 438 ? 0.2172 0.2272 0.2162 -0.0248 0.0168 -0.0232 438 PHE B CG 8497 C CD1 . PHE B 438 ? 0.2146 0.2222 0.2120 -0.0248 0.0182 -0.0222 438 PHE B CD1 8498 C CD2 . PHE B 438 ? 0.2099 0.2223 0.2123 -0.0270 0.0172 -0.0228 438 PHE B CD2 8499 C CE1 . PHE B 438 ? 0.2174 0.2259 0.2171 -0.0268 0.0199 -0.0212 438 PHE B CE1 8500 C CE2 . PHE B 438 ? 0.2065 0.2192 0.2108 -0.0288 0.0187 -0.0218 438 PHE B CE2 8501 C CZ . PHE B 438 ? 0.2085 0.2197 0.2117 -0.0287 0.0200 -0.0211 438 PHE B CZ 8502 N N . GLY B 439 ? 0.2041 0.2256 0.2110 -0.0258 0.0121 -0.0287 439 GLY B N 8503 C CA . GLY B 439 ? 0.2078 0.2329 0.2189 -0.0289 0.0124 -0.0295 439 GLY B CA 8504 C C . GLY B 439 ? 0.2146 0.2401 0.2265 -0.0305 0.0121 -0.0307 439 GLY B C 8505 O O . GLY B 439 ? 0.2081 0.2332 0.2212 -0.0333 0.0133 -0.0305 439 GLY B O 8506 N N . TYR B 440 ? 0.2261 0.2515 0.2363 -0.0286 0.0107 -0.0322 440 TYR B N 8507 C CA . TYR B 440 ? 0.2397 0.2652 0.2503 -0.0301 0.0101 -0.0338 440 TYR B CA 8508 C C . TYR B 440 ? 0.2434 0.2634 0.2507 -0.0301 0.0111 -0.0316 440 TYR B C 8509 O O . TYR B 440 ? 0.2521 0.2704 0.2592 -0.0324 0.0118 -0.0317 440 TYR B O 8510 C CB . TYR B 440 ? 0.2533 0.2817 0.2637 -0.0277 0.0077 -0.0368 440 TYR B CB 8511 C CG . TYR B 440 ? 0.2773 0.3066 0.2885 -0.0296 0.0069 -0.0392 440 TYR B CG 8512 C CD1 . TYR B 440 ? 0.2852 0.3149 0.2987 -0.0342 0.0084 -0.0399 440 TYR B CD1 8513 C CD2 . TYR B 440 ? 0.2840 0.3131 0.2930 -0.0268 0.0047 -0.0411 440 TYR B CD2 8514 C CE1 . TYR B 440 ? 0.2971 0.3268 0.3108 -0.0365 0.0080 -0.0424 440 TYR B CE1 8515 C CE2 . TYR B 440 ? 0.3086 0.3386 0.3184 -0.0288 0.0039 -0.0437 440 TYR B CE2 8516 C CZ . TYR B 440 ? 0.3106 0.3408 0.3228 -0.0339 0.0056 -0.0443 440 TYR B CZ 8517 O OH . TYR B 440 ? 0.3270 0.3570 0.3392 -0.0363 0.0050 -0.0470 440 TYR B OH 8518 N N . LEU B 441 ? 0.2383 0.2552 0.2425 -0.0275 0.0115 -0.0297 441 LEU B N 8519 C CA . LEU B 441 ? 0.2275 0.2402 0.2287 -0.0267 0.0123 -0.0281 441 LEU B CA 8520 C C . LEU B 441 ? 0.2268 0.2380 0.2284 -0.0282 0.0140 -0.0262 441 LEU B C 8521 O O . LEU B 441 ? 0.2294 0.2379 0.2290 -0.0280 0.0143 -0.0257 441 LEU B O 8522 C CB . LEU B 441 ? 0.2280 0.2379 0.2254 -0.0235 0.0124 -0.0272 441 LEU B CB 8523 C CG . LEU B 441 ? 0.2228 0.2314 0.2195 -0.0230 0.0142 -0.0253 441 LEU B CG 8524 C CD1 . LEU B 441 ? 0.2232 0.2306 0.2200 -0.0239 0.0161 -0.0235 441 LEU B CD1 8525 C CD2 . LEU B 441 ? 0.2264 0.2316 0.2183 -0.0199 0.0141 -0.0252 441 LEU B CD2 8526 N N . VAL B 442 ? 0.2200 0.2329 0.2238 -0.0291 0.0148 -0.0253 442 VAL B N 8527 C CA . VAL B 442 ? 0.2190 0.2311 0.2232 -0.0298 0.0161 -0.0238 442 VAL B CA 8528 C C . VAL B 442 ? 0.2292 0.2393 0.2322 -0.0311 0.0161 -0.0241 442 VAL B C 8529 O O . VAL B 442 ? 0.2346 0.2425 0.2356 -0.0301 0.0165 -0.0233 442 VAL B O 8530 C CB . VAL B 442 ? 0.2158 0.2301 0.2225 -0.0307 0.0167 -0.0232 442 VAL B CB 8531 C CG1 . VAL B 442 ? 0.2057 0.2199 0.2128 -0.0310 0.0175 -0.0222 442 VAL B CG1 8532 C CG2 . VAL B 442 ? 0.2080 0.2224 0.2142 -0.0295 0.0171 -0.0227 442 VAL B CG2 8533 N N . ASP B 443 ? 0.2267 0.2373 0.2306 -0.0332 0.0158 -0.0254 443 ASP B N 8534 C CA . ASP B 443 ? 0.2437 0.2505 0.2449 -0.0347 0.0163 -0.0257 443 ASP B CA 8535 C C . ASP B 443 ? 0.2512 0.2549 0.2493 -0.0344 0.0157 -0.0266 443 ASP B C 8536 O O . ASP B 443 ? 0.2761 0.2750 0.2703 -0.0346 0.0161 -0.0263 443 ASP B O 8537 C CB . ASP B 443 ? 0.2430 0.2503 0.2453 -0.0378 0.0170 -0.0267 443 ASP B CB 8538 C CG . ASP B 443 ? 0.2460 0.2530 0.2485 -0.0378 0.0179 -0.0253 443 ASP B CG 8539 O OD1 . ASP B 443 ? 0.2382 0.2451 0.2402 -0.0355 0.0177 -0.0238 443 ASP B OD1 8540 O OD2 . ASP B 443 ? 0.2344 0.2415 0.2374 -0.0400 0.0188 -0.0259 443 ASP B OD2 8541 N N . GLN B 444 ? 0.2551 0.2608 0.2541 -0.0334 0.0145 -0.0277 444 GLN B N 8542 C CA . GLN B 444 ? 0.2638 0.2663 0.2595 -0.0324 0.0138 -0.0283 444 GLN B CA 8543 C C . GLN B 444 ? 0.2616 0.2607 0.2540 -0.0298 0.0144 -0.0263 444 GLN B C 8544 O O . GLN B 444 ? 0.2570 0.2516 0.2454 -0.0294 0.0144 -0.0263 444 GLN B O 8545 C CB . GLN B 444 ? 0.2828 0.2878 0.2793 -0.0308 0.0122 -0.0298 444 GLN B CB 8546 C CG . GLN B 444 ? 0.3047 0.3137 0.3044 -0.0329 0.0111 -0.0327 444 GLN B CG 8547 C CD . GLN B 444 ? 0.3340 0.3445 0.3330 -0.0307 0.0090 -0.0348 444 GLN B CD 8548 O OE1 . GLN B 444 ? 0.3667 0.3736 0.3623 -0.0299 0.0084 -0.0352 444 GLN B OE1 8549 N NE2 . GLN B 444 ? 0.3290 0.3442 0.3305 -0.0293 0.0078 -0.0362 444 GLN B NE2 8550 N N . TRP B 445 ? 0.2548 0.2563 0.2489 -0.0281 0.0150 -0.0249 445 TRP B N 8551 C CA . TRP B 445 ? 0.2459 0.2461 0.2381 -0.0259 0.0158 -0.0234 445 TRP B CA 8552 C C . TRP B 445 ? 0.2477 0.2456 0.2382 -0.0261 0.0162 -0.0230 445 TRP B C 8553 O O . TRP B 445 ? 0.2432 0.2374 0.2296 -0.0245 0.0161 -0.0228 445 TRP B O 8554 C CB . TRP B 445 ? 0.2411 0.2448 0.2361 -0.0250 0.0168 -0.0225 445 TRP B CB 8555 C CG . TRP B 445 ? 0.2477 0.2517 0.2420 -0.0230 0.0179 -0.0216 445 TRP B CG 8556 C CD1 . TRP B 445 ? 0.2492 0.2520 0.2412 -0.0209 0.0184 -0.0214 445 TRP B CD1 8557 C CD2 . TRP B 445 ? 0.2501 0.2563 0.2460 -0.0227 0.0184 -0.0213 445 TRP B CD2 8558 N NE1 . TRP B 445 ? 0.2472 0.2521 0.2399 -0.0195 0.0195 -0.0211 445 TRP B NE1 8559 C CE2 . TRP B 445 ? 0.2542 0.2614 0.2493 -0.0204 0.0193 -0.0212 445 TRP B CE2 8560 C CE3 . TRP B 445 ? 0.2510 0.2585 0.2486 -0.0238 0.0181 -0.0213 445 TRP B CE3 8561 C CZ2 . TRP B 445 ? 0.2494 0.2600 0.2462 -0.0191 0.0196 -0.0214 445 TRP B CZ2 8562 C CZ3 . TRP B 445 ? 0.2528 0.2627 0.2513 -0.0223 0.0183 -0.0214 445 TRP B CZ3 8563 C CH2 . TRP B 445 ? 0.2505 0.2624 0.2489 -0.0199 0.0189 -0.0216 445 TRP B CH2 8564 N N . ARG B 446 ? 0.2491 0.2485 0.2417 -0.0278 0.0165 -0.0229 446 ARG B N 8565 C CA . ARG B 446 ? 0.2626 0.2592 0.2526 -0.0275 0.0168 -0.0225 446 ARG B CA 8566 C C . ARG B 446 ? 0.2668 0.2566 0.2512 -0.0285 0.0168 -0.0231 446 ARG B C 8567 O O . ARG B 446 ? 0.2750 0.2601 0.2543 -0.0266 0.0168 -0.0227 446 ARG B O 8568 C CB . ARG B 446 ? 0.2666 0.2658 0.2597 -0.0292 0.0171 -0.0223 446 ARG B CB 8569 C CG . ARG B 446 ? 0.2758 0.2733 0.2667 -0.0278 0.0172 -0.0218 446 ARG B CG 8570 C CD . ARG B 446 ? 0.2721 0.2745 0.2673 -0.0280 0.0172 -0.0216 446 ARG B CD 8571 N NE . ARG B 446 ? 0.2526 0.2576 0.2514 -0.0307 0.0175 -0.0218 446 ARG B NE 8572 C CZ . ARG B 446 ? 0.2337 0.2416 0.2354 -0.0313 0.0176 -0.0216 446 ARG B CZ 8573 N NH1 . ARG B 446 ? 0.2191 0.2282 0.2210 -0.0297 0.0173 -0.0214 446 ARG B NH1 8574 N NH2 . ARG B 446 ? 0.2236 0.2336 0.2280 -0.0332 0.0178 -0.0220 446 ARG B NH2 8575 N N . TRP B 447 ? 0.2761 0.2650 0.2608 -0.0314 0.0168 -0.0244 447 TRP B N 8576 C CA . TRP B 447 ? 0.2857 0.2676 0.2647 -0.0331 0.0172 -0.0253 447 TRP B CA 8577 C C . TRP B 447 ? 0.2940 0.2714 0.2680 -0.0303 0.0165 -0.0250 447 TRP B C 8578 O O . TRP B 447 ? 0.3174 0.2872 0.2845 -0.0299 0.0169 -0.0250 447 TRP B O 8579 C CB . TRP B 447 ? 0.2847 0.2680 0.2661 -0.0371 0.0172 -0.0274 447 TRP B CB 8580 C CG . TRP B 447 ? 0.2916 0.2790 0.2774 -0.0400 0.0181 -0.0281 447 TRP B CG 8581 C CD1 . TRP B 447 ? 0.2869 0.2733 0.2721 -0.0403 0.0192 -0.0269 447 TRP B CD1 8582 C CD2 . TRP B 447 ? 0.2965 0.2896 0.2876 -0.0427 0.0178 -0.0303 447 TRP B CD2 8583 N NE1 . TRP B 447 ? 0.2933 0.2843 0.2832 -0.0431 0.0199 -0.0280 447 TRP B NE1 8584 C CE2 . TRP B 447 ? 0.2975 0.2931 0.2912 -0.0446 0.0190 -0.0302 447 TRP B CE2 8585 C CE3 . TRP B 447 ? 0.3073 0.3041 0.3011 -0.0433 0.0165 -0.0326 447 TRP B CE3 8586 C CZ2 . TRP B 447 ? 0.2931 0.2951 0.2923 -0.0470 0.0191 -0.0323 447 TRP B CZ2 8587 C CZ3 . TRP B 447 ? 0.3033 0.3069 0.3026 -0.0455 0.0162 -0.0349 447 TRP B CZ3 8588 C CH2 . TRP B 447 ? 0.2999 0.3062 0.3021 -0.0474 0.0176 -0.0348 447 TRP B CH2 8589 N N . GLY B 448 ? 0.2873 0.2686 0.2639 -0.0282 0.0157 -0.0249 448 GLY B N 8590 C CA . GLY B 448 ? 0.2922 0.2700 0.2643 -0.0251 0.0152 -0.0246 448 GLY B CA 8591 C C . GLY B 448 ? 0.2970 0.2733 0.2661 -0.0215 0.0155 -0.0234 448 GLY B C 8592 O O . GLY B 448 ? 0.3040 0.2746 0.2669 -0.0191 0.0152 -0.0233 448 GLY B O 8593 N N . VAL B 449 ? 0.2866 0.2684 0.2601 -0.0208 0.0158 -0.0226 449 VAL B N 8594 C CA . VAL B 449 ? 0.2935 0.2756 0.2653 -0.0173 0.0158 -0.0221 449 VAL B CA 8595 C C . VAL B 449 ? 0.3140 0.2884 0.2788 -0.0170 0.0157 -0.0221 449 VAL B C 8596 O O . VAL B 449 ? 0.3334 0.3031 0.2920 -0.0134 0.0153 -0.0221 449 VAL B O 8597 C CB . VAL B 449 ? 0.2808 0.2707 0.2593 -0.0173 0.0161 -0.0218 449 VAL B CB 8598 C CG1 . VAL B 449 ? 0.2822 0.2734 0.2593 -0.0136 0.0157 -0.0219 449 VAL B CG1 8599 C CG2 . VAL B 449 ? 0.2731 0.2688 0.2566 -0.0173 0.0167 -0.0217 449 VAL B CG2 8600 N N . PHE B 450 ? 0.3183 0.2908 0.2833 -0.0204 0.0163 -0.0222 450 PHE B N 8601 C CA . PHE B 450 ? 0.3395 0.3029 0.2964 -0.0206 0.0168 -0.0222 450 PHE B CA 8602 C C . PHE B 450 ? 0.3461 0.2999 0.2947 -0.0208 0.0171 -0.0227 450 PHE B C 8603 O O . PHE B 450 ? 0.3502 0.2954 0.2897 -0.0184 0.0171 -0.0224 450 PHE B O 8604 C CB . PHE B 450 ? 0.3373 0.3002 0.2959 -0.0250 0.0180 -0.0224 450 PHE B CB 8605 C CG . PHE B 450 ? 0.3368 0.3053 0.2998 -0.0241 0.0178 -0.0219 450 PHE B CG 8606 C CD1 . PHE B 450 ? 0.3452 0.3131 0.3052 -0.0196 0.0169 -0.0215 450 PHE B CD1 8607 C CD2 . PHE B 450 ? 0.3308 0.3051 0.3007 -0.0275 0.0183 -0.0221 450 PHE B CD2 8608 C CE1 . PHE B 450 ? 0.3370 0.3102 0.3011 -0.0189 0.0165 -0.0214 450 PHE B CE1 8609 C CE2 . PHE B 450 ? 0.3353 0.3141 0.3087 -0.0268 0.0181 -0.0217 450 PHE B CE2 8610 C CZ . PHE B 450 ? 0.3340 0.3123 0.3047 -0.0227 0.0172 -0.0214 450 PHE B CZ 8611 N N . SER B 451 ? 0.3541 0.3090 0.3050 -0.0235 0.0170 -0.0235 451 SER B N 8612 C CA . SER B 451 ? 0.3737 0.3196 0.3170 -0.0243 0.0172 -0.0243 451 SER B CA 8613 C C . SER B 451 ? 0.3883 0.3313 0.3265 -0.0190 0.0162 -0.0238 451 SER B C 8614 O O . SER B 451 ? 0.3994 0.3328 0.3288 -0.0185 0.0162 -0.0241 451 SER B O 8615 C CB . SER B 451 ? 0.3787 0.3278 0.3267 -0.0284 0.0171 -0.0259 451 SER B CB 8616 O OG . SER B 451 ? 0.3617 0.3174 0.3146 -0.0259 0.0157 -0.0257 451 SER B OG 8617 N N . GLY B 452 ? 0.3837 0.3347 0.3271 -0.0153 0.0154 -0.0231 452 GLY B N 8618 C CA . GLY B 452 ? 0.3913 0.3415 0.3313 -0.0104 0.0146 -0.0229 452 GLY B CA 8619 C C . GLY B 452 ? 0.3817 0.3350 0.3247 -0.0107 0.0143 -0.0232 452 GLY B C 8620 O O . GLY B 452 ? 0.3874 0.3407 0.3281 -0.0068 0.0139 -0.0230 452 GLY B O 8621 N N . ARG B 453 ? 0.3793 0.3354 0.3273 -0.0150 0.0143 -0.0239 453 ARG B N 8622 C CA . ARG B 453 ? 0.3828 0.3421 0.3335 -0.0149 0.0138 -0.0243 453 ARG B CA 8623 C C . ARG B 453 ? 0.3598 0.3269 0.3158 -0.0120 0.0142 -0.0234 453 ARG B C 8624 O O . ARG B 453 ? 0.3516 0.3193 0.3067 -0.0096 0.0141 -0.0233 453 ARG B O 8625 C CB . ARG B 453 ? 0.4144 0.3761 0.3695 -0.0194 0.0135 -0.0257 453 ARG B CB 8626 C CG . ARG B 453 ? 0.4807 0.4455 0.4380 -0.0185 0.0126 -0.0263 453 ARG B CG 8627 C CD . ARG B 453 ? 0.5321 0.5042 0.4967 -0.0206 0.0123 -0.0268 453 ARG B CD 8628 N NE . ARG B 453 ? 0.5764 0.5488 0.5432 -0.0250 0.0123 -0.0283 453 ARG B NE 8629 C CZ . ARG B 453 ? 0.5978 0.5763 0.5706 -0.0270 0.0124 -0.0286 453 ARG B CZ 8630 N NH1 . ARG B 453 ? 0.6113 0.5950 0.5880 -0.0251 0.0125 -0.0276 453 ARG B NH1 8631 N NH2 . ARG B 453 ? 0.6232 0.6021 0.5978 -0.0311 0.0127 -0.0302 453 ARG B NH2 8632 N N . THR B 454 ? 0.3292 0.3020 0.2903 -0.0123 0.0148 -0.0228 454 THR B N 8633 C CA . THR B 454 ? 0.3066 0.2870 0.2731 -0.0105 0.0157 -0.0222 454 THR B CA 8634 C C . THR B 454 ? 0.3068 0.2893 0.2728 -0.0074 0.0159 -0.0221 454 THR B C 8635 O O . THR B 454 ? 0.3001 0.2849 0.2686 -0.0084 0.0158 -0.0221 454 THR B O 8636 C CB . THR B 454 ? 0.2938 0.2799 0.2671 -0.0137 0.0161 -0.0221 454 THR B CB 8637 O OG1 . THR B 454 ? 0.2865 0.2714 0.2600 -0.0156 0.0156 -0.0227 454 THR B OG1 8638 C CG2 . THR B 454 ? 0.2846 0.2775 0.2629 -0.0127 0.0175 -0.0216 454 THR B CG2 8639 N N . PRO B 455 ? 0.3119 0.2935 0.2744 -0.0033 0.0159 -0.0222 455 PRO B N 8640 C CA . PRO B 455 ? 0.3066 0.2918 0.2692 0.0004 0.0158 -0.0227 455 PRO B CA 8641 C C . PRO B 455 ? 0.2932 0.2888 0.2643 0.0000 0.0172 -0.0230 455 PRO B C 8642 O O . PRO B 455 ? 0.2922 0.2903 0.2672 -0.0026 0.0184 -0.0226 455 PRO B O 8643 C CB . PRO B 455 ? 0.3188 0.3001 0.2750 0.0049 0.0155 -0.0230 455 PRO B CB 8644 C CG . PRO B 455 ? 0.3240 0.3041 0.2805 0.0033 0.0162 -0.0226 455 PRO B CG 8645 C CD . PRO B 455 ? 0.3125 0.2897 0.2702 -0.0015 0.0158 -0.0223 455 PRO B CD 8646 N N . PRO B 456 ? 0.3011 0.3027 0.2747 0.0026 0.0171 -0.0240 456 PRO B N 8647 C CA . PRO B 456 ? 0.2917 0.3036 0.2737 0.0017 0.0187 -0.0249 456 PRO B CA 8648 C C . PRO B 456 ? 0.2920 0.3069 0.2761 0.0013 0.0210 -0.0248 456 PRO B C 8649 O O . PRO B 456 ? 0.2806 0.3003 0.2704 -0.0017 0.0229 -0.0248 456 PRO B O 8650 C CB . PRO B 456 ? 0.3018 0.3188 0.2841 0.0062 0.0177 -0.0267 456 PRO B CB 8651 C CG . PRO B 456 ? 0.3146 0.3233 0.2896 0.0079 0.0154 -0.0263 456 PRO B CG 8652 C CD . PRO B 456 ? 0.3087 0.3072 0.2770 0.0065 0.0153 -0.0248 456 PRO B CD 8653 N N . SER B 457 ? 0.3010 0.3120 0.2798 0.0045 0.0209 -0.0247 457 SER B N 8654 C CA . SER B 457 ? 0.3086 0.3213 0.2881 0.0046 0.0233 -0.0245 457 SER B CA 8655 C C . SER B 457 ? 0.3046 0.3132 0.2839 0.0009 0.0242 -0.0231 457 SER B C 8656 O O . SER B 457 ? 0.3072 0.3166 0.2868 0.0006 0.0264 -0.0229 457 SER B O 8657 C CB . SER B 457 ? 0.3338 0.3421 0.3066 0.0092 0.0227 -0.0247 457 SER B CB 8658 O OG . SER B 457 ? 0.3509 0.3490 0.3167 0.0088 0.0209 -0.0236 457 SER B OG 8659 N N . ARG B 458 ? 0.2988 0.3028 0.2770 -0.0016 0.0224 -0.0224 458 ARG B N 8660 C CA . ARG B 458 ? 0.2882 0.2892 0.2665 -0.0046 0.0227 -0.0216 458 ARG B CA 8661 C C . ARG B 458 ? 0.2737 0.2771 0.2566 -0.0082 0.0224 -0.0214 458 ARG B C 8662 O O . ARG B 458 ? 0.2840 0.2846 0.2663 -0.0103 0.0219 -0.0210 458 ARG B O 8663 C CB . ARG B 458 ? 0.2971 0.2902 0.2693 -0.0042 0.0207 -0.0214 458 ARG B CB 8664 C CG . ARG B 458 ? 0.3137 0.3033 0.2807 -0.0009 0.0211 -0.0213 458 ARG B CG 8665 C CD . ARG B 458 ? 0.3188 0.3010 0.2804 -0.0012 0.0191 -0.0215 458 ARG B CD 8666 N NE . ARG B 458 ? 0.3281 0.3054 0.2862 -0.0017 0.0171 -0.0220 458 ARG B NE 8667 C CZ . ARG B 458 ? 0.3452 0.3179 0.2976 0.0010 0.0164 -0.0222 458 ARG B CZ 8668 N NH1 . ARG B 458 ? 0.3491 0.3228 0.2993 0.0050 0.0174 -0.0221 458 ARG B NH1 8669 N NH2 . ARG B 458 ? 0.3628 0.3297 0.3111 0.0000 0.0150 -0.0226 458 ARG B NH2 8670 N N . TYR B 459 ? 0.2600 0.2689 0.2473 -0.0087 0.0227 -0.0220 459 TYR B N 8671 C CA . TYR B 459 ? 0.2523 0.2634 0.2438 -0.0120 0.0226 -0.0218 459 TYR B CA 8672 C C . TYR B 459 ? 0.2472 0.2584 0.2402 -0.0144 0.0243 -0.0213 459 TYR B C 8673 O O . TYR B 459 ? 0.2450 0.2537 0.2378 -0.0163 0.0234 -0.0208 459 TYR B O 8674 C CB . TYR B 459 ? 0.2524 0.2702 0.2487 -0.0120 0.0229 -0.0228 459 TYR B CB 8675 C CG . TYR B 459 ? 0.2534 0.2701 0.2479 -0.0102 0.0207 -0.0233 459 TYR B CG 8676 C CD1 . TYR B 459 ? 0.2615 0.2708 0.2498 -0.0090 0.0190 -0.0228 459 TYR B CD1 8677 C CD2 . TYR B 459 ? 0.2587 0.2814 0.2572 -0.0096 0.0203 -0.0245 459 TYR B CD2 8678 C CE1 . TYR B 459 ? 0.2648 0.2714 0.2498 -0.0072 0.0174 -0.0231 459 TYR B CE1 8679 C CE2 . TYR B 459 ? 0.2619 0.2827 0.2574 -0.0072 0.0183 -0.0250 459 TYR B CE2 8680 C CZ . TYR B 459 ? 0.2741 0.2862 0.2623 -0.0060 0.0170 -0.0241 459 TYR B CZ 8681 O OH . TYR B 459 ? 0.2956 0.3042 0.2794 -0.0036 0.0154 -0.0245 459 TYR B OH 8682 N N . ASN B 460 ? 0.2384 0.2522 0.2326 -0.0142 0.0269 -0.0214 460 ASN B N 8683 C CA . ASN B 460 ? 0.2320 0.2445 0.2261 -0.0163 0.0290 -0.0208 460 ASN B CA 8684 C C . ASN B 460 ? 0.2353 0.2411 0.2236 -0.0150 0.0286 -0.0201 460 ASN B C 8685 O O . ASN B 460 ? 0.2321 0.2348 0.2188 -0.0161 0.0285 -0.0196 460 ASN B O 8686 C CB . ASN B 460 ? 0.2297 0.2468 0.2268 -0.0174 0.0327 -0.0215 460 ASN B CB 8687 C CG . ASN B 460 ? 0.2255 0.2438 0.2254 -0.0209 0.0343 -0.0215 460 ASN B CG 8688 O OD1 . ASN B 460 ? 0.2244 0.2446 0.2273 -0.0223 0.0326 -0.0217 460 ASN B OD1 8689 N ND2 . ASN B 460 ? 0.2298 0.2460 0.2279 -0.0223 0.0378 -0.0212 460 ASN B ND2 8690 N N . PHE B 461 ? 0.2350 0.2385 0.2197 -0.0123 0.0283 -0.0201 461 PHE B N 8691 C CA . PHE B 461 ? 0.2420 0.2392 0.2208 -0.0106 0.0274 -0.0197 461 PHE B CA 8692 C C . PHE B 461 ? 0.2377 0.2323 0.2159 -0.0115 0.0242 -0.0200 461 PHE B C 8693 O O . PHE B 461 ? 0.2434 0.2348 0.2189 -0.0114 0.0237 -0.0200 461 PHE B O 8694 C CB . PHE B 461 ? 0.2522 0.2479 0.2276 -0.0075 0.0270 -0.0199 461 PHE B CB 8695 C CG . PHE B 461 ? 0.2640 0.2532 0.2331 -0.0054 0.0257 -0.0199 461 PHE B CG 8696 C CD1 . PHE B 461 ? 0.2744 0.2599 0.2394 -0.0043 0.0274 -0.0194 461 PHE B CD1 8697 C CD2 . PHE B 461 ? 0.2749 0.2608 0.2412 -0.0042 0.0228 -0.0204 461 PHE B CD2 8698 C CE1 . PHE B 461 ? 0.2827 0.2624 0.2416 -0.0018 0.0258 -0.0196 461 PHE B CE1 8699 C CE2 . PHE B 461 ? 0.2846 0.2650 0.2452 -0.0023 0.0214 -0.0208 461 PHE B CE2 8700 C CZ . PHE B 461 ? 0.2859 0.2635 0.2430 -0.0009 0.0227 -0.0204 461 PHE B CZ 8701 N N . ASP B 462 ? 0.2303 0.2262 0.2105 -0.0124 0.0223 -0.0205 462 ASP B N 8702 C CA . ASP B 462 ? 0.2277 0.2218 0.2077 -0.0138 0.0198 -0.0211 462 ASP B CA 8703 C C . ASP B 462 ? 0.2235 0.2203 0.2072 -0.0161 0.0199 -0.0211 462 ASP B C 8704 O O . ASP B 462 ? 0.2203 0.2160 0.2034 -0.0166 0.0184 -0.0218 462 ASP B O 8705 C CB . ASP B 462 ? 0.2374 0.2306 0.2171 -0.0143 0.0182 -0.0216 462 ASP B CB 8706 C CG . ASP B 462 ? 0.2550 0.2435 0.2295 -0.0122 0.0173 -0.0220 462 ASP B CG 8707 O OD1 . ASP B 462 ? 0.2625 0.2488 0.2339 -0.0102 0.0177 -0.0219 462 ASP B OD1 8708 O OD2 . ASP B 462 ? 0.2582 0.2440 0.2305 -0.0123 0.0164 -0.0223 462 ASP B OD2 8709 N N . TRP B 463 ? 0.2111 0.2116 0.1984 -0.0172 0.0216 -0.0205 463 TRP B N 8710 C CA . TRP B 463 ? 0.2097 0.2120 0.1997 -0.0192 0.0220 -0.0204 463 TRP B CA 8711 C C . TRP B 463 ? 0.2127 0.2117 0.1992 -0.0183 0.0228 -0.0202 463 TRP B C 8712 O O . TRP B 463 ? 0.2060 0.2040 0.1920 -0.0184 0.0213 -0.0207 463 TRP B O 8713 C CB . TRP B 463 ? 0.2029 0.2095 0.1970 -0.0205 0.0240 -0.0201 463 TRP B CB 8714 C CG . TRP B 463 ? 0.2042 0.2119 0.2004 -0.0226 0.0247 -0.0200 463 TRP B CG 8715 C CD1 . TRP B 463 ? 0.2067 0.2139 0.2024 -0.0235 0.0273 -0.0196 463 TRP B CD1 8716 C CD2 . TRP B 463 ? 0.2034 0.2124 0.2020 -0.0241 0.0232 -0.0202 463 TRP B CD2 8717 N NE1 . TRP B 463 ? 0.2062 0.2138 0.2034 -0.0253 0.0272 -0.0196 463 TRP B NE1 8718 C CE2 . TRP B 463 ? 0.2049 0.2140 0.2041 -0.0255 0.0246 -0.0200 463 TRP B CE2 8719 C CE3 . TRP B 463 ? 0.2098 0.2193 0.2094 -0.0246 0.0210 -0.0206 463 TRP B CE3 8720 C CZ2 . TRP B 463 ? 0.2061 0.2164 0.2074 -0.0269 0.0236 -0.0201 463 TRP B CZ2 8721 C CZ3 . TRP B 463 ? 0.2032 0.2142 0.2051 -0.0262 0.0203 -0.0208 463 TRP B CZ3 8722 C CH2 . TRP B 463 ? 0.2059 0.2174 0.2087 -0.0271 0.0214 -0.0205 463 TRP B CH2 8723 N N . TRP B 464 ? 0.2188 0.2157 0.2023 -0.0170 0.0251 -0.0196 464 TRP B N 8724 C CA . TRP B 464 ? 0.2277 0.2197 0.2061 -0.0157 0.0261 -0.0193 464 TRP B CA 8725 C C . TRP B 464 ? 0.2375 0.2257 0.2114 -0.0131 0.0235 -0.0200 464 TRP B C 8726 O O . TRP B 464 ? 0.2487 0.2336 0.2188 -0.0118 0.0229 -0.0203 464 TRP B O 8727 C CB . TRP B 464 ? 0.2258 0.2161 0.2018 -0.0157 0.0301 -0.0185 464 TRP B CB 8728 C CG . TRP B 464 ? 0.2266 0.2202 0.2067 -0.0188 0.0326 -0.0183 464 TRP B CG 8729 C CD1 . TRP B 464 ? 0.2202 0.2197 0.2057 -0.0206 0.0344 -0.0187 464 TRP B CD1 8730 C CD2 . TRP B 464 ? 0.2269 0.2183 0.2061 -0.0203 0.0332 -0.0181 464 TRP B CD2 8731 N NE1 . TRP B 464 ? 0.2220 0.2232 0.2102 -0.0236 0.0361 -0.0189 464 TRP B NE1 8732 C CE2 . TRP B 464 ? 0.2291 0.2248 0.2131 -0.0235 0.0355 -0.0183 464 TRP B CE2 8733 C CE3 . TRP B 464 ? 0.2352 0.2214 0.2094 -0.0188 0.0319 -0.0180 464 TRP B CE3 8734 C CZ2 . TRP B 464 ? 0.2344 0.2286 0.2182 -0.0257 0.0367 -0.0182 464 TRP B CZ2 8735 C CZ3 . TRP B 464 ? 0.2431 0.2275 0.2166 -0.0205 0.0330 -0.0178 464 TRP B CZ3 8736 C CH2 . TRP B 464 ? 0.2366 0.2246 0.2147 -0.0241 0.0355 -0.0178 464 TRP B CH2 8737 N N . TYR B 465 ? 0.2392 0.2276 0.2129 -0.0122 0.0217 -0.0206 465 TYR B N 8738 C CA . TYR B 465 ? 0.2469 0.2329 0.2176 -0.0104 0.0187 -0.0220 465 TYR B CA 8739 C C . TYR B 465 ? 0.2446 0.2332 0.2182 -0.0116 0.0164 -0.0233 465 TYR B C 8740 O O . TYR B 465 ? 0.2475 0.2345 0.2182 -0.0096 0.0147 -0.0245 465 TYR B O 8741 C CB . TYR B 465 ? 0.2462 0.2320 0.2168 -0.0102 0.0171 -0.0227 465 TYR B CB 8742 C CG . TYR B 465 ? 0.2538 0.2384 0.2226 -0.0094 0.0138 -0.0248 465 TYR B CG 8743 C CD1 . TYR B 465 ? 0.2527 0.2406 0.2255 -0.0118 0.0118 -0.0264 465 TYR B CD1 8744 C CD2 . TYR B 465 ? 0.2636 0.2439 0.2266 -0.0061 0.0129 -0.0254 465 TYR B CD2 8745 C CE1 . TYR B 465 ? 0.2575 0.2456 0.2297 -0.0115 0.0089 -0.0289 465 TYR B CE1 8746 C CE2 . TYR B 465 ? 0.2662 0.2462 0.2281 -0.0054 0.0096 -0.0279 465 TYR B CE2 8747 C CZ . TYR B 465 ? 0.2649 0.2493 0.2318 -0.0083 0.0076 -0.0299 465 TYR B CZ 8748 O OH . TYR B 465 ? 0.2680 0.2535 0.2347 -0.0079 0.0044 -0.0330 465 TYR B OH 8749 N N . LEU B 466 ? 0.2436 0.2364 0.2227 -0.0145 0.0163 -0.0232 466 LEU B N 8750 C CA . LEU B 466 ? 0.2434 0.2393 0.2256 -0.0159 0.0145 -0.0246 466 LEU B CA 8751 C C . LEU B 466 ? 0.2419 0.2374 0.2232 -0.0151 0.0151 -0.0242 466 LEU B C 8752 O O . LEU B 466 ? 0.2466 0.2428 0.2272 -0.0139 0.0131 -0.0257 466 LEU B O 8753 C CB . LEU B 466 ? 0.2383 0.2377 0.2255 -0.0190 0.0145 -0.0246 466 LEU B CB 8754 C CG . LEU B 466 ? 0.2363 0.2347 0.2230 -0.0198 0.0134 -0.0255 466 LEU B CG 8755 C CD1 . LEU B 466 ? 0.2290 0.2284 0.2181 -0.0220 0.0144 -0.0247 466 LEU B CD1 8756 C CD2 . LEU B 466 ? 0.2406 0.2402 0.2280 -0.0207 0.0111 -0.0280 466 LEU B CD2 8757 N N . ARG B 467 ? 0.2396 0.2340 0.2205 -0.0158 0.0179 -0.0225 467 ARG B N 8758 C CA . ARG B 467 ? 0.2462 0.2385 0.2249 -0.0153 0.0190 -0.0220 467 ARG B CA 8759 C C . ARG B 467 ? 0.2514 0.2382 0.2229 -0.0116 0.0183 -0.0225 467 ARG B C 8760 O O . ARG B 467 ? 0.2548 0.2405 0.2240 -0.0099 0.0170 -0.0233 467 ARG B O 8761 C CB . ARG B 467 ? 0.2434 0.2351 0.2227 -0.0172 0.0226 -0.0203 467 ARG B CB 8762 C CG . ARG B 467 ? 0.2396 0.2368 0.2256 -0.0202 0.0228 -0.0202 467 ARG B CG 8763 C CD . ARG B 467 ? 0.2350 0.2337 0.2233 -0.0219 0.0229 -0.0202 467 ARG B CD 8764 N NE . ARG B 467 ? 0.2451 0.2421 0.2324 -0.0234 0.0261 -0.0193 467 ARG B NE 8765 C CZ . ARG B 467 ? 0.2487 0.2445 0.2356 -0.0245 0.0268 -0.0191 467 ARG B CZ 8766 N NH1 . ARG B 467 ? 0.2363 0.2328 0.2235 -0.0238 0.0245 -0.0197 467 ARG B NH1 8767 N NH2 . ARG B 467 ? 0.2518 0.2458 0.2378 -0.0265 0.0301 -0.0186 467 ARG B NH2 8768 N N . THR B 468 ? 0.2557 0.2389 0.2229 -0.0097 0.0189 -0.0222 468 THR B N 8769 C CA . THR B 468 ? 0.2605 0.2377 0.2198 -0.0055 0.0181 -0.0227 468 THR B CA 8770 C C . THR B 468 ? 0.2623 0.2423 0.2224 -0.0034 0.0136 -0.0254 468 THR B C 8771 O O . THR B 468 ? 0.2602 0.2380 0.2159 -0.0001 0.0118 -0.0266 468 THR B O 8772 C CB . THR B 468 ? 0.2694 0.2417 0.2235 -0.0041 0.0203 -0.0216 468 THR B CB 8773 O OG1 . THR B 468 ? 0.2667 0.2378 0.2211 -0.0065 0.0247 -0.0197 468 THR B OG1 8774 C CG2 . THR B 468 ? 0.2786 0.2434 0.2231 0.0005 0.0195 -0.0221 468 THR B CG2 8775 N N . LYS B 469 ? 0.2571 0.2417 0.2223 -0.0052 0.0120 -0.0265 469 LYS B N 8776 C CA . LYS B 469 ? 0.2539 0.2421 0.2208 -0.0043 0.0081 -0.0295 469 LYS B CA 8777 C C . LYS B 469 ? 0.2560 0.2485 0.2259 -0.0043 0.0064 -0.0312 469 LYS B C 8778 O O . LYS B 469 ? 0.2653 0.2584 0.2328 -0.0009 0.0036 -0.0336 469 LYS B O 8779 C CB . LYS B 469 ? 0.2521 0.2440 0.2242 -0.0075 0.0074 -0.0303 469 LYS B CB 8780 C CG . LYS B 469 ? 0.2504 0.2463 0.2246 -0.0075 0.0039 -0.0339 469 LYS B CG 8781 C CD . LYS B 469 ? 0.2568 0.2547 0.2350 -0.0113 0.0037 -0.0348 469 LYS B CD 8782 C CE . LYS B 469 ? 0.2613 0.2648 0.2434 -0.0127 0.0008 -0.0388 469 LYS B CE 8783 N NZ . LYS B 469 ? 0.2616 0.2650 0.2455 -0.0165 0.0009 -0.0399 469 LYS B NZ 8784 N N . TYR B 470 ? 0.2526 0.2483 0.2275 -0.0076 0.0080 -0.0300 470 TYR B N 8785 C CA . TYR B 470 ? 0.2513 0.2519 0.2300 -0.0082 0.0065 -0.0316 470 TYR B CA 8786 C C . TYR B 470 ? 0.2494 0.2467 0.2239 -0.0058 0.0073 -0.0307 470 TYR B C 8787 O O . TYR B 470 ? 0.2590 0.2575 0.2316 -0.0026 0.0049 -0.0328 470 TYR B O 8788 C CB . TYR B 470 ? 0.2411 0.2469 0.2271 -0.0130 0.0074 -0.0313 470 TYR B CB 8789 C CG . TYR B 470 ? 0.2505 0.2599 0.2401 -0.0150 0.0059 -0.0335 470 TYR B CG 8790 C CD1 . TYR B 470 ? 0.2574 0.2718 0.2494 -0.0145 0.0031 -0.0372 470 TYR B CD1 8791 C CD2 . TYR B 470 ? 0.2566 0.2642 0.2468 -0.0174 0.0072 -0.0322 470 TYR B CD2 8792 C CE1 . TYR B 470 ? 0.2617 0.2790 0.2568 -0.0171 0.0020 -0.0395 470 TYR B CE1 8793 C CE2 . TYR B 470 ? 0.2611 0.2702 0.2532 -0.0195 0.0060 -0.0343 470 TYR B CE2 8794 C CZ . TYR B 470 ? 0.2660 0.2799 0.2607 -0.0197 0.0037 -0.0379 470 TYR B CZ 8795 O OH . TYR B 470 ? 0.2716 0.2868 0.2681 -0.0226 0.0029 -0.0402 470 TYR B OH 8796 N N . GLN B 471 ? 0.2401 0.2330 0.2125 -0.0072 0.0106 -0.0278 471 GLN B N 8797 C CA . GLN B 471 ? 0.2390 0.2275 0.2067 -0.0056 0.0119 -0.0268 471 GLN B CA 8798 C C . GLN B 471 ? 0.2455 0.2250 0.2029 -0.0014 0.0127 -0.0262 471 GLN B C 8799 O O . GLN B 471 ? 0.2541 0.2285 0.2052 0.0011 0.0129 -0.0260 471 GLN B O 8800 C CB . GLN B 471 ? 0.2303 0.2186 0.2010 -0.0097 0.0152 -0.0245 471 GLN B CB 8801 C CG . GLN B 471 ? 0.2153 0.2107 0.1941 -0.0131 0.0146 -0.0249 471 GLN B CG 8802 C CD . GLN B 471 ? 0.2137 0.2085 0.1945 -0.0164 0.0176 -0.0229 471 GLN B CD 8803 O OE1 . GLN B 471 ? 0.2102 0.2064 0.1939 -0.0186 0.0191 -0.0220 471 GLN B OE1 8804 N NE2 . GLN B 471 ? 0.2070 0.1996 0.1859 -0.0164 0.0184 -0.0224 471 GLN B NE2 8805 N N . GLY B 472 ? 0.2514 0.2277 0.2057 -0.0005 0.0134 -0.0257 472 GLY B N 8806 C CA . GLY B 472 ? 0.2592 0.2256 0.2025 0.0034 0.0146 -0.0249 472 GLY B CA 8807 C C . GLY B 472 ? 0.2685 0.2282 0.2074 0.0014 0.0194 -0.0223 472 GLY B C 8808 O O . GLY B 472 ? 0.2803 0.2313 0.2098 0.0042 0.0206 -0.0218 472 GLY B O 8809 N N . ILE B 473 ? 0.2554 0.2192 0.2012 -0.0034 0.0221 -0.0209 473 ILE B N 8810 C CA . ILE B 473 ? 0.2728 0.2320 0.2162 -0.0064 0.0269 -0.0190 473 ILE B CA 8811 C C . ILE B 473 ? 0.2768 0.2364 0.2216 -0.0082 0.0298 -0.0180 473 ILE B C 8812 O O . ILE B 473 ? 0.2770 0.2411 0.2257 -0.0077 0.0278 -0.0187 473 ILE B O 8813 C CB . ILE B 473 ? 0.2552 0.2195 0.2056 -0.0105 0.0275 -0.0188 473 ILE B CB 8814 C CG1 . ILE B 473 ? 0.2403 0.2148 0.2016 -0.0133 0.0258 -0.0193 473 ILE B CG1 8815 C CG2 . ILE B 473 ? 0.2619 0.2245 0.2093 -0.0081 0.0252 -0.0196 473 ILE B CG2 8816 C CD1 . ILE B 473 ? 0.2356 0.2150 0.2034 -0.0168 0.0262 -0.0192 473 ILE B CD1 8817 N N . CYS B 474 ? 0.2935 0.2483 0.2349 -0.0105 0.0346 -0.0167 474 CYS B N 8818 C CA . CYS B 474 ? 0.3003 0.2565 0.2435 -0.0123 0.0378 -0.0161 474 CYS B CA 8819 C C . CYS B 474 ? 0.3015 0.2600 0.2489 -0.0174 0.0420 -0.0157 474 CYS B C 8820 O O . CYS B 474 ? 0.2987 0.2529 0.2430 -0.0188 0.0435 -0.0154 474 CYS B O 8821 C CB . CYS B 474 ? 0.3162 0.2627 0.2486 -0.0090 0.0399 -0.0155 474 CYS B CB 8822 S SG . CYS B 474 ? 0.3395 0.2725 0.2591 -0.0084 0.0438 -0.0145 474 CYS B SG 8823 N N . PRO B 475 ? 0.3009 0.2663 0.2552 -0.0199 0.0438 -0.0159 475 PRO B N 8824 C CA . PRO B 475 ? 0.3004 0.2690 0.2592 -0.0248 0.0478 -0.0161 475 PRO B CA 8825 C C . PRO B 475 ? 0.3157 0.2751 0.2660 -0.0261 0.0534 -0.0155 475 PRO B C 8826 O O . PRO B 475 ? 0.3218 0.2752 0.2650 -0.0236 0.0550 -0.0149 475 PRO B O 8827 C CB . PRO B 475 ? 0.2912 0.2694 0.2584 -0.0258 0.0478 -0.0169 475 PRO B CB 8828 C CG . PRO B 475 ? 0.3021 0.2782 0.2656 -0.0216 0.0458 -0.0165 475 PRO B CG 8829 C CD . PRO B 475 ? 0.3004 0.2708 0.2584 -0.0183 0.0420 -0.0162 475 PRO B CD 8830 N N . PRO B 476 ? 0.3233 0.2807 0.2733 -0.0301 0.0564 -0.0157 476 PRO B N 8831 C CA . PRO B 476 ? 0.3439 0.2906 0.2842 -0.0319 0.0622 -0.0151 476 PRO B CA 8832 C C . PRO B 476 ? 0.3569 0.3077 0.3009 -0.0359 0.0677 -0.0159 476 PRO B C 8833 O O . PRO B 476 ? 0.3823 0.3241 0.3181 -0.0378 0.0734 -0.0155 476 PRO B O 8834 C CB . PRO B 476 ? 0.3403 0.2837 0.2795 -0.0348 0.0629 -0.0152 476 PRO B CB 8835 C CG . PRO B 476 ? 0.3255 0.2818 0.2775 -0.0366 0.0593 -0.0164 476 PRO B CG 8836 C CD . PRO B 476 ? 0.3175 0.2804 0.2741 -0.0325 0.0543 -0.0163 476 PRO B CD 8837 N N . VAL B 477 ? 0.3410 0.3049 0.2968 -0.0371 0.0662 -0.0172 477 VAL B N 8838 C CA . VAL B 477 ? 0.3447 0.3147 0.3050 -0.0393 0.0703 -0.0184 477 VAL B CA 8839 C C . VAL B 477 ? 0.3352 0.3120 0.2998 -0.0350 0.0664 -0.0184 477 VAL B C 8840 O O . VAL B 477 ? 0.3155 0.2946 0.2822 -0.0319 0.0607 -0.0180 477 VAL B O 8841 C CB . VAL B 477 ? 0.3435 0.3239 0.3141 -0.0451 0.0729 -0.0208 477 VAL B CB 8842 C CG1 . VAL B 477 ? 0.3557 0.3282 0.3210 -0.0502 0.0781 -0.0210 477 VAL B CG1 8843 C CG2 . VAL B 477 ? 0.3267 0.3169 0.3069 -0.0446 0.0673 -0.0216 477 VAL B CG2 8844 N N . THR B 478 ? 0.3321 0.3115 0.2973 -0.0351 0.0698 -0.0190 478 THR B N 8845 C CA . THR B 478 ? 0.3317 0.3174 0.3005 -0.0312 0.0667 -0.0193 478 THR B CA 8846 C C . THR B 478 ? 0.3175 0.3154 0.2975 -0.0315 0.0627 -0.0208 478 THR B C 8847 O O . THR B 478 ? 0.3163 0.3217 0.3036 -0.0355 0.0644 -0.0225 478 THR B O 8848 C CB . THR B 478 ? 0.3415 0.3285 0.3093 -0.0316 0.0719 -0.0200 478 THR B CB 8849 O OG1 . THR B 478 ? 0.3606 0.3346 0.3166 -0.0315 0.0760 -0.0185 478 THR B OG1 8850 C CG2 . THR B 478 ? 0.3434 0.3346 0.3126 -0.0268 0.0688 -0.0200 478 THR B CG2 8851 N N . ARG B 479 ? 0.3147 0.3141 0.2956 -0.0275 0.0574 -0.0202 479 ARG B N 8852 C CA . ARG B 479 ? 0.2997 0.3088 0.2890 -0.0270 0.0537 -0.0214 479 ARG B CA 8853 C C . ARG B 479 ? 0.3045 0.3170 0.2944 -0.0231 0.0522 -0.0218 479 ARG B C 8854 O O . ARG B 479 ? 0.3078 0.3138 0.2910 -0.0202 0.0523 -0.0206 479 ARG B O 8855 C CB . ARG B 479 ? 0.2884 0.2956 0.2778 -0.0260 0.0487 -0.0206 479 ARG B CB 8856 C CG . ARG B 479 ? 0.2920 0.2931 0.2781 -0.0283 0.0493 -0.0198 479 ARG B CG 8857 C CD . ARG B 479 ? 0.2867 0.2917 0.2773 -0.0331 0.0529 -0.0210 479 ARG B CD 8858 N NE . ARG B 479 ? 0.2817 0.2955 0.2807 -0.0343 0.0502 -0.0224 479 ARG B NE 8859 C CZ . ARG B 479 ? 0.2784 0.2995 0.2839 -0.0378 0.0525 -0.0244 479 ARG B CZ 8860 N NH1 . ARG B 479 ? 0.2798 0.3008 0.2849 -0.0411 0.0578 -0.0254 479 ARG B NH1 8861 N NH2 . ARG B 479 ? 0.2682 0.2965 0.2804 -0.0382 0.0495 -0.0256 479 ARG B NH2 8862 N N . ASN B 480 ? 0.2942 0.3163 0.2913 -0.0227 0.0509 -0.0235 480 ASN B N 8863 C CA . ASN B 480 ? 0.3068 0.3316 0.3038 -0.0185 0.0488 -0.0239 480 ASN B CA 8864 C C . ASN B 480 ? 0.2949 0.3252 0.2967 -0.0171 0.0444 -0.0248 480 ASN B C 8865 O O . ASN B 480 ? 0.2875 0.3187 0.2921 -0.0194 0.0429 -0.0248 480 ASN B O 8866 C CB . ASN B 480 ? 0.3270 0.3576 0.3262 -0.0183 0.0531 -0.0256 480 ASN B CB 8867 C CG . ASN B 480 ? 0.3502 0.3922 0.3585 -0.0214 0.0551 -0.0284 480 ASN B CG 8868 O OD1 . ASN B 480 ? 0.3320 0.3797 0.3456 -0.0212 0.0519 -0.0295 480 ASN B OD1 8869 N ND2 . ASN B 480 ? 0.4107 0.4559 0.4207 -0.0243 0.0607 -0.0298 480 ASN B ND2 8870 N N . GLU B 481 ? 0.2925 0.3255 0.2942 -0.0132 0.0424 -0.0255 481 GLU B N 8871 C CA . GLU B 481 ? 0.2998 0.3352 0.3035 -0.0114 0.0381 -0.0260 481 GLU B CA 8872 C C . GLU B 481 ? 0.3045 0.3499 0.3157 -0.0122 0.0380 -0.0283 481 GLU B C 8873 O O . GLU B 481 ? 0.3080 0.3545 0.3200 -0.0105 0.0345 -0.0288 481 GLU B O 8874 C CB . GLU B 481 ? 0.3024 0.3346 0.3011 -0.0066 0.0356 -0.0257 481 GLU B CB 8875 C CG . GLU B 481 ? 0.3059 0.3278 0.2974 -0.0058 0.0338 -0.0236 481 GLU B CG 8876 C CD . GLU B 481 ? 0.3071 0.3251 0.2984 -0.0080 0.0311 -0.0227 481 GLU B CD 8877 O OE1 . GLU B 481 ? 0.3133 0.3352 0.3089 -0.0095 0.0300 -0.0233 481 GLU B OE1 8878 O OE2 . GLU B 481 ? 0.3052 0.3164 0.2919 -0.0081 0.0301 -0.0215 481 GLU B OE2 8879 N N . THR B 482 ? 0.3046 0.3568 0.3210 -0.0150 0.0418 -0.0301 482 THR B N 8880 C CA . THR B 482 ? 0.3052 0.3673 0.3295 -0.0167 0.0417 -0.0328 482 THR B CA 8881 C C . THR B 482 ? 0.2898 0.3487 0.3149 -0.0204 0.0406 -0.0317 482 THR B C 8882 O O . THR B 482 ? 0.2927 0.3561 0.3216 -0.0202 0.0380 -0.0330 482 THR B O 8883 C CB . THR B 482 ? 0.3088 0.3798 0.3390 -0.0194 0.0465 -0.0355 482 THR B CB 8884 O OG1 . THR B 482 ? 0.3287 0.4032 0.3581 -0.0155 0.0474 -0.0366 482 THR B OG1 8885 C CG2 . THR B 482 ? 0.3232 0.4055 0.3620 -0.0211 0.0460 -0.0389 482 THR B CG2 8886 N N . HIS B 483 ? 0.2765 0.3271 0.2973 -0.0231 0.0423 -0.0295 483 HIS B N 8887 C CA . HIS B 483 ? 0.2622 0.3085 0.2825 -0.0258 0.0411 -0.0283 483 HIS B CA 8888 C C . HIS B 483 ? 0.2554 0.2974 0.2727 -0.0232 0.0365 -0.0269 483 HIS B C 8889 O O . HIS B 483 ? 0.2621 0.3003 0.2752 -0.0199 0.0348 -0.0260 483 HIS B O 8890 C CB . HIS B 483 ? 0.2615 0.2997 0.2768 -0.0285 0.0441 -0.0266 483 HIS B CB 8891 C CG . HIS B 483 ? 0.2689 0.3096 0.2857 -0.0315 0.0494 -0.0278 483 HIS B CG 8892 N ND1 . HIS B 483 ? 0.2671 0.3034 0.2789 -0.0307 0.0525 -0.0271 483 HIS B ND1 8893 C CD2 . HIS B 483 ? 0.2686 0.3160 0.2912 -0.0355 0.0523 -0.0302 483 HIS B CD2 8894 C CE1 . HIS B 483 ? 0.2780 0.3177 0.2923 -0.0344 0.0576 -0.0287 483 HIS B CE1 8895 N NE2 . HIS B 483 ? 0.2725 0.3193 0.2937 -0.0376 0.0576 -0.0308 483 HIS B NE2 8896 N N . PHE B 484 ? 0.2391 0.2814 0.2584 -0.0248 0.0347 -0.0269 484 PHE B N 8897 C CA . PHE B 484 ? 0.2297 0.2680 0.2464 -0.0230 0.0309 -0.0257 484 PHE B CA 8898 C C . PHE B 484 ? 0.2210 0.2555 0.2373 -0.0260 0.0308 -0.0246 484 PHE B C 8899 O O . PHE B 484 ? 0.2191 0.2563 0.2384 -0.0272 0.0296 -0.0252 484 PHE B O 8900 C CB . PHE B 484 ? 0.2340 0.2778 0.2536 -0.0208 0.0285 -0.0273 484 PHE B CB 8901 C CG . PHE B 484 ? 0.2376 0.2767 0.2541 -0.0196 0.0253 -0.0262 484 PHE B CG 8902 C CD1 . PHE B 484 ? 0.2404 0.2719 0.2515 -0.0189 0.0242 -0.0245 484 PHE B CD1 8903 C CD2 . PHE B 484 ? 0.2327 0.2750 0.2516 -0.0192 0.0234 -0.0273 484 PHE B CD2 8904 C CE1 . PHE B 484 ? 0.2482 0.2756 0.2566 -0.0185 0.0219 -0.0238 484 PHE B CE1 8905 C CE2 . PHE B 484 ? 0.2433 0.2805 0.2585 -0.0183 0.0210 -0.0263 484 PHE B CE2 8906 C CZ . PHE B 484 ? 0.2447 0.2744 0.2548 -0.0183 0.0205 -0.0246 484 PHE B CZ 8907 N N . ASP B 485 ? 0.2179 0.2462 0.2298 -0.0266 0.0319 -0.0232 485 ASP B N 8908 C CA . ASP B 485 ? 0.2180 0.2424 0.2286 -0.0290 0.0324 -0.0223 485 ASP B CA 8909 C C . ASP B 485 ? 0.2173 0.2402 0.2278 -0.0288 0.0292 -0.0218 485 ASP B C 8910 O O . ASP B 485 ? 0.2150 0.2374 0.2264 -0.0306 0.0292 -0.0217 485 ASP B O 8911 C CB . ASP B 485 ? 0.2171 0.2348 0.2220 -0.0288 0.0343 -0.0212 485 ASP B CB 8912 C CG . ASP B 485 ? 0.2260 0.2445 0.2307 -0.0302 0.0385 -0.0217 485 ASP B CG 8913 O OD1 . ASP B 485 ? 0.2249 0.2488 0.2344 -0.0329 0.0404 -0.0231 485 ASP B OD1 8914 O OD2 . ASP B 485 ? 0.2261 0.2398 0.2258 -0.0289 0.0401 -0.0210 485 ASP B OD2 8915 N N . ALA B 486 ? 0.2204 0.2426 0.2297 -0.0266 0.0268 -0.0216 486 ALA B N 8916 C CA . ALA B 486 ? 0.2154 0.2363 0.2247 -0.0268 0.0243 -0.0213 486 ALA B CA 8917 C C . ALA B 486 ? 0.2148 0.2400 0.2280 -0.0277 0.0238 -0.0221 486 ALA B C 8918 O O . ALA B 486 ? 0.2127 0.2371 0.2263 -0.0288 0.0227 -0.0219 486 ALA B O 8919 C CB . ALA B 486 ? 0.2181 0.2365 0.2245 -0.0248 0.0225 -0.0212 486 ALA B CB 8920 N N . GLY B 487 ? 0.2101 0.2402 0.2260 -0.0270 0.0245 -0.0233 487 GLY B N 8921 C CA . GLY B 487 ? 0.2044 0.2392 0.2240 -0.0273 0.0236 -0.0246 487 GLY B CA 8922 C C . GLY B 487 ? 0.1987 0.2354 0.2213 -0.0304 0.0249 -0.0251 487 GLY B C 8923 O O . GLY B 487 ? 0.1984 0.2380 0.2234 -0.0308 0.0237 -0.0260 487 GLY B O 8924 N N . ALA B 488 ? 0.1952 0.2294 0.2166 -0.0323 0.0272 -0.0244 488 ALA B N 8925 C CA . ALA B 488 ? 0.1912 0.2248 0.2136 -0.0354 0.0288 -0.0246 488 ALA B CA 8926 C C . ALA B 488 ? 0.1893 0.2182 0.2091 -0.0357 0.0273 -0.0234 488 ALA B C 8927 O O . ALA B 488 ? 0.1894 0.2162 0.2084 -0.0378 0.0284 -0.0233 488 ALA B O 8928 C CB . ALA B 488 ? 0.1934 0.2245 0.2138 -0.0371 0.0322 -0.0245 488 ALA B CB 8929 N N . LYS B 489 ? 0.1913 0.2185 0.2095 -0.0338 0.0250 -0.0226 489 LYS B N 8930 C CA . LYS B 489 ? 0.1945 0.2188 0.2111 -0.0340 0.0236 -0.0219 489 LYS B CA 8931 C C . LYS B 489 ? 0.1951 0.2217 0.2135 -0.0335 0.0217 -0.0223 489 LYS B C 8932 O O . LYS B 489 ? 0.2004 0.2273 0.2182 -0.0319 0.0207 -0.0224 489 LYS B O 8933 C CB . LYS B 489 ? 0.1995 0.2201 0.2127 -0.0326 0.0228 -0.0211 489 LYS B CB 8934 C CG . LYS B 489 ? 0.2008 0.2200 0.2132 -0.0326 0.0213 -0.0209 489 LYS B CG 8935 C CD . LYS B 489 ? 0.2084 0.2260 0.2199 -0.0335 0.0219 -0.0208 489 LYS B CD 8936 C CE . LYS B 489 ? 0.2202 0.2380 0.2319 -0.0335 0.0204 -0.0209 489 LYS B CE 8937 N NZ . LYS B 489 ? 0.2184 0.2346 0.2289 -0.0339 0.0208 -0.0209 489 LYS B NZ 8938 N N . PHE B 490 ? 0.1920 0.2192 0.2116 -0.0348 0.0214 -0.0226 490 PHE B N 8939 C CA . PHE B 490 ? 0.1916 0.2204 0.2123 -0.0342 0.0198 -0.0231 490 PHE B CA 8940 C C . PHE B 490 ? 0.1940 0.2211 0.2124 -0.0324 0.0185 -0.0227 490 PHE B C 8941 O O . PHE B 490 ? 0.1976 0.2261 0.2160 -0.0308 0.0176 -0.0234 490 PHE B O 8942 C CB . PHE B 490 ? 0.1905 0.2179 0.2108 -0.0354 0.0195 -0.0228 490 PHE B CB 8943 C CG . PHE B 490 ? 0.1965 0.2246 0.2170 -0.0347 0.0180 -0.0232 490 PHE B CG 8944 C CD1 . PHE B 490 ? 0.1935 0.2248 0.2162 -0.0348 0.0174 -0.0245 490 PHE B CD1 8945 C CD2 . PHE B 490 ? 0.1926 0.2180 0.2106 -0.0340 0.0173 -0.0225 490 PHE B CD2 8946 C CE1 . PHE B 490 ? 0.2004 0.2316 0.2223 -0.0335 0.0159 -0.0250 490 PHE B CE1 8947 C CE2 . PHE B 490 ? 0.2020 0.2267 0.2188 -0.0332 0.0163 -0.0227 490 PHE B CE2 8948 C CZ . PHE B 490 ? 0.1961 0.2234 0.2145 -0.0326 0.0155 -0.0239 490 PHE B CZ 8949 N N . HIS B 491 ? 0.1877 0.2116 0.2040 -0.0326 0.0184 -0.0219 491 HIS B N 8950 C CA . HIS B 491 ? 0.1863 0.2074 0.1998 -0.0319 0.0177 -0.0216 491 HIS B CA 8951 C C . HIS B 491 ? 0.1878 0.2078 0.1993 -0.0301 0.0174 -0.0218 491 HIS B C 8952 O O . HIS B 491 ? 0.1893 0.2061 0.1975 -0.0292 0.0169 -0.0217 491 HIS B O 8953 C CB . HIS B 491 ? 0.1854 0.2046 0.1980 -0.0331 0.0179 -0.0214 491 HIS B CB 8954 C CG . HIS B 491 ? 0.1855 0.2058 0.1996 -0.0342 0.0180 -0.0214 491 HIS B CG 8955 N ND1 . HIS B 491 ? 0.1875 0.2072 0.2012 -0.0350 0.0179 -0.0216 491 HIS B ND1 8956 C CD2 . HIS B 491 ? 0.1817 0.2028 0.1967 -0.0344 0.0184 -0.0214 491 HIS B CD2 8957 C CE1 . HIS B 491 ? 0.1842 0.2051 0.1990 -0.0353 0.0179 -0.0217 491 HIS B CE1 8958 N NE2 . HIS B 491 ? 0.1960 0.2172 0.2112 -0.0350 0.0182 -0.0215 491 HIS B NE2 8959 N N . VAL B 492 ? 0.1861 0.2082 0.1988 -0.0294 0.0180 -0.0220 492 VAL B N 8960 C CA . VAL B 492 ? 0.1926 0.2139 0.2032 -0.0272 0.0177 -0.0222 492 VAL B CA 8961 C C . VAL B 492 ? 0.1979 0.2214 0.2085 -0.0249 0.0167 -0.0232 492 VAL B C 8962 O O . VAL B 492 ? 0.1971 0.2168 0.2034 -0.0230 0.0157 -0.0232 492 VAL B O 8963 C CB . VAL B 492 ? 0.1915 0.2138 0.2029 -0.0270 0.0188 -0.0221 492 VAL B CB 8964 C CG1 . VAL B 492 ? 0.1911 0.2136 0.2006 -0.0243 0.0185 -0.0226 492 VAL B CG1 8965 C CG2 . VAL B 492 ? 0.1877 0.2065 0.1971 -0.0280 0.0190 -0.0214 492 VAL B CG2 8966 N N . PRO B 493 ? 0.2022 0.2315 0.2172 -0.0250 0.0169 -0.0244 493 PRO B N 8967 C CA . PRO B 493 ? 0.2157 0.2479 0.2309 -0.0223 0.0154 -0.0259 493 PRO B CA 8968 C C . PRO B 493 ? 0.2347 0.2639 0.2473 -0.0218 0.0140 -0.0257 493 PRO B C 8969 O O . PRO B 493 ? 0.2438 0.2727 0.2537 -0.0185 0.0125 -0.0267 493 PRO B O 8970 C CB . PRO B 493 ? 0.2028 0.2427 0.2242 -0.0235 0.0161 -0.0276 493 PRO B CB 8971 C CG . PRO B 493 ? 0.2004 0.2391 0.2235 -0.0273 0.0180 -0.0265 493 PRO B CG 8972 C CD . PRO B 493 ? 0.1961 0.2292 0.2153 -0.0273 0.0185 -0.0247 493 PRO B CD 8973 N N . ASN B 494 ? 0.2454 0.2723 0.2582 -0.0246 0.0147 -0.0247 494 ASN B N 8974 C CA . ASN B 494 ? 0.2649 0.2884 0.2749 -0.0244 0.0139 -0.0244 494 ASN B CA 8975 C C . ASN B 494 ? 0.2835 0.2998 0.2877 -0.0244 0.0143 -0.0231 494 ASN B C 8976 O O . ASN B 494 ? 0.2924 0.3050 0.2938 -0.0251 0.0145 -0.0227 494 ASN B O 8977 C CB . ASN B 494 ? 0.2629 0.2884 0.2763 -0.0271 0.0144 -0.0242 494 ASN B CB 8978 C CG . ASN B 494 ? 0.2705 0.3021 0.2885 -0.0272 0.0139 -0.0259 494 ASN B CG 8979 O OD1 . ASN B 494 ? 0.2913 0.3245 0.3091 -0.0255 0.0124 -0.0272 494 ASN B OD1 8980 N ND2 . ASN B 494 ? 0.2608 0.2956 0.2825 -0.0292 0.0152 -0.0262 494 ASN B ND2 8981 N N . VAL B 495 ? 0.3019 0.3162 0.3042 -0.0239 0.0147 -0.0228 495 VAL B N 8982 C CA . VAL B 495 ? 0.3135 0.3204 0.3094 -0.0237 0.0152 -0.0221 495 VAL B CA 8983 C C . VAL B 495 ? 0.3149 0.3181 0.3094 -0.0267 0.0163 -0.0215 495 VAL B C 8984 O O . VAL B 495 ? 0.3333 0.3302 0.3219 -0.0265 0.0168 -0.0212 495 VAL B O 8985 C CB . VAL B 495 ? 0.3316 0.3344 0.3212 -0.0196 0.0140 -0.0226 495 VAL B CB 8986 C CG1 . VAL B 495 ? 0.3334 0.3418 0.3257 -0.0165 0.0129 -0.0237 495 VAL B CG1 8987 C CG2 . VAL B 495 ? 0.3498 0.3511 0.3369 -0.0181 0.0132 -0.0229 495 VAL B CG2 8988 N N . THR B 496 ? 0.2885 0.2955 0.2879 -0.0294 0.0169 -0.0214 496 THR B N 8989 C CA . THR B 496 ? 0.2831 0.2884 0.2823 -0.0321 0.0180 -0.0212 496 THR B CA 8990 C C . THR B 496 ? 0.2590 0.2658 0.2605 -0.0341 0.0185 -0.0215 496 THR B C 8991 O O . THR B 496 ? 0.2662 0.2767 0.2710 -0.0337 0.0180 -0.0215 496 THR B O 8992 C CB . THR B 496 ? 0.2842 0.2926 0.2862 -0.0326 0.0178 -0.0212 496 THR B CB 8993 O OG1 . THR B 496 ? 0.2977 0.3053 0.2999 -0.0350 0.0190 -0.0213 496 THR B OG1 8994 C CG2 . THR B 496 ? 0.2698 0.2838 0.2770 -0.0326 0.0172 -0.0214 496 THR B CG2 8995 N N . PRO B 497 ? 0.2473 0.2512 0.2469 -0.0364 0.0196 -0.0220 497 PRO B N 8996 C CA . PRO B 497 ? 0.2478 0.2530 0.2490 -0.0379 0.0197 -0.0228 497 PRO B CA 8997 C C . PRO B 497 ? 0.2379 0.2489 0.2442 -0.0384 0.0192 -0.0234 497 PRO B C 8998 O O . PRO B 497 ? 0.2261 0.2395 0.2345 -0.0385 0.0193 -0.0233 497 PRO B O 8999 C CB . PRO B 497 ? 0.2491 0.2503 0.2473 -0.0408 0.0213 -0.0237 497 PRO B CB 9000 C CG . PRO B 497 ? 0.2576 0.2533 0.2508 -0.0403 0.0222 -0.0229 497 PRO B CG 9001 C CD . PRO B 497 ? 0.2572 0.2564 0.2528 -0.0378 0.0210 -0.0220 497 PRO B CD 9002 N N . TYR B 498 ? 0.2314 0.2440 0.2390 -0.0384 0.0187 -0.0242 498 TYR B N 9003 C CA . TYR B 498 ? 0.2191 0.2361 0.2300 -0.0378 0.0179 -0.0248 498 TYR B CA 9004 C C . TYR B 498 ? 0.2281 0.2480 0.2409 -0.0392 0.0177 -0.0269 498 TYR B C 9005 O O . TYR B 498 ? 0.2271 0.2508 0.2423 -0.0384 0.0170 -0.0276 498 TYR B O 9006 C CB . TYR B 498 ? 0.2090 0.2258 0.2194 -0.0356 0.0172 -0.0241 498 TYR B CB 9007 C CG . TYR B 498 ? 0.2049 0.2239 0.2167 -0.0344 0.0170 -0.0237 498 TYR B CG 9008 C CD1 . TYR B 498 ? 0.2002 0.2195 0.2127 -0.0343 0.0175 -0.0227 498 TYR B CD1 9009 C CD2 . TYR B 498 ? 0.1990 0.2191 0.2108 -0.0333 0.0162 -0.0246 498 TYR B CD2 9010 C CE1 . TYR B 498 ? 0.1975 0.2174 0.2104 -0.0336 0.0175 -0.0225 498 TYR B CE1 9011 C CE2 . TYR B 498 ? 0.1996 0.2199 0.2110 -0.0320 0.0162 -0.0242 498 TYR B CE2 9012 C CZ . TYR B 498 ? 0.1986 0.2185 0.2104 -0.0324 0.0170 -0.0231 498 TYR B CZ 9013 O OH . TYR B 498 ? 0.1959 0.2147 0.2063 -0.0315 0.0173 -0.0228 498 TYR B OH 9014 N N . ILE B 499 ? 0.2283 0.2464 0.2399 -0.0411 0.0181 -0.0280 499 ILE B N 9015 C CA . ILE B 499 ? 0.2332 0.2553 0.2474 -0.0427 0.0178 -0.0308 499 ILE B CA 9016 C C . ILE B 499 ? 0.2324 0.2592 0.2500 -0.0442 0.0185 -0.0322 499 ILE B C 9017 O O . ILE B 499 ? 0.2403 0.2727 0.2613 -0.0442 0.0176 -0.0347 499 ILE B O 9018 C CB . ILE B 499 ? 0.2367 0.2556 0.2488 -0.0452 0.0184 -0.0321 499 ILE B CB 9019 C CG1 . ILE B 499 ? 0.2340 0.2581 0.2494 -0.0461 0.0173 -0.0355 499 ILE B CG1 9020 C CG2 . ILE B 499 ? 0.2441 0.2589 0.2538 -0.0485 0.0208 -0.0320 499 ILE B CG2 9021 C CD1 . ILE B 499 ? 0.2407 0.2660 0.2558 -0.0425 0.0150 -0.0356 499 ILE B CD1 9022 N N . ARG B 500 ? 0.2307 0.2554 0.2473 -0.0450 0.0199 -0.0308 500 ARG B N 9023 C CA . ARG B 500 ? 0.2240 0.2527 0.2433 -0.0459 0.0206 -0.0316 500 ARG B CA 9024 C C . ARG B 500 ? 0.2135 0.2474 0.2356 -0.0430 0.0188 -0.0323 500 ARG B C 9025 O O . ARG B 500 ? 0.2047 0.2440 0.2299 -0.0433 0.0189 -0.0343 500 ARG B O 9026 C CB . ARG B 500 ? 0.2321 0.2566 0.2487 -0.0460 0.0219 -0.0295 500 ARG B CB 9027 C CG . ARG B 500 ? 0.2418 0.2640 0.2568 -0.0430 0.0206 -0.0271 500 ARG B CG 9028 C CD . ARG B 500 ? 0.2580 0.2762 0.2700 -0.0429 0.0215 -0.0255 500 ARG B CD 9029 N NE . ARG B 500 ? 0.2631 0.2757 0.2709 -0.0445 0.0230 -0.0254 500 ARG B NE 9030 C CZ . ARG B 500 ? 0.2710 0.2787 0.2746 -0.0442 0.0238 -0.0243 500 ARG B CZ 9031 N NH1 . ARG B 500 ? 0.2712 0.2797 0.2751 -0.0425 0.0232 -0.0234 500 ARG B NH1 9032 N NH2 . ARG B 500 ? 0.2693 0.2705 0.2675 -0.0454 0.0253 -0.0242 500 ARG B NH2 9033 N N . TYR B 501 ? 0.2040 0.2361 0.2245 -0.0401 0.0174 -0.0308 501 TYR B N 9034 C CA . TYR B 501 ? 0.2018 0.2365 0.2228 -0.0371 0.0159 -0.0310 501 TYR B CA 9035 C C . TYR B 501 ? 0.2031 0.2418 0.2255 -0.0356 0.0143 -0.0336 501 TYR B C 9036 O O . TYR B 501 ? 0.1979 0.2405 0.2214 -0.0336 0.0132 -0.0352 501 TYR B O 9037 C CB . TYR B 501 ? 0.2064 0.2368 0.2246 -0.0351 0.0157 -0.0285 501 TYR B CB 9038 C CG . TYR B 501 ? 0.2017 0.2295 0.2192 -0.0361 0.0168 -0.0266 501 TYR B CG 9039 C CD1 . TYR B 501 ? 0.2044 0.2334 0.2226 -0.0363 0.0172 -0.0265 501 TYR B CD1 9040 C CD2 . TYR B 501 ? 0.2010 0.2254 0.2168 -0.0363 0.0172 -0.0251 501 TYR B CD2 9041 C CE1 . TYR B 501 ? 0.2022 0.2288 0.2195 -0.0369 0.0178 -0.0250 501 TYR B CE1 9042 C CE2 . TYR B 501 ? 0.2044 0.2272 0.2197 -0.0366 0.0178 -0.0238 501 TYR B CE2 9043 C CZ . TYR B 501 ? 0.2035 0.2272 0.2195 -0.0370 0.0180 -0.0238 501 TYR B CZ 9044 O OH . TYR B 501 ? 0.2083 0.2303 0.2234 -0.0370 0.0183 -0.0228 501 TYR B OH 9045 N N . PHE B 502 ? 0.2065 0.2441 0.2283 -0.0362 0.0139 -0.0343 502 PHE B N 9046 C CA . PHE B 502 ? 0.2224 0.2646 0.2459 -0.0350 0.0121 -0.0375 502 PHE B CA 9047 C C . PHE B 502 ? 0.2189 0.2681 0.2472 -0.0375 0.0125 -0.0409 502 PHE B C 9048 O O . PHE B 502 ? 0.2185 0.2740 0.2492 -0.0354 0.0108 -0.0438 502 PHE B O 9049 C CB . PHE B 502 ? 0.2286 0.2681 0.2504 -0.0356 0.0116 -0.0379 502 PHE B CB 9050 C CG . PHE B 502 ? 0.2442 0.2885 0.2676 -0.0341 0.0093 -0.0415 502 PHE B CG 9051 C CD1 . PHE B 502 ? 0.2477 0.2919 0.2685 -0.0292 0.0071 -0.0418 502 PHE B CD1 9052 C CD2 . PHE B 502 ? 0.2521 0.3006 0.2789 -0.0374 0.0095 -0.0448 502 PHE B CD2 9053 C CE1 . PHE B 502 ? 0.2547 0.3036 0.2765 -0.0271 0.0046 -0.0455 502 PHE B CE1 9054 C CE2 . PHE B 502 ? 0.2549 0.3091 0.2838 -0.0360 0.0071 -0.0488 502 PHE B CE2 9055 C CZ . PHE B 502 ? 0.2583 0.3128 0.2846 -0.0304 0.0044 -0.0492 502 PHE B CZ 9056 N N . VAL B 503 ? 0.2157 0.2637 0.2449 -0.0419 0.0149 -0.0407 503 VAL B N 9057 C CA . VAL B 503 ? 0.2280 0.2821 0.2616 -0.0452 0.0163 -0.0438 503 VAL B CA 9058 C C . VAL B 503 ? 0.2343 0.2931 0.2700 -0.0431 0.0161 -0.0442 503 VAL B C 9059 O O . VAL B 503 ? 0.2357 0.3027 0.2757 -0.0427 0.0153 -0.0478 503 VAL B O 9060 C CB . VAL B 503 ? 0.2305 0.2798 0.2626 -0.0502 0.0196 -0.0429 503 VAL B CB 9061 C CG1 . VAL B 503 ? 0.2360 0.2913 0.2724 -0.0540 0.0218 -0.0461 503 VAL B CG1 9062 C CG2 . VAL B 503 ? 0.2366 0.2813 0.2662 -0.0522 0.0198 -0.0432 503 VAL B CG2 9063 N N . SER B 504 ? 0.2310 0.2848 0.2636 -0.0416 0.0165 -0.0407 504 SER B N 9064 C CA . SER B 504 ? 0.2330 0.2897 0.2663 -0.0394 0.0163 -0.0407 504 SER B CA 9065 C C . SER B 504 ? 0.2321 0.2934 0.2659 -0.0347 0.0135 -0.0427 504 SER B C 9066 O O . SER B 504 ? 0.2458 0.3129 0.2819 -0.0332 0.0131 -0.0448 504 SER B O 9067 C CB . SER B 504 ? 0.2358 0.2856 0.2651 -0.0383 0.0168 -0.0368 504 SER B CB 9068 O OG . SER B 504 ? 0.2783 0.3300 0.3074 -0.0355 0.0160 -0.0368 504 SER B OG 9069 N N . PHE B 505 ? 0.2340 0.2921 0.2648 -0.0319 0.0116 -0.0421 505 PHE B N 9070 C CA . PHE B 505 ? 0.2468 0.3069 0.2757 -0.0267 0.0089 -0.0435 505 PHE B CA 9071 C C . PHE B 505 ? 0.2574 0.3271 0.2910 -0.0258 0.0072 -0.0485 505 PHE B C 9072 O O . PHE B 505 ? 0.2670 0.3410 0.3003 -0.0214 0.0052 -0.0508 505 PHE B O 9073 C CB . PHE B 505 ? 0.2521 0.3050 0.2755 -0.0240 0.0078 -0.0413 505 PHE B CB 9074 C CG . PHE B 505 ? 0.2587 0.3044 0.2771 -0.0225 0.0086 -0.0378 505 PHE B CG 9075 C CD1 . PHE B 505 ? 0.2589 0.3019 0.2780 -0.0257 0.0108 -0.0353 505 PHE B CD1 9076 C CD2 . PHE B 505 ? 0.2658 0.3070 0.2784 -0.0180 0.0073 -0.0372 505 PHE B CD2 9077 C CE1 . PHE B 505 ? 0.2656 0.3027 0.2808 -0.0247 0.0114 -0.0326 505 PHE B CE1 9078 C CE2 . PHE B 505 ? 0.2781 0.3123 0.2860 -0.0174 0.0085 -0.0342 505 PHE B CE2 9079 C CZ . PHE B 505 ? 0.2806 0.3134 0.2904 -0.0210 0.0105 -0.0321 505 PHE B CZ 9080 N N . VAL B 506 ? 0.2620 0.3351 0.2996 -0.0299 0.0080 -0.0506 506 VAL B N 9081 C CA . VAL B 506 ? 0.2713 0.3549 0.3147 -0.0302 0.0067 -0.0561 506 VAL B CA 9082 C C . VAL B 506 ? 0.2683 0.3594 0.3169 -0.0326 0.0086 -0.0582 506 VAL B C 9083 O O . VAL B 506 ? 0.2726 0.3725 0.3245 -0.0296 0.0070 -0.0620 506 VAL B O 9084 C CB . VAL B 506 ? 0.2759 0.3598 0.3214 -0.0346 0.0074 -0.0577 506 VAL B CB 9085 C CG1 . VAL B 506 ? 0.2821 0.3779 0.3345 -0.0358 0.0063 -0.0640 506 VAL B CG1 9086 C CG2 . VAL B 506 ? 0.2801 0.3568 0.3202 -0.0318 0.0055 -0.0556 506 VAL B CG2 9087 N N . LEU B 507 ? 0.2646 0.3516 0.3133 -0.0376 0.0121 -0.0558 507 LEU B N 9088 C CA . LEU B 507 ? 0.2716 0.3633 0.3240 -0.0407 0.0149 -0.0571 507 LEU B CA 9089 C C . LEU B 507 ? 0.2697 0.3642 0.3216 -0.0362 0.0139 -0.0569 507 LEU B C 9090 O O . LEU B 507 ? 0.2597 0.3629 0.3163 -0.0367 0.0148 -0.0602 507 LEU B O 9091 C CB . LEU B 507 ? 0.2769 0.3599 0.3263 -0.0454 0.0184 -0.0533 507 LEU B CB 9092 C CG . LEU B 507 ? 0.2974 0.3816 0.3492 -0.0517 0.0226 -0.0546 507 LEU B CG 9093 C CD1 . LEU B 507 ? 0.2900 0.3839 0.3483 -0.0553 0.0233 -0.0603 507 LEU B CD1 9094 C CD2 . LEU B 507 ? 0.2786 0.3514 0.3248 -0.0548 0.0247 -0.0508 507 LEU B CD2 9095 N N . GLN B 508 ? 0.2473 0.3343 0.2932 -0.0320 0.0124 -0.0532 508 GLN B N 9096 C CA . GLN B 508 ? 0.2448 0.3327 0.2889 -0.0278 0.0116 -0.0528 508 GLN B CA 9097 C C . GLN B 508 ? 0.2453 0.3426 0.2917 -0.0227 0.0087 -0.0574 508 GLN B C 9098 O O . GLN B 508 ? 0.2313 0.3334 0.2789 -0.0206 0.0088 -0.0589 508 GLN B O 9099 C CB . GLN B 508 ? 0.2384 0.3155 0.2752 -0.0251 0.0109 -0.0481 508 GLN B CB 9100 C CG . GLN B 508 ? 0.2343 0.3067 0.2664 -0.0212 0.0084 -0.0473 508 GLN B CG 9101 C CD . GLN B 508 ? 0.2356 0.2972 0.2612 -0.0203 0.0088 -0.0427 508 GLN B CD 9102 O OE1 . GLN B 508 ? 0.2433 0.3011 0.2637 -0.0159 0.0075 -0.0420 508 GLN B OE1 9103 N NE2 . GLN B 508 ? 0.2265 0.2833 0.2521 -0.0244 0.0109 -0.0399 508 GLN B NE2 9104 N N . PHE B 509 ? 0.2485 0.3481 0.2950 -0.0202 0.0060 -0.0597 509 PHE B N 9105 C CA . PHE B 509 ? 0.2606 0.3696 0.3091 -0.0148 0.0027 -0.0647 509 PHE B CA 9106 C C . PHE B 509 ? 0.2631 0.3860 0.3212 -0.0182 0.0038 -0.0702 509 PHE B C 9107 O O . PHE B 509 ? 0.2578 0.3906 0.3191 -0.0144 0.0022 -0.0744 509 PHE B O 9108 C CB . PHE B 509 ? 0.2526 0.3586 0.2968 -0.0103 -0.0006 -0.0653 509 PHE B CB 9109 C CG . PHE B 509 ? 0.2563 0.3496 0.2905 -0.0059 -0.0015 -0.0607 509 PHE B CG 9110 C CD1 . PHE B 509 ? 0.2559 0.3477 0.2843 0.0010 -0.0038 -0.0612 509 PHE B CD1 9111 C CD2 . PHE B 509 ? 0.2466 0.3293 0.2768 -0.0090 0.0002 -0.0559 509 PHE B CD2 9112 C CE1 . PHE B 509 ? 0.2583 0.3374 0.2768 0.0043 -0.0040 -0.0570 509 PHE B CE1 9113 C CE2 . PHE B 509 ? 0.2481 0.3198 0.2697 -0.0059 0.0000 -0.0520 509 PHE B CE2 9114 C CZ . PHE B 509 ? 0.2571 0.3265 0.2726 0.0004 -0.0019 -0.0525 509 PHE B CZ 9115 N N . GLN B 510 ? 0.2776 0.4010 0.3399 -0.0256 0.0068 -0.0703 510 GLN B N 9116 C CA . GLN B 510 ? 0.2822 0.4175 0.3534 -0.0306 0.0091 -0.0754 510 GLN B CA 9117 C C . GLN B 510 ? 0.2952 0.4332 0.3681 -0.0316 0.0119 -0.0750 510 GLN B C 9118 O O . GLN B 510 ? 0.2878 0.4385 0.3673 -0.0313 0.0121 -0.0801 510 GLN B O 9119 C CB . GLN B 510 ? 0.2896 0.4217 0.3629 -0.0386 0.0123 -0.0750 510 GLN B CB 9120 C CG . GLN B 510 ? 0.2993 0.4319 0.3729 -0.0385 0.0097 -0.0770 510 GLN B CG 9121 C CD . GLN B 510 ? 0.3006 0.4302 0.3760 -0.0466 0.0131 -0.0772 510 GLN B CD 9122 O OE1 . GLN B 510 ? 0.2994 0.4171 0.3689 -0.0483 0.0141 -0.0725 510 GLN B OE1 9123 N NE2 . GLN B 510 ? 0.2899 0.4302 0.3730 -0.0516 0.0150 -0.0828 510 GLN B NE2 9124 N N . PHE B 511 ? 0.2790 0.4055 0.3460 -0.0329 0.0140 -0.0692 511 PHE B N 9125 C CA . PHE B 511 ? 0.2897 0.4163 0.3566 -0.0335 0.0167 -0.0680 511 PHE B CA 9126 C C . PHE B 511 ? 0.2901 0.4215 0.3558 -0.0261 0.0137 -0.0695 511 PHE B C 9127 O O . PHE B 511 ? 0.2833 0.4234 0.3532 -0.0257 0.0149 -0.0725 511 PHE B O 9128 C CB . PHE B 511 ? 0.2894 0.4020 0.3493 -0.0351 0.0185 -0.0615 511 PHE B CB 9129 C CG . PHE B 511 ? 0.2981 0.4047 0.3577 -0.0420 0.0220 -0.0596 511 PHE B CG 9130 C CD1 . PHE B 511 ? 0.3095 0.4219 0.3743 -0.0473 0.0240 -0.0633 511 PHE B CD1 9131 C CD2 . PHE B 511 ? 0.3079 0.4026 0.3612 -0.0431 0.0233 -0.0543 511 PHE B CD2 9132 C CE1 . PHE B 511 ? 0.3037 0.4086 0.3664 -0.0533 0.0273 -0.0613 511 PHE B CE1 9133 C CE2 . PHE B 511 ? 0.3117 0.3999 0.3634 -0.0484 0.0263 -0.0526 511 PHE B CE2 9134 C CZ . PHE B 511 ? 0.3068 0.3993 0.3625 -0.0535 0.0283 -0.0559 511 PHE B CZ 9135 N N . HIS B 512 ? 0.2830 0.4077 0.3422 -0.0201 0.0101 -0.0673 512 HIS B N 9136 C CA . HIS B 512 ? 0.2952 0.4219 0.3509 -0.0123 0.0070 -0.0686 512 HIS B CA 9137 C C . HIS B 512 ? 0.3103 0.4528 0.3730 -0.0092 0.0051 -0.0756 512 HIS B C 9138 O O . HIS B 512 ? 0.3030 0.4520 0.3672 -0.0062 0.0052 -0.0777 512 HIS B O 9139 C CB . HIS B 512 ? 0.2934 0.4098 0.3404 -0.0070 0.0038 -0.0657 512 HIS B CB 9140 C CG . HIS B 512 ? 0.2958 0.4105 0.3365 0.0010 0.0009 -0.0661 512 HIS B CG 9141 N ND1 . HIS B 512 ? 0.2992 0.4089 0.3357 0.0025 0.0020 -0.0636 512 HIS B ND1 9142 C CD2 . HIS B 512 ? 0.3006 0.4167 0.3372 0.0085 -0.0030 -0.0688 512 HIS B CD2 9143 C CE1 . HIS B 512 ? 0.3078 0.4155 0.3376 0.0103 -0.0009 -0.0645 512 HIS B CE1 9144 N NE2 . HIS B 512 ? 0.3070 0.4184 0.3366 0.0143 -0.0041 -0.0677 512 HIS B NE2 9145 N N . GLU B 513 ? 0.3166 0.4659 0.3839 -0.0100 0.0034 -0.0794 513 GLU B N 9146 C CA . GLU B 513 ? 0.3271 0.4930 0.4021 -0.0074 0.0014 -0.0869 513 GLU B CA 9147 C C . GLU B 513 ? 0.3223 0.4995 0.4061 -0.0125 0.0053 -0.0902 513 GLU B C 9148 O O . GLU B 513 ? 0.3426 0.5310 0.4299 -0.0082 0.0042 -0.0946 513 GLU B O 9149 C CB . GLU B 513 ? 0.3322 0.5033 0.4113 -0.0089 -0.0005 -0.0906 513 GLU B CB 9150 C CG . GLU B 513 ? 0.3447 0.5336 0.4314 -0.0049 -0.0037 -0.0990 513 GLU B CG 9151 C CD . GLU B 513 ? 0.3651 0.5601 0.4568 -0.0072 -0.0055 -0.1033 513 GLU B CD 9152 O OE1 . GLU B 513 ? 0.3529 0.5462 0.4485 -0.0159 -0.0020 -0.1025 513 GLU B OE1 9153 O OE2 . GLU B 513 ? 0.3856 0.5869 0.4768 0.0000 -0.0105 -0.1076 513 GLU B OE2 9154 N N . ALA B 514 ? 0.3089 0.4825 0.3953 -0.0214 0.0101 -0.0881 514 ALA B N 9155 C CA . ALA B 514 ? 0.3010 0.4833 0.3947 -0.0274 0.0148 -0.0909 514 ALA B CA 9156 C C . ALA B 514 ? 0.3056 0.4855 0.3959 -0.0246 0.0163 -0.0884 514 ALA B C 9157 O O . ALA B 514 ? 0.3096 0.5009 0.4060 -0.0254 0.0183 -0.0925 514 ALA B O 9158 C CB . ALA B 514 ? 0.3028 0.4782 0.3971 -0.0370 0.0196 -0.0884 514 ALA B CB 9159 N N . LEU B 515 ? 0.2875 0.4528 0.3683 -0.0216 0.0154 -0.0821 515 LEU B N 9160 C CA . LEU B 515 ? 0.2897 0.4516 0.3664 -0.0187 0.0164 -0.0797 515 LEU B CA 9161 C C . LEU B 515 ? 0.2992 0.4689 0.3753 -0.0098 0.0125 -0.0832 515 LEU B C 9162 O O . LEU B 515 ? 0.3010 0.4768 0.3788 -0.0081 0.0138 -0.0849 515 LEU B O 9163 C CB . LEU B 515 ? 0.2738 0.4183 0.3409 -0.0188 0.0167 -0.0723 515 LEU B CB 9164 C CG . LEU B 515 ? 0.2697 0.4065 0.3367 -0.0269 0.0210 -0.0688 515 LEU B CG 9165 C CD1 . LEU B 515 ? 0.2652 0.3865 0.3234 -0.0263 0.0208 -0.0623 515 LEU B CD1 9166 C CD2 . LEU B 515 ? 0.2614 0.4043 0.3332 -0.0321 0.0259 -0.0708 515 LEU B CD2 9167 N N . CYS B 516 ? 0.3194 0.4882 0.3921 -0.0038 0.0077 -0.0842 516 CYS B N 9168 C CA . CYS B 516 ? 0.3515 0.5263 0.4218 0.0058 0.0034 -0.0877 516 CYS B CA 9169 C C . CYS B 516 ? 0.3594 0.5545 0.4404 0.0068 0.0031 -0.0958 516 CYS B C 9170 O O . CYS B 516 ? 0.3432 0.5449 0.4240 0.0126 0.0019 -0.0985 516 CYS B O 9171 C CB . CYS B 516 ? 0.3820 0.5499 0.4454 0.0115 -0.0012 -0.0869 516 CYS B CB 9172 S SG . CYS B 516 ? 0.4174 0.5625 0.4672 0.0124 -0.0011 -0.0782 516 CYS B SG 9173 N N . LYS B 517 ? 0.3741 0.5790 0.4642 0.0011 0.0041 -0.1000 517 LYS B N 9174 C CA . LYS B 517 ? 0.4007 0.6261 0.5027 0.0001 0.0047 -0.1081 517 LYS B CA 9175 C C . LYS B 517 ? 0.3974 0.6271 0.5032 -0.0040 0.0099 -0.1082 517 LYS B C 9176 O O . LYS B 517 ? 0.3937 0.6367 0.5043 0.0001 0.0094 -0.1132 517 LYS B O 9177 C CB . LYS B 517 ? 0.4238 0.6571 0.5347 -0.0072 0.0059 -0.1121 517 LYS B CB 9178 C CG . LYS B 517 ? 0.4576 0.7135 0.5813 -0.0079 0.0061 -0.1216 517 LYS B CG 9179 C CD . LYS B 517 ? 0.4885 0.7508 0.6216 -0.0189 0.0101 -0.1248 517 LYS B CD 9180 C CE . LYS B 517 ? 0.5056 0.7914 0.6524 -0.0207 0.0112 -0.1346 517 LYS B CE 9181 N NZ . LYS B 517 ? 0.5182 0.8090 0.6736 -0.0332 0.0170 -0.1373 517 LYS B NZ 9182 N N . GLU B 518 ? 0.3922 0.6102 0.4954 -0.0116 0.0147 -0.1025 518 GLU B N 9183 C CA . GLU B 518 ? 0.3897 0.6094 0.4953 -0.0163 0.0202 -0.1019 518 GLU B CA 9184 C C . GLU B 518 ? 0.3886 0.6058 0.4882 -0.0088 0.0188 -0.1002 518 GLU B C 9185 O O . GLU B 518 ? 0.3996 0.6263 0.5038 -0.0092 0.0216 -0.1032 518 GLU B O 9186 C CB . GLU B 518 ? 0.3907 0.5964 0.4927 -0.0250 0.0250 -0.0960 518 GLU B CB 9187 C CG . GLU B 518 ? 0.4174 0.6242 0.5215 -0.0309 0.0313 -0.0956 518 GLU B CG 9188 C CD . GLU B 518 ? 0.4229 0.6458 0.5386 -0.0377 0.0355 -0.1026 518 GLU B CD 9189 O OE1 . GLU B 518 ? 0.4346 0.6677 0.5573 -0.0388 0.0336 -0.1077 518 GLU B OE1 9190 O OE2 . GLU B 518 ? 0.4249 0.6501 0.5426 -0.0422 0.0410 -0.1031 518 GLU B OE2 9191 N N . ALA B 519 ? 0.3780 0.5823 0.4671 -0.0021 0.0147 -0.0956 519 ALA B N 9192 C CA . ALA B 519 ? 0.3759 0.5762 0.4576 0.0060 0.0126 -0.0941 519 ALA B CA 9193 C C . ALA B 519 ? 0.3800 0.5959 0.4653 0.0145 0.0089 -0.1011 519 ALA B C 9194 O O . ALA B 519 ? 0.3812 0.5964 0.4615 0.0212 0.0077 -0.1010 519 ALA B O 9195 C CB . ALA B 519 ? 0.3643 0.5463 0.4335 0.0102 0.0094 -0.0878 519 ALA B CB 9196 N N . GLY B 520 ? 0.3835 0.6132 0.4771 0.0146 0.0069 -0.1073 520 GLY B N 9197 C CA . GLY B 520 ? 0.3732 0.6194 0.4712 0.0230 0.0029 -0.1148 520 GLY B CA 9198 C C . GLY B 520 ? 0.3910 0.6287 0.4781 0.0337 -0.0035 -0.1138 520 GLY B C 9199 O O . GLY B 520 ? 0.3859 0.6322 0.4718 0.0432 -0.0075 -0.1186 520 GLY B O 9200 N N . TYR B 521 ? 0.3977 0.6180 0.4761 0.0322 -0.0043 -0.1076 521 TYR B N 9201 C CA . TYR B 521 ? 0.4194 0.6298 0.4866 0.0414 -0.0098 -0.1062 521 TYR B CA 9202 C C . TYR B 521 ? 0.4439 0.6666 0.5169 0.0442 -0.0137 -0.1127 521 TYR B C 9203 O O . TYR B 521 ? 0.4512 0.6829 0.5348 0.0364 -0.0116 -0.1152 521 TYR B O 9204 C CB . TYR B 521 ? 0.4153 0.6041 0.4721 0.0382 -0.0088 -0.0978 521 TYR B CB 9205 C CG . TYR B 521 ? 0.4288 0.6060 0.4732 0.0468 -0.0137 -0.0962 521 TYR B CG 9206 C CD1 . TYR B 521 ? 0.4436 0.6116 0.4759 0.0556 -0.0160 -0.0947 521 TYR B CD1 9207 C CD2 . TYR B 521 ? 0.4322 0.6067 0.4761 0.0461 -0.0157 -0.0964 521 TYR B CD2 9208 C CE1 . TYR B 521 ? 0.4538 0.6096 0.4733 0.0634 -0.0200 -0.0932 521 TYR B CE1 9209 C CE2 . TYR B 521 ? 0.4379 0.6008 0.4694 0.0539 -0.0197 -0.0949 521 TYR B CE2 9210 C CZ . TYR B 521 ? 0.4581 0.6114 0.4773 0.0624 -0.0217 -0.0933 521 TYR B CZ 9211 O OH . TYR B 521 ? 0.4960 0.6363 0.5016 0.0700 -0.0251 -0.0918 521 TYR B OH 9212 N N . GLU B 522 ? 0.4694 0.6922 0.5351 0.0555 -0.0194 -0.1154 522 GLU B N 9213 C CA . GLU B 522 ? 0.5023 0.7388 0.5735 0.0599 -0.0238 -0.1227 522 GLU B CA 9214 C C . GLU B 522 ? 0.5037 0.7279 0.5614 0.0693 -0.0293 -0.1214 522 GLU B C 9215 O O . GLU B 522 ? 0.5138 0.7479 0.5739 0.0748 -0.0339 -0.1274 522 GLU B O 9216 C CB . GLU B 522 ? 0.5504 0.8092 0.6309 0.0652 -0.0256 -0.1316 522 GLU B CB 9217 C CG . GLU B 522 ? 0.5762 0.8515 0.6729 0.0549 -0.0201 -0.1352 522 GLU B CG 9218 C CD . GLU B 522 ? 0.6078 0.9080 0.7157 0.0596 -0.0220 -0.1453 522 GLU B CD 9219 O OE1 . GLU B 522 ? 0.6367 0.9399 0.7404 0.0681 -0.0237 -0.1469 522 GLU B OE1 9220 O OE2 . GLU B 522 ? 0.6138 0.9309 0.7350 0.0545 -0.0217 -0.1519 522 GLU B OE2 9221 N N . GLY B 523 ? 0.4819 0.6843 0.5252 0.0710 -0.0288 -0.1137 523 GLY B N 9222 C CA . GLY B 523 ? 0.4652 0.6527 0.4941 0.0788 -0.0329 -0.1114 523 GLY B CA 9223 C C . GLY B 523 ? 0.4378 0.6170 0.4668 0.0720 -0.0318 -0.1079 523 GLY B C 9224 O O . GLY B 523 ? 0.4046 0.5924 0.4460 0.0623 -0.0288 -0.1087 523 GLY B O 9225 N N . PRO B 524 ? 0.4401 0.6022 0.4548 0.0772 -0.0341 -0.1042 524 PRO B N 9226 C CA . PRO B 524 ? 0.4308 0.5834 0.4443 0.0713 -0.0329 -0.1003 524 PRO B CA 9227 C C . PRO B 524 ? 0.4232 0.5689 0.4409 0.0597 -0.0270 -0.0940 524 PRO B C 9228 O O . PRO B 524 ? 0.4083 0.5455 0.4212 0.0587 -0.0245 -0.0898 524 PRO B O 9229 C CB . PRO B 524 ? 0.4432 0.5762 0.4381 0.0796 -0.0354 -0.0966 524 PRO B CB 9230 C CG . PRO B 524 ? 0.4550 0.5918 0.4429 0.0916 -0.0397 -0.1012 524 PRO B CG 9231 C CD . PRO B 524 ? 0.4537 0.6038 0.4518 0.0891 -0.0377 -0.1035 524 PRO B CD 9232 N N . LEU B 525 ? 0.4227 0.5718 0.4488 0.0514 -0.0251 -0.0936 525 LEU B N 9233 C CA . LEU B 525 ? 0.4199 0.5642 0.4508 0.0406 -0.0198 -0.0886 525 LEU B CA 9234 C C . LEU B 525 ? 0.4149 0.5391 0.4340 0.0399 -0.0177 -0.0808 525 LEU B C 9235 O O . LEU B 525 ? 0.4020 0.5223 0.4226 0.0344 -0.0141 -0.0771 525 LEU B O 9236 C CB . LEU B 525 ? 0.4333 0.5828 0.4730 0.0331 -0.0186 -0.0897 525 LEU B CB 9237 C CG . LEU B 525 ? 0.4408 0.5875 0.4865 0.0220 -0.0133 -0.0857 525 LEU B CG 9238 C CD1 . LEU B 525 ? 0.4366 0.5934 0.4908 0.0177 -0.0101 -0.0875 525 LEU B CD1 9239 C CD2 . LEU B 525 ? 0.4333 0.5832 0.4850 0.0162 -0.0129 -0.0870 525 LEU B CD2 9240 N N . HIS B 526 ? 0.4188 0.5305 0.4261 0.0456 -0.0201 -0.0788 526 HIS B N 9241 C CA . HIS B 526 ? 0.4111 0.5039 0.4070 0.0446 -0.0180 -0.0720 526 HIS B CA 9242 C C . HIS B 526 ? 0.4120 0.4974 0.3992 0.0494 -0.0179 -0.0703 526 HIS B C 9243 O O . HIS B 526 ? 0.4098 0.4797 0.3873 0.0486 -0.0161 -0.0652 526 HIS B O 9244 C CB . HIS B 526 ? 0.4207 0.5020 0.4063 0.0486 -0.0199 -0.0705 526 HIS B CB 9245 C CG . HIS B 526 ? 0.4306 0.5103 0.4063 0.0599 -0.0244 -0.0740 526 HIS B CG 9246 N ND1 . HIS B 526 ? 0.4327 0.5266 0.4138 0.0651 -0.0285 -0.0807 526 HIS B ND1 9247 C CD2 . HIS B 526 ? 0.4457 0.5111 0.4060 0.0672 -0.0255 -0.0720 526 HIS B CD2 9248 C CE1 . HIS B 526 ? 0.4555 0.5439 0.4245 0.0758 -0.0322 -0.0826 526 HIS B CE1 9249 N NE2 . HIS B 526 ? 0.4667 0.5371 0.4224 0.0773 -0.0304 -0.0773 526 HIS B NE2 9250 N N . GLN B 527 ? 0.4110 0.5076 0.4014 0.0544 -0.0198 -0.0749 527 GLN B N 9251 C CA . GLN B 527 ? 0.4293 0.5198 0.4117 0.0592 -0.0198 -0.0738 527 GLN B CA 9252 C C . GLN B 527 ? 0.4199 0.5204 0.4125 0.0539 -0.0169 -0.0743 527 GLN B C 9253 O O . GLN B 527 ? 0.4260 0.5235 0.4137 0.0573 -0.0167 -0.0737 527 GLN B O 9254 C CB . GLN B 527 ? 0.4470 0.5395 0.4212 0.0712 -0.0246 -0.0783 527 GLN B CB 9255 C CG . GLN B 527 ? 0.4866 0.5629 0.4454 0.0774 -0.0268 -0.0764 527 GLN B CG 9256 C CD . GLN B 527 ? 0.5183 0.5941 0.4664 0.0903 -0.0316 -0.0806 527 GLN B CD 9257 O OE1 . GLN B 527 ? 0.5244 0.6146 0.4783 0.0951 -0.0339 -0.0859 527 GLN B OE1 9258 N NE2 . GLN B 527 ? 0.5449 0.6036 0.4767 0.0962 -0.0330 -0.0784 527 GLN B NE2 9259 N N . CYS B 528 ? 0.4029 0.5143 0.4087 0.0458 -0.0146 -0.0753 528 CYS B N 9260 C CA . CYS B 528 ? 0.3927 0.5128 0.4080 0.0399 -0.0113 -0.0757 528 CYS B CA 9261 C C . CYS B 528 ? 0.3783 0.4854 0.3891 0.0347 -0.0077 -0.0694 528 CYS B C 9262 O O . CYS B 528 ? 0.3512 0.4471 0.3584 0.0305 -0.0063 -0.0648 528 CYS B O 9263 C CB . CYS B 528 ? 0.4000 0.5328 0.4288 0.0323 -0.0094 -0.0784 528 CYS B CB 9264 S SG . CYS B 528 ? 0.4404 0.5805 0.4792 0.0236 -0.0042 -0.0779 528 CYS B SG 9265 N N . ASP B 529 ? 0.3580 0.4676 0.3695 0.0352 -0.0063 -0.0695 529 ASP B N 9266 C CA . ASP B 529 ? 0.3399 0.4397 0.3487 0.0302 -0.0030 -0.0644 529 ASP B CA 9267 C C . ASP B 529 ? 0.3349 0.4465 0.3538 0.0257 0.0000 -0.0664 529 ASP B C 9268 O O . ASP B 529 ? 0.3232 0.4441 0.3442 0.0302 -0.0007 -0.0702 529 ASP B O 9269 C CB . ASP B 529 ? 0.3427 0.4299 0.3386 0.0365 -0.0043 -0.0620 529 ASP B CB 9270 C CG . ASP B 529 ? 0.3337 0.4108 0.3266 0.0316 -0.0013 -0.0572 529 ASP B CG 9271 O OD1 . ASP B 529 ? 0.3242 0.4027 0.3239 0.0238 0.0015 -0.0552 529 ASP B OD1 9272 O OD2 . ASP B 529 ? 0.3261 0.3932 0.3089 0.0358 -0.0020 -0.0555 529 ASP B OD2 9273 N N . ILE B 530 ? 0.3161 0.4269 0.3407 0.0171 0.0034 -0.0639 530 ILE B N 9274 C CA . ILE B 530 ? 0.3074 0.4272 0.3404 0.0119 0.0070 -0.0653 530 ILE B CA 9275 C C . ILE B 530 ? 0.3024 0.4151 0.3310 0.0112 0.0091 -0.0620 530 ILE B C 9276 O O . ILE B 530 ? 0.2909 0.4094 0.3249 0.0072 0.0124 -0.0628 530 ILE B O 9277 C CB . ILE B 530 ? 0.3041 0.4265 0.3446 0.0033 0.0099 -0.0648 530 ILE B CB 9278 C CG1 . ILE B 530 ? 0.3033 0.4110 0.3384 -0.0009 0.0112 -0.0588 530 ILE B CG1 9279 C CG2 . ILE B 530 ? 0.3066 0.4374 0.3523 0.0038 0.0078 -0.0688 530 ILE B CG2 9280 C CD1 . ILE B 530 ? 0.2899 0.3981 0.3304 -0.0091 0.0149 -0.0576 530 ILE B CD1 9281 N N . TYR B 531 ? 0.2992 0.3987 0.3174 0.0149 0.0075 -0.0584 531 TYR B N 9282 C CA . TYR B 531 ? 0.2985 0.3903 0.3113 0.0151 0.0089 -0.0555 531 TYR B CA 9283 C C . TYR B 531 ? 0.3008 0.4032 0.3177 0.0170 0.0101 -0.0589 531 TYR B C 9284 O O . TYR B 531 ? 0.2895 0.4015 0.3081 0.0226 0.0081 -0.0633 531 TYR B O 9285 C CB . TYR B 531 ? 0.3152 0.3944 0.3160 0.0210 0.0061 -0.0534 531 TYR B CB 9286 C CG . TYR B 531 ? 0.3260 0.3949 0.3198 0.0210 0.0071 -0.0501 531 TYR B CG 9287 C CD1 . TYR B 531 ? 0.3235 0.3849 0.3173 0.0147 0.0093 -0.0462 531 TYR B CD1 9288 C CD2 . TYR B 531 ? 0.3357 0.4022 0.3224 0.0278 0.0055 -0.0512 531 TYR B CD2 9289 C CE1 . TYR B 531 ? 0.3228 0.3751 0.3103 0.0148 0.0099 -0.0437 531 TYR B CE1 9290 C CE2 . TYR B 531 ? 0.3411 0.3978 0.3209 0.0278 0.0063 -0.0484 531 TYR B CE2 9291 C CZ . TYR B 531 ? 0.3359 0.3858 0.3165 0.0211 0.0085 -0.0448 531 TYR B CZ 9292 O OH . TYR B 531 ? 0.3300 0.3706 0.3040 0.0213 0.0089 -0.0424 531 TYR B OH 9293 N N . ARG B 532 ? 0.3019 0.4029 0.3204 0.0125 0.0135 -0.0570 532 ARG B N 9294 C CA . ARG B 532 ? 0.3038 0.4133 0.3254 0.0138 0.0154 -0.0596 532 ARG B CA 9295 C C . ARG B 532 ? 0.3073 0.4339 0.3401 0.0116 0.0173 -0.0649 532 ARG B C 9296 O O . ARG B 532 ? 0.3027 0.4379 0.3390 0.0125 0.0194 -0.0677 532 ARG B O 9297 C CB . ARG B 532 ? 0.3094 0.4165 0.3232 0.0225 0.0126 -0.0606 532 ARG B CB 9298 C CG . ARG B 532 ? 0.3121 0.4036 0.3156 0.0231 0.0125 -0.0558 532 ARG B CG 9299 C CD . ARG B 532 ? 0.3180 0.4049 0.3121 0.0318 0.0096 -0.0566 532 ARG B CD 9300 N NE . ARG B 532 ? 0.3209 0.3928 0.3057 0.0313 0.0098 -0.0523 532 ARG B NE 9301 C CZ . ARG B 532 ? 0.3315 0.3927 0.3049 0.0372 0.0074 -0.0513 532 ARG B CZ 9302 N NH1 . ARG B 532 ? 0.3340 0.3969 0.3028 0.0448 0.0044 -0.0540 532 ARG B NH1 9303 N NH2 . ARG B 532 ? 0.3504 0.3988 0.3165 0.0355 0.0079 -0.0476 532 ARG B NH2 9304 N N . SER B 533 ? 0.2976 0.4293 0.3362 0.0086 0.0169 -0.0666 533 SER B N 9305 C CA . SER B 533 ? 0.3051 0.4525 0.3548 0.0049 0.0193 -0.0717 533 SER B CA 9306 C C . SER B 533 ? 0.2986 0.4446 0.3521 -0.0038 0.0248 -0.0699 533 SER B C 9307 O O . SER B 533 ? 0.2942 0.4328 0.3472 -0.0093 0.0259 -0.0669 533 SER B O 9308 C CB . SER B 533 ? 0.3021 0.4561 0.3567 0.0049 0.0169 -0.0747 533 SER B CB 9309 O OG . SER B 533 ? 0.3065 0.4750 0.3722 -0.0001 0.0198 -0.0796 533 SER B OG 9310 N N . THR B 534 ? 0.2965 0.4490 0.3528 -0.0047 0.0281 -0.0718 534 THR B N 9311 C CA . THR B 534 ? 0.3045 0.4549 0.3630 -0.0127 0.0337 -0.0704 534 THR B CA 9312 C C . THR B 534 ? 0.3089 0.4695 0.3769 -0.0193 0.0365 -0.0743 534 THR B C 9313 O O . THR B 534 ? 0.3080 0.4628 0.3760 -0.0265 0.0403 -0.0721 534 THR B O 9314 C CB . THR B 534 ? 0.3148 0.4687 0.3730 -0.0117 0.0370 -0.0714 534 THR B CB 9315 O OG1 . THR B 534 ? 0.3172 0.4877 0.3824 -0.0080 0.0365 -0.0776 534 THR B OG1 9316 C CG2 . THR B 534 ? 0.3126 0.4542 0.3604 -0.0062 0.0346 -0.0670 534 THR B CG2 9317 N N . LYS B 535 ? 0.3158 0.4909 0.3912 -0.0167 0.0344 -0.0800 535 LYS B N 9318 C CA . LYS B 535 ? 0.3316 0.5168 0.4162 -0.0229 0.0364 -0.0843 535 LYS B CA 9319 C C . LYS B 535 ? 0.3156 0.4906 0.3974 -0.0260 0.0348 -0.0809 535 LYS B C 9320 O O . LYS B 535 ? 0.3173 0.4896 0.4011 -0.0337 0.0386 -0.0803 535 LYS B O 9321 C CB . LYS B 535 ? 0.3474 0.5512 0.4406 -0.0186 0.0337 -0.0918 535 LYS B CB 9322 C CG . LYS B 535 ? 0.3775 0.5963 0.4780 -0.0191 0.0373 -0.0972 535 LYS B CG 9323 C CD . LYS B 535 ? 0.4100 0.6494 0.5223 -0.0187 0.0361 -0.1057 535 LYS B CD 9324 C CE . LYS B 535 ? 0.4314 0.6771 0.5422 -0.0074 0.0291 -0.1086 535 LYS B CE 9325 N NZ . LYS B 535 ? 0.4583 0.7084 0.5668 -0.0003 0.0286 -0.1098 535 LYS B NZ 9326 N N . ALA B 536 ? 0.3115 0.4801 0.3878 -0.0199 0.0295 -0.0786 536 ALA B N 9327 C CA . ALA B 536 ? 0.3120 0.4700 0.3847 -0.0224 0.0280 -0.0749 536 ALA B CA 9328 C C . ALA B 536 ? 0.3137 0.4573 0.3805 -0.0275 0.0314 -0.0691 536 ALA B C 9329 O O . ALA B 536 ? 0.3132 0.4520 0.3804 -0.0332 0.0332 -0.0676 536 ALA B O 9330 C CB . ALA B 536 ? 0.3112 0.4632 0.3776 -0.0148 0.0223 -0.0732 536 ALA B CB 9331 N N . GLY B 537 ? 0.3264 0.4636 0.3876 -0.0252 0.0321 -0.0661 537 GLY B N 9332 C CA . GLY B 537 ? 0.3246 0.4487 0.3797 -0.0290 0.0349 -0.0610 537 GLY B CA 9333 C C . GLY B 537 ? 0.3251 0.4503 0.3834 -0.0369 0.0405 -0.0619 537 GLY B C 9334 O O . GLY B 537 ? 0.3237 0.4389 0.3784 -0.0411 0.0420 -0.0586 537 GLY B O 9335 N N . ALA B 538 ? 0.3295 0.4668 0.3944 -0.0388 0.0437 -0.0666 538 ALA B N 9336 C CA . ALA B 538 ? 0.3278 0.4665 0.3956 -0.0468 0.0498 -0.0681 538 ALA B CA 9337 C C . ALA B 538 ? 0.3262 0.4653 0.3975 -0.0521 0.0502 -0.0693 538 ALA B C 9338 O O . ALA B 538 ? 0.3327 0.4635 0.4009 -0.0583 0.0541 -0.0675 538 ALA B O 9339 C CB . ALA B 538 ? 0.3357 0.4888 0.4107 -0.0477 0.0532 -0.0736 538 ALA B CB 9340 N N . LYS B 539 ? 0.3203 0.4682 0.3969 -0.0494 0.0461 -0.0726 539 LYS B N 9341 C CA . LYS B 539 ? 0.3193 0.4681 0.3992 -0.0537 0.0459 -0.0740 539 LYS B CA 9342 C C . LYS B 539 ? 0.3245 0.4574 0.3964 -0.0541 0.0443 -0.0681 539 LYS B C 9343 O O . LYS B 539 ? 0.3171 0.4449 0.3883 -0.0598 0.0466 -0.0676 539 LYS B O 9344 C CB . LYS B 539 ? 0.3357 0.4977 0.4225 -0.0494 0.0412 -0.0790 539 LYS B CB 9345 C CG . LYS B 539 ? 0.3250 0.4886 0.4152 -0.0530 0.0402 -0.0810 539 LYS B CG 9346 C CD . LYS B 539 ? 0.3329 0.5109 0.4301 -0.0482 0.0356 -0.0867 539 LYS B CD 9347 C CE . LYS B 539 ? 0.3313 0.5264 0.4395 -0.0529 0.0386 -0.0944 539 LYS B CE 9348 N NZ . LYS B 539 ? 0.3314 0.5250 0.4422 -0.0615 0.0417 -0.0958 539 LYS B NZ 9349 N N . LEU B 540 ? 0.3061 0.4312 0.3718 -0.0481 0.0405 -0.0640 540 LEU B N 9350 C CA . LEU B 540 ? 0.3053 0.4163 0.3638 -0.0482 0.0391 -0.0586 540 LEU B CA 9351 C C . LEU B 540 ? 0.3096 0.4100 0.3623 -0.0524 0.0434 -0.0552 540 LEU B C 9352 O O . LEU B 540 ? 0.3142 0.4054 0.3630 -0.0555 0.0442 -0.0527 540 LEU B O 9353 C CB . LEU B 540 ? 0.2988 0.4048 0.3525 -0.0413 0.0344 -0.0557 540 LEU B CB 9354 C CG . LEU B 540 ? 0.3011 0.3948 0.3486 -0.0409 0.0324 -0.0509 540 LEU B CG 9355 C CD1 . LEU B 540 ? 0.2817 0.3761 0.3316 -0.0429 0.0312 -0.0518 540 LEU B CD1 9356 C CD2 . LEU B 540 ? 0.2985 0.3883 0.3416 -0.0346 0.0286 -0.0488 540 LEU B CD2 9357 N N . ARG B 541 ? 0.3222 0.4234 0.3738 -0.0521 0.0460 -0.0553 541 ARG B N 9358 C CA . ARG B 541 ? 0.3438 0.4345 0.3889 -0.0554 0.0501 -0.0523 541 ARG B CA 9359 C C . ARG B 541 ? 0.3498 0.4386 0.3954 -0.0628 0.0549 -0.0537 541 ARG B C 9360 O O . ARG B 541 ? 0.3494 0.4260 0.3878 -0.0651 0.0567 -0.0504 541 ARG B O 9361 C CB . ARG B 541 ? 0.3745 0.4675 0.4185 -0.0538 0.0524 -0.0528 541 ARG B CB 9362 C CG . ARG B 541 ? 0.4092 0.4897 0.4447 -0.0558 0.0559 -0.0492 541 ARG B CG 9363 C CD . ARG B 541 ? 0.4507 0.5316 0.4837 -0.0522 0.0565 -0.0487 541 ARG B CD 9364 N NE . ARG B 541 ? 0.4890 0.5832 0.5291 -0.0530 0.0592 -0.0534 541 ARG B NE 9365 C CZ . ARG B 541 ? 0.5136 0.6176 0.5579 -0.0479 0.0563 -0.0557 541 ARG B CZ 9366 N NH1 . ARG B 541 ? 0.5006 0.6015 0.5421 -0.0417 0.0508 -0.0535 541 ARG B NH1 9367 N NH2 . ARG B 541 ? 0.5162 0.6332 0.5673 -0.0488 0.0591 -0.0605 541 ARG B NH2 9368 N N . LYS B 542 ? 0.3624 0.4632 0.4161 -0.0662 0.0568 -0.0588 542 LYS B N 9369 C CA . LYS B 542 ? 0.3803 0.4797 0.4348 -0.0740 0.0617 -0.0608 542 LYS B CA 9370 C C . LYS B 542 ? 0.3739 0.4635 0.4241 -0.0752 0.0599 -0.0582 542 LYS B C 9371 O O . LYS B 542 ? 0.3822 0.4613 0.4263 -0.0800 0.0636 -0.0565 542 LYS B O 9372 C CB . LYS B 542 ? 0.3992 0.5151 0.4646 -0.0773 0.0633 -0.0675 542 LYS B CB 9373 C CG . LYS B 542 ? 0.4489 0.5693 0.5164 -0.0830 0.0702 -0.0707 542 LYS B CG 9374 C CD . LYS B 542 ? 0.4745 0.6086 0.5521 -0.0889 0.0727 -0.0775 542 LYS B CD 9375 C CE . LYS B 542 ? 0.5062 0.6394 0.5834 -0.0974 0.0812 -0.0799 542 LYS B CE 9376 N NZ . LYS B 542 ? 0.5187 0.6633 0.6010 -0.0966 0.0840 -0.0831 542 LYS B NZ 9377 N N . VAL B 543 ? 0.3594 0.4519 0.4120 -0.0706 0.0542 -0.0577 543 VAL B N 9378 C CA . VAL B 543 ? 0.3549 0.4389 0.4037 -0.0709 0.0519 -0.0552 543 VAL B CA 9379 C C . VAL B 543 ? 0.3515 0.4205 0.3903 -0.0694 0.0521 -0.0496 543 VAL B C 9380 O O . VAL B 543 ? 0.3628 0.4217 0.3958 -0.0726 0.0541 -0.0478 543 VAL B O 9381 C CB . VAL B 543 ? 0.3422 0.4320 0.3947 -0.0656 0.0459 -0.0557 543 VAL B CB 9382 C CG1 . VAL B 543 ? 0.3379 0.4180 0.3856 -0.0650 0.0436 -0.0524 543 VAL B CG1 9383 C CG2 . VAL B 543 ? 0.3474 0.4517 0.4093 -0.0669 0.0454 -0.0616 543 VAL B CG2 9384 N N . LEU B 544 ? 0.3394 0.4068 0.3758 -0.0644 0.0500 -0.0472 544 LEU B N 9385 C CA . LEU B 544 ? 0.3323 0.3872 0.3602 -0.0621 0.0490 -0.0425 544 LEU B CA 9386 C C . LEU B 544 ? 0.3473 0.3921 0.3677 -0.0656 0.0538 -0.0410 544 LEU B C 9387 O O . LEU B 544 ? 0.3386 0.3724 0.3519 -0.0656 0.0537 -0.0381 544 LEU B O 9388 C CB . LEU B 544 ? 0.3073 0.3633 0.3346 -0.0563 0.0457 -0.0408 544 LEU B CB 9389 C CG . LEU B 544 ? 0.2954 0.3585 0.3274 -0.0521 0.0409 -0.0418 544 LEU B CG 9390 C CD1 . LEU B 544 ? 0.2811 0.3431 0.3109 -0.0470 0.0384 -0.0401 544 LEU B CD1 9391 C CD2 . LEU B 544 ? 0.2958 0.3546 0.3268 -0.0520 0.0383 -0.0402 544 LEU B CD2 9392 N N . ARG B 545 ? 0.3756 0.4241 0.3972 -0.0683 0.0581 -0.0431 545 ARG B N 9393 C CA . ARG B 545 ? 0.4239 0.4619 0.4373 -0.0716 0.0633 -0.0418 545 ARG B CA 9394 C C . ARG B 545 ? 0.4451 0.4761 0.4548 -0.0773 0.0668 -0.0422 545 ARG B C 9395 O O . ARG B 545 ? 0.4889 0.5067 0.4885 -0.0788 0.0700 -0.0400 545 ARG B O 9396 C CB . ARG B 545 ? 0.4480 0.4924 0.4640 -0.0736 0.0677 -0.0443 545 ARG B CB 9397 C CG . ARG B 545 ? 0.4629 0.5116 0.4802 -0.0677 0.0646 -0.0434 545 ARG B CG 9398 C CD . ARG B 545 ? 0.4824 0.5344 0.4997 -0.0690 0.0692 -0.0451 545 ARG B CD 9399 N NE . ARG B 545 ? 0.5257 0.5643 0.5327 -0.0716 0.0741 -0.0428 545 ARG B NE 9400 C CZ . ARG B 545 ? 0.5461 0.5732 0.5438 -0.0678 0.0727 -0.0389 545 ARG B CZ 9401 N NH1 . ARG B 545 ? 0.5308 0.5582 0.5287 -0.0617 0.0668 -0.0369 545 ARG B NH1 9402 N NH2 . ARG B 545 ? 0.5863 0.6010 0.5739 -0.0700 0.0774 -0.0373 545 ARG B NH2 9403 N N . ALA B 546 ? 0.4418 0.4807 0.4587 -0.0799 0.0660 -0.0452 546 ALA B N 9404 C CA . ALA B 546 ? 0.4411 0.4742 0.4551 -0.0858 0.0694 -0.0464 546 ALA B CA 9405 C C . ALA B 546 ? 0.4435 0.4631 0.4486 -0.0839 0.0673 -0.0425 546 ALA B C 9406 O O . ALA B 546 ? 0.4455 0.4561 0.4445 -0.0883 0.0706 -0.0426 546 ALA B O 9407 C CB . ALA B 546 ? 0.4412 0.4874 0.4658 -0.0887 0.0684 -0.0510 546 ALA B CB 9408 N N . GLY B 547 ? 0.4309 0.4491 0.4350 -0.0776 0.0619 -0.0395 547 GLY B N 9409 C CA . GLY B 547 ? 0.4212 0.4294 0.4187 -0.0751 0.0592 -0.0364 547 GLY B CA 9410 C C . GLY B 547 ? 0.4213 0.4291 0.4200 -0.0787 0.0596 -0.0381 547 GLY B C 9411 O O . GLY B 547 ? 0.4113 0.4304 0.4192 -0.0801 0.0583 -0.0411 547 GLY B O 9412 N N . SER B 548 ? 0.4396 0.4342 0.4286 -0.0799 0.0612 -0.0362 548 SER B N 9413 C CA . SER B 548 ? 0.4608 0.4529 0.4492 -0.0838 0.0622 -0.0378 548 SER B CA 9414 C C . SER B 548 ? 0.4890 0.4731 0.4711 -0.0908 0.0690 -0.0395 548 SER B C 9415 O O . SER B 548 ? 0.5068 0.4816 0.4825 -0.0936 0.0706 -0.0395 548 SER B O 9416 C CB . SER B 548 ? 0.4592 0.4419 0.4407 -0.0798 0.0589 -0.0348 548 SER B CB 9417 O OG . SER B 548 ? 0.4707 0.4396 0.4402 -0.0779 0.0605 -0.0319 548 SER B OG 9418 N N . SER B 549 ? 0.4924 0.4797 0.4761 -0.0938 0.0732 -0.0410 549 SER B N 9419 C CA . SER B 549 ? 0.5307 0.5103 0.5083 -0.1011 0.0805 -0.0429 549 SER B CA 9420 C C . SER B 549 ? 0.5470 0.5344 0.5320 -0.1083 0.0830 -0.0477 549 SER B C 9421 O O . SER B 549 ? 0.5758 0.5537 0.5539 -0.1148 0.0886 -0.0490 549 SER B O 9422 C CB . SER B 549 ? 0.5267 0.5081 0.5039 -0.1022 0.0845 -0.0433 549 SER B CB 9423 O OG . SER B 549 ? 0.5156 0.5154 0.5068 -0.1027 0.0835 -0.0468 549 SER B OG 9424 N N . ARG B 550 ? 0.5249 0.5289 0.5231 -0.1071 0.0789 -0.0505 550 ARG B N 9425 C CA . ARG B 550 ? 0.5286 0.5422 0.5353 -0.1130 0.0801 -0.0556 550 ARG B CA 9426 C C . ARG B 550 ? 0.5061 0.5246 0.5176 -0.1093 0.0738 -0.0557 550 ARG B C 9427 O O . ARG B 550 ? 0.4999 0.5211 0.5131 -0.1021 0.0682 -0.0529 550 ARG B O 9428 C CB . ARG B 550 ? 0.5432 0.5742 0.5621 -0.1156 0.0818 -0.0604 550 ARG B CB 9429 C CG . ARG B 550 ? 0.5813 0.6080 0.5961 -0.1213 0.0894 -0.0615 550 ARG B CG 9430 C CD . ARG B 550 ? 0.5953 0.6382 0.6206 -0.1205 0.0900 -0.0646 550 ARG B CD 9431 N NE . ARG B 550 ? 0.6177 0.6791 0.6570 -0.1237 0.0892 -0.0710 550 ARG B NE 9432 C CZ . ARG B 550 ? 0.6101 0.6878 0.6604 -0.1185 0.0840 -0.0732 550 ARG B CZ 9433 N NH1 . ARG B 550 ? 0.5994 0.6770 0.6484 -0.1103 0.0794 -0.0693 550 ARG B NH1 9434 N NH2 . ARG B 550 ? 0.6009 0.6950 0.6631 -0.1213 0.0833 -0.0795 550 ARG B NH2 9435 N N . PRO B 551 ? 0.4960 0.5153 0.5093 -0.1145 0.0748 -0.0590 551 PRO B N 9436 C CA . PRO B 551 ? 0.4677 0.4912 0.4850 -0.1109 0.0690 -0.0591 551 PRO B CA 9437 C C . PRO B 551 ? 0.4385 0.4794 0.4681 -0.1060 0.0638 -0.0611 551 PRO B C 9438 O O . PRO B 551 ? 0.4335 0.4870 0.4716 -0.1080 0.0653 -0.0650 551 PRO B O 9439 C CB . PRO B 551 ? 0.4758 0.4990 0.4941 -0.1185 0.0720 -0.0635 551 PRO B CB 9440 C CG . PRO B 551 ? 0.4936 0.5181 0.5127 -0.1263 0.0791 -0.0669 551 PRO B CG 9441 C CD . PRO B 551 ? 0.4978 0.5130 0.5087 -0.1239 0.0816 -0.0626 551 PRO B CD 9442 N N . TRP B 552 ? 0.3994 0.4406 0.4292 -0.0994 0.0580 -0.0585 552 TRP B N 9443 C CA . TRP B 552 ? 0.3716 0.4255 0.4097 -0.0935 0.0530 -0.0592 552 TRP B CA 9444 C C . TRP B 552 ? 0.3757 0.4456 0.4250 -0.0953 0.0518 -0.0653 552 TRP B C 9445 O O . TRP B 552 ? 0.3609 0.4426 0.4173 -0.0918 0.0496 -0.0672 552 TRP B O 9446 C CB . TRP B 552 ? 0.3515 0.4008 0.3864 -0.0865 0.0477 -0.0551 552 TRP B CB 9447 C CG . TRP B 552 ? 0.3367 0.3833 0.3705 -0.0868 0.0455 -0.0556 552 TRP B CG 9448 C CD1 . TRP B 552 ? 0.3434 0.3771 0.3686 -0.0878 0.0463 -0.0530 552 TRP B CD1 9449 C CD2 . TRP B 552 ? 0.3295 0.3863 0.3704 -0.0854 0.0418 -0.0591 552 TRP B CD2 9450 N NE1 . TRP B 552 ? 0.3419 0.3771 0.3686 -0.0874 0.0436 -0.0545 552 TRP B NE1 9451 C CE2 . TRP B 552 ? 0.3376 0.3869 0.3740 -0.0860 0.0408 -0.0582 552 TRP B CE2 9452 C CE3 . TRP B 552 ? 0.3243 0.3957 0.3745 -0.0831 0.0391 -0.0629 552 TRP B CE3 9453 C CZ2 . TRP B 552 ? 0.3366 0.3922 0.3773 -0.0847 0.0372 -0.0610 552 TRP B CZ2 9454 C CZ3 . TRP B 552 ? 0.3213 0.3990 0.3756 -0.0815 0.0354 -0.0658 552 TRP B CZ3 9455 C CH2 . TRP B 552 ? 0.3363 0.4060 0.3859 -0.0824 0.0346 -0.0648 552 TRP B CH2 9456 N N . GLN B 553 ? 0.3894 0.4595 0.4399 -0.1007 0.0533 -0.0688 553 GLN B N 9457 C CA . GLN B 553 ? 0.3935 0.4792 0.4548 -0.1029 0.0520 -0.0754 553 GLN B CA 9458 C C . GLN B 553 ? 0.3993 0.4964 0.4679 -0.1067 0.0559 -0.0798 553 GLN B C 9459 O O . GLN B 553 ? 0.3951 0.5083 0.4738 -0.1049 0.0534 -0.0847 553 GLN B O 9460 C CB . GLN B 553 ? 0.3915 0.4741 0.4520 -0.1088 0.0533 -0.0785 553 GLN B CB 9461 C CG . GLN B 553 ? 0.3888 0.4623 0.4433 -0.1049 0.0493 -0.0752 553 GLN B CG 9462 C CD . GLN B 553 ? 0.3934 0.4479 0.4352 -0.1062 0.0520 -0.0698 553 GLN B CD 9463 O OE1 . GLN B 553 ? 0.4021 0.4494 0.4387 -0.1081 0.0561 -0.0674 553 GLN B OE1 9464 N NE2 . GLN B 553 ? 0.3964 0.4427 0.4329 -0.1048 0.0498 -0.0681 553 GLN B NE2 9465 N N . GLU B 554 ? 0.4101 0.4988 0.4731 -0.1115 0.0618 -0.0782 554 GLU B N 9466 C CA . GLU B 554 ? 0.4336 0.5315 0.5023 -0.1154 0.0664 -0.0818 554 GLU B CA 9467 C C . GLU B 554 ? 0.4078 0.5122 0.4792 -0.1083 0.0637 -0.0799 554 GLU B C 9468 O O . GLU B 554 ? 0.3929 0.5127 0.4737 -0.1078 0.0636 -0.0845 554 GLU B O 9469 C CB . GLU B 554 ? 0.4782 0.5625 0.5379 -0.1223 0.0739 -0.0800 554 GLU B CB 9470 C CG . GLU B 554 ? 0.5363 0.6167 0.5948 -0.1317 0.0787 -0.0838 554 GLU B CG 9471 C CD . GLU B 554 ? 0.5927 0.6596 0.6417 -0.1385 0.0868 -0.0824 554 GLU B CD 9472 O OE1 . GLU B 554 ? 0.5896 0.6588 0.6390 -0.1384 0.0899 -0.0819 554 GLU B OE1 9473 O OE2 . GLU B 554 ? 0.6282 0.6813 0.6684 -0.1439 0.0901 -0.0818 554 GLU B OE2 9474 N N . VAL B 555 ? 0.3759 0.4684 0.4387 -0.1028 0.0616 -0.0734 555 VAL B N 9475 C CA . VAL B 555 ? 0.3611 0.4572 0.4248 -0.0959 0.0589 -0.0710 555 VAL B CA 9476 C C . VAL B 555 ? 0.3452 0.4553 0.4173 -0.0900 0.0529 -0.0739 555 VAL B C 9477 O O . VAL B 555 ? 0.3352 0.4560 0.4128 -0.0867 0.0519 -0.0760 555 VAL B O 9478 C CB . VAL B 555 ? 0.3542 0.4353 0.4075 -0.0911 0.0570 -0.0640 555 VAL B CB 9479 C CG1 . VAL B 555 ? 0.3558 0.4402 0.4097 -0.0849 0.0547 -0.0619 555 VAL B CG1 9480 C CG2 . VAL B 555 ? 0.3656 0.4317 0.4090 -0.0959 0.0624 -0.0612 555 VAL B CG2 9481 N N . LEU B 556 ? 0.3454 0.4545 0.4176 -0.0883 0.0490 -0.0740 556 LEU B N 9482 C CA . LEU B 556 ? 0.3484 0.4685 0.4267 -0.0823 0.0432 -0.0765 556 LEU B CA 9483 C C . LEU B 556 ? 0.3686 0.5063 0.4578 -0.0847 0.0437 -0.0842 556 LEU B C 9484 O O . LEU B 556 ? 0.3731 0.5220 0.4674 -0.0791 0.0403 -0.0867 556 LEU B O 9485 C CB . LEU B 556 ? 0.3257 0.4396 0.4006 -0.0806 0.0395 -0.0749 556 LEU B CB 9486 C CG . LEU B 556 ? 0.3205 0.4417 0.3986 -0.0736 0.0333 -0.0764 556 LEU B CG 9487 C CD1 . LEU B 556 ? 0.3143 0.4348 0.3900 -0.0660 0.0302 -0.0731 556 LEU B CD1 9488 C CD2 . LEU B 556 ? 0.3150 0.4284 0.3889 -0.0730 0.0308 -0.0746 556 LEU B CD2 9489 N N . LYS B 557 ? 0.3992 0.5390 0.4913 -0.0930 0.0481 -0.0881 557 LYS B N 9490 C CA . LYS B 557 ? 0.4269 0.5844 0.5303 -0.0967 0.0496 -0.0962 557 LYS B CA 9491 C C . LYS B 557 ? 0.4363 0.6030 0.5440 -0.0954 0.0517 -0.0978 557 LYS B C 9492 O O . LYS B 557 ? 0.4331 0.6158 0.5493 -0.0913 0.0487 -0.1028 557 LYS B O 9493 C CB . LYS B 557 ? 0.4485 0.6039 0.5528 -0.1072 0.0552 -0.0996 557 LYS B CB 9494 C CG . LYS B 557 ? 0.4633 0.6377 0.5802 -0.1121 0.0568 -0.1088 557 LYS B CG 9495 C CD . LYS B 557 ? 0.4757 0.6555 0.5969 -0.1133 0.0532 -0.1132 557 LYS B CD 9496 C CE . LYS B 557 ? 0.4943 0.6973 0.6295 -0.1135 0.0514 -0.1226 557 LYS B CE 9497 N NZ . LYS B 557 ? 0.4937 0.7060 0.6359 -0.1222 0.0585 -0.1280 557 LYS B NZ 9498 N N . ASP B 558 ? 0.4464 0.6026 0.5477 -0.0983 0.0567 -0.0937 558 ASP B N 9499 C CA . ASP B 558 ? 0.4537 0.6157 0.5570 -0.0968 0.0592 -0.0941 558 ASP B CA 9500 C C . ASP B 558 ? 0.4443 0.6115 0.5484 -0.0866 0.0531 -0.0927 558 ASP B C 9501 O O . ASP B 558 ? 0.4227 0.6017 0.5324 -0.0840 0.0533 -0.0959 558 ASP B O 9502 C CB . ASP B 558 ? 0.4861 0.6318 0.5792 -0.0999 0.0643 -0.0884 558 ASP B CB 9503 C CG . ASP B 558 ? 0.5350 0.6766 0.6270 -0.1104 0.0721 -0.0906 558 ASP B CG 9504 O OD1 . ASP B 558 ? 0.5685 0.7186 0.6673 -0.1162 0.0737 -0.0964 558 ASP B OD1 9505 O OD2 . ASP B 558 ? 0.5695 0.6985 0.6529 -0.1128 0.0769 -0.0867 558 ASP B OD2 9506 N N . MET B 559 ? 0.4260 0.5840 0.5240 -0.0808 0.0481 -0.0879 559 MET B N 9507 C CA . MET B 559 ? 0.4245 0.5840 0.5209 -0.0714 0.0428 -0.0858 559 MET B CA 9508 C C . MET B 559 ? 0.4227 0.5947 0.5252 -0.0659 0.0370 -0.0905 559 MET B C 9509 O O . MET B 559 ? 0.4240 0.6055 0.5297 -0.0597 0.0343 -0.0928 559 MET B O 9510 C CB . MET B 559 ? 0.4406 0.5832 0.5267 -0.0681 0.0408 -0.0782 559 MET B CB 9511 C CG . MET B 559 ? 0.4522 0.5931 0.5347 -0.0598 0.0370 -0.0752 559 MET B CG 9512 S SD . MET B 559 ? 0.4852 0.6118 0.5590 -0.0552 0.0327 -0.0689 559 MET B SD 9513 C CE . MET B 559 ? 0.4601 0.5829 0.5289 -0.0482 0.0306 -0.0653 559 MET B CE 9514 N N . VAL B 560 ? 0.4032 0.5746 0.5067 -0.0676 0.0351 -0.0919 560 VAL B N 9515 C CA . VAL B 560 ? 0.4192 0.5985 0.5257 -0.0612 0.0290 -0.0950 560 VAL B CA 9516 C C . VAL B 560 ? 0.4184 0.6141 0.5354 -0.0644 0.0287 -0.1035 560 VAL B C 9517 O O . VAL B 560 ? 0.4265 0.6321 0.5471 -0.0583 0.0235 -0.1076 560 VAL B O 9518 C CB . VAL B 560 ? 0.4288 0.5946 0.5272 -0.0581 0.0255 -0.0898 560 VAL B CB 9519 C CG1 . VAL B 560 ? 0.4087 0.5723 0.5083 -0.0641 0.0265 -0.0914 560 VAL B CG1 9520 C CG2 . VAL B 560 ? 0.4314 0.6006 0.5285 -0.0486 0.0192 -0.0905 560 VAL B CG2 9521 N N . GLY B 561 ? 0.4315 0.6299 0.5528 -0.0738 0.0344 -0.1064 561 GLY B N 9522 C CA . GLY B 561 ? 0.4356 0.6496 0.5675 -0.0786 0.0349 -0.1149 561 GLY B CA 9523 C C . GLY B 561 ? 0.4545 0.6627 0.5850 -0.0828 0.0341 -0.1154 561 GLY B C 9524 O O . GLY B 561 ? 0.4657 0.6856 0.6043 -0.0872 0.0343 -0.1224 561 GLY B O 9525 N N . LEU B 562 ? 0.4608 0.6513 0.5809 -0.0814 0.0332 -0.1081 562 LEU B N 9526 C CA . LEU B 562 ? 0.4794 0.6624 0.5964 -0.0839 0.0319 -0.1075 562 LEU B CA 9527 C C . LEU B 562 ? 0.4669 0.6302 0.5735 -0.0879 0.0356 -0.1002 562 LEU B C 9528 O O . LEU B 562 ? 0.4719 0.6261 0.5722 -0.0853 0.0367 -0.0944 562 LEU B O 9529 C CB . LEU B 562 ? 0.5098 0.6932 0.6245 -0.0745 0.0245 -0.1067 562 LEU B CB 9530 C CG . LEU B 562 ? 0.5360 0.7154 0.6488 -0.0749 0.0216 -0.1074 562 LEU B CG 9531 C CD1 . LEU B 562 ? 0.5502 0.7464 0.6734 -0.0774 0.0201 -0.1167 562 LEU B CD1 9532 C CD2 . LEU B 562 ? 0.5454 0.7182 0.6514 -0.0652 0.0158 -0.1032 562 LEU B CD2 9533 N N . ASP B 563 ? 0.4487 0.6052 0.5529 -0.0939 0.0374 -0.1007 563 ASP B N 9534 C CA . ASP B 563 ? 0.4346 0.5725 0.5285 -0.0978 0.0411 -0.0946 563 ASP B CA 9535 C C . ASP B 563 ? 0.4242 0.5503 0.5104 -0.0934 0.0371 -0.0898 563 ASP B C 9536 O O . ASP B 563 ? 0.4260 0.5378 0.5041 -0.0968 0.0396 -0.0860 563 ASP B O 9537 C CB . ASP B 563 ? 0.4701 0.6057 0.5645 -0.1086 0.0475 -0.0979 563 ASP B CB 9538 C CG . ASP B 563 ? 0.4916 0.6314 0.5897 -0.1123 0.0460 -0.1030 563 ASP B CG 9539 O OD1 . ASP B 563 ? 0.4945 0.6449 0.5983 -0.1070 0.0402 -0.1064 563 ASP B OD1 9540 O OD2 . ASP B 563 ? 0.5046 0.6361 0.5990 -0.1205 0.0507 -0.1038 563 ASP B OD2 9541 N N . ALA B 564 ? 0.3888 0.5206 0.4769 -0.0857 0.0311 -0.0901 564 ALA B N 9542 C CA . ALA B 564 ? 0.3832 0.5046 0.4642 -0.0811 0.0275 -0.0858 564 ALA B CA 9543 C C . ALA B 564 ? 0.3645 0.4863 0.4436 -0.0718 0.0229 -0.0826 564 ALA B C 9544 O O . ALA B 564 ? 0.3387 0.4713 0.4229 -0.0680 0.0211 -0.0853 564 ALA B O 9545 C CB . ALA B 564 ? 0.3816 0.5068 0.4653 -0.0826 0.0251 -0.0902 564 ALA B CB 9546 N N . LEU B 565 ? 0.3586 0.4686 0.4299 -0.0683 0.0211 -0.0771 565 LEU B N 9547 C CA . LEU B 565 ? 0.3559 0.4647 0.4242 -0.0599 0.0168 -0.0744 565 LEU B CA 9548 C C . LEU B 565 ? 0.3615 0.4805 0.4342 -0.0557 0.0122 -0.0794 565 LEU B C 9549 O O . LEU B 565 ? 0.3587 0.4806 0.4337 -0.0584 0.0115 -0.0831 565 LEU B O 9550 C CB . LEU B 565 ? 0.3452 0.4401 0.4051 -0.0580 0.0162 -0.0684 565 LEU B CB 9551 C CG . LEU B 565 ? 0.3417 0.4255 0.3960 -0.0610 0.0199 -0.0633 565 LEU B CG 9552 C CD1 . LEU B 565 ? 0.3569 0.4294 0.4040 -0.0583 0.0187 -0.0584 565 LEU B CD1 9553 C CD2 . LEU B 565 ? 0.3420 0.4272 0.3967 -0.0590 0.0210 -0.0614 565 LEU B CD2 9554 N N . ASP B 566 ? 0.3645 0.4884 0.4375 -0.0487 0.0091 -0.0797 566 ASP B N 9555 C CA . ASP B 566 ? 0.3744 0.5083 0.4507 -0.0435 0.0044 -0.0849 566 ASP B CA 9556 C C . ASP B 566 ? 0.3692 0.4988 0.4393 -0.0346 0.0009 -0.0818 566 ASP B C 9557 O O . ASP B 566 ? 0.3548 0.4825 0.4229 -0.0323 0.0018 -0.0791 566 ASP B O 9558 C CB . ASP B 566 ? 0.4047 0.5547 0.4907 -0.0453 0.0049 -0.0917 566 ASP B CB 9559 C CG . ASP B 566 ? 0.4351 0.5972 0.5250 -0.0391 -0.0002 -0.0979 566 ASP B CG 9560 O OD1 . ASP B 566 ? 0.4628 0.6208 0.5482 -0.0345 -0.0040 -0.0976 566 ASP B OD1 9561 O OD2 . ASP B 566 ? 0.4759 0.6519 0.5733 -0.0387 -0.0005 -0.1034 566 ASP B OD2 9562 N N . ALA B 567 ? 0.3481 0.4754 0.4144 -0.0297 -0.0028 -0.0823 567 ALA B N 9563 C CA . ALA B 567 ? 0.3473 0.4683 0.4059 -0.0215 -0.0059 -0.0794 567 ALA B CA 9564 C C . ALA B 567 ? 0.3366 0.4675 0.3968 -0.0145 -0.0094 -0.0839 567 ALA B C 9565 O O . ALA B 567 ? 0.3382 0.4633 0.3912 -0.0075 -0.0116 -0.0816 567 ALA B O 9566 C CB . ALA B 567 ? 0.3378 0.4513 0.3905 -0.0189 -0.0082 -0.0781 567 ALA B CB 9567 N N . GLN B 568 ? 0.3376 0.4831 0.4070 -0.0164 -0.0100 -0.0905 568 GLN B N 9568 C CA . GLN B 568 ? 0.3443 0.5010 0.4159 -0.0091 -0.0140 -0.0959 568 GLN B CA 9569 C C . GLN B 568 ? 0.3199 0.4742 0.3874 -0.0043 -0.0137 -0.0933 568 GLN B C 9570 O O . GLN B 568 ? 0.3168 0.4695 0.3781 0.0044 -0.0175 -0.0938 568 GLN B O 9571 C CB . GLN B 568 ? 0.3806 0.5551 0.4642 -0.0129 -0.0141 -0.1041 568 GLN B CB 9572 C CG . GLN B 568 ? 0.4229 0.6100 0.5088 -0.0046 -0.0197 -0.1111 568 GLN B CG 9573 C CD . GLN B 568 ? 0.4630 0.6452 0.5426 0.0011 -0.0244 -0.1118 568 GLN B CD 9574 O OE1 . GLN B 568 ? 0.4767 0.6547 0.5564 -0.0035 -0.0237 -0.1112 568 GLN B OE1 9575 N NE2 . GLN B 568 ? 0.4999 0.6815 0.5728 0.0116 -0.0290 -0.1129 568 GLN B NE2 9576 N N . PRO B 569 ? 0.3090 0.4621 0.3791 -0.0097 -0.0093 -0.0904 569 PRO B N 9577 C CA . PRO B 569 ? 0.2998 0.4494 0.3653 -0.0050 -0.0092 -0.0877 569 PRO B CA 9578 C C . PRO B 569 ? 0.2943 0.4284 0.3475 0.0005 -0.0107 -0.0819 569 PRO B C 9579 O O . PRO B 569 ? 0.2913 0.4239 0.3387 0.0082 -0.0132 -0.0821 569 PRO B O 9580 C CB . PRO B 569 ? 0.3013 0.4493 0.3703 -0.0127 -0.0039 -0.0848 569 PRO B CB 9581 C CG . PRO B 569 ? 0.2968 0.4547 0.3754 -0.0201 -0.0018 -0.0894 569 PRO B CG 9582 C CD . PRO B 569 ? 0.3004 0.4559 0.3773 -0.0196 -0.0044 -0.0904 569 PRO B CD 9583 N N . LEU B 570 ? 0.2846 0.4075 0.3338 -0.0031 -0.0089 -0.0771 570 LEU B N 9584 C CA . LEU B 570 ? 0.2861 0.3948 0.3243 0.0012 -0.0098 -0.0720 570 LEU B CA 9585 C C . LEU B 570 ? 0.2945 0.4033 0.3269 0.0097 -0.0145 -0.0749 570 LEU B C 9586 O O . LEU B 570 ? 0.2998 0.4017 0.3236 0.0162 -0.0159 -0.0733 570 LEU B O 9587 C CB . LEU B 570 ? 0.2738 0.3726 0.3099 -0.0041 -0.0073 -0.0674 570 LEU B CB 9588 C CG . LEU B 570 ? 0.2764 0.3607 0.3022 -0.0013 -0.0070 -0.0618 570 LEU B CG 9589 C CD1 . LEU B 570 ? 0.2793 0.3562 0.3052 -0.0077 -0.0035 -0.0572 570 LEU B CD1 9590 C CD2 . LEU B 570 ? 0.2837 0.3639 0.3028 0.0045 -0.0102 -0.0628 570 LEU B CD2 9591 N N . LEU B 571 ? 0.3069 0.4229 0.3435 0.0098 -0.0168 -0.0794 571 LEU B N 9592 C CA . LEU B 571 ? 0.3189 0.4361 0.3503 0.0181 -0.0217 -0.0830 571 LEU B CA 9593 C C . LEU B 571 ? 0.3314 0.4557 0.3616 0.0259 -0.0248 -0.0869 571 LEU B C 9594 O O . LEU B 571 ? 0.3333 0.4505 0.3531 0.0345 -0.0277 -0.0865 571 LEU B O 9595 C CB . LEU B 571 ? 0.3221 0.4488 0.3607 0.0158 -0.0236 -0.0882 571 LEU B CB 9596 C CG . LEU B 571 ? 0.3250 0.4432 0.3619 0.0106 -0.0219 -0.0849 571 LEU B CG 9597 C CD1 . LEU B 571 ? 0.3255 0.4542 0.3700 0.0079 -0.0238 -0.0909 571 LEU B CD1 9598 C CD2 . LEU B 571 ? 0.3266 0.4305 0.3509 0.0165 -0.0232 -0.0808 571 LEU B CD2 9599 N N . LYS B 572 ? 0.3371 0.4748 0.3774 0.0230 -0.0238 -0.0907 572 LYS B N 9600 C CA . LYS B 572 ? 0.3546 0.5012 0.3953 0.0300 -0.0265 -0.0950 572 LYS B CA 9601 C C . LYS B 572 ? 0.3454 0.4793 0.3752 0.0346 -0.0257 -0.0898 572 LYS B C 9602 O O . LYS B 572 ? 0.3448 0.4776 0.3672 0.0439 -0.0291 -0.0917 572 LYS B O 9603 C CB . LYS B 572 ? 0.3786 0.5418 0.4330 0.0243 -0.0245 -0.0996 572 LYS B CB 9604 C CG . LYS B 572 ? 0.4373 0.6136 0.4945 0.0315 -0.0276 -0.1058 572 LYS B CG 9605 C CD . LYS B 572 ? 0.4595 0.6504 0.5298 0.0246 -0.0242 -0.1092 572 LYS B CD 9606 C CE . LYS B 572 ? 0.4989 0.7000 0.5704 0.0316 -0.0261 -0.1133 572 LYS B CE 9607 N NZ . LYS B 572 ? 0.5047 0.7237 0.5907 0.0251 -0.0233 -0.1188 572 LYS B NZ 9608 N N . TYR B 573 ? 0.3259 0.4498 0.3542 0.0282 -0.0212 -0.0835 573 TYR B N 9609 C CA . TYR B 573 ? 0.3137 0.4252 0.3325 0.0309 -0.0198 -0.0784 573 TYR B CA 9610 C C . TYR B 573 ? 0.3285 0.4259 0.3331 0.0382 -0.0221 -0.0760 573 TYR B C 9611 O O . TYR B 573 ? 0.3401 0.4312 0.3353 0.0452 -0.0236 -0.0755 573 TYR B O 9612 C CB . TYR B 573 ? 0.2999 0.4040 0.3205 0.0221 -0.0148 -0.0726 573 TYR B CB 9613 C CG . TYR B 573 ? 0.2947 0.3862 0.3066 0.0234 -0.0130 -0.0673 573 TYR B CG 9614 C CD1 . TYR B 573 ? 0.2995 0.3758 0.3000 0.0258 -0.0129 -0.0630 573 TYR B CD1 9615 C CD2 . TYR B 573 ? 0.2906 0.3853 0.3056 0.0217 -0.0110 -0.0669 573 TYR B CD2 9616 C CE1 . TYR B 573 ? 0.3017 0.3666 0.2944 0.0263 -0.0110 -0.0587 573 TYR B CE1 9617 C CE2 . TYR B 573 ? 0.2917 0.3748 0.2986 0.0226 -0.0095 -0.0624 573 TYR B CE2 9618 C CZ . TYR B 573 ? 0.3022 0.3706 0.2982 0.0247 -0.0095 -0.0584 573 TYR B CZ 9619 O OH . TYR B 573 ? 0.3107 0.3675 0.2987 0.0250 -0.0078 -0.0544 573 TYR B OH 9620 N N . PHE B 574 ? 0.3200 0.4121 0.3226 0.0365 -0.0223 -0.0747 574 PHE B N 9621 C CA . PHE B 574 ? 0.3431 0.4203 0.3320 0.0421 -0.0235 -0.0718 574 PHE B CA 9622 C C . PHE B 574 ? 0.3621 0.4414 0.3452 0.0513 -0.0286 -0.0766 574 PHE B C 9623 O O . PHE B 574 ? 0.3797 0.4456 0.3497 0.0568 -0.0296 -0.0744 574 PHE B O 9624 C CB . PHE B 574 ? 0.3250 0.3930 0.3131 0.0355 -0.0203 -0.0670 574 PHE B CB 9625 C CG . PHE B 574 ? 0.3177 0.3774 0.3051 0.0294 -0.0158 -0.0613 574 PHE B CG 9626 C CD1 . PHE B 574 ? 0.3215 0.3676 0.2974 0.0324 -0.0145 -0.0574 574 PHE B CD1 9627 C CD2 . PHE B 574 ? 0.3042 0.3694 0.3018 0.0209 -0.0127 -0.0600 574 PHE B CD2 9628 C CE1 . PHE B 574 ? 0.3128 0.3523 0.2887 0.0268 -0.0106 -0.0527 574 PHE B CE1 9629 C CE2 . PHE B 574 ? 0.3016 0.3597 0.2985 0.0159 -0.0090 -0.0551 574 PHE B CE2 9630 C CZ . PHE B 574 ? 0.3073 0.3532 0.2939 0.0188 -0.0081 -0.0516 574 PHE B CZ 9631 N N . GLN B 575 ? 0.3758 0.4720 0.3686 0.0529 -0.0318 -0.0834 575 GLN B N 9632 C CA . GLN B 575 ? 0.3988 0.5003 0.3881 0.0618 -0.0374 -0.0893 575 GLN B CA 9633 C C . GLN B 575 ? 0.4077 0.4945 0.3792 0.0724 -0.0400 -0.0879 575 GLN B C 9634 O O . GLN B 575 ? 0.4072 0.4883 0.3718 0.0766 -0.0425 -0.0886 575 GLN B O 9635 C CB . GLN B 575 ? 0.4252 0.5461 0.4247 0.0647 -0.0404 -0.0967 575 GLN B CB 9636 C CG . GLN B 575 ? 0.4670 0.6052 0.4829 0.0574 -0.0402 -0.1017 575 GLN B CG 9637 C CD . GLN B 575 ? 0.4949 0.6532 0.5213 0.0599 -0.0426 -0.1095 575 GLN B CD 9638 O OE1 . GLN B 575 ? 0.5226 0.6824 0.5471 0.0637 -0.0425 -0.1096 575 GLN B OE1 9639 N NE2 . GLN B 575 ? 0.5069 0.6808 0.5445 0.0576 -0.0447 -0.1162 575 GLN B NE2 9640 N N . LEU B 576 ? 0.3954 0.4755 0.3589 0.0769 -0.0396 -0.0861 576 LEU B N 9641 C CA . LEU B 576 ? 0.4198 0.4855 0.3651 0.0877 -0.0421 -0.0854 576 LEU B CA 9642 C C . LEU B 576 ? 0.4251 0.4700 0.3570 0.0866 -0.0392 -0.0790 576 LEU B C 9643 O O . LEU B 576 ? 0.4245 0.4588 0.3427 0.0947 -0.0417 -0.0794 576 LEU B O 9644 C CB . LEU B 576 ? 0.4331 0.4958 0.3728 0.0919 -0.0418 -0.0847 576 LEU B CB 9645 C CG . LEU B 576 ? 0.4381 0.5184 0.3851 0.0978 -0.0458 -0.0918 576 LEU B CG 9646 C CD1 . LEU B 576 ? 0.4306 0.5070 0.3736 0.0992 -0.0440 -0.0897 576 LEU B CD1 9647 C CD2 . LEU B 576 ? 0.4503 0.5325 0.3886 0.1104 -0.0521 -0.0976 576 LEU B CD2 9648 N N . VAL B 577 ? 0.4100 0.4491 0.3457 0.0768 -0.0338 -0.0733 577 VAL B N 9649 C CA . VAL B 577 ? 0.4167 0.4370 0.3409 0.0749 -0.0304 -0.0673 577 VAL B CA 9650 C C . VAL B 577 ? 0.4199 0.4414 0.3473 0.0722 -0.0307 -0.0676 577 VAL B C 9651 O O . VAL B 577 ? 0.4284 0.4357 0.3442 0.0741 -0.0296 -0.0647 577 VAL B O 9652 C CB . VAL B 577 ? 0.3999 0.4132 0.3257 0.0665 -0.0248 -0.0615 577 VAL B CB 9653 C CG1 . VAL B 577 ? 0.3837 0.4076 0.3256 0.0559 -0.0222 -0.0605 577 VAL B CG1 9654 C CG2 . VAL B 577 ? 0.4151 0.4077 0.3258 0.0666 -0.0215 -0.0562 577 VAL B CG2 9655 N N . THR B 578 ? 0.4066 0.4449 0.3493 0.0677 -0.0321 -0.0713 578 THR B N 9656 C CA . THR B 578 ? 0.4269 0.4682 0.3734 0.0657 -0.0332 -0.0727 578 THR B CA 9657 C C . THR B 578 ? 0.4406 0.4782 0.3760 0.0764 -0.0381 -0.0764 578 THR B C 9658 O O . THR B 578 ? 0.4279 0.4551 0.3550 0.0779 -0.0379 -0.0744 578 THR B O 9659 C CB . THR B 578 ? 0.4110 0.4714 0.3754 0.0594 -0.0339 -0.0769 578 THR B CB 9660 O OG1 . THR B 578 ? 0.4010 0.4627 0.3738 0.0499 -0.0292 -0.0731 578 THR B OG1 9661 C CG2 . THR B 578 ? 0.4152 0.4782 0.3828 0.0576 -0.0353 -0.0787 578 THR B CG2 9662 N N . GLN B 579 ? 0.4480 0.4942 0.3830 0.0842 -0.0426 -0.0818 579 GLN B N 9663 C CA . GLN B 579 ? 0.4815 0.5248 0.4052 0.0959 -0.0480 -0.0860 579 GLN B CA 9664 C C . GLN B 579 ? 0.4916 0.5115 0.3939 0.1022 -0.0465 -0.0811 579 GLN B C 9665 O O . GLN B 579 ? 0.4916 0.5010 0.3828 0.1068 -0.0477 -0.0806 579 GLN B O 9666 C CB . GLN B 579 ? 0.5076 0.5662 0.4363 0.1029 -0.0530 -0.0931 579 GLN B CB 9667 C CG . GLN B 579 ? 0.5754 0.6318 0.4917 0.1166 -0.0593 -0.0982 579 GLN B CG 9668 C CD . GLN B 579 ? 0.6049 0.6710 0.5266 0.1182 -0.0635 -0.1035 579 GLN B CD 9669 O OE1 . GLN B 579 ? 0.6270 0.7005 0.5612 0.1088 -0.0615 -0.1032 579 GLN B OE1 9670 N NE2 . GLN B 579 ? 0.6296 0.6949 0.5410 0.1306 -0.0695 -0.1085 579 GLN B NE2 9671 N N . TRP B 580 ? 0.4773 0.4883 0.3733 0.1020 -0.0436 -0.0774 580 TRP B N 9672 C CA . TRP B 580 ? 0.4995 0.4873 0.3751 0.1065 -0.0411 -0.0726 580 TRP B CA 9673 C C . TRP B 580 ? 0.5065 0.4808 0.3769 0.1008 -0.0367 -0.0672 580 TRP B C 9674 O O . TRP B 580 ? 0.5156 0.4738 0.3691 0.1070 -0.0368 -0.0658 580 TRP B O 9675 C CB . TRP B 580 ? 0.4871 0.4687 0.3596 0.1044 -0.0378 -0.0692 580 TRP B CB 9676 C CG . TRP B 580 ? 0.5028 0.4608 0.3534 0.1099 -0.0356 -0.0653 580 TRP B CG 9677 C CD1 . TRP B 580 ? 0.5193 0.4682 0.3535 0.1216 -0.0390 -0.0675 580 TRP B CD1 9678 C CD2 . TRP B 580 ? 0.5100 0.4503 0.3522 0.1035 -0.0293 -0.0586 580 TRP B CD2 9679 N NE1 . TRP B 580 ? 0.5337 0.4589 0.3489 0.1228 -0.0349 -0.0624 580 TRP B NE1 9680 C CE2 . TRP B 580 ? 0.5378 0.4579 0.3581 0.1114 -0.0288 -0.0571 580 TRP B CE2 9681 C CE3 . TRP B 580 ? 0.4974 0.4370 0.3482 0.0920 -0.0240 -0.0541 580 TRP B CE3 9682 C CZ2 . TRP B 580 ? 0.5518 0.4512 0.3590 0.1074 -0.0227 -0.0513 580 TRP B CZ2 9683 C CZ3 . TRP B 580 ? 0.5212 0.4418 0.3601 0.0884 -0.0184 -0.0486 580 TRP B CZ3 9684 C CH2 . TRP B 580 ? 0.5415 0.4423 0.3590 0.0957 -0.0176 -0.0473 580 TRP B CH2 9685 N N . LEU B 581 ? 0.4886 0.4693 0.3728 0.0895 -0.0328 -0.0644 581 LEU B N 9686 C CA . LEU B 581 ? 0.4830 0.4529 0.3641 0.0835 -0.0283 -0.0595 581 LEU B CA 9687 C C . LEU B 581 ? 0.4954 0.4645 0.3729 0.0876 -0.0312 -0.0617 581 LEU B C 9688 O O . LEU B 581 ? 0.4972 0.4505 0.3617 0.0891 -0.0288 -0.0585 581 LEU B O 9689 C CB . LEU B 581 ? 0.4553 0.4334 0.3522 0.0714 -0.0242 -0.0566 581 LEU B CB 9690 C CG . LEU B 581 ? 0.4474 0.4198 0.3441 0.0663 -0.0198 -0.0525 581 LEU B CG 9691 C CD1 . LEU B 581 ? 0.4198 0.4034 0.3332 0.0558 -0.0170 -0.0510 581 LEU B CD1 9692 C CD2 . LEU B 581 ? 0.4669 0.4191 0.3484 0.0661 -0.0153 -0.0475 581 LEU B CD2 9693 N N . GLN B 582 ? 0.4905 0.4765 0.3794 0.0890 -0.0360 -0.0674 582 GLN B N 9694 C CA . GLN B 582 ? 0.5228 0.5096 0.4085 0.0938 -0.0397 -0.0706 582 GLN B CA 9695 C C . GLN B 582 ? 0.5409 0.5125 0.4059 0.1057 -0.0422 -0.0712 582 GLN B C 9696 O O . GLN B 582 ? 0.5284 0.4865 0.3818 0.1079 -0.0410 -0.0689 582 GLN B O 9697 C CB . GLN B 582 ? 0.5243 0.5325 0.4250 0.0942 -0.0449 -0.0777 582 GLN B CB 9698 C CG . GLN B 582 ? 0.5461 0.5668 0.4651 0.0824 -0.0422 -0.0771 582 GLN B CG 9699 C CD . GLN B 582 ? 0.5643 0.6050 0.4975 0.0819 -0.0468 -0.0843 582 GLN B CD 9700 O OE1 . GLN B 582 ? 0.5783 0.6232 0.5178 0.0776 -0.0470 -0.0854 582 GLN B OE1 9701 N NE2 . GLN B 582 ? 0.5740 0.6269 0.5124 0.0859 -0.0501 -0.0895 582 GLN B NE2 9702 N N . GLU B 583 ? 0.5405 0.5134 0.4001 0.1135 -0.0454 -0.0742 583 GLU B N 9703 C CA . GLU B 583 ? 0.5887 0.5467 0.4273 0.1259 -0.0483 -0.0753 583 GLU B CA 9704 C C . GLU B 583 ? 0.5945 0.5276 0.4150 0.1252 -0.0424 -0.0684 583 GLU B C 9705 O O . GLU B 583 ? 0.6233 0.5424 0.4282 0.1315 -0.0430 -0.0678 583 GLU B O 9706 C CB . GLU B 583 ? 0.6162 0.5796 0.4524 0.1338 -0.0521 -0.0793 583 GLU B CB 9707 C CG . GLU B 583 ? 0.6422 0.6298 0.4937 0.1370 -0.0586 -0.0874 583 GLU B CG 9708 C CD . GLU B 583 ? 0.6763 0.6729 0.5304 0.1416 -0.0611 -0.0908 583 GLU B CD 9709 O OE1 . GLU B 583 ? 0.6827 0.6670 0.5279 0.1414 -0.0576 -0.0864 583 GLU B OE1 9710 O OE2 . GLU B 583 ? 0.6824 0.6987 0.5476 0.1454 -0.0665 -0.0982 583 GLU B OE2 9711 N N . GLN B 584 ? 0.5724 0.5001 0.3950 0.1172 -0.0366 -0.0633 584 GLN B N 9712 C CA . GLN B 584 ? 0.5868 0.4918 0.3938 0.1148 -0.0302 -0.0569 584 GLN B CA 9713 C C . GLN B 584 ? 0.5727 0.4710 0.3777 0.1109 -0.0273 -0.0542 584 GLN B C 9714 O O . GLN B 584 ? 0.5588 0.4375 0.3454 0.1146 -0.0246 -0.0515 584 GLN B O 9715 C CB . GLN B 584 ? 0.5860 0.4900 0.3995 0.1052 -0.0246 -0.0526 584 GLN B CB 9716 C CG . GLN B 584 ? 0.6062 0.5146 0.4202 0.1087 -0.0267 -0.0545 584 GLN B CG 9717 C CD . GLN B 584 ? 0.6381 0.5325 0.4310 0.1215 -0.0298 -0.0564 584 GLN B CD 9718 O OE1 . GLN B 584 ? 0.6589 0.5312 0.4327 0.1236 -0.0260 -0.0526 584 GLN B OE1 9719 N NE2 . GLN B 584 ? 0.6437 0.5505 0.4393 0.1304 -0.0367 -0.0625 584 GLN B NE2 9720 N N . ASN B 585 ? 0.5461 0.4603 0.3695 0.1033 -0.0275 -0.0551 585 ASN B N 9721 C CA . ASN B 585 ? 0.5491 0.4597 0.3732 0.0992 -0.0251 -0.0529 585 ASN B CA 9722 C C . ASN B 585 ? 0.5743 0.4808 0.3880 0.1086 -0.0297 -0.0563 585 ASN B C 9723 O O . ASN B 585 ? 0.5830 0.4755 0.3853 0.1093 -0.0268 -0.0534 585 ASN B O 9724 C CB . ASN B 585 ? 0.5174 0.4459 0.3633 0.0892 -0.0246 -0.0533 585 ASN B CB 9725 C CG . ASN B 585 ? 0.4957 0.4267 0.3510 0.0796 -0.0196 -0.0495 585 ASN B CG 9726 O OD1 . ASN B 585 ? 0.4987 0.4158 0.3445 0.0776 -0.0147 -0.0452 585 ASN B OD1 9727 N ND2 . ASN B 585 ? 0.4673 0.4157 0.3409 0.0734 -0.0207 -0.0513 585 ASN B ND2 9728 N N . GLN B 586 ? 0.5954 0.5148 0.4135 0.1157 -0.0368 -0.0626 586 GLN B N 9729 C CA . GLN B 586 ? 0.6376 0.5536 0.4448 0.1264 -0.0422 -0.0667 586 GLN B CA 9730 C C . GLN B 586 ? 0.6576 0.5497 0.4389 0.1358 -0.0411 -0.0645 586 GLN B C 9731 O O . GLN B 586 ? 0.6518 0.5308 0.4203 0.1393 -0.0402 -0.0631 586 GLN B O 9732 C CB . GLN B 586 ? 0.6493 0.5847 0.4664 0.1324 -0.0501 -0.0745 586 GLN B CB 9733 C CG . GLN B 586 ? 0.6803 0.6362 0.5185 0.1252 -0.0522 -0.0779 586 GLN B CG 9734 C CD . GLN B 586 ? 0.7010 0.6791 0.5552 0.1256 -0.0570 -0.0844 586 GLN B CD 9735 O OE1 . GLN B 586 ? 0.7437 0.7242 0.5920 0.1349 -0.0615 -0.0885 586 GLN B OE1 9736 N NE2 . GLN B 586 ? 0.6943 0.6887 0.5683 0.1155 -0.0560 -0.0854 586 GLN B NE2 9737 N N . GLN B 587 ? 0.6658 0.5514 0.4388 0.1397 -0.0407 -0.0640 587 GLN B N 9738 C CA . GLN B 587 ? 0.7049 0.5659 0.4519 0.1481 -0.0388 -0.0615 587 GLN B CA 9739 C C . GLN B 587 ? 0.7020 0.5430 0.4380 0.1417 -0.0305 -0.0546 587 GLN B C 9740 O O . GLN B 587 ? 0.7074 0.5275 0.4215 0.1485 -0.0290 -0.0530 587 GLN B O 9741 C CB . GLN B 587 ? 0.7341 0.5924 0.4764 0.1511 -0.0390 -0.0616 587 GLN B CB 9742 C CG . GLN B 587 ? 0.7819 0.6538 0.5266 0.1616 -0.0474 -0.0688 587 GLN B CG 9743 C CD . GLN B 587 ? 0.8132 0.6869 0.5583 0.1626 -0.0473 -0.0689 587 GLN B CD 9744 O OE1 . GLN B 587 ? 0.8353 0.6947 0.5729 0.1576 -0.0412 -0.0636 587 GLN B OE1 9745 N NE2 . GLN B 587 ? 0.8207 0.7123 0.5748 0.1688 -0.0540 -0.0754 587 GLN B NE2 9746 N N . ASN B 588 ? 0.6667 0.5140 0.4177 0.1288 -0.0251 -0.0508 588 ASN B N 9747 C CA . ASN B 588 ? 0.6618 0.4941 0.4061 0.1216 -0.0171 -0.0449 588 ASN B CA 9748 C C . ASN B 588 ? 0.6447 0.4794 0.3927 0.1196 -0.0169 -0.0448 588 ASN B C 9749 O O . ASN B 588 ? 0.6448 0.4676 0.3870 0.1144 -0.0105 -0.0404 588 ASN B O 9750 C CB . ASN B 588 ? 0.6556 0.4930 0.4131 0.1093 -0.0114 -0.0412 588 ASN B CB 9751 C CG . ASN B 588 ? 0.6799 0.5030 0.4247 0.1102 -0.0080 -0.0388 588 ASN B CG 9752 O OD1 . ASN B 588 ? 0.7089 0.5105 0.4315 0.1160 -0.0057 -0.0372 588 ASN B OD1 9753 N ND2 . ASN B 588 ? 0.6578 0.4919 0.4158 0.1044 -0.0076 -0.0387 588 ASN B ND2 9754 N N . GLY B 589 ? 0.6182 0.4685 0.3759 0.1237 -0.0238 -0.0499 589 GLY B N 9755 C CA . GLY B 589 ? 0.6122 0.4661 0.3741 0.1223 -0.0245 -0.0504 589 GLY B CA 9756 C C . GLY B 589 ? 0.5965 0.4570 0.3736 0.1094 -0.0189 -0.0466 589 GLY B C 9757 O O . GLY B 589 ? 0.5946 0.4474 0.3675 0.1069 -0.0153 -0.0439 589 GLY B O 9758 N N . GLU B 590 ? 0.5629 0.4373 0.3569 0.1018 -0.0182 -0.0464 590 GLU B N 9759 C CA . GLU B 590 ? 0.5471 0.4290 0.3562 0.0899 -0.0134 -0.0432 590 GLU B CA 9760 C C . GLU B 590 ? 0.5411 0.4365 0.3633 0.0872 -0.0163 -0.0455 590 GLU B C 9761 O O . GLU B 590 ? 0.5386 0.4445 0.3653 0.0922 -0.0227 -0.0506 590 GLU B O 9762 C CB . GLU B 590 ? 0.5230 0.4158 0.3457 0.0834 -0.0124 -0.0427 590 GLU B CB 9763 C CG . GLU B 590 ? 0.5225 0.4030 0.3339 0.0848 -0.0094 -0.0404 590 GLU B CG 9764 C CD . GLU B 590 ? 0.5344 0.3985 0.3362 0.0797 -0.0016 -0.0350 590 GLU B CD 9765 O OE1 . GLU B 590 ? 0.5262 0.3880 0.3292 0.0755 0.0016 -0.0329 590 GLU B OE1 9766 O OE2 . GLU B 590 ? 0.5456 0.3990 0.3382 0.0797 0.0014 -0.0330 590 GLU B OE2 9767 N N . VAL B 591 ? 0.5338 0.4286 0.3618 0.0793 -0.0114 -0.0420 591 VAL B N 9768 C CA . VAL B 591 ? 0.5298 0.4376 0.3718 0.0746 -0.0131 -0.0434 591 VAL B CA 9769 C C . VAL B 591 ? 0.5078 0.4297 0.3677 0.0659 -0.0120 -0.0430 591 VAL B C 9770 O O . VAL B 591 ? 0.5217 0.4398 0.3830 0.0600 -0.0068 -0.0391 591 VAL B O 9771 C CB . VAL B 591 ? 0.5286 0.4272 0.3658 0.0716 -0.0084 -0.0398 591 VAL B CB 9772 C CG1 . VAL B 591 ? 0.5140 0.4253 0.3657 0.0661 -0.0096 -0.0409 591 VAL B CG1 9773 C CG2 . VAL B 591 ? 0.5556 0.4393 0.3740 0.0806 -0.0094 -0.0402 591 VAL B CG2 9774 N N . LEU B 592 ? 0.4865 0.4242 0.3594 0.0651 -0.0168 -0.0473 592 LEU B N 9775 C CA . LEU B 592 ? 0.4655 0.4162 0.3548 0.0568 -0.0157 -0.0471 592 LEU B CA 9776 C C . LEU B 592 ? 0.4529 0.4064 0.3502 0.0496 -0.0129 -0.0449 592 LEU B C 9777 O O . LEU B 592 ? 0.4359 0.3915 0.3340 0.0507 -0.0151 -0.0467 592 LEU B O 9778 C CB . LEU B 592 ? 0.4661 0.4324 0.3659 0.0583 -0.0214 -0.0527 592 LEU B CB 9779 C CG . LEU B 592 ? 0.4848 0.4519 0.3788 0.0662 -0.0253 -0.0561 592 LEU B CG 9780 C CD1 . LEU B 592 ? 0.4716 0.4569 0.3790 0.0659 -0.0302 -0.0620 592 LEU B CD1 9781 C CD2 . LEU B 592 ? 0.4896 0.4495 0.3787 0.0654 -0.0218 -0.0526 592 LEU B CD2 9782 N N . GLY B 593 ? 0.4180 0.3713 0.3208 0.0425 -0.0080 -0.0411 593 GLY B N 9783 C CA . GLY B 593 ? 0.3882 0.3434 0.2975 0.0363 -0.0051 -0.0389 593 GLY B CA 9784 C C . GLY B 593 ? 0.3822 0.3248 0.2821 0.0356 0.0000 -0.0346 593 GLY B C 9785 O O . GLY B 593 ? 0.3875 0.3194 0.2764 0.0387 0.0022 -0.0329 593 GLY B O 9786 N N . TRP B 594 ? 0.3591 0.3028 0.2634 0.0313 0.0024 -0.0329 594 TRP B N 9787 C CA . TRP B 594 ? 0.3561 0.2903 0.2541 0.0295 0.0079 -0.0291 594 TRP B CA 9788 C C . TRP B 594 ? 0.3542 0.2867 0.2503 0.0304 0.0079 -0.0291 594 TRP B C 9789 O O . TRP B 594 ? 0.3540 0.2902 0.2569 0.0255 0.0102 -0.0276 594 TRP B O 9790 C CB . TRP B 594 ? 0.3449 0.2832 0.2514 0.0222 0.0121 -0.0266 594 TRP B CB 9791 C CG . TRP B 594 ? 0.3284 0.2798 0.2491 0.0177 0.0098 -0.0280 594 TRP B CG 9792 C CD1 . TRP B 594 ? 0.3192 0.2759 0.2472 0.0140 0.0102 -0.0277 594 TRP B CD1 9793 C CD2 . TRP B 594 ? 0.3236 0.2831 0.2514 0.0168 0.0069 -0.0300 594 TRP B CD2 9794 N NE1 . TRP B 594 ? 0.3146 0.2814 0.2532 0.0106 0.0080 -0.0292 594 TRP B NE1 9795 C CE2 . TRP B 594 ? 0.3127 0.2819 0.2519 0.0121 0.0061 -0.0307 594 TRP B CE2 9796 C CE3 . TRP B 594 ? 0.3249 0.2841 0.2500 0.0198 0.0051 -0.0313 594 TRP B CE3 9797 C CZ2 . TRP B 594 ? 0.3003 0.2787 0.2483 0.0097 0.0039 -0.0326 594 TRP B CZ2 9798 C CZ3 . TRP B 594 ? 0.3146 0.2841 0.2494 0.0177 0.0027 -0.0333 594 TRP B CZ3 9799 C CH2 . TRP B 594 ? 0.3076 0.2865 0.2537 0.0124 0.0023 -0.0339 594 TRP B CH2 9800 N N . PRO B 595 ? 0.3613 0.2881 0.2479 0.0371 0.0048 -0.0310 595 PRO B N 9801 C CA . PRO B 595 ? 0.3724 0.2976 0.2568 0.0386 0.0041 -0.0315 595 PRO B CA 9802 C C . PRO B 595 ? 0.3880 0.3051 0.2673 0.0364 0.0101 -0.0277 595 PRO B C 9803 O O . PRO B 595 ? 0.3874 0.3058 0.2687 0.0354 0.0103 -0.0275 595 PRO B O 9804 C CB . PRO B 595 ? 0.3765 0.2958 0.2498 0.0470 -0.0002 -0.0343 595 PRO B CB 9805 C CG . PRO B 595 ? 0.3818 0.2948 0.2472 0.0504 0.0002 -0.0340 595 PRO B CG 9806 C CD . PRO B 595 ? 0.3680 0.2900 0.2453 0.0442 0.0014 -0.0333 595 PRO B CD 9807 N N . GLU B 596 ? 0.4042 0.3132 0.2771 0.0354 0.0150 -0.0250 596 GLU B N 9808 C CA . GLU B 596 ? 0.4153 0.3192 0.2862 0.0317 0.0215 -0.0218 596 GLU B CA 9809 C C . GLU B 596 ? 0.3994 0.3136 0.2842 0.0242 0.0238 -0.0206 596 GLU B C 9810 O O . GLU B 596 ? 0.3921 0.3046 0.2776 0.0203 0.0282 -0.0188 596 GLU B O 9811 C CB . GLU B 596 ? 0.4330 0.3226 0.2898 0.0337 0.0263 -0.0197 596 GLU B CB 9812 C CG . GLU B 596 ? 0.4708 0.3486 0.3122 0.0415 0.0248 -0.0204 596 GLU B CG 9813 C CD . GLU B 596 ? 0.4940 0.3555 0.3193 0.0439 0.0298 -0.0184 596 GLU B CD 9814 O OE1 . GLU B 596 ? 0.4871 0.3449 0.3120 0.0385 0.0366 -0.0158 596 GLU B OE1 9815 O OE2 . GLU B 596 ? 0.5250 0.3769 0.3372 0.0513 0.0271 -0.0196 596 GLU B OE2 9816 N N . TYR B 597 ? 0.3810 0.3053 0.2760 0.0223 0.0206 -0.0220 597 TYR B N 9817 C CA . TYR B 597 ? 0.3722 0.3066 0.2800 0.0163 0.0213 -0.0216 597 TYR B CA 9818 C C . TYR B 597 ? 0.3866 0.3208 0.2966 0.0122 0.0270 -0.0191 597 TYR B C 9819 O O . TYR B 597 ? 0.3782 0.3195 0.2973 0.0075 0.0283 -0.0186 597 TYR B O 9820 C CB . TYR B 597 ? 0.3478 0.2907 0.2635 0.0158 0.0167 -0.0238 597 TYR B CB 9821 C CG . TYR B 597 ? 0.3427 0.2825 0.2544 0.0181 0.0164 -0.0239 597 TYR B CG 9822 C CD1 . TYR B 597 ? 0.3385 0.2793 0.2528 0.0155 0.0197 -0.0222 597 TYR B CD1 9823 C CD2 . TYR B 597 ? 0.3405 0.2766 0.2455 0.0234 0.0125 -0.0261 597 TYR B CD2 9824 C CE1 . TYR B 597 ? 0.3340 0.2715 0.2440 0.0180 0.0196 -0.0223 597 TYR B CE1 9825 C CE2 . TYR B 597 ? 0.3486 0.2812 0.2492 0.0257 0.0122 -0.0262 597 TYR B CE2 9826 C CZ . TYR B 597 ? 0.3455 0.2785 0.2484 0.0229 0.0159 -0.0242 597 TYR B CZ 9827 O OH . TYR B 597 ? 0.3488 0.2781 0.2469 0.0255 0.0157 -0.0243 597 TYR B OH 9828 N N . GLN B 598 ? 0.4090 0.3355 0.3107 0.0142 0.0303 -0.0180 598 GLN B N 9829 C CA . GLN B 598 ? 0.4203 0.3468 0.3234 0.0107 0.0360 -0.0162 598 GLN B CA 9830 C C . GLN B 598 ? 0.4277 0.3490 0.3271 0.0080 0.0414 -0.0147 598 GLN B C 9831 O O . GLN B 598 ? 0.4318 0.3558 0.3351 0.0038 0.0462 -0.0138 598 GLN B O 9832 C CB . GLN B 598 ? 0.4525 0.3726 0.3476 0.0140 0.0377 -0.0157 598 GLN B CB 9833 C CG . GLN B 598 ? 0.4563 0.3828 0.3574 0.0140 0.0360 -0.0162 598 GLN B CG 9834 C CD . GLN B 598 ? 0.4793 0.3995 0.3726 0.0165 0.0393 -0.0154 598 GLN B CD 9835 O OE1 . GLN B 598 ? 0.4991 0.4171 0.3906 0.0144 0.0452 -0.0140 598 GLN B OE1 9836 N NE2 . GLN B 598 ? 0.4743 0.3917 0.3630 0.0208 0.0356 -0.0164 598 GLN B NE2 9837 N N . TRP B 599 ? 0.4250 0.3384 0.3161 0.0105 0.0408 -0.0147 599 TRP B N 9838 C CA . TRP B 599 ? 0.4282 0.3338 0.3130 0.0082 0.0462 -0.0133 599 TRP B CA 9839 C C . TRP B 599 ? 0.4198 0.3334 0.3152 0.0017 0.0485 -0.0131 599 TRP B C 9840 O O . TRP B 599 ? 0.4008 0.3231 0.3053 0.0004 0.0446 -0.0140 599 TRP B O 9841 C CB . TRP B 599 ? 0.4293 0.3242 0.3021 0.0129 0.0444 -0.0136 599 TRP B CB 9842 C CG . TRP B 599 ? 0.4434 0.3278 0.3074 0.0108 0.0502 -0.0121 599 TRP B CG 9843 C CD1 . TRP B 599 ? 0.4530 0.3241 0.3039 0.0117 0.0557 -0.0107 599 TRP B CD1 9844 C CD2 . TRP B 599 ? 0.4366 0.3219 0.3036 0.0070 0.0515 -0.0119 599 TRP B CD2 9845 N NE1 . TRP B 599 ? 0.4650 0.3283 0.3102 0.0084 0.0606 -0.0098 599 TRP B NE1 9846 C CE2 . TRP B 599 ? 0.4607 0.3325 0.3157 0.0056 0.0579 -0.0105 599 TRP B CE2 9847 C CE3 . TRP B 599 ? 0.4309 0.3265 0.3090 0.0046 0.0480 -0.0128 599 TRP B CE3 9848 C CZ2 . TRP B 599 ? 0.4606 0.3289 0.3145 0.0017 0.0607 -0.0100 599 TRP B CZ2 9849 C CZ3 . TRP B 599 ? 0.4344 0.3268 0.3115 0.0012 0.0506 -0.0123 599 TRP B CZ3 9850 C CH2 . TRP B 599 ? 0.4454 0.3243 0.3104 -0.0002 0.0568 -0.0110 599 TRP B CH2 9851 N N . HIS B 600 ? 0.4213 0.3318 0.3151 -0.0023 0.0550 -0.0121 600 HIS B N 9852 C CA . HIS B 600 ? 0.4233 0.3392 0.3248 -0.0085 0.0581 -0.0121 600 HIS B CA 9853 C C . HIS B 600 ? 0.4405 0.3442 0.3313 -0.0106 0.0644 -0.0111 600 HIS B C 9854 O O . HIS B 600 ? 0.4497 0.3436 0.3300 -0.0090 0.0683 -0.0103 600 HIS B O 9855 C CB . HIS B 600 ? 0.4175 0.3447 0.3303 -0.0126 0.0603 -0.0126 600 HIS B CB 9856 C CG . HIS B 600 ? 0.4201 0.3589 0.3437 -0.0116 0.0547 -0.0135 600 HIS B CG 9857 N ND1 . HIS B 600 ? 0.4202 0.3594 0.3425 -0.0073 0.0510 -0.0138 600 HIS B ND1 9858 C CD2 . HIS B 600 ? 0.4015 0.3509 0.3365 -0.0145 0.0523 -0.0143 600 HIS B CD2 9859 C CE1 . HIS B 600 ? 0.4088 0.3579 0.3409 -0.0079 0.0469 -0.0146 600 HIS B CE1 9860 N NE2 . HIS B 600 ? 0.4010 0.3563 0.3407 -0.0120 0.0476 -0.0149 600 HIS B NE2 9861 N N . PRO B 601 ? 0.4380 0.3415 0.3306 -0.0144 0.0657 -0.0112 601 PRO B N 9862 C CA . PRO B 601 ? 0.4548 0.3460 0.3369 -0.0173 0.0722 -0.0104 601 PRO B CA 9863 C C . PRO B 601 ? 0.4646 0.3595 0.3514 -0.0235 0.0792 -0.0107 601 PRO B C 9864 O O . PRO B 601 ? 0.4604 0.3696 0.3611 -0.0264 0.0783 -0.0119 601 PRO B O 9865 C CB . PRO B 601 ? 0.4530 0.3452 0.3380 -0.0197 0.0707 -0.0108 601 PRO B CB 9866 C CG . PRO B 601 ? 0.4342 0.3432 0.3356 -0.0212 0.0659 -0.0119 601 PRO B CG 9867 C CD . PRO B 601 ? 0.4215 0.3357 0.3256 -0.0165 0.0616 -0.0121 601 PRO B CD 9868 N N . PRO B 602 ? 0.4912 0.3732 0.3662 -0.0256 0.0863 -0.0100 602 PRO B N 9869 C CA . PRO B 602 ? 0.5014 0.3882 0.3819 -0.0323 0.0933 -0.0109 602 PRO B CA 9870 C C . PRO B 602 ? 0.5098 0.4021 0.3982 -0.0394 0.0957 -0.0122 602 PRO B C 9871 O O . PRO B 602 ? 0.5221 0.4107 0.4083 -0.0389 0.0928 -0.0119 602 PRO B O 9872 C CB . PRO B 602 ? 0.5158 0.3848 0.3789 -0.0318 0.1002 -0.0096 602 PRO B CB 9873 C CG . PRO B 602 ? 0.5247 0.3788 0.3739 -0.0278 0.0980 -0.0084 602 PRO B CG 9874 C CD . PRO B 602 ? 0.5124 0.3749 0.3683 -0.0221 0.0884 -0.0086 602 PRO B CD 9875 N N . LEU B 603 ? 0.5186 0.4201 0.4162 -0.0458 0.1008 -0.0140 603 LEU B N 9876 C CA . LEU B 603 ? 0.5314 0.4379 0.4360 -0.0532 0.1040 -0.0157 603 LEU B CA 9877 C C . LEU B 603 ? 0.5677 0.4562 0.4574 -0.0566 0.1103 -0.0150 603 LEU B C 9878 O O . LEU B 603 ? 0.5926 0.4677 0.4690 -0.0558 0.1156 -0.0138 603 LEU B O 9879 C CB . LEU B 603 ? 0.5354 0.4565 0.4532 -0.0589 0.1081 -0.0184 603 LEU B CB 9880 C CG . LEU B 603 ? 0.5266 0.4669 0.4607 -0.0569 0.1021 -0.0198 603 LEU B CG 9881 C CD1 . LEU B 603 ? 0.5366 0.4897 0.4810 -0.0612 0.1068 -0.0226 603 LEU B CD1 9882 C CD2 . LEU B 603 ? 0.5090 0.4570 0.4520 -0.0583 0.0971 -0.0207 603 LEU B CD2 9883 N N . PRO B 604 ? 0.5770 0.4641 0.4678 -0.0603 0.1100 -0.0156 604 PRO B N 9884 C CA . PRO B 604 ? 0.6167 0.4862 0.4930 -0.0642 0.1166 -0.0151 604 PRO B CA 9885 C C . PRO B 604 ? 0.6654 0.5344 0.5420 -0.0722 0.1262 -0.0168 604 PRO B C 9886 O O . PRO B 604 ? 0.6441 0.5298 0.5353 -0.0754 0.1272 -0.0191 604 PRO B O 9887 C CB . PRO B 604 ? 0.6024 0.4753 0.4843 -0.0673 0.1138 -0.0161 604 PRO B CB 9888 C CG . PRO B 604 ? 0.5606 0.4493 0.4561 -0.0628 0.1049 -0.0163 604 PRO B CG 9889 C CD . PRO B 604 ? 0.5559 0.4571 0.4608 -0.0614 0.1043 -0.0170 604 PRO B CD 9890 N N . ASP B 605 ? 0.7525 0.6024 0.6128 -0.0754 0.1334 -0.0161 605 ASP B N 9891 C CA . ASP B 605 ? 0.8394 0.6846 0.6958 -0.0826 0.1438 -0.0174 605 ASP B CA 9892 C C . ASP B 605 ? 0.8437 0.7103 0.7200 -0.0904 0.1469 -0.0213 605 ASP B C 9893 O O . ASP B 605 ? 0.8616 0.7384 0.7450 -0.0895 0.1479 -0.0221 605 ASP B O 9894 C CB . ASP B 605 ? 0.9035 0.7263 0.7417 -0.0872 0.1510 -0.0167 605 ASP B CB 9895 C CG . ASP B 605 ? 0.9659 0.7650 0.7805 -0.0804 0.1528 -0.0133 605 ASP B CG 9896 O OD1 . ASP B 605 ? 0.9807 0.7811 0.7936 -0.0740 0.1506 -0.0120 605 ASP B OD1 9897 O OD2 . ASP B 605 ? 1.0000 0.7784 0.7969 -0.0811 0.1563 -0.0121 605 ASP B OD2 9898 N N . ASN B 606 ? 0.8459 0.7192 0.7309 -0.0976 0.1481 -0.0239 606 ASN B N 9899 C CA . ASN B 606 ? 0.8464 0.7399 0.7498 -0.1052 0.1512 -0.0284 606 ASN B CA 9900 C C . ASN B 606 ? 0.8188 0.7323 0.7405 -0.1041 0.1429 -0.0303 606 ASN B C 9901 O O . ASN B 606 ? 0.8207 0.7439 0.7527 -0.1110 0.1445 -0.0338 606 ASN B O 9902 C CB . ASN B 606 ? 0.8767 0.7628 0.7758 -0.1162 0.1613 -0.0310 606 ASN B CB 9903 C CG . ASN B 606 ? 0.9074 0.7823 0.7954 -0.1195 0.1714 -0.0308 606 ASN B CG 9904 O OD1 . ASN B 606 ? 0.8908 0.7711 0.7809 -0.1154 0.1714 -0.0302 606 ASN B OD1 9905 N ND2 . ASN B 606 ? 0.9323 0.7908 0.8079 -0.1272 0.1803 -0.0314 606 ASN B ND2 9906 N N . TYR B 607 ? 0.7830 0.7023 0.7083 -0.0953 0.1343 -0.0282 607 TYR B N 9907 C CA . TYR B 607 ? 0.7394 0.6750 0.6794 -0.0930 0.1260 -0.0294 607 TYR B CA 9908 C C . TYR B 607 ? 0.7302 0.6881 0.6886 -0.0958 0.1260 -0.0333 607 TYR B C 9909 O O . TYR B 607 ? 0.7396 0.7026 0.7000 -0.0939 0.1279 -0.0335 607 TYR B O 9910 C CB . TYR B 607 ? 0.7107 0.6437 0.6470 -0.0831 0.1176 -0.0259 607 TYR B CB 9911 C CG . TYR B 607 ? 0.6716 0.6177 0.6200 -0.0803 0.1092 -0.0265 607 TYR B CG 9912 C CD1 . TYR B 607 ? 0.6634 0.6055 0.6104 -0.0811 0.1063 -0.0262 607 TYR B CD1 9913 C CD2 . TYR B 607 ? 0.6504 0.6122 0.6108 -0.0764 0.1043 -0.0273 607 TYR B CD2 9914 C CE1 . TYR B 607 ? 0.6358 0.5895 0.5933 -0.0785 0.0990 -0.0267 607 TYR B CE1 9915 C CE2 . TYR B 607 ? 0.6183 0.5908 0.5885 -0.0738 0.0970 -0.0277 607 TYR B CE2 9916 C CZ . TYR B 607 ? 0.6143 0.5828 0.5831 -0.0749 0.0945 -0.0274 607 TYR B CZ 9917 O OH . TYR B 607 ? 0.5767 0.5553 0.5546 -0.0723 0.0877 -0.0279 607 TYR B OH 9918 N N . PRO B 608 ? 0.7242 0.6958 0.6958 -0.0995 0.1235 -0.0365 608 PRO B N 9919 C CA . PRO B 608 ? 0.7416 0.7101 0.7130 -0.1010 0.1201 -0.0365 608 PRO B CA 9920 C C . PRO B 608 ? 0.7719 0.7352 0.7413 -0.1104 0.1267 -0.0391 608 PRO B C 9921 O O . PRO B 608 ? 0.7813 0.7396 0.7484 -0.1113 0.1240 -0.0388 608 PRO B O 9922 C CB . PRO B 608 ? 0.7211 0.7095 0.7091 -0.0985 0.1129 -0.0387 608 PRO B CB 9923 C CG . PRO B 608 ? 0.7083 0.7123 0.7075 -0.1006 0.1159 -0.0422 608 PRO B CG 9924 C CD . PRO B 608 ? 0.7180 0.7116 0.7070 -0.1006 0.1224 -0.0405 608 PRO B CD 9925 N N . GLU B 609 ? 0.8265 0.7910 0.7967 -0.1176 0.1353 -0.0420 609 GLU B N 9926 C CA . GLU B 609 ? 0.8472 0.8063 0.8153 -0.1276 0.1421 -0.0449 609 GLU B CA 9927 C C . GLU B 609 ? 0.8570 0.7904 0.8047 -0.1277 0.1447 -0.0412 609 GLU B C 9928 O O . GLU B 609 ? 0.8523 0.7711 0.7862 -0.1213 0.1440 -0.0369 609 GLU B O 9929 C CB . GLU B 609 ? 0.8735 0.8396 0.8470 -0.1359 0.1514 -0.0491 609 GLU B CB 9930 C CG . GLU B 609 ? 0.9177 0.8675 0.8761 -0.1365 0.1593 -0.0467 609 GLU B CG 9931 C CD . GLU B 609 ? 0.9317 0.8891 0.8933 -0.1295 0.1573 -0.0453 609 GLU B CD 9932 O OE1 . GLU B 609 ? 0.9275 0.9046 0.9044 -0.1255 0.1510 -0.0470 609 GLU B OE1 9933 O OE2 . GLU B 609 ? 0.9583 0.9011 0.9061 -0.1279 0.1622 -0.0425 609 GLU B OE2 9934 N N . GLY B 610 ? 0.8575 0.7855 0.8032 -0.1344 0.1472 -0.0431 610 GLY B N 9935 C CA . GLY B 610 ? 0.8856 0.7894 0.8119 -0.1341 0.1489 -0.0399 610 GLY B CA 9936 C C . GLY B 610 ? 0.8875 0.7860 0.8085 -0.1240 0.1396 -0.0357 610 GLY B C 9937 O O . GLY B 610 ? 0.8712 0.7802 0.8021 -0.1223 0.1329 -0.0366 610 GLY B O 9938 ZN ZN . ZN C . ? 0.2065 0.2653 0.2138 -0.0088 0.0068 -0.0154 1001 ZN A ZN 9939 CL CL . CL D . ? 0.2130 0.2868 0.2342 -0.0200 0.0106 -0.0128 1002 CL A CL 9940 C C1 . FUC E . ? 0.7657 0.7890 0.8048 -0.0083 0.0729 -0.0106 1611 FUC A C1 9941 C C2 . FUC E . ? 0.7934 0.8210 0.8393 -0.0119 0.0727 -0.0142 1611 FUC A C2 9942 C C3 . FUC E . ? 0.8442 0.8718 0.8919 -0.0123 0.0742 -0.0139 1611 FUC A C3 9943 C C4 . FUC E . ? 0.8899 0.9122 0.9369 -0.0096 0.0786 -0.0105 1611 FUC A C4 9944 C C5 . FUC E . ? 0.8772 0.8958 0.9153 -0.0062 0.0777 -0.0072 1611 FUC A C5 9945 C C6 . FUC E . ? 0.8781 0.8911 0.9139 -0.0032 0.0819 -0.0036 1611 FUC A C6 9946 O O2 . FUC E . ? 0.7930 0.8249 0.8370 -0.0137 0.0685 -0.0165 1611 FUC A O2 9947 O O3 . FUC E . ? 0.8605 0.8913 0.9162 -0.0152 0.0749 -0.0171 1611 FUC A O3 9948 O O4 . FUC E . ? 0.9047 0.9253 0.9586 -0.0097 0.0825 -0.0106 1611 FUC A O4 9949 O O5 . FUC E . ? 0.8328 0.8514 0.8706 -0.0058 0.0766 -0.0075 1611 FUC A O5 9950 C C1 . NAG F . ? 0.4617 0.4951 0.4976 -0.0123 0.0616 -0.0169 1612 NAG A C1 9951 C C2 . NAG F . ? 0.5152 0.5472 0.5548 -0.0118 0.0635 -0.0170 1612 NAG A C2 9952 C C3 . NAG F . ? 0.5238 0.5507 0.5614 -0.0084 0.0657 -0.0135 1612 NAG A C3 9953 C C4 . NAG F . ? 0.5487 0.5727 0.5846 -0.0070 0.0681 -0.0113 1612 NAG A C4 9954 C C5 . NAG F . ? 0.5558 0.5816 0.5869 -0.0074 0.0653 -0.0115 1612 NAG A C5 9955 C C6 . NAG F . ? 0.5978 0.6204 0.6262 -0.0056 0.0676 -0.0090 1612 NAG A C6 9956 C C7 . NAG F . ? 0.5369 0.5733 0.5804 -0.0144 0.0611 -0.0210 1612 NAG A C7 9957 C C8 . NAG F . ? 0.5482 0.5866 0.5906 -0.0150 0.0584 -0.0222 1612 NAG A C8 9958 N N2 . NAG F . ? 0.5155 0.5497 0.5540 -0.0123 0.0606 -0.0183 1612 NAG A N2 9959 O O3 . NAG F . ? 0.4895 0.5153 0.5327 -0.0085 0.0685 -0.0139 1612 NAG A O3 9960 O O4 . NAG F . ? 0.5718 0.5909 0.6042 -0.0035 0.0698 -0.0078 1612 NAG A O4 9961 O O5 . NAG F . ? 0.5005 0.5310 0.5355 -0.0108 0.0641 -0.0147 1612 NAG A O5 9962 O O6 . NAG F . ? 0.6722 0.6969 0.7045 -0.0078 0.0686 -0.0105 1612 NAG A O6 9963 O O7 . NAG F . ? 0.5858 0.6226 0.6348 -0.0159 0.0638 -0.0225 1612 NAG A O7 9964 C C1 . NAG G . ? 0.5854 0.5832 0.4820 0.0546 -0.0365 -0.0335 1614 NAG A C1 9965 C C2 . NAG G . ? 0.6068 0.6023 0.4967 0.0575 -0.0400 -0.0366 1614 NAG A C2 9966 C C3 . NAG G . ? 0.6301 0.6227 0.5130 0.0623 -0.0458 -0.0382 1614 NAG A C3 9967 C C4 . NAG G . ? 0.6394 0.6350 0.5308 0.0619 -0.0502 -0.0392 1614 NAG A C4 9968 C C5 . NAG G . ? 0.6180 0.6159 0.5165 0.0585 -0.0458 -0.0359 1614 NAG A C5 9969 C C6 . NAG G . ? 0.6017 0.6032 0.5106 0.0573 -0.0495 -0.0371 1614 NAG A C6 9970 C C7 . NAG G . ? 0.5998 0.5929 0.4827 0.0567 -0.0341 -0.0366 1614 NAG A C7 9971 C C8 . NAG G . ? 0.6029 0.5920 0.4766 0.0579 -0.0290 -0.0347 1614 NAG A C8 9972 N N2 . NAG G . ? 0.6012 0.5933 0.4824 0.0584 -0.0354 -0.0350 1614 NAG A N2 9973 O O3 . NAG G . ? 0.6292 0.6211 0.5089 0.0644 -0.0499 -0.0421 1614 NAG A O3 9974 O O4 . NAG G . ? 0.6953 0.6873 0.5785 0.0667 -0.0544 -0.0394 1614 NAG A O4 9975 O O5 . NAG G . ? 0.5927 0.5934 0.4972 0.0542 -0.0411 -0.0352 1614 NAG A O5 9976 O O6 . NAG G . ? 0.5846 0.5872 0.4976 0.0550 -0.0453 -0.0338 1614 NAG A O6 9977 O O7 . NAG G . ? 0.5785 0.5757 0.4704 0.0544 -0.0366 -0.0395 1614 NAG A O7 9978 C C1 . NAG H . ? 0.7396 0.7329 0.6255 0.0685 -0.0618 -0.0439 1615 NAG A C1 9979 C C2 . NAG H . ? 0.7571 0.7481 0.6387 0.0725 -0.0663 -0.0435 1615 NAG A C2 9980 C C3 . NAG H . ? 0.7914 0.7830 0.6740 0.0754 -0.0746 -0.0484 1615 NAG A C3 9981 C C4 . NAG H . ? 0.8189 0.8082 0.6933 0.0775 -0.0760 -0.0512 1615 NAG A C4 9982 C C5 . NAG H . ? 0.8296 0.8213 0.7094 0.0731 -0.0709 -0.0514 1615 NAG A C5 9983 C C6 . NAG H . ? 0.8465 0.8357 0.7180 0.0752 -0.0717 -0.0540 1615 NAG A C6 9984 C C7 . NAG H . ? 0.7089 0.6997 0.5941 0.0712 -0.0614 -0.0371 1615 NAG A C7 9985 C C8 . NAG H . ? 0.6813 0.6751 0.5766 0.0687 -0.0604 -0.0354 1615 NAG A C8 9986 N N2 . NAG H . ? 0.7131 0.7066 0.6033 0.0703 -0.0650 -0.0413 1615 NAG A N2 9987 O O3 . NAG H . ? 0.7955 0.7843 0.6722 0.0795 -0.0786 -0.0477 1615 NAG A O3 9988 O O4 . NAG H . ? 0.8671 0.8575 0.7443 0.0796 -0.0837 -0.0563 1615 NAG A O4 9989 O O5 . NAG H . ? 0.7866 0.7778 0.6655 0.0706 -0.0635 -0.0466 1615 NAG A O5 9990 O O6 . NAG H . ? 0.8749 0.8607 0.7372 0.0752 -0.0651 -0.0506 1615 NAG A O6 9991 O O7 . NAG H . ? 0.6990 0.6850 0.5721 0.0740 -0.0587 -0.0345 1615 NAG A O7 9992 C C1 . NAG I . ? 0.4893 0.5749 0.6122 -0.0222 0.0134 0.0087 1616 NAG A C1 9993 C C2 . NAG I . ? 0.4785 0.5638 0.5991 -0.0216 0.0128 0.0097 1616 NAG A C2 9994 C C3 . NAG I . ? 0.4734 0.5620 0.5925 -0.0221 0.0089 0.0119 1616 NAG A C3 9995 C C4 . NAG I . ? 0.4685 0.5606 0.5940 -0.0228 0.0059 0.0137 1616 NAG A C4 9996 C C5 . NAG I . ? 0.4580 0.5503 0.5850 -0.0233 0.0063 0.0122 1616 NAG A C5 9997 C C6 . NAG I . ? 0.4795 0.5755 0.6130 -0.0239 0.0029 0.0136 1616 NAG A C6 9998 C C7 . NAG I . ? 0.5303 0.6091 0.6432 -0.0198 0.0181 0.0067 1616 NAG A C7 9999 C C8 . NAG I . ? 0.5251 0.6011 0.6294 -0.0190 0.0195 0.0050 1616 NAG A C8 10000 N N2 . NAG I . ? 0.5027 0.5848 0.6158 -0.0209 0.0150 0.0080 1616 NAG A N2 10001 O O3 . NAG I . ? 0.4683 0.5564 0.5873 -0.0216 0.0088 0.0128 1616 NAG A O3 10002 O O4 . NAG I . ? 0.4929 0.5877 0.6149 -0.0231 0.0025 0.0156 1616 NAG A O4 10003 O O5 . NAG I . ? 0.4654 0.5545 0.5947 -0.0229 0.0104 0.0103 1616 NAG A O5 10004 O O6 . NAG I . ? 0.4876 0.5844 0.6277 -0.0235 0.0021 0.0156 1616 NAG A O6 10005 O O7 . NAG I . ? 0.5349 0.6128 0.6540 -0.0195 0.0197 0.0067 1616 NAG A O7 10006 C C1 . NAG J . ? 0.5278 0.6243 0.6539 -0.0229 0.0005 0.0182 1617 NAG A C1 10007 C C2 . NAG J . ? 0.5535 0.6529 0.6758 -0.0232 -0.0030 0.0204 1617 NAG A C2 10008 C C3 . NAG J . ? 0.5792 0.6803 0.7057 -0.0228 -0.0048 0.0236 1617 NAG A C3 10009 C C4 . NAG J . ? 0.5936 0.6924 0.7219 -0.0222 -0.0023 0.0236 1617 NAG A C4 10010 C C5 . NAG J . ? 0.5793 0.6752 0.7107 -0.0220 0.0010 0.0209 1617 NAG A C5 10011 C C6 . NAG J . ? 0.5763 0.6697 0.7089 -0.0213 0.0035 0.0203 1617 NAG A C6 10012 C C7 . NAG J . ? 0.5727 0.6752 0.6887 -0.0243 -0.0065 0.0193 1617 NAG A C7 10013 C C8 . NAG J . ? 0.5767 0.6818 0.6947 -0.0249 -0.0092 0.0189 1617 NAG A C8 10014 N N2 . NAG J . ? 0.5678 0.6696 0.6905 -0.0238 -0.0054 0.0202 1617 NAG A N2 10015 O O3 . NAG J . ? 0.5687 0.6718 0.6902 -0.0230 -0.0075 0.0256 1617 NAG A O3 10016 O O4 . NAG J . ? 0.6355 0.7357 0.7698 -0.0219 -0.0036 0.0265 1617 NAG A O4 10017 O O5 . NAG J . ? 0.5544 0.6489 0.6801 -0.0223 0.0024 0.0184 1617 NAG A O5 10018 O O6 . NAG J . ? 0.6214 0.7140 0.7472 -0.0212 0.0037 0.0198 1617 NAG A O6 10019 O O7 . NAG J . ? 0.5754 0.6768 0.6844 -0.0243 -0.0056 0.0188 1617 NAG A O7 10020 C C1 . BMA K . ? 0.6781 0.7790 0.8088 -0.0217 -0.0048 0.0287 1618 BMA A C1 10021 C C2 . BMA K . ? 0.6775 0.7784 0.8150 -0.0211 -0.0045 0.0310 1618 BMA A C2 10022 C C3 . BMA K . ? 0.6930 0.7950 0.8279 -0.0208 -0.0057 0.0339 1618 BMA A C3 10023 C C4 . BMA K . ? 0.6906 0.7950 0.8198 -0.0211 -0.0086 0.0358 1618 BMA A C4 10024 C C5 . BMA K . ? 0.6943 0.7984 0.8170 -0.0217 -0.0087 0.0329 1618 BMA A C5 10025 C C6 . BMA K . ? 0.6894 0.7960 0.8073 -0.0219 -0.0119 0.0345 1618 BMA A C6 10026 O O2 . BMA K . ? 0.6758 0.7784 0.8212 -0.0210 -0.0060 0.0326 1618 BMA A O2 10027 O O3 . BMA K . ? 0.6812 0.7839 0.8237 -0.0203 -0.0061 0.0367 1618 BMA A O3 10028 O O4 . BMA K . ? 0.6775 0.7818 0.8028 -0.0208 -0.0086 0.0378 1618 BMA A O4 10029 O O5 . BMA K . ? 0.6880 0.7916 0.8150 -0.0219 -0.0079 0.0306 1618 BMA A O5 10030 O O6 . BMA K . ? 0.6575 0.7634 0.7671 -0.0224 -0.0112 0.0325 1618 BMA A O6 10031 C C1 . FUC L . ? 0.5146 0.6150 0.6602 -0.0239 -0.0017 0.0175 1619 FUC A C1 10032 C C2 . FUC L . ? 0.5219 0.6227 0.6752 -0.0233 -0.0018 0.0194 1619 FUC A C2 10033 C C3 . FUC L . ? 0.5230 0.6214 0.6835 -0.0232 0.0017 0.0178 1619 FUC A C3 10034 C C4 . FUC L . ? 0.5146 0.6143 0.6799 -0.0237 0.0011 0.0165 1619 FUC A C4 10035 C C5 . FUC L . ? 0.5055 0.6052 0.6628 -0.0242 0.0008 0.0148 1619 FUC A C5 10036 C C6 . FUC L . ? 0.4991 0.6002 0.6611 -0.0249 0.0000 0.0133 1619 FUC A C6 10037 O O2 . FUC L . ? 0.5428 0.6423 0.6921 -0.0229 -0.0010 0.0204 1619 FUC A O2 10038 O O3 . FUC L . ? 0.5444 0.6431 0.7126 -0.0227 0.0018 0.0194 1619 FUC A O3 10039 O O4 . FUC L . ? 0.5093 0.6126 0.6809 -0.0239 -0.0031 0.0185 1619 FUC A O4 10040 O O5 . FUC L . ? 0.5088 0.6105 0.6592 -0.0244 -0.0025 0.0162 1619 FUC A O5 10041 C C1 . PEG M . ? 0.5076 0.5559 0.5091 0.0050 -0.0103 -0.0278 1622 PEG A C1 10042 O O1 . PEG M . ? 0.5058 0.5525 0.5030 0.0057 -0.0091 -0.0268 1622 PEG A O1 10043 C C2 . PEG M . ? 0.5086 0.5583 0.5102 0.0029 -0.0072 -0.0260 1622 PEG A C2 10044 O O2 . PEG M . ? 0.5125 0.5651 0.5209 0.0011 -0.0077 -0.0263 1622 PEG A O2 10045 C C3 . PEG M . ? 0.5305 0.5855 0.5415 -0.0016 -0.0050 -0.0243 1622 PEG A C3 10046 C C4 . PEG M . ? 0.5288 0.5867 0.5473 -0.0033 -0.0056 -0.0246 1622 PEG A C4 10047 O O4 . PEG M . ? 0.5306 0.5900 0.5507 -0.0048 -0.0041 -0.0237 1622 PEG A O4 10048 C C1 . PEG N . ? 0.5301 0.6086 0.5835 -0.0297 0.0400 -0.0119 1624 PEG A C1 10049 O O1 . PEG N . ? 0.5329 0.6123 0.5799 -0.0304 0.0411 -0.0096 1624 PEG A O1 10050 C C2 . PEG N . ? 0.5232 0.6018 0.5776 -0.0286 0.0356 -0.0127 1624 PEG A C2 10051 O O2 . PEG N . ? 0.5309 0.6090 0.5938 -0.0277 0.0344 -0.0134 1624 PEG A O2 10052 C C3 . PEG N . ? 0.5261 0.6047 0.5913 -0.0273 0.0337 -0.0116 1624 PEG A C3 10053 C C4 . PEG N . ? 0.5247 0.6028 0.5993 -0.0263 0.0321 -0.0128 1624 PEG A C4 10054 O O4 . PEG N . ? 0.5280 0.6065 0.6034 -0.0256 0.0296 -0.0120 1624 PEG A O4 10055 O O1 . PG4 O . ? 0.5686 0.6479 0.5756 -0.0328 0.0274 -0.0272 1625 PG4 A O1 10056 C C1 . PG4 O . ? 0.5751 0.6548 0.5829 -0.0339 0.0289 -0.0296 1625 PG4 A C1 10057 C C2 . PG4 O . ? 0.5761 0.6565 0.5847 -0.0344 0.0284 -0.0305 1625 PG4 A C2 10058 O O2 . PG4 O . ? 0.5790 0.6610 0.5877 -0.0359 0.0291 -0.0331 1625 PG4 A O2 10059 C C3 . PG4 O . ? 0.5774 0.6618 0.5837 -0.0369 0.0274 -0.0334 1625 PG4 A C3 10060 C C4 . PG4 O . ? 0.5773 0.6633 0.5817 -0.0382 0.0280 -0.0359 1625 PG4 A C4 10061 O O3 . PG4 O . ? 0.5958 0.6836 0.6003 -0.0391 0.0266 -0.0375 1625 PG4 A O3 10062 C C5 . PG4 O . ? 0.5959 0.6850 0.5987 -0.0403 0.0271 -0.0404 1625 PG4 A C5 10063 C C6 . PG4 O . ? 0.5854 0.6770 0.5867 -0.0411 0.0247 -0.0417 1625 PG4 A C6 10064 O O4 . PG4 O . ? 0.5752 0.6683 0.5719 -0.0419 0.0246 -0.0433 1625 PG4 A O4 10065 C C1 . PEG P . ? 0.3932 0.4611 0.5043 -0.0263 0.0438 -0.0138 1626 PEG A C1 10066 O O1 . PEG P . ? 0.3705 0.4368 0.4909 -0.0263 0.0478 -0.0143 1626 PEG A O1 10067 C C2 . PEG P . ? 0.3852 0.4540 0.4917 -0.0269 0.0426 -0.0150 1626 PEG A C2 10068 O O2 . PEG P . ? 0.4026 0.4758 0.5154 -0.0287 0.0390 -0.0171 1626 PEG A O2 10069 C C3 . PEG P . ? 0.4069 0.4803 0.5169 -0.0293 0.0390 -0.0185 1626 PEG A C3 10070 C C4 . PEG P . ? 0.4139 0.4924 0.5248 -0.0309 0.0334 -0.0204 1626 PEG A C4 10071 O O4 . PEG P . ? 0.4216 0.5030 0.5429 -0.0320 0.0317 -0.0219 1626 PEG A O4 10123 ZN ZN . ZN R . ? 0.1965 0.2224 0.2128 -0.0374 0.0191 -0.0241 1001 ZN B ZN 10124 CL CL . CL S . ? 0.3059 0.3134 0.3102 -0.0493 0.0248 -0.0281 1003 CL B CL 10125 C C1 . FUC T . ? 0.7324 0.7771 0.7457 -0.0458 0.0828 -0.0341 1611 FUC B C1 10126 C C2 . FUC T . ? 0.7531 0.7822 0.7537 -0.0424 0.0821 -0.0300 1611 FUC B C2 10127 C C3 . FUC T . ? 0.7900 0.8055 0.7813 -0.0460 0.0858 -0.0281 1611 FUC B C3 10128 C C4 . FUC T . ? 0.8255 0.8439 0.8204 -0.0535 0.0926 -0.0307 1611 FUC B C4 10129 C C5 . FUC T . ? 0.8087 0.8428 0.8145 -0.0557 0.0958 -0.0347 1611 FUC B C5 10130 C C6 . FUC T . ? 0.8131 0.8462 0.8151 -0.0540 0.1003 -0.0347 1611 FUC B C6 10131 O O2 . FUC T . ? 0.7549 0.7821 0.7545 -0.0375 0.0750 -0.0282 1611 FUC B O2 10132 O O3 . FUC T . ? 0.8208 0.8247 0.8010 -0.0430 0.0878 -0.0257 1611 FUC B O3 10133 O O4 . FUC T . ? 0.8093 0.8134 0.7927 -0.0562 0.0984 -0.0290 1611 FUC B O4 10134 O O5 . FUC T . ? 0.7788 0.8261 0.7949 -0.0526 0.0897 -0.0365 1611 FUC B O5 10135 C C1 . NAG U . ? 0.4822 0.5392 0.5015 -0.0277 0.0631 -0.0331 1612 NAG B C1 10136 C C2 . NAG U . ? 0.5240 0.5902 0.5469 -0.0248 0.0647 -0.0356 1612 NAG B C2 10137 C C3 . NAG U . ? 0.5360 0.6157 0.5687 -0.0287 0.0688 -0.0398 1612 NAG B C3 10138 C C4 . NAG U . ? 0.5488 0.6263 0.5827 -0.0361 0.0735 -0.0403 1612 NAG B C4 10139 C C5 . NAG U . ? 0.5584 0.6260 0.5879 -0.0374 0.0703 -0.0374 1612 NAG B C5 10140 C C6 . NAG U . ? 0.6014 0.6652 0.6305 -0.0444 0.0751 -0.0378 1612 NAG B C6 10141 C C7 . NAG U . ? 0.5679 0.6378 0.5888 -0.0141 0.0581 -0.0359 1612 NAG B C7 10142 C C8 . NAG U . ? 0.5620 0.6338 0.5826 -0.0085 0.0523 -0.0362 1612 NAG B C8 10143 N N2 . NAG U . ? 0.5392 0.6089 0.5631 -0.0192 0.0590 -0.0359 1612 NAG B N2 10144 O O3 . NAG U . ? 0.5265 0.6113 0.5600 -0.0272 0.0725 -0.0415 1612 NAG B O3 10145 O O4 . NAG U . ? 0.5328 0.6247 0.5775 -0.0393 0.0752 -0.0449 1612 NAG B O4 10146 O O5 . NAG U . ? 0.5188 0.5739 0.5385 -0.0336 0.0681 -0.0336 1612 NAG B O5 10147 O O6 . NAG U . ? 0.6620 0.7104 0.6802 -0.0450 0.0769 -0.0342 1612 NAG B O6 10148 O O7 . NAG U . ? 0.6475 0.7153 0.6651 -0.0139 0.0620 -0.0356 1612 NAG B O7 10149 C C1 . NAG V . ? 0.5019 0.5925 0.5463 -0.0131 -0.0183 -0.0674 1614 NAG B C1 10150 C C2 . NAG V . ? 0.5431 0.6312 0.5850 -0.0128 -0.0208 -0.0690 1614 NAG B C2 10151 C C3 . NAG V . ? 0.5751 0.6733 0.6203 -0.0083 -0.0258 -0.0756 1614 NAG B C3 10152 C C4 . NAG V . ? 0.6069 0.7082 0.6492 -0.0003 -0.0289 -0.0771 1614 NAG B C4 10153 C C5 . NAG V . ? 0.5673 0.6698 0.6119 -0.0017 -0.0256 -0.0747 1614 NAG B C5 10154 C C6 . NAG V . ? 0.5443 0.6461 0.5832 0.0065 -0.0281 -0.0749 1614 NAG B C6 10155 C C7 . NAG V . ? 0.5344 0.6117 0.5748 -0.0224 -0.0162 -0.0648 1614 NAG B C7 10156 C C8 . NAG V . ? 0.5368 0.6138 0.5811 -0.0298 -0.0134 -0.0651 1614 NAG B C8 10157 N N2 . NAG V . ? 0.5269 0.6145 0.5729 -0.0204 -0.0179 -0.0687 1614 NAG B N2 10158 O O3 . NAG V . ? 0.5619 0.6549 0.6017 -0.0062 -0.0285 -0.0761 1614 NAG B O3 10159 O O4 . NAG V . ? 0.7048 0.8194 0.7536 0.0023 -0.0331 -0.0843 1614 NAG B O4 10160 O O5 . NAG V . ? 0.5260 0.6173 0.5660 -0.0055 -0.0214 -0.0684 1614 NAG B O5 10161 O O6 . NAG V . ? 0.4926 0.6005 0.5372 0.0047 -0.0257 -0.0750 1614 NAG B O6 10162 O O7 . NAG V . ? 0.5280 0.5960 0.5599 -0.0186 -0.0166 -0.0611 1614 NAG B O7 10163 C C1 . NAG W . ? 0.7894 0.9007 0.8299 0.0110 -0.0382 -0.0860 1615 NAG B C1 10164 C C2 . NAG W . ? 0.8317 0.9586 0.8792 0.0156 -0.0430 -0.0940 1615 NAG B C2 10165 C C3 . NAG W . ? 0.8651 0.9910 0.9062 0.0233 -0.0489 -0.0976 1615 NAG B C3 10166 C C4 . NAG W . ? 0.8796 1.0011 0.9202 0.0188 -0.0489 -0.0973 1615 NAG B C4 10167 C C5 . NAG W . ? 0.8791 0.9897 0.9182 0.0107 -0.0429 -0.0905 1615 NAG B C5 10168 C C6 . NAG W . ? 0.8951 1.0141 0.9460 0.0008 -0.0401 -0.0930 1615 NAG B C6 10169 C C7 . NAG W . ? 0.8620 1.0035 0.9199 0.0157 -0.0406 -0.0960 1615 NAG B C7 10170 C C8 . NAG W . ? 0.8622 1.0058 0.9179 0.0217 -0.0411 -0.0959 1615 NAG B C8 10171 N N2 . NAG W . ? 0.8475 0.9780 0.8949 0.0201 -0.0431 -0.0941 1615 NAG B N2 10172 O O3 . NAG W . ? 0.8665 1.0087 0.9154 0.0273 -0.0535 -0.1056 1615 NAG B O3 10173 O O4 . NAG W . ? 0.9059 1.0187 0.9349 0.0267 -0.0530 -0.0972 1615 NAG B O4 10174 O O5 . NAG W . ? 0.8288 0.9317 0.8636 0.0106 -0.0391 -0.0847 1615 NAG B O5 10175 O O6 . NAG W . ? 0.9039 1.0141 0.9511 -0.0030 -0.0389 -0.0905 1615 NAG B O6 10176 O O7 . NAG W . ? 0.8635 1.0126 0.9318 0.0072 -0.0377 -0.0978 1615 NAG B O7 10177 C C1 . NAG X . ? 0.6934 0.7765 0.6152 0.1299 -0.0469 -0.0964 1616 NAG B C1 10178 C C2 . NAG X . ? 0.6843 0.7845 0.6224 0.1237 -0.0444 -0.0981 1616 NAG B C2 10179 C C3 . NAG X . ? 0.6685 0.7924 0.6273 0.1179 -0.0447 -0.1035 1616 NAG B C3 10180 C C4 . NAG X . ? 0.6891 0.8251 0.6483 0.1279 -0.0509 -0.1113 1616 NAG B C4 10181 C C5 . NAG X . ? 0.7019 0.8184 0.6432 0.1345 -0.0534 -0.1087 1616 NAG B C5 10182 C C6 . NAG X . ? 0.7144 0.8398 0.6527 0.1462 -0.0601 -0.1161 1616 NAG B C6 10183 C C7 . NAG X . ? 0.6888 0.7721 0.6226 0.1139 -0.0369 -0.0887 1616 NAG B C7 10184 C C8 . NAG X . ? 0.6884 0.7606 0.6232 0.1029 -0.0315 -0.0817 1616 NAG B C8 10185 N N2 . NAG X . ? 0.6978 0.7866 0.6360 0.1136 -0.0388 -0.0910 1616 NAG B N2 10186 O O3 . NAG X . ? 0.6293 0.7686 0.6019 0.1128 -0.0422 -0.1055 1616 NAG B O3 10187 O O4 . NAG X . ? 0.7206 0.8765 0.6986 0.1209 -0.0506 -0.1158 1616 NAG B O4 10188 O O5 . NAG X . ? 0.7009 0.7953 0.6228 0.1398 -0.0527 -0.1036 1616 NAG B O5 10189 O O6 . NAG X . ? 0.7369 0.8436 0.6600 0.1497 -0.0613 -0.1128 1616 NAG B O6 10190 O O7 . NAG X . ? 0.6986 0.7857 0.6278 0.1227 -0.0395 -0.0922 1616 NAG B O7 10191 C C1 . NAG Y . ? 0.7779 0.9582 0.7697 0.1234 -0.0525 -0.1239 1617 NAG B C1 10192 C C2 . NAG Y . ? 0.7940 0.9926 0.8011 0.1190 -0.0539 -0.1299 1617 NAG B C2 10193 C C3 . NAG Y . ? 0.7906 1.0168 0.8159 0.1179 -0.0544 -0.1385 1617 NAG B C3 10194 C C4 . NAG Y . ? 0.8123 1.0436 0.8447 0.1119 -0.0494 -0.1368 1617 NAG B C4 10195 C C5 . NAG Y . ? 0.8126 1.0234 0.8283 0.1167 -0.0483 -0.1300 1617 NAG B C5 10196 C C6 . NAG Y . ? 0.8030 1.0152 0.8260 0.1076 -0.0423 -0.1264 1617 NAG B C6 10197 C C7 . NAG Y . ? 0.8284 1.0088 0.8187 0.1265 -0.0596 -0.1287 1617 NAG B C7 10198 C C8 . NAG Y . ? 0.8348 1.0130 0.8150 0.1380 -0.0660 -0.1330 1617 NAG B C8 10199 N N2 . NAG Y . ? 0.8150 1.0099 0.8128 0.1286 -0.0597 -0.1330 1617 NAG B N2 10200 O O3 . NAG Y . ? 0.7675 1.0070 0.8077 0.1093 -0.0534 -0.1419 1617 NAG B O3 10201 O O4 . NAG Y . ? 0.8494 1.1048 0.8933 0.1165 -0.0516 -0.1460 1617 NAG B O4 10202 O O5 . NAG Y . ? 0.7964 0.9829 0.7973 0.1161 -0.0478 -0.1224 1617 NAG B O5 10203 O O6 . NAG Y . ? 0.8189 1.0134 0.8270 0.1121 -0.0416 -0.1209 1617 NAG B O6 10204 O O7 . NAG Y . ? 0.8205 0.9896 0.8114 0.1162 -0.0547 -0.1218 1617 NAG B O7 10205 C C1 . BMA Z . ? 0.8882 1.1599 0.9496 0.1057 -0.0463 -0.1481 1618 BMA B C1 10206 C C2 . BMA Z . ? 0.9085 1.1916 0.9716 0.1126 -0.0469 -0.1524 1618 BMA B C2 10207 C C3 . BMA Z . ? 0.8975 1.2022 0.9799 0.1032 -0.0420 -0.1570 1618 BMA B C3 10208 C C4 . BMA Z . ? 0.8868 1.2115 0.9853 0.0979 -0.0428 -0.1647 1618 BMA B C4 10209 C C5 . BMA Z . ? 0.8792 1.1890 0.9747 0.0899 -0.0414 -0.1588 1618 BMA B C5 10210 C C6 . BMA Z . ? 0.8639 1.1914 0.9745 0.0835 -0.0418 -0.1658 1618 BMA B C6 10211 O O2 . BMA Z . ? 0.9529 1.2457 1.0119 0.1268 -0.0540 -0.1599 1618 BMA B O2 10212 O O3 . BMA Z . ? 0.8841 1.2014 0.9682 0.1111 -0.0432 -0.1621 1618 BMA B O3 10213 O O4 . BMA Z . ? 0.8861 1.2304 1.0020 0.0887 -0.0376 -0.1693 1618 BMA B O4 10214 O O5 . BMA Z . ? 0.8906 1.1813 0.9685 0.0992 -0.0462 -0.1546 1618 BMA B O5 10215 O O6 . BMA Z . ? 0.8461 1.1583 0.9531 0.0759 -0.0401 -0.1597 1618 BMA B O6 10216 C C1 . PEG AA . ? 0.5898 0.5618 0.5392 -0.0079 0.0105 -0.0260 1621 PEG B C1 10217 O O1 . PEG AA . ? 0.6208 0.5857 0.5673 -0.0110 0.0099 -0.0259 1621 PEG B O1 10218 C C2 . PEG AA . ? 0.5899 0.5663 0.5442 -0.0098 0.0108 -0.0257 1621 PEG B C2 10219 O O2 . PEG AA . ? 0.6117 0.5824 0.5625 -0.0109 0.0096 -0.0259 1621 PEG B O2 10220 C C3 . PEG AA . ? 0.5776 0.5494 0.5327 -0.0148 0.0091 -0.0260 1621 PEG B C3 10221 C C4 . PEG AA . ? 0.5690 0.5350 0.5202 -0.0159 0.0075 -0.0269 1621 PEG B C4 10222 O O4 . PEG AA . ? 0.5646 0.5269 0.5155 -0.0193 0.0071 -0.0276 1621 PEG B O4 10223 O O1 . P6G BA . ? 0.5909 0.5325 0.5236 -0.0183 0.0098 -0.0270 1622 P6G B O1 10224 C C2 . P6G BA . ? 0.6090 0.5388 0.5314 -0.0181 0.0102 -0.0273 1622 P6G B C2 10225 C C3 . P6G BA . ? 0.6170 0.5423 0.5397 -0.0244 0.0114 -0.0282 1622 P6G B C3 10226 O O4 . P6G BA . ? 0.6476 0.5670 0.5656 -0.0249 0.0132 -0.0276 1622 P6G B O4 10227 C C5 . P6G BA . ? 0.6307 0.5365 0.5356 -0.0230 0.0138 -0.0276 1622 P6G B C5 10228 C C6 . P6G BA . ? 0.6319 0.5316 0.5314 -0.0229 0.0158 -0.0269 1622 P6G B C6 10229 O O7 . P6G BA . ? 0.6451 0.5535 0.5497 -0.0189 0.0152 -0.0259 1622 P6G B O7 10230 C C8 . P6G BA . ? 0.6525 0.5542 0.5500 -0.0167 0.0164 -0.0253 1622 P6G B C8 10231 C C9 . P6G BA . ? 0.6607 0.5738 0.5661 -0.0137 0.0156 -0.0248 1622 P6G B C9 10232 O O10 . P6G BA . ? 0.6950 0.6100 0.5970 -0.0063 0.0138 -0.0249 1622 P6G B O10 10233 C C11 . P6G BA . ? 0.6865 0.6159 0.5994 -0.0046 0.0127 -0.0251 1622 P6G B C11 10234 C C12 . P6G BA . ? 0.6776 0.6126 0.5910 0.0008 0.0110 -0.0259 1622 P6G B C12 10235 O O13 . P6G BA . ? 0.6962 0.6432 0.6173 0.0036 0.0102 -0.0265 1622 P6G B O13 10236 C C14 . P6G BA . ? 0.6760 0.6252 0.5931 0.0107 0.0087 -0.0278 1622 P6G B C14 10237 C C15 . P6G BA . ? 0.6339 0.5952 0.5583 0.0137 0.0080 -0.0292 1622 P6G B C15 10238 O O16 . P6G BA . ? 0.6113 0.5832 0.5416 0.0162 0.0075 -0.0306 1622 P6G B O16 10239 C C17 . P6G BA . ? 0.5611 0.5459 0.5038 0.0129 0.0082 -0.0311 1622 P6G B C17 10240 C C18 . P6G BA . ? 0.5356 0.5282 0.4841 0.0123 0.0089 -0.0317 1622 P6G B C18 10241 O O19 . P6G BA . ? 0.5101 0.5014 0.4625 0.0064 0.0102 -0.0299 1622 P6G B O19 10242 C C1 . PEG CA . ? 0.5762 0.5818 0.5696 -0.0239 0.0124 -0.0233 1623 PEG B C1 10243 O O1 . PEG CA . ? 0.5945 0.5983 0.5855 -0.0224 0.0123 -0.0232 1623 PEG B O1 10244 C C2 . PEG CA . ? 0.5393 0.5478 0.5376 -0.0277 0.0140 -0.0225 1623 PEG B C2 10245 O O2 . PEG CA . ? 0.5500 0.5545 0.5454 -0.0293 0.0160 -0.0216 1623 PEG B O2 10246 C C3 . PEG CA . ? 0.5488 0.5549 0.5471 -0.0320 0.0175 -0.0212 1623 PEG B C3 10247 C C4 . PEG CA . ? 0.5826 0.5840 0.5769 -0.0337 0.0199 -0.0208 1623 PEG B C4 10248 O O4 . PEG CA . ? 0.6138 0.6124 0.6059 -0.0342 0.0207 -0.0207 1623 PEG B O4 10249 C C1 . PEG DA . ? 0.6792 0.6544 0.6301 -0.0024 0.0020 -0.0281 1624 PEG B C1 10250 O O1 . PEG DA . ? 0.6808 0.6472 0.6212 0.0015 0.0018 -0.0279 1624 PEG B O1 10251 C C2 . PEG DA . ? 0.7140 0.6946 0.6679 0.0002 -0.0016 -0.0305 1624 PEG B C2 10252 O O2 . PEG DA . ? 0.7030 0.6940 0.6683 -0.0033 -0.0024 -0.0318 1624 PEG B O2 10253 C C3 . PEG DA . ? 0.7238 0.7214 0.6931 -0.0013 -0.0066 -0.0353 1624 PEG B C3 10254 C C4 . PEG DA . ? 0.7296 0.7301 0.7029 -0.0038 -0.0072 -0.0361 1624 PEG B C4 10255 O O4 . PEG DA . ? 0.7156 0.7250 0.6989 -0.0078 -0.0075 -0.0377 1624 PEG B O4 # 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 LEU 1 1 1 LEU LEU A . n A 1 2 ASP 2 2 2 ASP ASP A . n A 1 3 PRO 3 3 3 PRO PRO A . n A 1 4 GLY 4 4 4 GLY GLY A . n A 1 5 LEU 5 5 5 LEU LEU A . n A 1 6 GLN 6 6 6 GLN GLN A . n A 1 7 PRO 7 7 7 PRO PRO A . n A 1 8 GLY 8 8 8 GLY GLY A . n A 1 9 GLN 9 9 9 GLN GLN A . n A 1 10 PHE 10 10 10 PHE PHE A . n A 1 11 SER 11 11 11 SER SER A . n A 1 12 ALA 12 12 12 ALA ALA A . n A 1 13 ASP 13 13 13 ASP ASP A . n A 1 14 GLU 14 14 14 GLU GLU A . n A 1 15 ALA 15 15 15 ALA ALA A . n A 1 16 GLY 16 16 16 GLY GLY A . n A 1 17 ALA 17 17 17 ALA ALA A . n A 1 18 GLN 18 18 18 GLN GLN A . n A 1 19 LEU 19 19 19 LEU LEU A . n A 1 20 PHE 20 20 20 PHE PHE A . n A 1 21 ALA 21 21 21 ALA ALA A . n A 1 22 GLN 22 22 22 GLN GLN A . n A 1 23 SER 23 23 23 SER SER A . n A 1 24 TYR 24 24 24 TYR TYR A . n A 1 25 GLN 25 25 25 GLN GLN A . n A 1 26 SER 26 26 26 SER SER A . n A 1 27 SER 27 27 27 SER SER A . n A 1 28 ALA 28 28 28 ALA ALA A . n A 1 29 GLU 29 29 29 GLU GLU A . n A 1 30 GLN 30 30 30 GLN GLN A . n A 1 31 VAL 31 31 31 VAL VAL A . n A 1 32 LEU 32 32 32 LEU LEU A . n A 1 33 PHE 33 33 33 PHE PHE A . n A 1 34 GLN 34 34 34 GLN GLN A . n A 1 35 SER 35 35 35 SER SER A . n A 1 36 VAL 36 36 36 VAL VAL A . n A 1 37 ALA 37 37 37 ALA ALA A . n A 1 38 ALA 38 38 38 ALA ALA A . n A 1 39 SER 39 39 39 SER SER A . n A 1 40 TRP 40 40 40 TRP TRP A . n A 1 41 ALA 41 41 41 ALA ALA A . n A 1 42 HIS 42 42 42 HIS HIS A . n A 1 43 ASP 43 43 43 ASP ASP A . n A 1 44 THR 44 44 44 THR THR A . n A 1 45 ASN 45 45 45 ASN ASN A . n A 1 46 ILE 46 46 46 ILE ILE A . n A 1 47 THR 47 47 47 THR THR A . n A 1 48 ALA 48 48 48 ALA ALA A . n A 1 49 GLU 49 49 49 GLU GLU A . n A 1 50 ASN 50 50 50 ASN ASN A . n A 1 51 ALA 51 51 51 ALA ALA A . n A 1 52 ARG 52 52 52 ARG ARG A . n A 1 53 ARG 53 53 53 ARG ARG A . n A 1 54 GLN 54 54 54 GLN GLN A . n A 1 55 GLU 55 55 55 GLU GLU A . n A 1 56 GLU 56 56 56 GLU GLU A . n A 1 57 ALA 57 57 57 ALA ALA A . n A 1 58 ALA 58 58 58 ALA ALA A . n A 1 59 LEU 59 59 59 LEU LEU A . n A 1 60 LEU 60 60 60 LEU LEU A . n A 1 61 SER 61 61 61 SER SER A . n A 1 62 GLN 62 62 62 GLN GLN A . n A 1 63 GLU 63 63 63 GLU GLU A . n A 1 64 PHE 64 64 64 PHE PHE A . n A 1 65 ALA 65 65 65 ALA ALA A . n A 1 66 GLU 66 66 66 GLU GLU A . n A 1 67 ALA 67 67 67 ALA ALA A . n A 1 68 TRP 68 68 68 TRP TRP A . n A 1 69 GLY 69 69 69 GLY GLY A . n A 1 70 GLN 70 70 70 GLN GLN A . n A 1 71 LYS 71 71 71 LYS LYS A . n A 1 72 ALA 72 72 72 ALA ALA A . n A 1 73 LYS 73 73 73 LYS LYS A . n A 1 74 GLU 74 74 74 GLU GLU A . n A 1 75 LEU 75 75 75 LEU LEU A . n A 1 76 TYR 76 76 76 TYR TYR A . n A 1 77 GLU 77 77 77 GLU GLU A . n A 1 78 PRO 78 78 78 PRO PRO A . n A 1 79 ILE 79 79 79 ILE ILE A . n A 1 80 TRP 80 80 80 TRP TRP A . n A 1 81 GLN 81 81 81 GLN GLN A . n A 1 82 GLN 82 82 82 GLN GLN A . n A 1 83 PHE 83 83 83 PHE PHE A . n A 1 84 THR 84 84 84 THR THR A . n A 1 85 ASP 85 85 85 ASP ASP A . n A 1 86 PRO 86 86 86 PRO PRO A . n A 1 87 GLN 87 87 87 GLN GLN A . n A 1 88 LEU 88 88 88 LEU LEU A . n A 1 89 ARG 89 89 89 ARG ARG A . n A 1 90 ARG 90 90 90 ARG ARG A . n A 1 91 ILE 91 91 91 ILE ILE A . n A 1 92 ILE 92 92 92 ILE ILE A . n A 1 93 GLY 93 93 93 GLY GLY A . n A 1 94 ALA 94 94 94 ALA ALA A . n A 1 95 VAL 95 95 95 VAL VAL A . n A 1 96 ARG 96 96 96 ARG ARG A . n A 1 97 THR 97 97 97 THR THR A . n A 1 98 LEU 98 98 98 LEU LEU A . n A 1 99 GLY 99 99 99 GLY GLY A . n A 1 100 SER 100 100 100 SER SER A . n A 1 101 ALA 101 101 101 ALA ALA A . n A 1 102 ASN 102 102 102 ASN ASN A . n A 1 103 LEU 103 103 103 LEU LEU A . n A 1 104 PRO 104 104 104 PRO PRO A . n A 1 105 LEU 105 105 105 LEU LEU A . n A 1 106 ALA 106 106 106 ALA ALA A . n A 1 107 LYS 107 107 107 LYS LYS A . n A 1 108 ARG 108 108 108 ARG ARG A . n A 1 109 GLN 109 109 109 GLN GLN A . n A 1 110 GLN 110 110 110 GLN GLN A . n A 1 111 TYR 111 111 111 TYR TYR A . n A 1 112 ASN 112 112 112 ASN ASN A . n A 1 113 ALA 113 113 113 ALA ALA A . n A 1 114 LEU 114 114 114 LEU LEU A . n A 1 115 LEU 115 115 115 LEU LEU A . n A 1 116 SER 116 116 116 SER SER A . n A 1 117 GLN 117 117 117 GLN GLN A . n A 1 118 MET 118 118 118 MET MET A . n A 1 119 SER 119 119 119 SER SER A . n A 1 120 ARG 120 120 120 ARG ARG A . n A 1 121 ILE 121 121 121 ILE ILE A . n A 1 122 TYR 122 122 122 TYR TYR A . n A 1 123 SER 123 123 123 SER SER A . n A 1 124 THR 124 124 124 THR THR A . n A 1 125 ALA 125 125 125 ALA ALA A . n A 1 126 LYS 126 126 126 LYS LYS A . n A 1 127 VAL 127 127 127 VAL VAL A . n A 1 128 CYS 128 128 128 CYS CYS A . n A 1 129 LEU 129 129 129 LEU LEU A . n A 1 130 PRO 130 130 ? ? ? A . n A 1 131 ASN 131 131 ? ? ? A . n A 1 132 LYS 132 132 132 LYS LYS A . n A 1 133 THR 133 133 133 THR THR A . n A 1 134 ALA 134 134 134 ALA ALA A . n A 1 135 THR 135 135 135 THR THR A . n A 1 136 CYS 136 136 136 CYS CYS A . n A 1 137 TRP 137 137 137 TRP TRP A . n A 1 138 SER 138 138 138 SER SER A . n A 1 139 LEU 139 139 139 LEU LEU A . n A 1 140 ASP 140 140 140 ASP ASP A . n A 1 141 PRO 141 141 141 PRO PRO A . n A 1 142 ASP 142 142 142 ASP ASP A . n A 1 143 LEU 143 143 143 LEU LEU A . n A 1 144 THR 144 144 144 THR THR A . n A 1 145 ASN 145 145 145 ASN ASN A . n A 1 146 ILE 146 146 146 ILE ILE A . n A 1 147 LEU 147 147 147 LEU LEU A . n A 1 148 ALA 148 148 148 ALA ALA A . n A 1 149 SER 149 149 149 SER SER A . n A 1 150 SER 150 150 150 SER SER A . n A 1 151 ARG 151 151 151 ARG ARG A . n A 1 152 SER 152 152 152 SER SER A . n A 1 153 TYR 153 153 153 TYR TYR A . n A 1 154 ALA 154 154 154 ALA ALA A . n A 1 155 MET 155 155 155 MET MET A . n A 1 156 LEU 156 156 156 LEU LEU A . n A 1 157 LEU 157 157 157 LEU LEU A . n A 1 158 PHE 158 158 158 PHE PHE A . n A 1 159 ALA 159 159 159 ALA ALA A . n A 1 160 TRP 160 160 160 TRP TRP A . n A 1 161 GLU 161 161 161 GLU GLU A . n A 1 162 GLY 162 162 162 GLY GLY A . n A 1 163 TRP 163 163 163 TRP TRP A . n A 1 164 HIS 164 164 164 HIS HIS A . n A 1 165 ASN 165 165 165 ASN ASN A . n A 1 166 ALA 166 166 166 ALA ALA A . n A 1 167 ALA 167 167 167 ALA ALA A . n A 1 168 GLY 168 168 168 GLY GLY A . n A 1 169 ILE 169 169 169 ILE ILE A . n A 1 170 PRO 170 170 170 PRO PRO A . n A 1 171 LEU 171 171 171 LEU LEU A . n A 1 172 LYS 172 172 172 LYS LYS A . n A 1 173 PRO 173 173 173 PRO PRO A . n A 1 174 LEU 174 174 174 LEU LEU A . n A 1 175 TYR 175 175 175 TYR TYR A . n A 1 176 GLU 176 176 176 GLU GLU A . n A 1 177 ASP 177 177 177 ASP ASP A . n A 1 178 PHE 178 178 178 PHE PHE A . n A 1 179 THR 179 179 179 THR THR A . n A 1 180 ALA 180 180 180 ALA ALA A . n A 1 181 LEU 181 181 181 LEU LEU A . n A 1 182 SER 182 182 182 SER SER A . n A 1 183 ASN 183 183 183 ASN ASN A . n A 1 184 GLU 184 184 184 GLU GLU A . n A 1 185 ALA 185 185 185 ALA ALA A . n A 1 186 TYR 186 186 186 TYR TYR A . n A 1 187 LYS 187 187 187 LYS LYS A . n A 1 188 GLN 188 188 188 GLN GLN A . n A 1 189 ASP 189 189 189 ASP ASP A . n A 1 190 GLY 190 190 190 GLY GLY A . n A 1 191 PHE 191 191 191 PHE PHE A . n A 1 192 THR 192 192 192 THR THR A . n A 1 193 ASP 193 193 193 ASP ASP A . n A 1 194 THR 194 194 194 THR THR A . n A 1 195 GLY 195 195 195 GLY GLY A . n A 1 196 ALA 196 196 196 ALA ALA A . n A 1 197 TYR 197 197 197 TYR TYR A . n A 1 198 TRP 198 198 198 TRP TRP A . n A 1 199 ARG 199 199 199 ARG ARG A . n A 1 200 SER 200 200 200 SER SER A . n A 1 201 TRP 201 201 201 TRP TRP A . n A 1 202 TYR 202 202 202 TYR TYR A . n A 1 203 ASN 203 203 203 ASN ASN A . n A 1 204 SER 204 204 204 SER SER A . n A 1 205 PRO 205 205 205 PRO PRO A . n A 1 206 THR 206 206 206 THR THR A . n A 1 207 PHE 207 207 207 PHE PHE A . n A 1 208 GLU 208 208 208 GLU GLU A . n A 1 209 ASP 209 209 209 ASP ASP A . n A 1 210 ASP 210 210 210 ASP ASP A . n A 1 211 LEU 211 211 211 LEU LEU A . n A 1 212 GLU 212 212 212 GLU GLU A . n A 1 213 HIS 213 213 213 HIS HIS A . n A 1 214 LEU 214 214 214 LEU LEU A . n A 1 215 TYR 215 215 215 TYR TYR A . n A 1 216 GLN 216 216 216 GLN GLN A . n A 1 217 GLN 217 217 217 GLN GLN A . n A 1 218 LEU 218 218 218 LEU LEU A . n A 1 219 GLU 219 219 219 GLU GLU A . n A 1 220 PRO 220 220 220 PRO PRO A . n A 1 221 LEU 221 221 221 LEU LEU A . n A 1 222 TYR 222 222 222 TYR TYR A . n A 1 223 LEU 223 223 223 LEU LEU A . n A 1 224 ASN 224 224 224 ASN ASN A . n A 1 225 LEU 225 225 225 LEU LEU A . n A 1 226 HIS 226 226 226 HIS HIS A . n A 1 227 ALA 227 227 227 ALA ALA A . n A 1 228 PHE 228 228 228 PHE PHE A . n A 1 229 VAL 229 229 229 VAL VAL A . n A 1 230 ARG 230 230 230 ARG ARG A . n A 1 231 ARG 231 231 231 ARG ARG A . n A 1 232 ALA 232 232 232 ALA ALA A . n A 1 233 LEU 233 233 233 LEU LEU A . n A 1 234 HIS 234 234 234 HIS HIS A . n A 1 235 ARG 235 235 235 ARG ARG A . n A 1 236 ARG 236 236 236 ARG ARG A . n A 1 237 TYR 237 237 237 TYR TYR A . n A 1 238 GLY 238 238 238 GLY GLY A . n A 1 239 ASP 239 239 239 ASP ASP A . n A 1 240 ARG 240 240 240 ARG ARG A . n A 1 241 TYR 241 241 241 TYR TYR A . n A 1 242 ILE 242 242 242 ILE ILE A . n A 1 243 ASN 243 243 243 ASN ASN A . n A 1 244 LEU 244 244 244 LEU LEU A . n A 1 245 ARG 245 245 245 ARG ARG A . n A 1 246 GLY 246 246 246 GLY GLY A . n A 1 247 PRO 247 247 247 PRO PRO A . n A 1 248 ILE 248 248 248 ILE ILE A . n A 1 249 PRO 249 249 249 PRO PRO A . n A 1 250 ALA 250 250 250 ALA ALA A . n A 1 251 HIS 251 251 251 HIS HIS A . n A 1 252 LEU 252 252 252 LEU LEU A . n A 1 253 LEU 253 253 253 LEU LEU A . n A 1 254 GLY 254 254 254 GLY GLY A . n A 1 255 ASP 255 255 255 ASP ASP A . n A 1 256 MET 256 256 256 MET MET A . n A 1 257 TRP 257 257 257 TRP TRP A . n A 1 258 ALA 258 258 258 ALA ALA A . n A 1 259 GLN 259 259 259 GLN GLN A . n A 1 260 SER 260 260 260 SER SER A . n A 1 261 TRP 261 261 261 TRP TRP A . n A 1 262 GLU 262 262 262 GLU GLU A . n A 1 263 ASN 263 263 263 ASN ASN A . n A 1 264 ILE 264 264 264 ILE ILE A . n A 1 265 TYR 265 265 265 TYR TYR A . n A 1 266 ASP 266 266 266 ASP ASP A . n A 1 267 MET 267 267 267 MET MET A . n A 1 268 VAL 268 268 268 VAL VAL A . n A 1 269 VAL 269 269 269 VAL VAL A . n A 1 270 PRO 270 270 270 PRO PRO A . n A 1 271 PHE 271 271 271 PHE PHE A . n A 1 272 PRO 272 272 272 PRO PRO A . n A 1 273 ASP 273 273 273 ASP ASP A . n A 1 274 LYS 274 274 274 LYS LYS A . n A 1 275 PRO 275 275 275 PRO PRO A . n A 1 276 ASN 276 276 276 ASN ASN A . n A 1 277 LEU 277 277 277 LEU LEU A . n A 1 278 ASP 278 278 278 ASP ASP A . n A 1 279 VAL 279 279 279 VAL VAL A . n A 1 280 THR 280 280 280 THR THR A . n A 1 281 SER 281 281 281 SER SER A . n A 1 282 THR 282 282 282 THR THR A . n A 1 283 MET 283 283 283 MET MET A . n A 1 284 LEU 284 284 284 LEU LEU A . n A 1 285 GLN 285 285 285 GLN GLN A . n A 1 286 GLN 286 286 286 GLN GLN A . n A 1 287 GLY 287 287 287 GLY GLY A . n A 1 288 TRP 288 288 288 TRP TRP A . n A 1 289 GLN 289 289 289 GLN GLN A . n A 1 290 ALA 290 290 290 ALA ALA A . n A 1 291 THR 291 291 291 THR THR A . n A 1 292 HIS 292 292 292 HIS HIS A . n A 1 293 MET 293 293 293 MET MET A . n A 1 294 PHE 294 294 294 PHE PHE A . n A 1 295 ARG 295 295 295 ARG ARG A . n A 1 296 VAL 296 296 296 VAL VAL A . n A 1 297 ALA 297 297 297 ALA ALA A . n A 1 298 GLU 298 298 298 GLU GLU A . n A 1 299 GLU 299 299 299 GLU GLU A . n A 1 300 PHE 300 300 300 PHE PHE A . n A 1 301 PHE 301 301 301 PHE PHE A . n A 1 302 THR 302 302 302 THR THR A . n A 1 303 SER 303 303 303 SER SER A . n A 1 304 LEU 304 304 304 LEU LEU A . n A 1 305 GLU 305 305 305 GLU GLU A . n A 1 306 LEU 306 306 306 LEU LEU A . n A 1 307 SER 307 307 307 SER SER A . n A 1 308 PRO 308 308 308 PRO PRO A . n A 1 309 MET 309 309 309 MET MET A . n A 1 310 PRO 310 310 310 PRO PRO A . n A 1 311 PRO 311 311 311 PRO PRO A . n A 1 312 GLU 312 312 312 GLU GLU A . n A 1 313 PHE 313 313 313 PHE PHE A . n A 1 314 TRP 314 314 314 TRP TRP A . n A 1 315 GLU 315 315 315 GLU GLU A . n A 1 316 GLY 316 316 316 GLY GLY A . n A 1 317 SER 317 317 317 SER SER A . n A 1 318 MET 318 318 318 MET MET A . n A 1 319 LEU 319 319 319 LEU LEU A . n A 1 320 GLU 320 320 320 GLU GLU A . n A 1 321 LYS 321 321 321 LYS LYS A . n A 1 322 PRO 322 322 322 PRO PRO A . n A 1 323 ALA 323 323 323 ALA ALA A . n A 1 324 ASP 324 324 324 ASP ASP A . n A 1 325 GLY 325 325 325 GLY GLY A . n A 1 326 ARG 326 326 326 ARG ARG A . n A 1 327 GLU 327 327 327 GLU GLU A . n A 1 328 VAL 328 328 328 VAL VAL A . n A 1 329 VAL 329 329 329 VAL VAL A . n A 1 330 CYS 330 330 330 CYS CYS A . n A 1 331 HIS 331 331 331 HIS HIS A . n A 1 332 ALA 332 332 332 ALA ALA A . n A 1 333 SER 333 333 333 SER SER A . n A 1 334 ALA 334 334 334 ALA ALA A . n A 1 335 TRP 335 335 335 TRP TRP A . n A 1 336 ASP 336 336 336 ASP ASP A . n A 1 337 PHE 337 337 337 PHE PHE A . n A 1 338 TYR 338 338 338 TYR TYR A . n A 1 339 ASN 339 339 339 ASN ASN A . n A 1 340 ARG 340 340 340 ARG ARG A . n A 1 341 LYS 341 341 341 LYS LYS A . n A 1 342 ASP 342 342 342 ASP ASP A . n A 1 343 PHE 343 343 343 PHE PHE A . n A 1 344 ARG 344 344 344 ARG ARG A . n A 1 345 ILE 345 345 345 ILE ILE A . n A 1 346 LYS 346 346 346 LYS LYS A . n A 1 347 GLN 347 347 347 GLN GLN A . n A 1 348 CYS 348 348 348 CYS CYS A . n A 1 349 THR 349 349 349 THR THR A . n A 1 350 ARG 350 350 350 ARG ARG A . n A 1 351 VAL 351 351 351 VAL VAL A . n A 1 352 THR 352 352 352 THR THR A . n A 1 353 MET 353 353 353 MET MET A . n A 1 354 ASP 354 354 354 ASP ASP A . n A 1 355 GLN 355 355 355 GLN GLN A . n A 1 356 LEU 356 356 356 LEU LEU A . n A 1 357 SER 357 357 357 SER SER A . n A 1 358 THR 358 358 358 THR THR A . n A 1 359 VAL 359 359 359 VAL VAL A . n A 1 360 HIS 360 360 360 HIS HIS A . n A 1 361 HIS 361 361 361 HIS HIS A . n A 1 362 GLU 362 362 362 GLU GLU A . n A 1 363 MET 363 363 363 MET MET A . n A 1 364 GLY 364 364 364 GLY GLY A . n A 1 365 HIS 365 365 365 HIS HIS A . n A 1 366 ILE 366 366 366 ILE ILE A . n A 1 367 GLN 367 367 367 GLN GLN A . n A 1 368 TYR 368 368 368 TYR TYR A . n A 1 369 TYR 369 369 369 TYR TYR A . n A 1 370 LEU 370 370 370 LEU LEU A . n A 1 371 GLN 371 371 371 GLN GLN A . n A 1 372 TYR 372 372 372 TYR TYR A . n A 1 373 LYS 373 373 373 LYS LYS A . n A 1 374 ASP 374 374 374 ASP ASP A . n A 1 375 LEU 375 375 375 LEU LEU A . n A 1 376 PRO 376 376 376 PRO PRO A . n A 1 377 VAL 377 377 377 VAL VAL A . n A 1 378 SER 378 378 378 SER SER A . n A 1 379 LEU 379 379 379 LEU LEU A . n A 1 380 ARG 380 380 380 ARG ARG A . n A 1 381 ARG 381 381 381 ARG ARG A . n A 1 382 GLY 382 382 382 GLY GLY A . n A 1 383 ALA 383 383 383 ALA ALA A . n A 1 384 ASN 384 384 384 ASN ASN A . n A 1 385 PRO 385 385 385 PRO PRO A . n A 1 386 GLY 386 386 386 GLY GLY A . n A 1 387 PHE 387 387 387 PHE PHE A . n A 1 388 HIS 388 388 388 HIS HIS A . n A 1 389 GLU 389 389 389 GLU GLU A . n A 1 390 ALA 390 390 390 ALA ALA A . n A 1 391 ILE 391 391 391 ILE ILE A . n A 1 392 GLY 392 392 392 GLY GLY A . n A 1 393 ASP 393 393 393 ASP ASP A . n A 1 394 VAL 394 394 394 VAL VAL A . n A 1 395 LEU 395 395 395 LEU LEU A . n A 1 396 ALA 396 396 396 ALA ALA A . n A 1 397 LEU 397 397 397 LEU LEU A . n A 1 398 SER 398 398 398 SER SER A . n A 1 399 VAL 399 399 399 VAL VAL A . n A 1 400 SER 400 400 400 SER SER A . n A 1 401 THR 401 401 401 THR THR A . n A 1 402 PRO 402 402 402 PRO PRO A . n A 1 403 GLU 403 403 403 GLU GLU A . n A 1 404 HIS 404 404 404 HIS HIS A . n A 1 405 LEU 405 405 405 LEU LEU A . n A 1 406 HIS 406 406 406 HIS HIS A . n A 1 407 LYS 407 407 407 LYS LYS A . n A 1 408 ILE 408 408 408 ILE ILE A . n A 1 409 GLY 409 409 409 GLY GLY A . n A 1 410 LEU 410 410 410 LEU LEU A . n A 1 411 LEU 411 411 411 LEU LEU A . n A 1 412 ASP 412 412 412 ASP ASP A . n A 1 413 ARG 413 413 413 ARG ARG A . n A 1 414 VAL 414 414 414 VAL VAL A . n A 1 415 THR 415 415 415 THR THR A . n A 1 416 ASN 416 416 416 ASN ASN A . n A 1 417 ASP 417 417 417 ASP ASP A . n A 1 418 THR 418 418 418 THR THR A . n A 1 419 GLU 419 419 419 GLU GLU A . n A 1 420 SER 420 420 420 SER SER A . n A 1 421 ASP 421 421 421 ASP ASP A . n A 1 422 ILE 422 422 422 ILE ILE A . n A 1 423 ASN 423 423 423 ASN ASN A . n A 1 424 TYR 424 424 424 TYR TYR A . n A 1 425 LEU 425 425 425 LEU LEU A . n A 1 426 LEU 426 426 426 LEU LEU A . n A 1 427 LYS 427 427 427 LYS LYS A . n A 1 428 MET 428 428 428 MET MET A . n A 1 429 ALA 429 429 429 ALA ALA A . n A 1 430 LEU 430 430 430 LEU LEU A . n A 1 431 GLU 431 431 431 GLU GLU A . n A 1 432 LYS 432 432 432 LYS LYS A . n A 1 433 ILE 433 433 433 ILE ILE A . n A 1 434 ALA 434 434 434 ALA ALA A . n A 1 435 PHE 435 435 435 PHE PHE A . n A 1 436 LEU 436 436 436 LEU LEU A . n A 1 437 PRO 437 437 437 PRO PRO A . n A 1 438 PHE 438 438 438 PHE PHE A . n A 1 439 GLY 439 439 439 GLY GLY A . n A 1 440 TYR 440 440 440 TYR TYR A . n A 1 441 LEU 441 441 441 LEU LEU A . n A 1 442 VAL 442 442 442 VAL VAL A . n A 1 443 ASP 443 443 443 ASP ASP A . n A 1 444 GLN 444 444 444 GLN GLN A . n A 1 445 TRP 445 445 445 TRP TRP A . n A 1 446 ARG 446 446 446 ARG ARG A . n A 1 447 TRP 447 447 447 TRP TRP A . n A 1 448 GLY 448 448 448 GLY GLY A . n A 1 449 VAL 449 449 449 VAL VAL A . n A 1 450 PHE 450 450 450 PHE PHE A . n A 1 451 SER 451 451 451 SER SER A . n A 1 452 GLY 452 452 452 GLY GLY A . n A 1 453 ARG 453 453 453 ARG ARG A . n A 1 454 THR 454 454 454 THR THR A . n A 1 455 PRO 455 455 455 PRO PRO A . n A 1 456 PRO 456 456 456 PRO PRO A . n A 1 457 SER 457 457 457 SER SER A . n A 1 458 ARG 458 458 458 ARG ARG A . n A 1 459 TYR 459 459 459 TYR TYR A . n A 1 460 ASN 460 460 460 ASN ASN A . n A 1 461 PHE 461 461 461 PHE PHE A . n A 1 462 ASP 462 462 462 ASP ASP A . n A 1 463 TRP 463 463 463 TRP TRP A . n A 1 464 TRP 464 464 464 TRP TRP A . n A 1 465 TYR 465 465 465 TYR TYR A . n A 1 466 LEU 466 466 466 LEU LEU A . n A 1 467 ARG 467 467 467 ARG ARG A . n A 1 468 THR 468 468 468 THR THR A . n A 1 469 LYS 469 469 469 LYS LYS A . n A 1 470 TYR 470 470 470 TYR TYR A . n A 1 471 GLN 471 471 471 GLN GLN A . n A 1 472 GLY 472 472 472 GLY GLY A . n A 1 473 ILE 473 473 473 ILE ILE A . n A 1 474 CYS 474 474 474 CYS CYS A . n A 1 475 PRO 475 475 475 PRO PRO A . n A 1 476 PRO 476 476 476 PRO PRO A . n A 1 477 VAL 477 477 477 VAL VAL A . n A 1 478 THR 478 478 478 THR THR A . n A 1 479 ARG 479 479 479 ARG ARG A . n A 1 480 ASN 480 480 480 ASN ASN A . n A 1 481 GLU 481 481 481 GLU GLU A . n A 1 482 THR 482 482 482 THR THR A . n A 1 483 HIS 483 483 483 HIS HIS A . n A 1 484 PHE 484 484 484 PHE PHE A . n A 1 485 ASP 485 485 485 ASP ASP A . n A 1 486 ALA 486 486 486 ALA ALA A . n A 1 487 GLY 487 487 487 GLY GLY A . n A 1 488 ALA 488 488 488 ALA ALA A . n A 1 489 LYS 489 489 489 LYS LYS A . n A 1 490 PHE 490 490 490 PHE PHE A . n A 1 491 HIS 491 491 491 HIS HIS A . n A 1 492 VAL 492 492 492 VAL VAL A . n A 1 493 PRO 493 493 493 PRO PRO A . n A 1 494 ASN 494 494 494 ASN ASN A . n A 1 495 VAL 495 495 495 VAL VAL A . n A 1 496 THR 496 496 496 THR THR A . n A 1 497 PRO 497 497 497 PRO PRO A . n A 1 498 TYR 498 498 498 TYR TYR A . n A 1 499 ILE 499 499 499 ILE ILE A . n A 1 500 ARG 500 500 500 ARG ARG A . n A 1 501 TYR 501 501 501 TYR TYR A . n A 1 502 PHE 502 502 502 PHE PHE A . n A 1 503 VAL 503 503 503 VAL VAL A . n A 1 504 SER 504 504 504 SER SER A . n A 1 505 PHE 505 505 505 PHE PHE A . n A 1 506 VAL 506 506 506 VAL VAL A . n A 1 507 LEU 507 507 507 LEU LEU A . n A 1 508 GLN 508 508 508 GLN GLN A . n A 1 509 PHE 509 509 509 PHE PHE A . n A 1 510 GLN 510 510 510 GLN GLN A . n A 1 511 PHE 511 511 511 PHE PHE A . n A 1 512 HIS 512 512 512 HIS HIS A . n A 1 513 GLU 513 513 513 GLU GLU A . n A 1 514 ALA 514 514 514 ALA ALA A . n A 1 515 LEU 515 515 515 LEU LEU A . n A 1 516 CYS 516 516 516 CYS CYS A . n A 1 517 LYS 517 517 517 LYS LYS A . n A 1 518 GLU 518 518 518 GLU GLU A . n A 1 519 ALA 519 519 519 ALA ALA A . n A 1 520 GLY 520 520 520 GLY GLY A . n A 1 521 TYR 521 521 521 TYR TYR A . n A 1 522 GLU 522 522 522 GLU GLU A . n A 1 523 GLY 523 523 523 GLY GLY A . n A 1 524 PRO 524 524 524 PRO PRO A . n A 1 525 LEU 525 525 525 LEU LEU A . n A 1 526 HIS 526 526 526 HIS HIS A . n A 1 527 GLN 527 527 527 GLN GLN A . n A 1 528 CYS 528 528 528 CYS CYS A . n A 1 529 ASP 529 529 529 ASP ASP A . n A 1 530 ILE 530 530 530 ILE ILE A . n A 1 531 TYR 531 531 531 TYR TYR A . n A 1 532 ARG 532 532 532 ARG ARG A . n A 1 533 SER 533 533 533 SER SER A . n A 1 534 THR 534 534 534 THR THR A . n A 1 535 LYS 535 535 535 LYS LYS A . n A 1 536 ALA 536 536 536 ALA ALA A . n A 1 537 GLY 537 537 537 GLY GLY A . n A 1 538 ALA 538 538 538 ALA ALA A . n A 1 539 LYS 539 539 539 LYS LYS A . n A 1 540 LEU 540 540 540 LEU LEU A . n A 1 541 ARG 541 541 541 ARG ARG A . n A 1 542 LYS 542 542 542 LYS LYS A . n A 1 543 VAL 543 543 543 VAL VAL A . n A 1 544 LEU 544 544 544 LEU LEU A . n A 1 545 ARG 545 545 545 ARG ARG A . n A 1 546 ALA 546 546 546 ALA ALA A . n A 1 547 GLY 547 547 547 GLY GLY A . n A 1 548 SER 548 548 548 SER SER A . n A 1 549 SER 549 549 549 SER SER A . n A 1 550 ARG 550 550 550 ARG ARG A . n A 1 551 PRO 551 551 551 PRO PRO A . n A 1 552 TRP 552 552 552 TRP TRP A . n A 1 553 GLN 553 553 553 GLN GLN A . n A 1 554 GLU 554 554 554 GLU GLU A . n A 1 555 VAL 555 555 555 VAL VAL A . n A 1 556 LEU 556 556 556 LEU LEU A . n A 1 557 LYS 557 557 557 LYS LYS A . n A 1 558 ASP 558 558 558 ASP ASP A . n A 1 559 MET 559 559 559 MET MET A . n A 1 560 VAL 560 560 560 VAL VAL A . n A 1 561 GLY 561 561 561 GLY GLY A . n A 1 562 LEU 562 562 562 LEU LEU A . n A 1 563 ASP 563 563 563 ASP ASP A . n A 1 564 ALA 564 564 564 ALA ALA A . n A 1 565 LEU 565 565 565 LEU LEU A . n A 1 566 ASP 566 566 566 ASP ASP A . n A 1 567 ALA 567 567 567 ALA ALA A . n A 1 568 GLN 568 568 568 GLN GLN A . n A 1 569 PRO 569 569 569 PRO PRO A . n A 1 570 LEU 570 570 570 LEU LEU A . n A 1 571 LEU 571 571 571 LEU LEU A . n A 1 572 LYS 572 572 572 LYS LYS A . n A 1 573 TYR 573 573 573 TYR TYR A . n A 1 574 PHE 574 574 574 PHE PHE A . n A 1 575 GLN 575 575 575 GLN GLN A . n A 1 576 LEU 576 576 576 LEU LEU A . n A 1 577 VAL 577 577 577 VAL VAL A . n A 1 578 THR 578 578 578 THR THR A . n A 1 579 GLN 579 579 579 GLN GLN A . n A 1 580 TRP 580 580 580 TRP TRP A . n A 1 581 LEU 581 581 581 LEU LEU A . n A 1 582 GLN 582 582 582 GLN GLN A . n A 1 583 GLU 583 583 583 GLU GLU A . n A 1 584 GLN 584 584 584 GLN GLN A . n A 1 585 ASN 585 585 585 ASN ASN A . n A 1 586 GLN 586 586 586 GLN GLN A . n A 1 587 GLN 587 587 587 GLN GLN A . n A 1 588 ASN 588 588 588 ASN ASN A . n A 1 589 GLY 589 589 589 GLY GLY A . n A 1 590 GLU 590 590 590 GLU GLU A . n A 1 591 VAL 591 591 591 VAL VAL A . n A 1 592 LEU 592 592 592 LEU LEU A . n A 1 593 GLY 593 593 593 GLY GLY A . n A 1 594 TRP 594 594 594 TRP TRP A . n A 1 595 PRO 595 595 595 PRO PRO A . n A 1 596 GLU 596 596 596 GLU GLU A . n A 1 597 TYR 597 597 597 TYR TYR A . n A 1 598 GLN 598 598 598 GLN GLN A . n A 1 599 TRP 599 599 599 TRP TRP A . n A 1 600 HIS 600 600 600 HIS HIS A . n A 1 601 PRO 601 601 601 PRO PRO A . n A 1 602 PRO 602 602 602 PRO PRO A . n A 1 603 LEU 603 603 603 LEU LEU A . n A 1 604 PRO 604 604 604 PRO PRO A . n A 1 605 ASP 605 605 605 ASP ASP A . n A 1 606 ASN 606 606 606 ASN ASN A . n A 1 607 TYR 607 607 607 TYR TYR A . n A 1 608 PRO 608 608 608 PRO PRO A . n A 1 609 GLU 609 609 609 GLU GLU A . n A 1 610 GLY 610 610 610 GLY GLY A . n B 1 1 LEU 1 1 1 LEU LEU B . n B 1 2 ASP 2 2 2 ASP ASP B . n B 1 3 PRO 3 3 3 PRO PRO B . n B 1 4 GLY 4 4 4 GLY GLY B . n B 1 5 LEU 5 5 5 LEU LEU B . n B 1 6 GLN 6 6 6 GLN GLN B . n B 1 7 PRO 7 7 7 PRO PRO B . n B 1 8 GLY 8 8 8 GLY GLY B . n B 1 9 GLN 9 9 9 GLN GLN B . n B 1 10 PHE 10 10 10 PHE PHE B . n B 1 11 SER 11 11 11 SER SER B . n B 1 12 ALA 12 12 12 ALA ALA B . n B 1 13 ASP 13 13 13 ASP ASP B . n B 1 14 GLU 14 14 14 GLU GLU B . n B 1 15 ALA 15 15 15 ALA ALA B . n B 1 16 GLY 16 16 16 GLY GLY B . n B 1 17 ALA 17 17 17 ALA ALA B . n B 1 18 GLN 18 18 18 GLN GLN B . n B 1 19 LEU 19 19 19 LEU LEU B . n B 1 20 PHE 20 20 20 PHE PHE B . n B 1 21 ALA 21 21 21 ALA ALA B . n B 1 22 GLN 22 22 22 GLN GLN B . n B 1 23 SER 23 23 23 SER SER B . n B 1 24 TYR 24 24 24 TYR TYR B . n B 1 25 GLN 25 25 25 GLN GLN B . n B 1 26 SER 26 26 26 SER SER B . n B 1 27 SER 27 27 27 SER SER B . n B 1 28 ALA 28 28 28 ALA ALA B . n B 1 29 GLU 29 29 29 GLU GLU B . n B 1 30 GLN 30 30 30 GLN GLN B . n B 1 31 VAL 31 31 31 VAL VAL B . n B 1 32 LEU 32 32 32 LEU LEU B . n B 1 33 PHE 33 33 33 PHE PHE B . n B 1 34 GLN 34 34 34 GLN GLN B . n B 1 35 SER 35 35 35 SER SER B . n B 1 36 VAL 36 36 36 VAL VAL B . n B 1 37 ALA 37 37 37 ALA ALA B . n B 1 38 ALA 38 38 38 ALA ALA B . n B 1 39 SER 39 39 39 SER SER B . n B 1 40 TRP 40 40 40 TRP TRP B . n B 1 41 ALA 41 41 41 ALA ALA B . n B 1 42 HIS 42 42 42 HIS HIS B . n B 1 43 ASP 43 43 43 ASP ASP B . n B 1 44 THR 44 44 44 THR THR B . n B 1 45 ASN 45 45 45 ASN ASN B . n B 1 46 ILE 46 46 46 ILE ILE B . n B 1 47 THR 47 47 47 THR THR B . n B 1 48 ALA 48 48 48 ALA ALA B . n B 1 49 GLU 49 49 49 GLU GLU B . n B 1 50 ASN 50 50 50 ASN ASN B . n B 1 51 ALA 51 51 51 ALA ALA B . n B 1 52 ARG 52 52 52 ARG ARG B . n B 1 53 ARG 53 53 53 ARG ARG B . n B 1 54 GLN 54 54 54 GLN GLN B . n B 1 55 GLU 55 55 55 GLU GLU B . n B 1 56 GLU 56 56 56 GLU GLU B . n B 1 57 ALA 57 57 57 ALA ALA B . n B 1 58 ALA 58 58 58 ALA ALA B . n B 1 59 LEU 59 59 59 LEU LEU B . n B 1 60 LEU 60 60 60 LEU LEU B . n B 1 61 SER 61 61 61 SER SER B . n B 1 62 GLN 62 62 62 GLN GLN B . n B 1 63 GLU 63 63 63 GLU GLU B . n B 1 64 PHE 64 64 64 PHE PHE B . n B 1 65 ALA 65 65 65 ALA ALA B . n B 1 66 GLU 66 66 66 GLU GLU B . n B 1 67 ALA 67 67 67 ALA ALA B . n B 1 68 TRP 68 68 68 TRP TRP B . n B 1 69 GLY 69 69 69 GLY GLY B . n B 1 70 GLN 70 70 70 GLN GLN B . n B 1 71 LYS 71 71 71 LYS LYS B . n B 1 72 ALA 72 72 72 ALA ALA B . n B 1 73 LYS 73 73 73 LYS LYS B . n B 1 74 GLU 74 74 74 GLU GLU B . n B 1 75 LEU 75 75 75 LEU LEU B . n B 1 76 TYR 76 76 76 TYR TYR B . n B 1 77 GLU 77 77 77 GLU GLU B . n B 1 78 PRO 78 78 78 PRO PRO B . n B 1 79 ILE 79 79 79 ILE ILE B . n B 1 80 TRP 80 80 80 TRP TRP B . n B 1 81 GLN 81 81 81 GLN GLN B . n B 1 82 GLN 82 82 82 GLN GLN B . n B 1 83 PHE 83 83 83 PHE PHE B . n B 1 84 THR 84 84 84 THR THR B . n B 1 85 ASP 85 85 85 ASP ASP B . n B 1 86 PRO 86 86 86 PRO PRO B . n B 1 87 GLN 87 87 87 GLN GLN B . n B 1 88 LEU 88 88 88 LEU LEU B . n B 1 89 ARG 89 89 89 ARG ARG B . n B 1 90 ARG 90 90 90 ARG ARG B . n B 1 91 ILE 91 91 91 ILE ILE B . n B 1 92 ILE 92 92 92 ILE ILE B . n B 1 93 GLY 93 93 93 GLY GLY B . n B 1 94 ALA 94 94 94 ALA ALA B . n B 1 95 VAL 95 95 95 VAL VAL B . n B 1 96 ARG 96 96 96 ARG ARG B . n B 1 97 THR 97 97 97 THR THR B . n B 1 98 LEU 98 98 98 LEU LEU B . n B 1 99 GLY 99 99 99 GLY GLY B . n B 1 100 SER 100 100 100 SER SER B . n B 1 101 ALA 101 101 101 ALA ALA B . n B 1 102 ASN 102 102 102 ASN ASN B . n B 1 103 LEU 103 103 103 LEU LEU B . n B 1 104 PRO 104 104 104 PRO PRO B . n B 1 105 LEU 105 105 105 LEU LEU B . n B 1 106 ALA 106 106 106 ALA ALA B . n B 1 107 LYS 107 107 107 LYS LYS B . n B 1 108 ARG 108 108 108 ARG ARG B . n B 1 109 GLN 109 109 109 GLN GLN B . n B 1 110 GLN 110 110 110 GLN GLN B . n B 1 111 TYR 111 111 111 TYR TYR B . n B 1 112 ASN 112 112 112 ASN ASN B . n B 1 113 ALA 113 113 113 ALA ALA B . n B 1 114 LEU 114 114 114 LEU LEU B . n B 1 115 LEU 115 115 115 LEU LEU B . n B 1 116 SER 116 116 116 SER SER B . n B 1 117 GLN 117 117 117 GLN GLN B . n B 1 118 MET 118 118 118 MET MET B . n B 1 119 SER 119 119 119 SER SER B . n B 1 120 ARG 120 120 120 ARG ARG B . n B 1 121 ILE 121 121 121 ILE ILE B . n B 1 122 TYR 122 122 122 TYR TYR B . n B 1 123 SER 123 123 123 SER SER B . n B 1 124 THR 124 124 124 THR THR B . n B 1 125 ALA 125 125 125 ALA ALA B . n B 1 126 LYS 126 126 126 LYS LYS B . n B 1 127 VAL 127 127 127 VAL VAL B . n B 1 128 CYS 128 128 128 CYS CYS B . n B 1 129 LEU 129 129 129 LEU LEU B . n B 1 130 PRO 130 130 130 PRO PRO B . n B 1 131 ASN 131 131 ? ? ? B . n B 1 132 LYS 132 132 ? ? ? B . n B 1 133 THR 133 133 133 THR THR B . n B 1 134 ALA 134 134 134 ALA ALA B . n B 1 135 THR 135 135 135 THR THR B . n B 1 136 CYS 136 136 136 CYS CYS B . n B 1 137 TRP 137 137 137 TRP TRP B . n B 1 138 SER 138 138 138 SER SER B . n B 1 139 LEU 139 139 139 LEU LEU B . n B 1 140 ASP 140 140 140 ASP ASP B . n B 1 141 PRO 141 141 141 PRO PRO B . n B 1 142 ASP 142 142 142 ASP ASP B . n B 1 143 LEU 143 143 143 LEU LEU B . n B 1 144 THR 144 144 144 THR THR B . n B 1 145 ASN 145 145 145 ASN ASN B . n B 1 146 ILE 146 146 146 ILE ILE B . n B 1 147 LEU 147 147 147 LEU LEU B . n B 1 148 ALA 148 148 148 ALA ALA B . n B 1 149 SER 149 149 149 SER SER B . n B 1 150 SER 150 150 150 SER SER B . n B 1 151 ARG 151 151 151 ARG ARG B . n B 1 152 SER 152 152 152 SER SER B . n B 1 153 TYR 153 153 153 TYR TYR B . n B 1 154 ALA 154 154 154 ALA ALA B . n B 1 155 MET 155 155 155 MET MET B . n B 1 156 LEU 156 156 156 LEU LEU B . n B 1 157 LEU 157 157 157 LEU LEU B . n B 1 158 PHE 158 158 158 PHE PHE B . n B 1 159 ALA 159 159 159 ALA ALA B . n B 1 160 TRP 160 160 160 TRP TRP B . n B 1 161 GLU 161 161 161 GLU GLU B . n B 1 162 GLY 162 162 162 GLY GLY B . n B 1 163 TRP 163 163 163 TRP TRP B . n B 1 164 HIS 164 164 164 HIS HIS B . n B 1 165 ASN 165 165 165 ASN ASN B . n B 1 166 ALA 166 166 166 ALA ALA B . n B 1 167 ALA 167 167 167 ALA ALA B . n B 1 168 GLY 168 168 168 GLY GLY B . n B 1 169 ILE 169 169 169 ILE ILE B . n B 1 170 PRO 170 170 170 PRO PRO B . n B 1 171 LEU 171 171 171 LEU LEU B . n B 1 172 LYS 172 172 172 LYS LYS B . n B 1 173 PRO 173 173 173 PRO PRO B . n B 1 174 LEU 174 174 174 LEU LEU B . n B 1 175 TYR 175 175 175 TYR TYR B . n B 1 176 GLU 176 176 176 GLU GLU B . n B 1 177 ASP 177 177 177 ASP ASP B . n B 1 178 PHE 178 178 178 PHE PHE B . n B 1 179 THR 179 179 179 THR THR B . n B 1 180 ALA 180 180 180 ALA ALA B . n B 1 181 LEU 181 181 181 LEU LEU B . n B 1 182 SER 182 182 182 SER SER B . n B 1 183 ASN 183 183 183 ASN ASN B . n B 1 184 GLU 184 184 184 GLU GLU B . n B 1 185 ALA 185 185 185 ALA ALA B . n B 1 186 TYR 186 186 186 TYR TYR B . n B 1 187 LYS 187 187 187 LYS LYS B . n B 1 188 GLN 188 188 188 GLN GLN B . n B 1 189 ASP 189 189 189 ASP ASP B . n B 1 190 GLY 190 190 190 GLY GLY B . n B 1 191 PHE 191 191 191 PHE PHE B . n B 1 192 THR 192 192 192 THR THR B . n B 1 193 ASP 193 193 193 ASP ASP B . n B 1 194 THR 194 194 194 THR THR B . n B 1 195 GLY 195 195 195 GLY GLY B . n B 1 196 ALA 196 196 196 ALA ALA B . n B 1 197 TYR 197 197 197 TYR TYR B . n B 1 198 TRP 198 198 198 TRP TRP B . n B 1 199 ARG 199 199 199 ARG ARG B . n B 1 200 SER 200 200 200 SER SER B . n B 1 201 TRP 201 201 201 TRP TRP B . n B 1 202 TYR 202 202 202 TYR TYR B . n B 1 203 ASN 203 203 203 ASN ASN B . n B 1 204 SER 204 204 204 SER SER B . n B 1 205 PRO 205 205 205 PRO PRO B . n B 1 206 THR 206 206 206 THR THR B . n B 1 207 PHE 207 207 207 PHE PHE B . n B 1 208 GLU 208 208 208 GLU GLU B . n B 1 209 ASP 209 209 209 ASP ASP B . n B 1 210 ASP 210 210 210 ASP ASP B . n B 1 211 LEU 211 211 211 LEU LEU B . n B 1 212 GLU 212 212 212 GLU GLU B . n B 1 213 HIS 213 213 213 HIS HIS B . n B 1 214 LEU 214 214 214 LEU LEU B . n B 1 215 TYR 215 215 215 TYR TYR B . n B 1 216 GLN 216 216 216 GLN GLN B . n B 1 217 GLN 217 217 217 GLN GLN B . n B 1 218 LEU 218 218 218 LEU LEU B . n B 1 219 GLU 219 219 219 GLU GLU B . n B 1 220 PRO 220 220 220 PRO PRO B . n B 1 221 LEU 221 221 221 LEU LEU B . n B 1 222 TYR 222 222 222 TYR TYR B . n B 1 223 LEU 223 223 223 LEU LEU B . n B 1 224 ASN 224 224 224 ASN ASN B . n B 1 225 LEU 225 225 225 LEU LEU B . n B 1 226 HIS 226 226 226 HIS HIS B . n B 1 227 ALA 227 227 227 ALA ALA B . n B 1 228 PHE 228 228 228 PHE PHE B . n B 1 229 VAL 229 229 229 VAL VAL B . n B 1 230 ARG 230 230 230 ARG ARG B . n B 1 231 ARG 231 231 231 ARG ARG B . n B 1 232 ALA 232 232 232 ALA ALA B . n B 1 233 LEU 233 233 233 LEU LEU B . n B 1 234 HIS 234 234 234 HIS HIS B . n B 1 235 ARG 235 235 235 ARG ARG B . n B 1 236 ARG 236 236 236 ARG ARG B . n B 1 237 TYR 237 237 237 TYR TYR B . n B 1 238 GLY 238 238 238 GLY GLY B . n B 1 239 ASP 239 239 239 ASP ASP B . n B 1 240 ARG 240 240 240 ARG ARG B . n B 1 241 TYR 241 241 241 TYR TYR B . n B 1 242 ILE 242 242 242 ILE ILE B . n B 1 243 ASN 243 243 243 ASN ASN B . n B 1 244 LEU 244 244 244 LEU LEU B . n B 1 245 ARG 245 245 245 ARG ARG B . n B 1 246 GLY 246 246 246 GLY GLY B . n B 1 247 PRO 247 247 247 PRO PRO B . n B 1 248 ILE 248 248 248 ILE ILE B . n B 1 249 PRO 249 249 249 PRO PRO B . n B 1 250 ALA 250 250 250 ALA ALA B . n B 1 251 HIS 251 251 251 HIS HIS B . n B 1 252 LEU 252 252 252 LEU LEU B . n B 1 253 LEU 253 253 253 LEU LEU B . n B 1 254 GLY 254 254 254 GLY GLY B . n B 1 255 ASP 255 255 255 ASP ASP B . n B 1 256 MET 256 256 256 MET MET B . n B 1 257 TRP 257 257 257 TRP TRP B . n B 1 258 ALA 258 258 258 ALA ALA B . n B 1 259 GLN 259 259 259 GLN GLN B . n B 1 260 SER 260 260 260 SER SER B . n B 1 261 TRP 261 261 261 TRP TRP B . n B 1 262 GLU 262 262 262 GLU GLU B . n B 1 263 ASN 263 263 263 ASN ASN B . n B 1 264 ILE 264 264 264 ILE ILE B . n B 1 265 TYR 265 265 265 TYR TYR B . n B 1 266 ASP 266 266 266 ASP ASP B . n B 1 267 MET 267 267 267 MET MET B . n B 1 268 VAL 268 268 268 VAL VAL B . n B 1 269 VAL 269 269 269 VAL VAL B . n B 1 270 PRO 270 270 270 PRO PRO B . n B 1 271 PHE 271 271 271 PHE PHE B . n B 1 272 PRO 272 272 272 PRO PRO B . n B 1 273 ASP 273 273 273 ASP ASP B . n B 1 274 LYS 274 274 274 LYS LYS B . n B 1 275 PRO 275 275 275 PRO PRO B . n B 1 276 ASN 276 276 276 ASN ASN B . n B 1 277 LEU 277 277 277 LEU LEU B . n B 1 278 ASP 278 278 278 ASP ASP B . n B 1 279 VAL 279 279 279 VAL VAL B . n B 1 280 THR 280 280 280 THR THR B . n B 1 281 SER 281 281 281 SER SER B . n B 1 282 THR 282 282 282 THR THR B . n B 1 283 MET 283 283 283 MET MET B . n B 1 284 LEU 284 284 284 LEU LEU B . n B 1 285 GLN 285 285 285 GLN GLN B . n B 1 286 GLN 286 286 286 GLN GLN B . n B 1 287 GLY 287 287 287 GLY GLY B . n B 1 288 TRP 288 288 288 TRP TRP B . n B 1 289 GLN 289 289 289 GLN GLN B . n B 1 290 ALA 290 290 290 ALA ALA B . n B 1 291 THR 291 291 291 THR THR B . n B 1 292 HIS 292 292 292 HIS HIS B . n B 1 293 MET 293 293 293 MET MET B . n B 1 294 PHE 294 294 294 PHE PHE B . n B 1 295 ARG 295 295 295 ARG ARG B . n B 1 296 VAL 296 296 296 VAL VAL B . n B 1 297 ALA 297 297 297 ALA ALA B . n B 1 298 GLU 298 298 298 GLU GLU B . n B 1 299 GLU 299 299 299 GLU GLU B . n B 1 300 PHE 300 300 300 PHE PHE B . n B 1 301 PHE 301 301 301 PHE PHE B . n B 1 302 THR 302 302 302 THR THR B . n B 1 303 SER 303 303 303 SER SER B . n B 1 304 LEU 304 304 304 LEU LEU B . n B 1 305 GLU 305 305 305 GLU GLU B . n B 1 306 LEU 306 306 306 LEU LEU B . n B 1 307 SER 307 307 307 SER SER B . n B 1 308 PRO 308 308 308 PRO PRO B . n B 1 309 MET 309 309 309 MET MET B . n B 1 310 PRO 310 310 310 PRO PRO B . n B 1 311 PRO 311 311 311 PRO PRO B . n B 1 312 GLU 312 312 312 GLU GLU B . n B 1 313 PHE 313 313 313 PHE PHE B . n B 1 314 TRP 314 314 314 TRP TRP B . n B 1 315 GLU 315 315 315 GLU GLU B . n B 1 316 GLY 316 316 316 GLY GLY B . n B 1 317 SER 317 317 317 SER SER B . n B 1 318 MET 318 318 318 MET MET B . n B 1 319 LEU 319 319 319 LEU LEU B . n B 1 320 GLU 320 320 320 GLU GLU B . n B 1 321 LYS 321 321 321 LYS LYS B . n B 1 322 PRO 322 322 322 PRO PRO B . n B 1 323 ALA 323 323 323 ALA ALA B . n B 1 324 ASP 324 324 324 ASP ASP B . n B 1 325 GLY 325 325 325 GLY GLY B . n B 1 326 ARG 326 326 326 ARG ARG B . n B 1 327 GLU 327 327 327 GLU GLU B . n B 1 328 VAL 328 328 328 VAL VAL B . n B 1 329 VAL 329 329 329 VAL VAL B . n B 1 330 CYS 330 330 330 CYS CYS B . n B 1 331 HIS 331 331 331 HIS HIS B . n B 1 332 ALA 332 332 332 ALA ALA B . n B 1 333 SER 333 333 333 SER SER B . n B 1 334 ALA 334 334 334 ALA ALA B . n B 1 335 TRP 335 335 335 TRP TRP B . n B 1 336 ASP 336 336 336 ASP ASP B . n B 1 337 PHE 337 337 337 PHE PHE B . n B 1 338 TYR 338 338 338 TYR TYR B . n B 1 339 ASN 339 339 339 ASN ASN B . n B 1 340 ARG 340 340 340 ARG ARG B . n B 1 341 LYS 341 341 341 LYS LYS B . n B 1 342 ASP 342 342 342 ASP ASP B . n B 1 343 PHE 343 343 343 PHE PHE B . n B 1 344 ARG 344 344 344 ARG ARG B . n B 1 345 ILE 345 345 345 ILE ILE B . n B 1 346 LYS 346 346 346 LYS LYS B . n B 1 347 GLN 347 347 347 GLN GLN B . n B 1 348 CYS 348 348 348 CYS CYS B . n B 1 349 THR 349 349 349 THR THR B . n B 1 350 ARG 350 350 350 ARG ARG B . n B 1 351 VAL 351 351 351 VAL VAL B . n B 1 352 THR 352 352 352 THR THR B . n B 1 353 MET 353 353 353 MET MET B . n B 1 354 ASP 354 354 354 ASP ASP B . n B 1 355 GLN 355 355 355 GLN GLN B . n B 1 356 LEU 356 356 356 LEU LEU B . n B 1 357 SER 357 357 357 SER SER B . n B 1 358 THR 358 358 358 THR THR B . n B 1 359 VAL 359 359 359 VAL VAL B . n B 1 360 HIS 360 360 360 HIS HIS B . n B 1 361 HIS 361 361 361 HIS HIS B . n B 1 362 GLU 362 362 362 GLU GLU B . n B 1 363 MET 363 363 363 MET MET B . n B 1 364 GLY 364 364 364 GLY GLY B . n B 1 365 HIS 365 365 365 HIS HIS B . n B 1 366 ILE 366 366 366 ILE ILE B . n B 1 367 GLN 367 367 367 GLN GLN B . n B 1 368 TYR 368 368 368 TYR TYR B . n B 1 369 TYR 369 369 369 TYR TYR B . n B 1 370 LEU 370 370 370 LEU LEU B . n B 1 371 GLN 371 371 371 GLN GLN B . n B 1 372 TYR 372 372 372 TYR TYR B . n B 1 373 LYS 373 373 373 LYS LYS B . n B 1 374 ASP 374 374 374 ASP ASP B . n B 1 375 LEU 375 375 375 LEU LEU B . n B 1 376 PRO 376 376 376 PRO PRO B . n B 1 377 VAL 377 377 377 VAL VAL B . n B 1 378 SER 378 378 378 SER SER B . n B 1 379 LEU 379 379 379 LEU LEU B . n B 1 380 ARG 380 380 380 ARG ARG B . n B 1 381 ARG 381 381 381 ARG ARG B . n B 1 382 GLY 382 382 382 GLY GLY B . n B 1 383 ALA 383 383 383 ALA ALA B . n B 1 384 ASN 384 384 384 ASN ASN B . n B 1 385 PRO 385 385 385 PRO PRO B . n B 1 386 GLY 386 386 386 GLY GLY B . n B 1 387 PHE 387 387 387 PHE PHE B . n B 1 388 HIS 388 388 388 HIS HIS B . n B 1 389 GLU 389 389 389 GLU GLU B . n B 1 390 ALA 390 390 390 ALA ALA B . n B 1 391 ILE 391 391 391 ILE ILE B . n B 1 392 GLY 392 392 392 GLY GLY B . n B 1 393 ASP 393 393 393 ASP ASP B . n B 1 394 VAL 394 394 394 VAL VAL B . n B 1 395 LEU 395 395 395 LEU LEU B . n B 1 396 ALA 396 396 396 ALA ALA B . n B 1 397 LEU 397 397 397 LEU LEU B . n B 1 398 SER 398 398 398 SER SER B . n B 1 399 VAL 399 399 399 VAL VAL B . n B 1 400 SER 400 400 400 SER SER B . n B 1 401 THR 401 401 401 THR THR B . n B 1 402 PRO 402 402 402 PRO PRO B . n B 1 403 GLU 403 403 403 GLU GLU B . n B 1 404 HIS 404 404 404 HIS HIS B . n B 1 405 LEU 405 405 405 LEU LEU B . n B 1 406 HIS 406 406 406 HIS HIS B . n B 1 407 LYS 407 407 407 LYS LYS B . n B 1 408 ILE 408 408 408 ILE ILE B . n B 1 409 GLY 409 409 409 GLY GLY B . n B 1 410 LEU 410 410 410 LEU LEU B . n B 1 411 LEU 411 411 411 LEU LEU B . n B 1 412 ASP 412 412 412 ASP ASP B . n B 1 413 ARG 413 413 413 ARG ARG B . n B 1 414 VAL 414 414 414 VAL VAL B . n B 1 415 THR 415 415 415 THR THR B . n B 1 416 ASN 416 416 416 ASN ASN B . n B 1 417 ASP 417 417 417 ASP ASP B . n B 1 418 THR 418 418 418 THR THR B . n B 1 419 GLU 419 419 419 GLU GLU B . n B 1 420 SER 420 420 420 SER SER B . n B 1 421 ASP 421 421 421 ASP ASP B . n B 1 422 ILE 422 422 422 ILE ILE B . n B 1 423 ASN 423 423 423 ASN ASN B . n B 1 424 TYR 424 424 424 TYR TYR B . n B 1 425 LEU 425 425 425 LEU LEU B . n B 1 426 LEU 426 426 426 LEU LEU B . n B 1 427 LYS 427 427 427 LYS LYS B . n B 1 428 MET 428 428 428 MET MET B . n B 1 429 ALA 429 429 429 ALA ALA B . n B 1 430 LEU 430 430 430 LEU LEU B . n B 1 431 GLU 431 431 431 GLU GLU B . n B 1 432 LYS 432 432 432 LYS LYS B . n B 1 433 ILE 433 433 433 ILE ILE B . n B 1 434 ALA 434 434 434 ALA ALA B . n B 1 435 PHE 435 435 435 PHE PHE B . n B 1 436 LEU 436 436 436 LEU LEU B . n B 1 437 PRO 437 437 437 PRO PRO B . n B 1 438 PHE 438 438 438 PHE PHE B . n B 1 439 GLY 439 439 439 GLY GLY B . n B 1 440 TYR 440 440 440 TYR TYR B . n B 1 441 LEU 441 441 441 LEU LEU B . n B 1 442 VAL 442 442 442 VAL VAL B . n B 1 443 ASP 443 443 443 ASP ASP B . n B 1 444 GLN 444 444 444 GLN GLN B . n B 1 445 TRP 445 445 445 TRP TRP B . n B 1 446 ARG 446 446 446 ARG ARG B . n B 1 447 TRP 447 447 447 TRP TRP B . n B 1 448 GLY 448 448 448 GLY GLY B . n B 1 449 VAL 449 449 449 VAL VAL B . n B 1 450 PHE 450 450 450 PHE PHE B . n B 1 451 SER 451 451 451 SER SER B . n B 1 452 GLY 452 452 452 GLY GLY B . n B 1 453 ARG 453 453 453 ARG ARG B . n B 1 454 THR 454 454 454 THR THR B . n B 1 455 PRO 455 455 455 PRO PRO B . n B 1 456 PRO 456 456 456 PRO PRO B . n B 1 457 SER 457 457 457 SER SER B . n B 1 458 ARG 458 458 458 ARG ARG B . n B 1 459 TYR 459 459 459 TYR TYR B . n B 1 460 ASN 460 460 460 ASN ASN B . n B 1 461 PHE 461 461 461 PHE PHE B . n B 1 462 ASP 462 462 462 ASP ASP B . n B 1 463 TRP 463 463 463 TRP TRP B . n B 1 464 TRP 464 464 464 TRP TRP B . n B 1 465 TYR 465 465 465 TYR TYR B . n B 1 466 LEU 466 466 466 LEU LEU B . n B 1 467 ARG 467 467 467 ARG ARG B . n B 1 468 THR 468 468 468 THR THR B . n B 1 469 LYS 469 469 469 LYS LYS B . n B 1 470 TYR 470 470 470 TYR TYR B . n B 1 471 GLN 471 471 471 GLN GLN B . n B 1 472 GLY 472 472 472 GLY GLY B . n B 1 473 ILE 473 473 473 ILE ILE B . n B 1 474 CYS 474 474 474 CYS CYS B . n B 1 475 PRO 475 475 475 PRO PRO B . n B 1 476 PRO 476 476 476 PRO PRO B . n B 1 477 VAL 477 477 477 VAL VAL B . n B 1 478 THR 478 478 478 THR THR B . n B 1 479 ARG 479 479 479 ARG ARG B . n B 1 480 ASN 480 480 480 ASN ASN B . n B 1 481 GLU 481 481 481 GLU GLU B . n B 1 482 THR 482 482 482 THR THR B . n B 1 483 HIS 483 483 483 HIS HIS B . n B 1 484 PHE 484 484 484 PHE PHE B . n B 1 485 ASP 485 485 485 ASP ASP B . n B 1 486 ALA 486 486 486 ALA ALA B . n B 1 487 GLY 487 487 487 GLY GLY B . n B 1 488 ALA 488 488 488 ALA ALA B . n B 1 489 LYS 489 489 489 LYS LYS B . n B 1 490 PHE 490 490 490 PHE PHE B . n B 1 491 HIS 491 491 491 HIS HIS B . n B 1 492 VAL 492 492 492 VAL VAL B . n B 1 493 PRO 493 493 493 PRO PRO B . n B 1 494 ASN 494 494 494 ASN ASN B . n B 1 495 VAL 495 495 495 VAL VAL B . n B 1 496 THR 496 496 496 THR THR B . n B 1 497 PRO 497 497 497 PRO PRO B . n B 1 498 TYR 498 498 498 TYR TYR B . n B 1 499 ILE 499 499 499 ILE ILE B . n B 1 500 ARG 500 500 500 ARG ARG B . n B 1 501 TYR 501 501 501 TYR TYR B . n B 1 502 PHE 502 502 502 PHE PHE B . n B 1 503 VAL 503 503 503 VAL VAL B . n B 1 504 SER 504 504 504 SER SER B . n B 1 505 PHE 505 505 505 PHE PHE B . n B 1 506 VAL 506 506 506 VAL VAL B . n B 1 507 LEU 507 507 507 LEU LEU B . n B 1 508 GLN 508 508 508 GLN GLN B . n B 1 509 PHE 509 509 509 PHE PHE B . n B 1 510 GLN 510 510 510 GLN GLN B . n B 1 511 PHE 511 511 511 PHE PHE B . n B 1 512 HIS 512 512 512 HIS HIS B . n B 1 513 GLU 513 513 513 GLU GLU B . n B 1 514 ALA 514 514 514 ALA ALA B . n B 1 515 LEU 515 515 515 LEU LEU B . n B 1 516 CYS 516 516 516 CYS CYS B . n B 1 517 LYS 517 517 517 LYS LYS B . n B 1 518 GLU 518 518 518 GLU GLU B . n B 1 519 ALA 519 519 519 ALA ALA B . n B 1 520 GLY 520 520 520 GLY GLY B . n B 1 521 TYR 521 521 521 TYR TYR B . n B 1 522 GLU 522 522 522 GLU GLU B . n B 1 523 GLY 523 523 523 GLY GLY B . n B 1 524 PRO 524 524 524 PRO PRO B . n B 1 525 LEU 525 525 525 LEU LEU B . n B 1 526 HIS 526 526 526 HIS HIS B . n B 1 527 GLN 527 527 527 GLN GLN B . n B 1 528 CYS 528 528 528 CYS CYS B . n B 1 529 ASP 529 529 529 ASP ASP B . n B 1 530 ILE 530 530 530 ILE ILE B . n B 1 531 TYR 531 531 531 TYR TYR B . n B 1 532 ARG 532 532 532 ARG ARG B . n B 1 533 SER 533 533 533 SER SER B . n B 1 534 THR 534 534 534 THR THR B . n B 1 535 LYS 535 535 535 LYS LYS B . n B 1 536 ALA 536 536 536 ALA ALA B . n B 1 537 GLY 537 537 537 GLY GLY B . n B 1 538 ALA 538 538 538 ALA ALA B . n B 1 539 LYS 539 539 539 LYS LYS B . n B 1 540 LEU 540 540 540 LEU LEU B . n B 1 541 ARG 541 541 541 ARG ARG B . n B 1 542 LYS 542 542 542 LYS LYS B . n B 1 543 VAL 543 543 543 VAL VAL B . n B 1 544 LEU 544 544 544 LEU LEU B . n B 1 545 ARG 545 545 545 ARG ARG B . n B 1 546 ALA 546 546 546 ALA ALA B . n B 1 547 GLY 547 547 547 GLY GLY B . n B 1 548 SER 548 548 548 SER SER B . n B 1 549 SER 549 549 549 SER SER B . n B 1 550 ARG 550 550 550 ARG ARG B . n B 1 551 PRO 551 551 551 PRO PRO B . n B 1 552 TRP 552 552 552 TRP TRP B . n B 1 553 GLN 553 553 553 GLN GLN B . n B 1 554 GLU 554 554 554 GLU GLU B . n B 1 555 VAL 555 555 555 VAL VAL B . n B 1 556 LEU 556 556 556 LEU LEU B . n B 1 557 LYS 557 557 557 LYS LYS B . n B 1 558 ASP 558 558 558 ASP ASP B . n B 1 559 MET 559 559 559 MET MET B . n B 1 560 VAL 560 560 560 VAL VAL B . n B 1 561 GLY 561 561 561 GLY GLY B . n B 1 562 LEU 562 562 562 LEU LEU B . n B 1 563 ASP 563 563 563 ASP ASP B . n B 1 564 ALA 564 564 564 ALA ALA B . n B 1 565 LEU 565 565 565 LEU LEU B . n B 1 566 ASP 566 566 566 ASP ASP B . n B 1 567 ALA 567 567 567 ALA ALA B . n B 1 568 GLN 568 568 568 GLN GLN B . n B 1 569 PRO 569 569 569 PRO PRO B . n B 1 570 LEU 570 570 570 LEU LEU B . n B 1 571 LEU 571 571 571 LEU LEU B . n B 1 572 LYS 572 572 572 LYS LYS B . n B 1 573 TYR 573 573 573 TYR TYR B . n B 1 574 PHE 574 574 574 PHE PHE B . n B 1 575 GLN 575 575 575 GLN GLN B . n B 1 576 LEU 576 576 576 LEU LEU B . n B 1 577 VAL 577 577 577 VAL VAL B . n B 1 578 THR 578 578 578 THR THR B . n B 1 579 GLN 579 579 579 GLN GLN B . n B 1 580 TRP 580 580 580 TRP TRP B . n B 1 581 LEU 581 581 581 LEU LEU B . n B 1 582 GLN 582 582 582 GLN GLN B . n B 1 583 GLU 583 583 583 GLU GLU B . n B 1 584 GLN 584 584 584 GLN GLN B . n B 1 585 ASN 585 585 585 ASN ASN B . n B 1 586 GLN 586 586 586 GLN GLN B . n B 1 587 GLN 587 587 587 GLN GLN B . n B 1 588 ASN 588 588 588 ASN ASN B . n B 1 589 GLY 589 589 589 GLY GLY B . n B 1 590 GLU 590 590 590 GLU GLU B . n B 1 591 VAL 591 591 591 VAL VAL B . n B 1 592 LEU 592 592 592 LEU LEU B . n B 1 593 GLY 593 593 593 GLY GLY B . n B 1 594 TRP 594 594 594 TRP TRP B . n B 1 595 PRO 595 595 595 PRO PRO B . n B 1 596 GLU 596 596 596 GLU GLU B . n B 1 597 TYR 597 597 597 TYR TYR B . n B 1 598 GLN 598 598 598 GLN GLN B . n B 1 599 TRP 599 599 599 TRP TRP B . n B 1 600 HIS 600 600 600 HIS HIS B . n B 1 601 PRO 601 601 601 PRO PRO B . n B 1 602 PRO 602 602 602 PRO PRO B . n B 1 603 LEU 603 603 603 LEU LEU B . n B 1 604 PRO 604 604 604 PRO PRO B . n B 1 605 ASP 605 605 605 ASP ASP B . n B 1 606 ASN 606 606 606 ASN ASN B . n B 1 607 TYR 607 607 607 TYR TYR B . n B 1 608 PRO 608 608 608 PRO PRO B . n B 1 609 GLU 609 609 609 GLU GLU B . n B 1 610 GLY 610 610 610 GLY GLY B . 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 C 2 ZN 1 1001 1001 ZN ZN A . D 3 CL 1 1002 1002 CL CL A . E 4 FUC 1 1611 1611 FUC FUC A . F 5 NAG 2 1612 1612 NAG NAG A . G 5 NAG 1 1614 1614 NAG NAG A . H 5 NAG 2 1615 1615 NAG NAG A . I 5 NAG 1 1616 1616 NAG NAG A . J 5 NAG 2 1617 1617 NAG NAG A . K 6 BMA 3 1618 1618 BMA BMA A . L 4 FUC 4 1619 1619 FUC FUC A . M 7 PEG 1 1622 1622 PEG PEG A . N 7 PEG 1 1624 1624 PEG PEG A . O 8 PG4 1 1625 1625 PG4 PG4 A . P 7 PEG 1 1626 1626 PEG PEG A . Q 9 3EF 1 1630 1630 3EF 3EF A . R 2 ZN 1 1001 1001 ZN ZN B . S 3 CL 1 1003 1003 CL CL B . T 4 FUC 1 1611 1611 FUC FUC B . U 5 NAG 2 1612 1612 NAG NAG B . V 5 NAG 1 1614 1614 NAG NAG B . W 5 NAG 2 1615 1615 NAG NAG B . X 5 NAG 1 1616 1616 NAG NAG B . Y 5 NAG 2 1617 1617 NAG NAG B . Z 6 BMA 3 1618 1618 BMA BMA B . AA 7 PEG 1 1621 1621 PEG PEG B . BA 10 P6G 1 1622 1622 P6G P6G B . CA 7 PEG 1 1623 1623 PEG PEG B . DA 7 PEG 1 1624 1624 PEG PEG B . EA 9 3EF 1 1630 1630 3EF 3EF B . FA 11 HOH 1 2001 2001 HOH HOH A . FA 11 HOH 2 2002 2002 HOH HOH A . FA 11 HOH 3 2003 2003 HOH HOH A . FA 11 HOH 4 2004 2004 HOH HOH A . FA 11 HOH 5 2005 2005 HOH HOH A . FA 11 HOH 6 2006 2006 HOH HOH A . FA 11 HOH 7 2007 2007 HOH HOH A . FA 11 HOH 8 2008 2008 HOH HOH A . FA 11 HOH 9 2009 2009 HOH HOH A . FA 11 HOH 10 2010 2010 HOH HOH A . FA 11 HOH 11 2011 2011 HOH HOH A . FA 11 HOH 12 2012 2012 HOH HOH A . FA 11 HOH 13 2013 2013 HOH HOH A . FA 11 HOH 14 2014 2014 HOH HOH A . FA 11 HOH 15 2015 2015 HOH HOH A . FA 11 HOH 16 2016 2016 HOH HOH A . FA 11 HOH 17 2017 2017 HOH HOH A . FA 11 HOH 18 2018 2018 HOH HOH A . FA 11 HOH 19 2019 2019 HOH HOH A . FA 11 HOH 20 2020 2020 HOH HOH A . FA 11 HOH 21 2021 2021 HOH HOH A . FA 11 HOH 22 2022 2022 HOH HOH A . FA 11 HOH 23 2023 2023 HOH HOH A . FA 11 HOH 24 2024 2024 HOH HOH A . FA 11 HOH 25 2025 2025 HOH HOH A . FA 11 HOH 26 2026 2026 HOH HOH A . FA 11 HOH 27 2027 2027 HOH HOH A . FA 11 HOH 28 2028 2028 HOH HOH A . FA 11 HOH 29 2029 2029 HOH HOH A . FA 11 HOH 30 2030 2030 HOH HOH A . FA 11 HOH 31 2031 2031 HOH HOH A . FA 11 HOH 32 2032 2032 HOH HOH A . FA 11 HOH 33 2033 2033 HOH HOH A . FA 11 HOH 34 2034 2034 HOH HOH A . FA 11 HOH 35 2035 2035 HOH HOH A . FA 11 HOH 36 2036 2036 HOH HOH A . FA 11 HOH 37 2037 2037 HOH HOH A . FA 11 HOH 38 2038 2038 HOH HOH A . FA 11 HOH 39 2039 2039 HOH HOH A . FA 11 HOH 40 2040 2040 HOH HOH A . FA 11 HOH 41 2041 2041 HOH HOH A . FA 11 HOH 42 2042 2042 HOH HOH A . FA 11 HOH 43 2043 2043 HOH HOH A . FA 11 HOH 44 2044 2044 HOH HOH A . FA 11 HOH 45 2045 2045 HOH HOH A . FA 11 HOH 46 2046 2046 HOH HOH A . FA 11 HOH 47 2047 2047 HOH HOH A . FA 11 HOH 48 2048 2048 HOH HOH A . FA 11 HOH 49 2049 2049 HOH HOH A . FA 11 HOH 50 2050 2050 HOH HOH A . FA 11 HOH 51 2051 2051 HOH HOH A . FA 11 HOH 52 2052 2052 HOH HOH A . FA 11 HOH 53 2053 2053 HOH HOH A . FA 11 HOH 54 2054 2054 HOH HOH A . FA 11 HOH 55 2055 2055 HOH HOH A . FA 11 HOH 56 2056 2056 HOH HOH A . FA 11 HOH 57 2057 2057 HOH HOH A . FA 11 HOH 58 2058 2058 HOH HOH A . FA 11 HOH 59 2059 2059 HOH HOH A . FA 11 HOH 60 2060 2060 HOH HOH A . FA 11 HOH 61 2061 2061 HOH HOH A . FA 11 HOH 62 2062 2062 HOH HOH A . FA 11 HOH 63 2063 2063 HOH HOH A . FA 11 HOH 64 2064 2064 HOH HOH A . FA 11 HOH 65 2065 2065 HOH HOH A . FA 11 HOH 66 2066 2066 HOH HOH A . FA 11 HOH 67 2067 2067 HOH HOH A . FA 11 HOH 68 2068 2068 HOH HOH A . FA 11 HOH 69 2069 2069 HOH HOH A . FA 11 HOH 70 2070 2070 HOH HOH A . FA 11 HOH 71 2071 2071 HOH HOH A . FA 11 HOH 72 2072 2072 HOH HOH A . FA 11 HOH 73 2073 2073 HOH HOH A . FA 11 HOH 74 2074 2074 HOH HOH A . FA 11 HOH 75 2075 2075 HOH HOH A . FA 11 HOH 76 2076 2076 HOH HOH A . FA 11 HOH 77 2077 2077 HOH HOH A . FA 11 HOH 78 2078 2078 HOH HOH A . FA 11 HOH 79 2079 2079 HOH HOH A . FA 11 HOH 80 2080 2080 HOH HOH A . FA 11 HOH 81 2081 2081 HOH HOH A . FA 11 HOH 82 2082 2082 HOH HOH A . FA 11 HOH 83 2083 2083 HOH HOH A . FA 11 HOH 84 2084 2084 HOH HOH A . FA 11 HOH 85 2085 2085 HOH HOH A . FA 11 HOH 86 2086 2086 HOH HOH A . FA 11 HOH 87 2087 2087 HOH HOH A . FA 11 HOH 88 2088 2088 HOH HOH A . FA 11 HOH 89 2089 2089 HOH HOH A . FA 11 HOH 90 2090 2090 HOH HOH A . FA 11 HOH 91 2091 2091 HOH HOH A . FA 11 HOH 92 2092 2092 HOH HOH A . FA 11 HOH 93 2093 2093 HOH HOH A . FA 11 HOH 94 2094 2094 HOH HOH A . FA 11 HOH 95 2095 2095 HOH HOH A . FA 11 HOH 96 2096 2096 HOH HOH A . FA 11 HOH 97 2097 2097 HOH HOH A . FA 11 HOH 98 2098 2098 HOH HOH A . FA 11 HOH 99 2099 2099 HOH HOH A . FA 11 HOH 100 2100 2100 HOH HOH A . FA 11 HOH 101 2101 2101 HOH HOH A . FA 11 HOH 102 2102 2102 HOH HOH A . FA 11 HOH 103 2103 2103 HOH HOH A . FA 11 HOH 104 2104 2104 HOH HOH A . FA 11 HOH 105 2105 2105 HOH HOH A . FA 11 HOH 106 2106 2106 HOH HOH A . FA 11 HOH 107 2107 2107 HOH HOH A . FA 11 HOH 108 2108 2108 HOH HOH A . FA 11 HOH 109 2109 2109 HOH HOH A . FA 11 HOH 110 2110 2110 HOH HOH A . FA 11 HOH 111 2111 2111 HOH HOH A . FA 11 HOH 112 2112 2112 HOH HOH A . FA 11 HOH 113 2113 2113 HOH HOH A . FA 11 HOH 114 2114 2114 HOH HOH A . FA 11 HOH 115 2115 2115 HOH HOH A . FA 11 HOH 116 2116 2116 HOH HOH A . FA 11 HOH 117 2117 2117 HOH HOH A . FA 11 HOH 118 2118 2118 HOH HOH A . FA 11 HOH 119 2119 2119 HOH HOH A . FA 11 HOH 120 2120 2120 HOH HOH A . FA 11 HOH 121 2121 2121 HOH HOH A . FA 11 HOH 122 2122 2122 HOH HOH A . FA 11 HOH 123 2123 2123 HOH HOH A . FA 11 HOH 124 2124 2124 HOH HOH A . FA 11 HOH 125 2125 2125 HOH HOH A . FA 11 HOH 126 2126 2126 HOH HOH A . FA 11 HOH 127 2127 2127 HOH HOH A . FA 11 HOH 128 2128 2128 HOH HOH A . FA 11 HOH 129 2129 2129 HOH HOH A . FA 11 HOH 130 2130 2130 HOH HOH A . FA 11 HOH 131 2131 2131 HOH HOH A . FA 11 HOH 132 2132 2132 HOH HOH A . FA 11 HOH 133 2133 2133 HOH HOH A . FA 11 HOH 134 2134 2134 HOH HOH A . FA 11 HOH 135 2135 2135 HOH HOH A . FA 11 HOH 136 2136 2136 HOH HOH A . FA 11 HOH 137 2137 2137 HOH HOH A . FA 11 HOH 138 2138 2138 HOH HOH A . FA 11 HOH 139 2139 2139 HOH HOH A . FA 11 HOH 140 2140 2140 HOH HOH A . FA 11 HOH 141 2141 2141 HOH HOH A . FA 11 HOH 142 2142 2142 HOH HOH A . FA 11 HOH 143 2143 2143 HOH HOH A . FA 11 HOH 144 2144 2144 HOH HOH A . FA 11 HOH 145 2145 2145 HOH HOH A . FA 11 HOH 146 2146 2146 HOH HOH A . FA 11 HOH 147 2147 2147 HOH HOH A . FA 11 HOH 148 2148 2148 HOH HOH A . FA 11 HOH 149 2149 2149 HOH HOH A . FA 11 HOH 150 2150 2150 HOH HOH A . FA 11 HOH 151 2151 2151 HOH HOH A . FA 11 HOH 152 2152 2152 HOH HOH A . FA 11 HOH 153 2153 2153 HOH HOH A . FA 11 HOH 154 2154 2154 HOH HOH A . FA 11 HOH 155 2155 2155 HOH HOH A . FA 11 HOH 156 2156 2156 HOH HOH A . FA 11 HOH 157 2157 2157 HOH HOH A . FA 11 HOH 158 2158 2158 HOH HOH A . FA 11 HOH 159 2159 2159 HOH HOH A . FA 11 HOH 160 2160 2160 HOH HOH A . FA 11 HOH 161 2161 2161 HOH HOH A . FA 11 HOH 162 2162 2162 HOH HOH A . FA 11 HOH 163 2163 2163 HOH HOH A . FA 11 HOH 164 2164 2164 HOH HOH A . FA 11 HOH 165 2165 2165 HOH HOH A . FA 11 HOH 166 2166 2166 HOH HOH A . FA 11 HOH 167 2167 2167 HOH HOH A . FA 11 HOH 168 2168 2168 HOH HOH A . FA 11 HOH 169 2169 2169 HOH HOH A . FA 11 HOH 170 2170 2170 HOH HOH A . FA 11 HOH 171 2171 2171 HOH HOH A . FA 11 HOH 172 2172 2172 HOH HOH A . FA 11 HOH 173 2173 2173 HOH HOH A . FA 11 HOH 174 2174 2174 HOH HOH A . FA 11 HOH 175 2175 2175 HOH HOH A . FA 11 HOH 176 2176 2176 HOH HOH A . FA 11 HOH 177 2177 2177 HOH HOH A . FA 11 HOH 178 2178 2178 HOH HOH A . FA 11 HOH 179 2179 2179 HOH HOH A . FA 11 HOH 180 2180 2180 HOH HOH A . FA 11 HOH 181 2181 2181 HOH HOH A . FA 11 HOH 182 2182 2182 HOH HOH A . FA 11 HOH 183 2183 2183 HOH HOH A . FA 11 HOH 184 2184 2184 HOH HOH A . FA 11 HOH 185 2185 2185 HOH HOH A . FA 11 HOH 186 2186 2186 HOH HOH A . FA 11 HOH 187 2187 2187 HOH HOH A . FA 11 HOH 188 2188 2188 HOH HOH A . FA 11 HOH 189 2189 2189 HOH HOH A . FA 11 HOH 190 2190 2190 HOH HOH A . FA 11 HOH 191 2191 2191 HOH HOH A . FA 11 HOH 192 2192 2192 HOH HOH A . FA 11 HOH 193 2193 2193 HOH HOH A . FA 11 HOH 194 2194 2194 HOH HOH A . FA 11 HOH 195 2195 2195 HOH HOH A . FA 11 HOH 196 2196 2196 HOH HOH A . FA 11 HOH 197 2197 2197 HOH HOH A . FA 11 HOH 198 2198 2198 HOH HOH A . FA 11 HOH 199 2199 2199 HOH HOH A . FA 11 HOH 200 2200 2200 HOH HOH A . FA 11 HOH 201 2201 2201 HOH HOH A . FA 11 HOH 202 2202 2202 HOH HOH A . FA 11 HOH 203 2203 2203 HOH HOH A . FA 11 HOH 204 2204 2204 HOH HOH A . FA 11 HOH 205 2205 2205 HOH HOH A . FA 11 HOH 206 2206 2206 HOH HOH A . FA 11 HOH 207 2207 2207 HOH HOH A . FA 11 HOH 208 2208 2208 HOH HOH A . FA 11 HOH 209 2209 2209 HOH HOH A . FA 11 HOH 210 2210 2210 HOH HOH A . FA 11 HOH 211 2211 2211 HOH HOH A . FA 11 HOH 212 2212 2212 HOH HOH A . FA 11 HOH 213 2213 2213 HOH HOH A . FA 11 HOH 214 2214 2214 HOH HOH A . FA 11 HOH 215 2215 2215 HOH HOH A . FA 11 HOH 216 2216 2216 HOH HOH A . FA 11 HOH 217 2217 2217 HOH HOH A . FA 11 HOH 218 2218 2218 HOH HOH A . FA 11 HOH 219 2219 2219 HOH HOH A . FA 11 HOH 220 2220 2220 HOH HOH A . FA 11 HOH 221 2221 2221 HOH HOH A . FA 11 HOH 222 2222 2222 HOH HOH A . FA 11 HOH 223 2223 2223 HOH HOH A . FA 11 HOH 224 2224 2224 HOH HOH A . FA 11 HOH 225 2225 2225 HOH HOH A . FA 11 HOH 226 2226 2226 HOH HOH A . FA 11 HOH 227 2227 2227 HOH HOH A . FA 11 HOH 228 2228 2228 HOH HOH A . FA 11 HOH 229 2229 2229 HOH HOH A . FA 11 HOH 230 2230 2230 HOH HOH A . FA 11 HOH 231 2231 2231 HOH HOH A . FA 11 HOH 232 2232 2232 HOH HOH A . FA 11 HOH 233 2233 2233 HOH HOH A . FA 11 HOH 234 2234 2234 HOH HOH A . FA 11 HOH 235 2235 2235 HOH HOH A . FA 11 HOH 236 2236 2236 HOH HOH A . FA 11 HOH 237 2237 2237 HOH HOH A . FA 11 HOH 238 2238 2238 HOH HOH A . FA 11 HOH 239 2239 2239 HOH HOH A . FA 11 HOH 240 2240 2240 HOH HOH A . FA 11 HOH 241 2241 2241 HOH HOH A . FA 11 HOH 242 2242 2242 HOH HOH A . FA 11 HOH 243 2243 2243 HOH HOH A . FA 11 HOH 244 2244 2244 HOH HOH A . FA 11 HOH 245 2245 2245 HOH HOH A . FA 11 HOH 246 2246 2246 HOH HOH A . FA 11 HOH 247 2247 2247 HOH HOH A . FA 11 HOH 248 2248 2248 HOH HOH A . FA 11 HOH 249 2249 2249 HOH HOH A . FA 11 HOH 250 2250 2250 HOH HOH A . FA 11 HOH 251 2251 2251 HOH HOH A . FA 11 HOH 252 2252 2252 HOH HOH A . FA 11 HOH 253 2253 2253 HOH HOH A . FA 11 HOH 254 2254 2254 HOH HOH A . FA 11 HOH 255 2255 2255 HOH HOH A . FA 11 HOH 256 2256 2256 HOH HOH A . FA 11 HOH 257 2257 2257 HOH HOH A . FA 11 HOH 258 2258 2258 HOH HOH A . FA 11 HOH 259 2259 2259 HOH HOH A . FA 11 HOH 260 2260 2260 HOH HOH A . FA 11 HOH 261 2261 2261 HOH HOH A . FA 11 HOH 262 2262 2262 HOH HOH A . FA 11 HOH 263 2263 2263 HOH HOH A . FA 11 HOH 264 2264 2264 HOH HOH A . FA 11 HOH 265 2265 2265 HOH HOH A . FA 11 HOH 266 2266 2266 HOH HOH A . FA 11 HOH 267 2267 2267 HOH HOH A . FA 11 HOH 268 2268 2268 HOH HOH A . FA 11 HOH 269 2269 2269 HOH HOH A . FA 11 HOH 270 2270 2270 HOH HOH A . FA 11 HOH 271 2271 2271 HOH HOH A . FA 11 HOH 272 2272 2272 HOH HOH A . FA 11 HOH 273 2273 2273 HOH HOH A . FA 11 HOH 274 2274 2274 HOH HOH A . FA 11 HOH 275 2275 2275 HOH HOH A . FA 11 HOH 276 2276 2276 HOH HOH A . FA 11 HOH 277 2277 2277 HOH HOH A . FA 11 HOH 278 2278 2278 HOH HOH A . FA 11 HOH 279 2279 2279 HOH HOH A . FA 11 HOH 280 2280 2280 HOH HOH A . FA 11 HOH 281 2281 2281 HOH HOH A . FA 11 HOH 282 2282 2282 HOH HOH A . FA 11 HOH 283 2283 2283 HOH HOH A . FA 11 HOH 284 2284 2284 HOH HOH A . FA 11 HOH 285 2285 2285 HOH HOH A . FA 11 HOH 286 2286 2286 HOH HOH A . FA 11 HOH 287 2287 2287 HOH HOH A . FA 11 HOH 288 2288 2288 HOH HOH A . FA 11 HOH 289 2289 2289 HOH HOH A . FA 11 HOH 290 2290 2290 HOH HOH A . FA 11 HOH 291 2291 2291 HOH HOH A . FA 11 HOH 292 2292 2292 HOH HOH A . FA 11 HOH 293 2293 2293 HOH HOH A . FA 11 HOH 294 2294 2294 HOH HOH A . FA 11 HOH 295 2295 2295 HOH HOH A . FA 11 HOH 296 2296 2296 HOH HOH A . FA 11 HOH 297 2297 2297 HOH HOH A . FA 11 HOH 298 2298 2298 HOH HOH A . FA 11 HOH 299 2299 2299 HOH HOH A . FA 11 HOH 300 2300 2300 HOH HOH A . FA 11 HOH 301 2301 2301 HOH HOH A . FA 11 HOH 302 2302 2302 HOH HOH A . FA 11 HOH 303 2303 2303 HOH HOH A . FA 11 HOH 304 2304 2304 HOH HOH A . FA 11 HOH 305 2305 2305 HOH HOH A . FA 11 HOH 306 2306 2306 HOH HOH A . FA 11 HOH 307 2307 2307 HOH HOH A . FA 11 HOH 308 2308 2308 HOH HOH A . FA 11 HOH 309 2309 2309 HOH HOH A . FA 11 HOH 310 2310 2310 HOH HOH A . FA 11 HOH 311 2311 2311 HOH HOH A . FA 11 HOH 312 2312 2312 HOH HOH A . FA 11 HOH 313 2313 2313 HOH HOH A . FA 11 HOH 314 2314 2314 HOH HOH A . FA 11 HOH 315 2315 2315 HOH HOH A . FA 11 HOH 316 2316 2316 HOH HOH A . FA 11 HOH 317 2317 2317 HOH HOH A . FA 11 HOH 318 2318 2318 HOH HOH A . FA 11 HOH 319 2319 2319 HOH HOH A . FA 11 HOH 320 2320 2320 HOH HOH A . FA 11 HOH 321 2321 2321 HOH HOH A . FA 11 HOH 322 2322 2322 HOH HOH A . FA 11 HOH 323 2323 2323 HOH HOH A . FA 11 HOH 324 2324 2324 HOH HOH A . FA 11 HOH 325 2325 2325 HOH HOH A . FA 11 HOH 326 2326 2326 HOH HOH A . FA 11 HOH 327 2327 2327 HOH HOH A . FA 11 HOH 328 2328 2328 HOH HOH A . FA 11 HOH 329 2329 2329 HOH HOH A . FA 11 HOH 330 2330 2330 HOH HOH A . FA 11 HOH 331 2331 2331 HOH HOH A . FA 11 HOH 332 2332 2332 HOH HOH A . FA 11 HOH 333 2333 2333 HOH HOH A . FA 11 HOH 334 2334 2334 HOH HOH A . FA 11 HOH 335 2335 2335 HOH HOH A . FA 11 HOH 336 2336 2336 HOH HOH A . FA 11 HOH 337 2337 2337 HOH HOH A . FA 11 HOH 338 2338 2338 HOH HOH A . FA 11 HOH 339 2339 2339 HOH HOH A . FA 11 HOH 340 2340 2340 HOH HOH A . FA 11 HOH 341 2341 2341 HOH HOH A . FA 11 HOH 342 2342 2342 HOH HOH A . FA 11 HOH 343 2343 2343 HOH HOH A . FA 11 HOH 344 2344 2344 HOH HOH A . GA 11 HOH 1 2001 2001 HOH HOH B . GA 11 HOH 2 2002 2002 HOH HOH B . GA 11 HOH 3 2003 2003 HOH HOH B . GA 11 HOH 4 2004 2004 HOH HOH B . GA 11 HOH 5 2005 2005 HOH HOH B . GA 11 HOH 6 2006 2006 HOH HOH B . GA 11 HOH 7 2007 2007 HOH HOH B . GA 11 HOH 8 2008 2008 HOH HOH B . GA 11 HOH 9 2009 2009 HOH HOH B . GA 11 HOH 10 2010 2010 HOH HOH B . GA 11 HOH 11 2011 2011 HOH HOH B . GA 11 HOH 12 2012 2012 HOH HOH B . GA 11 HOH 13 2013 2013 HOH HOH B . GA 11 HOH 14 2014 2014 HOH HOH B . GA 11 HOH 15 2015 2015 HOH HOH B . GA 11 HOH 16 2016 2016 HOH HOH B . GA 11 HOH 17 2017 2017 HOH HOH B . GA 11 HOH 18 2018 2018 HOH HOH B . GA 11 HOH 19 2019 2019 HOH HOH B . GA 11 HOH 20 2020 2020 HOH HOH B . GA 11 HOH 21 2021 2021 HOH HOH B . GA 11 HOH 22 2022 2022 HOH HOH B . GA 11 HOH 23 2023 2023 HOH HOH B . GA 11 HOH 24 2024 2024 HOH HOH B . GA 11 HOH 25 2025 2025 HOH HOH B . GA 11 HOH 26 2026 2026 HOH HOH B . GA 11 HOH 27 2027 2027 HOH HOH B . GA 11 HOH 28 2028 2028 HOH HOH B . GA 11 HOH 29 2029 2029 HOH HOH B . GA 11 HOH 30 2030 2030 HOH HOH B . GA 11 HOH 31 2031 2031 HOH HOH B . GA 11 HOH 32 2032 2032 HOH HOH B . GA 11 HOH 33 2033 2033 HOH HOH B . GA 11 HOH 34 2034 2034 HOH HOH B . GA 11 HOH 35 2035 2035 HOH HOH B . GA 11 HOH 36 2036 2036 HOH HOH B . GA 11 HOH 37 2037 2037 HOH HOH B . GA 11 HOH 38 2038 2038 HOH HOH B . GA 11 HOH 39 2039 2039 HOH HOH B . GA 11 HOH 40 2040 2040 HOH HOH B . GA 11 HOH 41 2041 2041 HOH HOH B . GA 11 HOH 42 2042 2042 HOH HOH B . GA 11 HOH 43 2043 2043 HOH HOH B . GA 11 HOH 44 2044 2044 HOH HOH B . GA 11 HOH 45 2045 2045 HOH HOH B . GA 11 HOH 46 2046 2046 HOH HOH B . GA 11 HOH 47 2047 2047 HOH HOH B . GA 11 HOH 48 2048 2048 HOH HOH B . GA 11 HOH 49 2049 2049 HOH HOH B . GA 11 HOH 50 2050 2050 HOH HOH B . GA 11 HOH 51 2051 2051 HOH HOH B . GA 11 HOH 52 2052 2052 HOH HOH B . GA 11 HOH 53 2053 2053 HOH HOH B . GA 11 HOH 54 2054 2054 HOH HOH B . GA 11 HOH 55 2055 2055 HOH HOH B . GA 11 HOH 56 2056 2056 HOH HOH B . GA 11 HOH 57 2057 2057 HOH HOH B . GA 11 HOH 58 2058 2058 HOH HOH B . GA 11 HOH 59 2059 2059 HOH HOH B . GA 11 HOH 60 2060 2060 HOH HOH B . GA 11 HOH 61 2061 2061 HOH HOH B . GA 11 HOH 62 2062 2062 HOH HOH B . GA 11 HOH 63 2063 2063 HOH HOH B . GA 11 HOH 64 2064 2064 HOH HOH B . GA 11 HOH 65 2065 2065 HOH HOH B . GA 11 HOH 66 2066 2066 HOH HOH B . GA 11 HOH 67 2067 2067 HOH HOH B . GA 11 HOH 68 2068 2068 HOH HOH B . GA 11 HOH 69 2069 2069 HOH HOH B . GA 11 HOH 70 2070 2070 HOH HOH B . GA 11 HOH 71 2071 2071 HOH HOH B . GA 11 HOH 72 2072 2072 HOH HOH B . GA 11 HOH 73 2073 2073 HOH HOH B . GA 11 HOH 74 2074 2074 HOH HOH B . GA 11 HOH 75 2075 2075 HOH HOH B . GA 11 HOH 76 2076 2076 HOH HOH B . GA 11 HOH 77 2077 2077 HOH HOH B . GA 11 HOH 78 2078 2078 HOH HOH B . GA 11 HOH 79 2079 2079 HOH HOH B . GA 11 HOH 80 2080 2080 HOH HOH B . GA 11 HOH 81 2081 2081 HOH HOH B . GA 11 HOH 82 2082 2082 HOH HOH B . GA 11 HOH 83 2083 2083 HOH HOH B . GA 11 HOH 84 2084 2084 HOH HOH B . GA 11 HOH 85 2085 2085 HOH HOH B . GA 11 HOH 86 2086 2086 HOH HOH B . GA 11 HOH 87 2087 2087 HOH HOH B . GA 11 HOH 88 2088 2088 HOH HOH B . GA 11 HOH 89 2089 2089 HOH HOH B . GA 11 HOH 90 2090 2090 HOH HOH B . GA 11 HOH 91 2091 2091 HOH HOH B . GA 11 HOH 92 2092 2092 HOH HOH B . GA 11 HOH 93 2093 2093 HOH HOH B . GA 11 HOH 94 2094 2094 HOH HOH B . GA 11 HOH 95 2095 2095 HOH HOH B . GA 11 HOH 96 2096 2096 HOH HOH B . GA 11 HOH 97 2097 2097 HOH HOH B . GA 11 HOH 98 2098 2098 HOH HOH B . GA 11 HOH 99 2099 2099 HOH HOH B . GA 11 HOH 100 2100 2100 HOH HOH B . GA 11 HOH 101 2101 2101 HOH HOH B . GA 11 HOH 102 2102 2102 HOH HOH B . GA 11 HOH 103 2103 2103 HOH HOH B . GA 11 HOH 104 2104 2104 HOH HOH B . GA 11 HOH 105 2105 2105 HOH HOH B . GA 11 HOH 106 2106 2106 HOH HOH B . GA 11 HOH 107 2107 2107 HOH HOH B . GA 11 HOH 108 2108 2108 HOH HOH B . GA 11 HOH 109 2109 2109 HOH HOH B . GA 11 HOH 110 2110 2110 HOH HOH B . GA 11 HOH 111 2111 2111 HOH HOH B . GA 11 HOH 112 2112 2112 HOH HOH B . GA 11 HOH 113 2113 2113 HOH HOH B . GA 11 HOH 114 2114 2114 HOH HOH B . GA 11 HOH 115 2115 2115 HOH HOH B . GA 11 HOH 116 2116 2116 HOH HOH B . GA 11 HOH 117 2117 2117 HOH HOH B . GA 11 HOH 118 2118 2118 HOH HOH B . GA 11 HOH 119 2119 2119 HOH HOH B . GA 11 HOH 120 2120 2120 HOH HOH B . GA 11 HOH 121 2121 2121 HOH HOH B . GA 11 HOH 122 2122 2122 HOH HOH B . GA 11 HOH 123 2123 2123 HOH HOH B . GA 11 HOH 124 2124 2124 HOH HOH B . GA 11 HOH 125 2125 2125 HOH HOH B . GA 11 HOH 126 2126 2126 HOH HOH B . GA 11 HOH 127 2127 2127 HOH HOH B . GA 11 HOH 128 2128 2128 HOH HOH B . GA 11 HOH 129 2129 2129 HOH HOH B . GA 11 HOH 130 2130 2130 HOH HOH B . GA 11 HOH 131 2131 2131 HOH HOH B . GA 11 HOH 132 2132 2132 HOH HOH B . GA 11 HOH 133 2133 2133 HOH HOH B . GA 11 HOH 134 2134 2134 HOH HOH B . GA 11 HOH 135 2135 2135 HOH HOH B . GA 11 HOH 136 2136 2136 HOH HOH B . GA 11 HOH 137 2137 2137 HOH HOH B . GA 11 HOH 138 2138 2138 HOH HOH B . GA 11 HOH 139 2139 2139 HOH HOH B . GA 11 HOH 140 2140 2140 HOH HOH B . GA 11 HOH 141 2141 2141 HOH HOH B . GA 11 HOH 142 2142 2142 HOH HOH B . GA 11 HOH 143 2143 2143 HOH HOH B . GA 11 HOH 144 2144 2144 HOH HOH B . GA 11 HOH 145 2145 2145 HOH HOH B . GA 11 HOH 146 2146 2146 HOH HOH B . GA 11 HOH 147 2147 2147 HOH HOH B . GA 11 HOH 148 2148 2148 HOH HOH B . GA 11 HOH 149 2149 2149 HOH HOH B . GA 11 HOH 150 2150 2150 HOH HOH B . GA 11 HOH 151 2151 2151 HOH HOH B . GA 11 HOH 152 2152 2152 HOH HOH B . GA 11 HOH 153 2153 2153 HOH HOH B . GA 11 HOH 154 2154 2154 HOH HOH B . GA 11 HOH 155 2155 2155 HOH HOH B . GA 11 HOH 156 2156 2156 HOH HOH B . GA 11 HOH 157 2157 2157 HOH HOH B . GA 11 HOH 158 2158 2158 HOH HOH B . GA 11 HOH 159 2159 2159 HOH HOH B . GA 11 HOH 160 2160 2160 HOH HOH B . GA 11 HOH 161 2161 2161 HOH HOH B . GA 11 HOH 162 2162 2162 HOH HOH B . GA 11 HOH 163 2163 2163 HOH HOH B . GA 11 HOH 164 2164 2164 HOH HOH B . GA 11 HOH 165 2165 2165 HOH HOH B . GA 11 HOH 166 2166 2166 HOH HOH B . GA 11 HOH 167 2167 2167 HOH HOH B . GA 11 HOH 168 2168 2168 HOH HOH B . GA 11 HOH 169 2169 2169 HOH HOH B . GA 11 HOH 170 2170 2170 HOH HOH B . GA 11 HOH 171 2171 2171 HOH HOH B . GA 11 HOH 172 2172 2172 HOH HOH B . GA 11 HOH 173 2173 2173 HOH HOH B . GA 11 HOH 174 2174 2174 HOH HOH B . GA 11 HOH 175 2175 2175 HOH HOH B . GA 11 HOH 176 2176 2176 HOH HOH B . GA 11 HOH 177 2177 2177 HOH HOH B . GA 11 HOH 178 2178 2178 HOH HOH B . GA 11 HOH 179 2179 2179 HOH HOH B . GA 11 HOH 180 2180 2180 HOH HOH B . GA 11 HOH 181 2181 2181 HOH HOH B . GA 11 HOH 182 2182 2182 HOH HOH B . GA 11 HOH 183 2183 2183 HOH HOH B . GA 11 HOH 184 2184 2184 HOH HOH B . GA 11 HOH 185 2185 2185 HOH HOH B . GA 11 HOH 186 2186 2186 HOH HOH B . GA 11 HOH 187 2187 2187 HOH HOH B . GA 11 HOH 188 2188 2188 HOH HOH B . GA 11 HOH 189 2189 2189 HOH HOH B . GA 11 HOH 190 2190 2190 HOH HOH B . GA 11 HOH 191 2191 2191 HOH HOH B . GA 11 HOH 192 2192 2192 HOH HOH B . GA 11 HOH 193 2193 2193 HOH HOH B . GA 11 HOH 194 2194 2194 HOH HOH B . GA 11 HOH 195 2195 2195 HOH HOH B . GA 11 HOH 196 2196 2196 HOH HOH B . GA 11 HOH 197 2197 2197 HOH HOH B . GA 11 HOH 198 2198 2198 HOH HOH B . GA 11 HOH 199 2199 2199 HOH HOH B . GA 11 HOH 200 2200 2200 HOH HOH B . GA 11 HOH 201 2201 2201 HOH HOH B . GA 11 HOH 202 2202 2202 HOH HOH B . GA 11 HOH 203 2203 2203 HOH HOH B . GA 11 HOH 204 2204 2204 HOH HOH B . GA 11 HOH 205 2205 2205 HOH HOH B . GA 11 HOH 206 2206 2206 HOH HOH B . GA 11 HOH 207 2207 2207 HOH HOH B . GA 11 HOH 208 2208 2208 HOH HOH B . GA 11 HOH 209 2209 2209 HOH HOH B . GA 11 HOH 210 2210 2210 HOH HOH B . GA 11 HOH 211 2211 2211 HOH HOH B . GA 11 HOH 212 2212 2212 HOH HOH B . GA 11 HOH 213 2213 2213 HOH HOH B . GA 11 HOH 214 2214 2214 HOH HOH B . GA 11 HOH 215 2215 2215 HOH HOH B . GA 11 HOH 216 2216 2216 HOH HOH B . GA 11 HOH 217 2217 2217 HOH HOH B . GA 11 HOH 218 2218 2218 HOH HOH B . GA 11 HOH 219 2219 2219 HOH HOH B . GA 11 HOH 220 2220 2220 HOH HOH B . GA 11 HOH 221 2221 2221 HOH HOH B . GA 11 HOH 222 2222 2222 HOH HOH B . GA 11 HOH 223 2223 2223 HOH HOH B . GA 11 HOH 224 2224 2224 HOH HOH B . GA 11 HOH 225 2225 2225 HOH HOH B . GA 11 HOH 226 2226 2226 HOH HOH B . GA 11 HOH 227 2227 2227 HOH HOH B . GA 11 HOH 228 2228 2228 HOH HOH B . GA 11 HOH 229 2229 2229 HOH HOH B . GA 11 HOH 230 2230 2230 HOH HOH B . GA 11 HOH 231 2231 2231 HOH HOH B . GA 11 HOH 232 2232 2232 HOH HOH B . GA 11 HOH 233 2233 2233 HOH HOH B . GA 11 HOH 234 2234 2234 HOH HOH B . GA 11 HOH 235 2235 2235 HOH HOH B . GA 11 HOH 236 2236 2236 HOH HOH B . GA 11 HOH 237 2237 2237 HOH HOH B . GA 11 HOH 238 2238 2238 HOH HOH B . GA 11 HOH 239 2239 2239 HOH HOH B . GA 11 HOH 240 2240 2240 HOH HOH B . GA 11 HOH 241 2241 2241 HOH HOH B . GA 11 HOH 242 2242 2242 HOH HOH B . GA 11 HOH 243 2243 2243 HOH HOH B . GA 11 HOH 244 2244 2244 HOH HOH B . GA 11 HOH 245 2245 2245 HOH HOH B . GA 11 HOH 246 2246 2246 HOH HOH B . GA 11 HOH 247 2247 2247 HOH HOH B . GA 11 HOH 248 2248 2248 HOH HOH B . GA 11 HOH 249 2249 2249 HOH HOH B . GA 11 HOH 250 2250 2250 HOH HOH B . # loop_ _pdbx_struct_mod_residue.id _pdbx_struct_mod_residue.label_asym_id _pdbx_struct_mod_residue.label_comp_id _pdbx_struct_mod_residue.label_seq_id _pdbx_struct_mod_residue.auth_asym_id _pdbx_struct_mod_residue.auth_comp_id _pdbx_struct_mod_residue.auth_seq_id _pdbx_struct_mod_residue.PDB_ins_code _pdbx_struct_mod_residue.parent_comp_id _pdbx_struct_mod_residue.details 1 A ASN 45 A ASN 45 ? ASN 'GLYCOSYLATION SITE' 2 A ASN 416 A ASN 416 ? ASN 'GLYCOSYLATION SITE' 3 A ASN 480 A ASN 480 ? ASN 'GLYCOSYLATION SITE' 4 B ASN 45 B ASN 45 ? ASN 'GLYCOSYLATION SITE' 5 B ASN 416 B ASN 416 ? ASN 'GLYCOSYLATION SITE' 6 B ASN 480 B ASN 480 ? ASN 'GLYCOSYLATION SITE' # loop_ _pdbx_struct_assembly.id _pdbx_struct_assembly.details _pdbx_struct_assembly.method_details _pdbx_struct_assembly.oligomeric_details _pdbx_struct_assembly.oligomeric_count 1 software_defined_assembly PISA monomeric 1 2 software_defined_assembly PISA monomeric 1 # loop_ _pdbx_struct_assembly_gen.assembly_id _pdbx_struct_assembly_gen.oper_expression _pdbx_struct_assembly_gen.asym_id_list 1 1 A,C,D,E,F,G,H,I,J,K,L,M,N,O,P,Q,FA 2 1 B,R,S,T,U,V,W,X,Y,Z,AA,BA,CA,DA,EA,GA # _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_struct_conn_angle.id _pdbx_struct_conn_angle.ptnr1_label_atom_id _pdbx_struct_conn_angle.ptnr1_label_alt_id _pdbx_struct_conn_angle.ptnr1_label_asym_id _pdbx_struct_conn_angle.ptnr1_label_comp_id _pdbx_struct_conn_angle.ptnr1_label_seq_id _pdbx_struct_conn_angle.ptnr1_auth_atom_id _pdbx_struct_conn_angle.ptnr1_auth_asym_id _pdbx_struct_conn_angle.ptnr1_auth_comp_id _pdbx_struct_conn_angle.ptnr1_auth_seq_id _pdbx_struct_conn_angle.ptnr1_PDB_ins_code _pdbx_struct_conn_angle.ptnr1_symmetry _pdbx_struct_conn_angle.ptnr2_label_atom_id _pdbx_struct_conn_angle.ptnr2_label_alt_id _pdbx_struct_conn_angle.ptnr2_label_asym_id _pdbx_struct_conn_angle.ptnr2_label_comp_id _pdbx_struct_conn_angle.ptnr2_label_seq_id _pdbx_struct_conn_angle.ptnr2_auth_atom_id _pdbx_struct_conn_angle.ptnr2_auth_asym_id _pdbx_struct_conn_angle.ptnr2_auth_comp_id _pdbx_struct_conn_angle.ptnr2_auth_seq_id _pdbx_struct_conn_angle.ptnr2_PDB_ins_code _pdbx_struct_conn_angle.ptnr2_symmetry _pdbx_struct_conn_angle.ptnr3_label_atom_id _pdbx_struct_conn_angle.ptnr3_label_alt_id _pdbx_struct_conn_angle.ptnr3_label_asym_id _pdbx_struct_conn_angle.ptnr3_label_comp_id _pdbx_struct_conn_angle.ptnr3_label_seq_id _pdbx_struct_conn_angle.ptnr3_auth_atom_id _pdbx_struct_conn_angle.ptnr3_auth_asym_id _pdbx_struct_conn_angle.ptnr3_auth_comp_id _pdbx_struct_conn_angle.ptnr3_auth_seq_id _pdbx_struct_conn_angle.ptnr3_PDB_ins_code _pdbx_struct_conn_angle.ptnr3_symmetry _pdbx_struct_conn_angle.value _pdbx_struct_conn_angle.value_esd 1 OAD ? Q 3EF . ? A 3EF 1630 ? 1_555 ZN ? C ZN . ? A ZN 1001 ? 1_555 OAG ? Q 3EF . ? A 3EF 1630 ? 1_555 64.6 ? 2 OAD ? Q 3EF . ? A 3EF 1630 ? 1_555 ZN ? C ZN . ? A ZN 1001 ? 1_555 OE1 ? A GLU 389 ? A GLU 389 ? 1_555 101.7 ? 3 OAG ? Q 3EF . ? A 3EF 1630 ? 1_555 ZN ? C ZN . ? A ZN 1001 ? 1_555 OE1 ? A GLU 389 ? A GLU 389 ? 1_555 166.2 ? 4 OAD ? Q 3EF . ? A 3EF 1630 ? 1_555 ZN ? C ZN . ? A ZN 1001 ? 1_555 NE2 ? A HIS 365 ? A HIS 365 ? 1_555 136.4 ? 5 OAG ? Q 3EF . ? A 3EF 1630 ? 1_555 ZN ? C ZN . ? A ZN 1001 ? 1_555 NE2 ? A HIS 365 ? A HIS 365 ? 1_555 88.4 ? 6 OE1 ? A GLU 389 ? A GLU 389 ? 1_555 ZN ? C ZN . ? A ZN 1001 ? 1_555 NE2 ? A HIS 365 ? A HIS 365 ? 1_555 101.7 ? 7 OAD ? Q 3EF . ? A 3EF 1630 ? 1_555 ZN ? C ZN . ? A ZN 1001 ? 1_555 NE2 ? A HIS 361 ? A HIS 361 ? 1_555 108.5 ? 8 OAG ? Q 3EF . ? A 3EF 1630 ? 1_555 ZN ? C ZN . ? A ZN 1001 ? 1_555 NE2 ? A HIS 361 ? A HIS 361 ? 1_555 95.0 ? 9 OE1 ? A GLU 389 ? A GLU 389 ? 1_555 ZN ? C ZN . ? A ZN 1001 ? 1_555 NE2 ? A HIS 361 ? A HIS 361 ? 1_555 91.1 ? 10 NE2 ? A HIS 365 ? A HIS 365 ? 1_555 ZN ? C ZN . ? A ZN 1001 ? 1_555 NE2 ? A HIS 361 ? A HIS 361 ? 1_555 107.4 ? 11 PBY ? EA 3EF . ? B 3EF 1630 ? 1_555 ZN ? R ZN . ? B ZN 1001 ? 1_555 OAG ? EA 3EF . ? B 3EF 1630 ? 1_555 33.1 ? 12 PBY ? EA 3EF . ? B 3EF 1630 ? 1_555 ZN ? R ZN . ? B ZN 1001 ? 1_555 OAD ? EA 3EF . ? B 3EF 1630 ? 1_555 33.6 ? 13 OAG ? EA 3EF . ? B 3EF 1630 ? 1_555 ZN ? R ZN . ? B ZN 1001 ? 1_555 OAD ? EA 3EF . ? B 3EF 1630 ? 1_555 66.6 ? 14 PBY ? EA 3EF . ? B 3EF 1630 ? 1_555 ZN ? R ZN . ? B ZN 1001 ? 1_555 OE1 ? B GLU 389 ? B GLU 389 ? 1_555 133.7 ? 15 OAG ? EA 3EF . ? B 3EF 1630 ? 1_555 ZN ? R ZN . ? B ZN 1001 ? 1_555 OE1 ? B GLU 389 ? B GLU 389 ? 1_555 166.7 ? 16 OAD ? EA 3EF . ? B 3EF 1630 ? 1_555 ZN ? R ZN . ? B ZN 1001 ? 1_555 OE1 ? B GLU 389 ? B GLU 389 ? 1_555 100.5 ? 17 PBY ? EA 3EF . ? B 3EF 1630 ? 1_555 ZN ? R ZN . ? B ZN 1001 ? 1_555 NE2 ? B HIS 365 ? B HIS 365 ? 1_555 114.2 ? 18 OAG ? EA 3EF . ? B 3EF 1630 ? 1_555 ZN ? R ZN . ? B ZN 1001 ? 1_555 NE2 ? B HIS 365 ? B HIS 365 ? 1_555 87.7 ? 19 OAD ? EA 3EF . ? B 3EF 1630 ? 1_555 ZN ? R ZN . ? B ZN 1001 ? 1_555 NE2 ? B HIS 365 ? B HIS 365 ? 1_555 140.3 ? 20 OE1 ? B GLU 389 ? B GLU 389 ? 1_555 ZN ? R ZN . ? B ZN 1001 ? 1_555 NE2 ? B HIS 365 ? B HIS 365 ? 1_555 101.4 ? 21 PBY ? EA 3EF . ? B 3EF 1630 ? 1_555 ZN ? R ZN . ? B ZN 1001 ? 1_555 NE2 ? B HIS 361 ? B HIS 361 ? 1_555 105.2 ? 22 OAG ? EA 3EF . ? B 3EF 1630 ? 1_555 ZN ? R ZN . ? B ZN 1001 ? 1_555 NE2 ? B HIS 361 ? B HIS 361 ? 1_555 95.2 ? 23 OAD ? EA 3EF . ? B 3EF 1630 ? 1_555 ZN ? R ZN . ? B ZN 1001 ? 1_555 NE2 ? B HIS 361 ? B HIS 361 ? 1_555 106.3 ? 24 OE1 ? B GLU 389 ? B GLU 389 ? 1_555 ZN ? R ZN . ? B ZN 1001 ? 1_555 NE2 ? B HIS 361 ? B HIS 361 ? 1_555 91.7 ? 25 NE2 ? B HIS 365 ? B HIS 365 ? 1_555 ZN ? R ZN . ? B ZN 1001 ? 1_555 NE2 ? B HIS 361 ? B HIS 361 ? 1_555 105.7 ? # 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 2013-12-11 2 'Structure model' 1 1 2014-02-12 # _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 ? # _pdbx_audit_revision_group.ordinal 1 _pdbx_audit_revision_group.revision_ordinal 2 _pdbx_audit_revision_group.data_content_type 'Structure model' _pdbx_audit_revision_group.group 'Database references' # loop_ _pdbx_refine_tls.pdbx_refine_id _pdbx_refine_tls.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[2][2] _pdbx_refine_tls.T[3][3] _pdbx_refine_tls.T[1][2] _pdbx_refine_tls.T[1][3] _pdbx_refine_tls.T[2][3] _pdbx_refine_tls.L[1][1] _pdbx_refine_tls.L[2][2] _pdbx_refine_tls.L[3][3] _pdbx_refine_tls.L[1][2] _pdbx_refine_tls.L[1][3] _pdbx_refine_tls.L[2][3] _pdbx_refine_tls.S[1][1] _pdbx_refine_tls.S[1][2] _pdbx_refine_tls.S[1][3] _pdbx_refine_tls.S[2][1] _pdbx_refine_tls.S[2][2] _pdbx_refine_tls.S[2][3] _pdbx_refine_tls.S[3][1] _pdbx_refine_tls.S[3][2] _pdbx_refine_tls.S[3][3] 'X-RAY DIFFRACTION' 1 ? refined 1.6929 -15.2834 -18.5488 0.0237 0.0852 0.0280 -0.0133 0.0128 -0.0130 0.3117 0.4220 0.0230 -0.1010 -0.0735 0.0472 0.0493 -0.0082 -0.0234 -0.0572 -0.0415 0.0023 -0.0204 -0.0004 -0.0078 'X-RAY DIFFRACTION' 2 ? refined -1.9989 14.6284 18.6528 0.0271 0.0520 0.0432 -0.0353 0.0174 -0.0240 0.0823 0.4502 0.7934 -0.1871 -0.0931 0.3276 0.0093 0.0083 -0.0116 -0.0109 -0.0335 0.0211 0.0013 -0.0526 0.0242 # loop_ _pdbx_refine_tls_group.pdbx_refine_id _pdbx_refine_tls_group.id _pdbx_refine_tls_group.refine_tls_id _pdbx_refine_tls_group.beg_auth_asym_id _pdbx_refine_tls_group.beg_auth_seq_id _pdbx_refine_tls_group.beg_label_asym_id _pdbx_refine_tls_group.beg_label_seq_id _pdbx_refine_tls_group.end_auth_asym_id _pdbx_refine_tls_group.end_auth_seq_id _pdbx_refine_tls_group.end_label_asym_id _pdbx_refine_tls_group.end_label_seq_id _pdbx_refine_tls_group.selection _pdbx_refine_tls_group.selection_details 'X-RAY DIFFRACTION' 1 1 A 30 ? ? A 1626 ? ? ? ? 'X-RAY DIFFRACTION' 2 2 B 30 ? ? B 1624 ? ? ? ? # loop_ _software.name _software.classification _software.version _software.citation_id _software.pdbx_ordinal REFMAC refinement 5.7.0029 ? 1 XDS 'data reduction' . ? 2 SCALA 'data scaling' . ? 3 PHASER phasing . ? 4 # _pdbx_entry_details.entry_id 4CA6 _pdbx_entry_details.compound_details ? _pdbx_entry_details.source_details ? _pdbx_entry_details.nonpolymer_details ;5,6-DIHYDRO-BENZO[H]CINNOLIN-3-YLAMINE (3EF): CORRESPOND TO ENANTIOMER OF COMPOUND 3ES IN PDB 2XYD ; _pdbx_entry_details.sequence_details ;FINAL CONSTRUCT IS UNDERGLYCOSYALTED MUTANT AND CONTAINS TWO MISMATCH MUTATIONS, P576L AND Q545R ; # loop_ _pdbx_validate_close_contact.id _pdbx_validate_close_contact.PDB_model_num _pdbx_validate_close_contact.auth_atom_id_1 _pdbx_validate_close_contact.auth_asym_id_1 _pdbx_validate_close_contact.auth_comp_id_1 _pdbx_validate_close_contact.auth_seq_id_1 _pdbx_validate_close_contact.PDB_ins_code_1 _pdbx_validate_close_contact.label_alt_id_1 _pdbx_validate_close_contact.auth_atom_id_2 _pdbx_validate_close_contact.auth_asym_id_2 _pdbx_validate_close_contact.auth_comp_id_2 _pdbx_validate_close_contact.auth_seq_id_2 _pdbx_validate_close_contact.PDB_ins_code_2 _pdbx_validate_close_contact.label_alt_id_2 _pdbx_validate_close_contact.dist 1 1 O B HOH 2129 ? ? O B HOH 2130 ? ? 2.07 2 1 OE2 B GLU 262 ? ? O B HOH 2129 ? ? 2.11 3 1 OG B SER 260 ? ? OE1 B GLU 262 ? ? 2.15 4 1 OD1 A ASN 416 ? ? C2 A NAG 1616 ? ? 2.16 # _pdbx_validate_rmsd_angle.id 1 _pdbx_validate_rmsd_angle.PDB_model_num 1 _pdbx_validate_rmsd_angle.auth_atom_id_1 N _pdbx_validate_rmsd_angle.auth_asym_id_1 B _pdbx_validate_rmsd_angle.auth_comp_id_1 PRO _pdbx_validate_rmsd_angle.auth_seq_id_1 130 _pdbx_validate_rmsd_angle.PDB_ins_code_1 ? _pdbx_validate_rmsd_angle.label_alt_id_1 ? _pdbx_validate_rmsd_angle.auth_atom_id_2 CA _pdbx_validate_rmsd_angle.auth_asym_id_2 B _pdbx_validate_rmsd_angle.auth_comp_id_2 PRO _pdbx_validate_rmsd_angle.auth_seq_id_2 130 _pdbx_validate_rmsd_angle.PDB_ins_code_2 ? _pdbx_validate_rmsd_angle.label_alt_id_2 ? _pdbx_validate_rmsd_angle.auth_atom_id_3 CB _pdbx_validate_rmsd_angle.auth_asym_id_3 B _pdbx_validate_rmsd_angle.auth_comp_id_3 PRO _pdbx_validate_rmsd_angle.auth_seq_id_3 130 _pdbx_validate_rmsd_angle.PDB_ins_code_3 ? _pdbx_validate_rmsd_angle.label_alt_id_3 ? _pdbx_validate_rmsd_angle.angle_value 111.14 _pdbx_validate_rmsd_angle.angle_target_value 103.30 _pdbx_validate_rmsd_angle.angle_deviation 7.84 _pdbx_validate_rmsd_angle.angle_standard_deviation 1.20 _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 A 45 ? ? -171.23 77.47 2 1 ASN A 203 ? ? 35.73 52.67 3 1 ARG A 340 ? ? 57.26 16.92 4 1 LYS A 341 ? ? -132.70 -41.51 5 1 ARG A 413 ? ? -33.27 124.61 6 1 ASN A 416 ? ? -87.09 48.75 7 1 ASN B 45 ? ? -174.03 78.58 8 1 ALA B 134 ? ? -98.98 -137.21 9 1 ASN B 203 ? ? 33.31 54.70 10 1 ASP B 324 ? ? -66.90 -172.43 11 1 GLN B 575 ? ? -26.98 -54.46 12 1 ASP B 605 ? ? -35.86 -75.63 13 1 ASN B 606 ? ? -114.78 50.81 # _pdbx_validate_chiral.id 1 _pdbx_validate_chiral.PDB_model_num 1 _pdbx_validate_chiral.auth_atom_id C1 _pdbx_validate_chiral.label_alt_id ? _pdbx_validate_chiral.auth_asym_id A _pdbx_validate_chiral.auth_comp_id NAG _pdbx_validate_chiral.auth_seq_id 1616 _pdbx_validate_chiral.PDB_ins_code ? _pdbx_validate_chiral.details PLANAR _pdbx_validate_chiral.omega . # loop_ _pdbx_unobs_or_zero_occ_atoms.id _pdbx_unobs_or_zero_occ_atoms.PDB_model_num _pdbx_unobs_or_zero_occ_atoms.polymer_flag _pdbx_unobs_or_zero_occ_atoms.occupancy_flag _pdbx_unobs_or_zero_occ_atoms.auth_asym_id _pdbx_unobs_or_zero_occ_atoms.auth_comp_id _pdbx_unobs_or_zero_occ_atoms.auth_seq_id _pdbx_unobs_or_zero_occ_atoms.PDB_ins_code _pdbx_unobs_or_zero_occ_atoms.auth_atom_id _pdbx_unobs_or_zero_occ_atoms.label_alt_id _pdbx_unobs_or_zero_occ_atoms.label_asym_id _pdbx_unobs_or_zero_occ_atoms.label_comp_id _pdbx_unobs_or_zero_occ_atoms.label_seq_id _pdbx_unobs_or_zero_occ_atoms.label_atom_id 1 1 Y 1 A LYS 132 ? CG ? A LYS 132 CG 2 1 Y 1 A LYS 132 ? CD ? A LYS 132 CD 3 1 Y 1 A LYS 132 ? CE ? A LYS 132 CE 4 1 Y 1 A LYS 132 ? NZ ? A LYS 132 NZ 5 1 Y 1 B GLN 70 ? CD ? B GLN 70 CD 6 1 Y 1 B GLN 70 ? OE1 ? B GLN 70 OE1 7 1 Y 1 B GLN 70 ? NE2 ? B GLN 70 NE2 8 1 Y 1 B PRO 130 ? CG ? B PRO 130 CG 9 1 Y 1 B PRO 130 ? CD ? B PRO 130 CD 10 1 N 1 A PG4 1625 ? C7 ? O PG4 1 C7 11 1 N 1 A PG4 1625 ? C8 ? O PG4 1 C8 12 1 N 1 A PG4 1625 ? O5 ? O PG4 1 O5 # 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 A PRO 130 ? A PRO 130 2 1 Y 1 A ASN 131 ? A ASN 131 3 1 Y 1 B ASN 131 ? B ASN 131 4 1 Y 1 B LYS 132 ? B LYS 132 # loop_ _pdbx_entity_nonpoly.entity_id _pdbx_entity_nonpoly.name _pdbx_entity_nonpoly.comp_id 2 'ZINC ION' ZN 3 'CHLORIDE ION' CL 4 ALPHA-L-FUCOSE FUC 5 N-ACETYL-D-GLUCOSAMINE NAG 6 BETA-D-MANNOSE BMA 7 'DI(HYDROXYETHYL)ETHER' PEG 8 'TETRAETHYLENE GLYCOL' PG4 9 ;N-{(2S)-3-[(S)-[(1R)-1-{[(benzyloxy)carbonyl]amino}-2-phenylethyl](hydroxy)phosphoryl]-2-[(3-phenyl-1,2-oxazol-5-yl)methyl]propanoyl}-L-tyrosine ; 3EF 10 'HEXAETHYLENE GLYCOL' P6G 11 water HOH #