data_5EIE # _entry.id 5EIE # _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 5EIE WWPDB D_1000214959 # _pdbx_database_status.status_code REL _pdbx_database_status.status_code_sf REL _pdbx_database_status.status_code_mr ? _pdbx_database_status.entry_id 5EIE _pdbx_database_status.recvd_initial_deposition_date 2015-10-29 _pdbx_database_status.SG_entry N _pdbx_database_status.deposit_site RCSB _pdbx_database_status.process_site PDBE _pdbx_database_status.status_code_cs ? _pdbx_database_status.methods_development_category ? _pdbx_database_status.pdb_format_compatible Y # loop_ _audit_author.name _audit_author.pdbx_ordinal 'Bourne, Y.' 1 'Marchot, P.' 2 # _citation.abstract ? _citation.abstract_id_CAS ? _citation.book_id_ISBN ? _citation.book_publisher ? _citation.book_publisher_city ? _citation.book_title ? _citation.coordinate_linkage ? _citation.country US _citation.database_id_Medline ? _citation.details ? _citation.id primary _citation.journal_abbrev J.Am.Chem.Soc. _citation.journal_id_ASTM JACSAT _citation.journal_id_CSD ? _citation.journal_id_ISSN 1520-5126 _citation.journal_full ? _citation.journal_issue ? _citation.journal_volume 138 _citation.language ? _citation.page_first 1611 _citation.page_last 1621 _citation.title 'Steric and Dynamic Parameters Influencing In Situ Cycloadditions to Form Triazole Inhibitors with Crystalline Acetylcholinesterase.' _citation.year 2016 _citation.database_id_CSD ? _citation.pdbx_database_id_DOI 10.1021/jacs.5b11384 _citation.pdbx_database_id_PubMed 26731630 _citation.unpublished_flag ? # loop_ _citation_author.citation_id _citation_author.name _citation_author.ordinal primary 'Bourne, Y.' 1 primary 'Sharpless, K.B.' 2 primary 'Taylor, P.' 3 primary 'Marchot, P.' 4 # _cell.angle_alpha 90.00 _cell.angle_alpha_esd ? _cell.angle_beta 90.00 _cell.angle_beta_esd ? _cell.angle_gamma 90.00 _cell.angle_gamma_esd ? _cell.entry_id 5EIE _cell.details ? _cell.formula_units_Z ? _cell.length_a 79.660 _cell.length_a_esd ? _cell.length_b 113.120 _cell.length_b_esd ? _cell.length_c 226.390 _cell.length_c_esd ? _cell.volume ? _cell.volume_esd ? _cell.Z_PDB 8 _cell.reciprocal_angle_alpha ? _cell.reciprocal_angle_beta ? _cell.reciprocal_angle_gamma ? _cell.reciprocal_angle_alpha_esd ? _cell.reciprocal_angle_beta_esd ? _cell.reciprocal_angle_gamma_esd ? _cell.reciprocal_length_a ? _cell.reciprocal_length_b ? _cell.reciprocal_length_c ? _cell.reciprocal_length_a_esd ? _cell.reciprocal_length_b_esd ? _cell.reciprocal_length_c_esd ? _cell.pdbx_unique_axis ? # _symmetry.entry_id 5EIE _symmetry.cell_setting ? _symmetry.Int_Tables_number 19 _symmetry.space_group_name_Hall ? _symmetry.space_group_name_H-M 'P 21 21 21' _symmetry.pdbx_full_space_group_name_H-M ? # loop_ _entity.id _entity.type _entity.src_method _entity.pdbx_description _entity.formula_weight _entity.pdbx_number_of_molecules _entity.pdbx_ec _entity.pdbx_mutation _entity.pdbx_fragment _entity.details 1 polymer man Acetylcholinesterase 59764.488 2 3.1.1.7 ? ? ? 2 non-polymer man N-ACETYL-D-GLUCOSAMINE 221.208 5 ? ? ? ? 3 non-polymer man ALPHA-L-FUCOSE 164.156 1 ? ? ? ? 4 non-polymer syn '~{N}-(2-azidoethyl)-1,2,3,4-tetrahydroacridin-9-amine' 267.329 2 ? ? ? ? 5 non-polymer syn 'ACETATE ION' 59.044 2 ? ? ? ? 6 non-polymer syn 'TETRAETHYLENE GLYCOL' 194.226 2 ? ? ? ? 7 non-polymer syn 'CHLORIDE ION' 35.453 1 ? ? ? ? 8 non-polymer syn 2,5,8,11,14,17,20,23-OCTAOXAPENTACOSAN-25-OL 384.462 1 ? ? ? ? 9 water nat water 18.015 669 ? ? ? ? # _entity_name_com.entity_id 1 _entity_name_com.name AChE # _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 ;EGREDPQLLVRVRGGQLRGIRLKAPGGPVSAFLGIPFAEPPVGSRRFMPPEPKRPWSGVLDATTFQNVCYQYVDTLYPGF EGTEMWNPNRELSEDCLYLNVWTPYPRPASPTPVLIWIYGGGFYSGAASLDVYDGRFLAQVEGAVLVSMNYRVGTFGFLA LPGSREAPGNVGLLDQRLALQWVQENIAAFGGDPMSVTLFGESAGAASVGMHILSLPSRSLFHRAVLQSGTPNGPWATVS AGEARRRATLLARLVGCPPGGAGGNDTELIACLRTRPAQDLVDHEWHVLPQESIFRFSFVPVVDGDFLSDTPEALINTGD FQDLQVLVGVVKDEGSYFLVYGVPGFSKDNESLISRAQFLAGVRIGVPQASDLAAEAVVLHYTDWLHPEDPTHLRDAMSA VVGDHNVVCPVAQLAGRLAAQGARVYAYIFEHRASTLTWPLWMGVPHGYEIEFIFGLPLDPSLNYTTEERIFAQRLMKYW TNFARTGDPNDPRDSKSPQWPPYTTAAQQYVSLNLKPLEVRRGLRAQTCAFWNRFLPKLLSAT ; _entity_poly.pdbx_seq_one_letter_code_can ;EGREDPQLLVRVRGGQLRGIRLKAPGGPVSAFLGIPFAEPPVGSRRFMPPEPKRPWSGVLDATTFQNVCYQYVDTLYPGF EGTEMWNPNRELSEDCLYLNVWTPYPRPASPTPVLIWIYGGGFYSGAASLDVYDGRFLAQVEGAVLVSMNYRVGTFGFLA LPGSREAPGNVGLLDQRLALQWVQENIAAFGGDPMSVTLFGESAGAASVGMHILSLPSRSLFHRAVLQSGTPNGPWATVS AGEARRRATLLARLVGCPPGGAGGNDTELIACLRTRPAQDLVDHEWHVLPQESIFRFSFVPVVDGDFLSDTPEALINTGD FQDLQVLVGVVKDEGSYFLVYGVPGFSKDNESLISRAQFLAGVRIGVPQASDLAAEAVVLHYTDWLHPEDPTHLRDAMSA VVGDHNVVCPVAQLAGRLAAQGARVYAYIFEHRASTLTWPLWMGVPHGYEIEFIFGLPLDPSLNYTTEERIFAQRLMKYW TNFARTGDPNDPRDSKSPQWPPYTTAAQQYVSLNLKPLEVRRGLRAQTCAFWNRFLPKLLSAT ; _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 GLU n 1 2 GLY n 1 3 ARG n 1 4 GLU n 1 5 ASP n 1 6 PRO n 1 7 GLN n 1 8 LEU n 1 9 LEU n 1 10 VAL n 1 11 ARG n 1 12 VAL n 1 13 ARG n 1 14 GLY n 1 15 GLY n 1 16 GLN n 1 17 LEU n 1 18 ARG n 1 19 GLY n 1 20 ILE n 1 21 ARG n 1 22 LEU n 1 23 LYS n 1 24 ALA n 1 25 PRO n 1 26 GLY n 1 27 GLY n 1 28 PRO n 1 29 VAL n 1 30 SER n 1 31 ALA n 1 32 PHE n 1 33 LEU n 1 34 GLY n 1 35 ILE n 1 36 PRO n 1 37 PHE n 1 38 ALA n 1 39 GLU n 1 40 PRO n 1 41 PRO n 1 42 VAL n 1 43 GLY n 1 44 SER n 1 45 ARG n 1 46 ARG n 1 47 PHE n 1 48 MET n 1 49 PRO n 1 50 PRO n 1 51 GLU n 1 52 PRO n 1 53 LYS n 1 54 ARG n 1 55 PRO n 1 56 TRP n 1 57 SER n 1 58 GLY n 1 59 VAL n 1 60 LEU n 1 61 ASP n 1 62 ALA n 1 63 THR n 1 64 THR n 1 65 PHE n 1 66 GLN n 1 67 ASN n 1 68 VAL n 1 69 CYS n 1 70 TYR n 1 71 GLN n 1 72 TYR n 1 73 VAL n 1 74 ASP n 1 75 THR n 1 76 LEU n 1 77 TYR n 1 78 PRO n 1 79 GLY n 1 80 PHE n 1 81 GLU n 1 82 GLY n 1 83 THR n 1 84 GLU n 1 85 MET n 1 86 TRP n 1 87 ASN n 1 88 PRO n 1 89 ASN n 1 90 ARG n 1 91 GLU n 1 92 LEU n 1 93 SER n 1 94 GLU n 1 95 ASP n 1 96 CYS n 1 97 LEU n 1 98 TYR n 1 99 LEU n 1 100 ASN n 1 101 VAL n 1 102 TRP n 1 103 THR n 1 104 PRO n 1 105 TYR n 1 106 PRO n 1 107 ARG n 1 108 PRO n 1 109 ALA n 1 110 SER n 1 111 PRO n 1 112 THR n 1 113 PRO n 1 114 VAL n 1 115 LEU n 1 116 ILE n 1 117 TRP n 1 118 ILE n 1 119 TYR n 1 120 GLY n 1 121 GLY n 1 122 GLY n 1 123 PHE n 1 124 TYR n 1 125 SER n 1 126 GLY n 1 127 ALA n 1 128 ALA n 1 129 SER n 1 130 LEU n 1 131 ASP n 1 132 VAL n 1 133 TYR n 1 134 ASP n 1 135 GLY n 1 136 ARG n 1 137 PHE n 1 138 LEU n 1 139 ALA n 1 140 GLN n 1 141 VAL n 1 142 GLU n 1 143 GLY n 1 144 ALA n 1 145 VAL n 1 146 LEU n 1 147 VAL n 1 148 SER n 1 149 MET n 1 150 ASN n 1 151 TYR n 1 152 ARG n 1 153 VAL n 1 154 GLY n 1 155 THR n 1 156 PHE n 1 157 GLY n 1 158 PHE n 1 159 LEU n 1 160 ALA n 1 161 LEU n 1 162 PRO n 1 163 GLY n 1 164 SER n 1 165 ARG n 1 166 GLU n 1 167 ALA n 1 168 PRO n 1 169 GLY n 1 170 ASN n 1 171 VAL n 1 172 GLY n 1 173 LEU n 1 174 LEU n 1 175 ASP n 1 176 GLN n 1 177 ARG n 1 178 LEU n 1 179 ALA n 1 180 LEU n 1 181 GLN n 1 182 TRP n 1 183 VAL n 1 184 GLN n 1 185 GLU n 1 186 ASN n 1 187 ILE n 1 188 ALA n 1 189 ALA n 1 190 PHE n 1 191 GLY n 1 192 GLY n 1 193 ASP n 1 194 PRO n 1 195 MET n 1 196 SER n 1 197 VAL n 1 198 THR n 1 199 LEU n 1 200 PHE n 1 201 GLY n 1 202 GLU n 1 203 SER n 1 204 ALA n 1 205 GLY n 1 206 ALA n 1 207 ALA n 1 208 SER n 1 209 VAL n 1 210 GLY n 1 211 MET n 1 212 HIS n 1 213 ILE n 1 214 LEU n 1 215 SER n 1 216 LEU n 1 217 PRO n 1 218 SER n 1 219 ARG n 1 220 SER n 1 221 LEU n 1 222 PHE n 1 223 HIS n 1 224 ARG n 1 225 ALA n 1 226 VAL n 1 227 LEU n 1 228 GLN n 1 229 SER n 1 230 GLY n 1 231 THR n 1 232 PRO n 1 233 ASN n 1 234 GLY n 1 235 PRO n 1 236 TRP n 1 237 ALA n 1 238 THR n 1 239 VAL n 1 240 SER n 1 241 ALA n 1 242 GLY n 1 243 GLU n 1 244 ALA n 1 245 ARG n 1 246 ARG n 1 247 ARG n 1 248 ALA n 1 249 THR n 1 250 LEU n 1 251 LEU n 1 252 ALA n 1 253 ARG n 1 254 LEU n 1 255 VAL n 1 256 GLY n 1 257 CYS n 1 258 PRO n 1 259 PRO n 1 260 GLY n 1 261 GLY n 1 262 ALA n 1 263 GLY n 1 264 GLY n 1 265 ASN n 1 266 ASP n 1 267 THR n 1 268 GLU n 1 269 LEU n 1 270 ILE n 1 271 ALA n 1 272 CYS n 1 273 LEU n 1 274 ARG n 1 275 THR n 1 276 ARG n 1 277 PRO n 1 278 ALA n 1 279 GLN n 1 280 ASP n 1 281 LEU n 1 282 VAL n 1 283 ASP n 1 284 HIS n 1 285 GLU n 1 286 TRP n 1 287 HIS n 1 288 VAL n 1 289 LEU n 1 290 PRO n 1 291 GLN n 1 292 GLU n 1 293 SER n 1 294 ILE n 1 295 PHE n 1 296 ARG n 1 297 PHE n 1 298 SER n 1 299 PHE n 1 300 VAL n 1 301 PRO n 1 302 VAL n 1 303 VAL n 1 304 ASP n 1 305 GLY n 1 306 ASP n 1 307 PHE n 1 308 LEU n 1 309 SER n 1 310 ASP n 1 311 THR n 1 312 PRO n 1 313 GLU n 1 314 ALA n 1 315 LEU n 1 316 ILE n 1 317 ASN n 1 318 THR n 1 319 GLY n 1 320 ASP n 1 321 PHE n 1 322 GLN n 1 323 ASP n 1 324 LEU n 1 325 GLN n 1 326 VAL n 1 327 LEU n 1 328 VAL n 1 329 GLY n 1 330 VAL n 1 331 VAL n 1 332 LYS n 1 333 ASP n 1 334 GLU n 1 335 GLY n 1 336 SER n 1 337 TYR n 1 338 PHE n 1 339 LEU n 1 340 VAL n 1 341 TYR n 1 342 GLY n 1 343 VAL n 1 344 PRO n 1 345 GLY n 1 346 PHE n 1 347 SER n 1 348 LYS n 1 349 ASP n 1 350 ASN n 1 351 GLU n 1 352 SER n 1 353 LEU n 1 354 ILE n 1 355 SER n 1 356 ARG n 1 357 ALA n 1 358 GLN n 1 359 PHE n 1 360 LEU n 1 361 ALA n 1 362 GLY n 1 363 VAL n 1 364 ARG n 1 365 ILE n 1 366 GLY n 1 367 VAL n 1 368 PRO n 1 369 GLN n 1 370 ALA n 1 371 SER n 1 372 ASP n 1 373 LEU n 1 374 ALA n 1 375 ALA n 1 376 GLU n 1 377 ALA n 1 378 VAL n 1 379 VAL n 1 380 LEU n 1 381 HIS n 1 382 TYR n 1 383 THR n 1 384 ASP n 1 385 TRP n 1 386 LEU n 1 387 HIS n 1 388 PRO n 1 389 GLU n 1 390 ASP n 1 391 PRO n 1 392 THR n 1 393 HIS n 1 394 LEU n 1 395 ARG n 1 396 ASP n 1 397 ALA n 1 398 MET n 1 399 SER n 1 400 ALA n 1 401 VAL n 1 402 VAL n 1 403 GLY n 1 404 ASP n 1 405 HIS n 1 406 ASN n 1 407 VAL n 1 408 VAL n 1 409 CYS n 1 410 PRO n 1 411 VAL n 1 412 ALA n 1 413 GLN n 1 414 LEU n 1 415 ALA n 1 416 GLY n 1 417 ARG n 1 418 LEU n 1 419 ALA n 1 420 ALA n 1 421 GLN n 1 422 GLY n 1 423 ALA n 1 424 ARG n 1 425 VAL n 1 426 TYR n 1 427 ALA n 1 428 TYR n 1 429 ILE n 1 430 PHE n 1 431 GLU n 1 432 HIS n 1 433 ARG n 1 434 ALA n 1 435 SER n 1 436 THR n 1 437 LEU n 1 438 THR n 1 439 TRP n 1 440 PRO n 1 441 LEU n 1 442 TRP n 1 443 MET n 1 444 GLY n 1 445 VAL n 1 446 PRO n 1 447 HIS n 1 448 GLY n 1 449 TYR n 1 450 GLU n 1 451 ILE n 1 452 GLU n 1 453 PHE n 1 454 ILE n 1 455 PHE n 1 456 GLY n 1 457 LEU n 1 458 PRO n 1 459 LEU n 1 460 ASP n 1 461 PRO n 1 462 SER n 1 463 LEU n 1 464 ASN n 1 465 TYR n 1 466 THR n 1 467 THR n 1 468 GLU n 1 469 GLU n 1 470 ARG n 1 471 ILE n 1 472 PHE n 1 473 ALA n 1 474 GLN n 1 475 ARG n 1 476 LEU n 1 477 MET n 1 478 LYS n 1 479 TYR n 1 480 TRP n 1 481 THR n 1 482 ASN n 1 483 PHE n 1 484 ALA n 1 485 ARG n 1 486 THR n 1 487 GLY n 1 488 ASP n 1 489 PRO n 1 490 ASN n 1 491 ASP n 1 492 PRO n 1 493 ARG n 1 494 ASP n 1 495 SER n 1 496 LYS n 1 497 SER n 1 498 PRO n 1 499 GLN n 1 500 TRP n 1 501 PRO n 1 502 PRO n 1 503 TYR n 1 504 THR n 1 505 THR n 1 506 ALA n 1 507 ALA n 1 508 GLN n 1 509 GLN n 1 510 TYR n 1 511 VAL n 1 512 SER n 1 513 LEU n 1 514 ASN n 1 515 LEU n 1 516 LYS n 1 517 PRO n 1 518 LEU n 1 519 GLU n 1 520 VAL n 1 521 ARG n 1 522 ARG n 1 523 GLY n 1 524 LEU n 1 525 ARG n 1 526 ALA n 1 527 GLN n 1 528 THR n 1 529 CYS n 1 530 ALA n 1 531 PHE n 1 532 TRP n 1 533 ASN n 1 534 ARG n 1 535 PHE n 1 536 LEU n 1 537 PRO n 1 538 LYS n 1 539 LEU n 1 540 LEU n 1 541 SER n 1 542 ALA n 1 543 THR 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 'Biological sequence' _entity_src_gen.pdbx_beg_seq_num 1 _entity_src_gen.pdbx_end_seq_num 543 _entity_src_gen.gene_src_common_name 'House Mouse' _entity_src_gen.gene_src_genus ? _entity_src_gen.pdbx_gene_src_gene Ache _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 'Mus musculus' _entity_src_gen.pdbx_gene_src_ncbi_taxonomy_id 10090 _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 Human _entity_src_gen.pdbx_host_org_scientific_name 'Homo sapiens' _entity_src_gen.pdbx_host_org_ncbi_taxonomy_id 9606 _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 HEK293 _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 ACES_MOUSE _struct_ref.pdbx_db_accession P21836 _struct_ref.pdbx_db_isoform ? _struct_ref.entity_id 1 _struct_ref.pdbx_seq_one_letter_code ;EGREDPQLLVRVRGGQLRGIRLKAPGGPVSAFLGIPFAEPPVGSRRFMPPEPKRPWSGVLDATTFQNVCYQYVDTLYPGF EGTEMWNPNRELSEDCLYLNVWTPYPRPASPTPVLIWIYGGGFYSGAASLDVYDGRFLAQVEGAVLVSMNYRVGTFGFLA LPGSREAPGNVGLLDQRLALQWVQENIAAFGGDPMSVTLFGESAGAASVGMHILSLPSRSLFHRAVLQSGTPNGPWATVS AGEARRRATLLARLVGCPPGGAGGNDTELIACLRTRPAQDLVDHEWHVLPQESIFRFSFVPVVDGDFLSDTPEALINTGD FQDLQVLVGVVKDEGSYFLVYGVPGFSKDNESLISRAQFLAGVRIGVPQASDLAAEAVVLHYTDWLHPEDPTHLRDAMSA VVGDHNVVCPVAQLAGRLAAQGARVYAYIFEHRASTLTWPLWMGVPHGYEIEFIFGLPLDPSLNYTTEERIFAQRLMKYW TNFARTGDPNDPRDSKSPQWPPYTTAAQQYVSLNLKPLEVRRGLRAQTCAFWNRFLPKLLSAT ; _struct_ref.pdbx_align_begin 32 # 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 5EIE A 1 ? 543 ? P21836 32 ? 574 ? 1 543 2 1 5EIE B 1 ? 543 ? P21836 32 ? 574 ? 1 543 # 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 7PG non-polymer . 2,5,8,11,14,17,20,23-OCTAOXAPENTACOSAN-25-OL ? 'C17 H36 O9' 384.462 ACT non-polymer . 'ACETATE ION' ? 'C2 H3 O2 -1' 59.044 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 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 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 TZ2 non-polymer . '~{N}-(2-azidoethyl)-1,2,3,4-tetrahydroacridin-9-amine' ? 'C15 H17 N5' 267.329 VAL 'L-peptide linking' y VALINE ? 'C5 H11 N O2' 117.146 # _exptl.absorpt_coefficient_mu ? _exptl.absorpt_correction_T_max ? _exptl.absorpt_correction_T_min ? _exptl.absorpt_correction_type ? _exptl.absorpt_process_details ? _exptl.entry_id 5EIE _exptl.crystals_number ? _exptl.details ? _exptl.method 'X-RAY DIFFRACTION' _exptl.method_details ? # _exptl_crystal.colour ? _exptl_crystal.density_diffrn ? _exptl_crystal.density_Matthews 4.27 _exptl_crystal.density_method ? _exptl_crystal.density_percent_sol 71.17 _exptl_crystal.description ? _exptl_crystal.F_000 ? _exptl_crystal.id 1 _exptl_crystal.preparation ? _exptl_crystal.size_max ? _exptl_crystal.size_mid ? _exptl_crystal.size_min ? _exptl_crystal.size_rad ? _exptl_crystal.colour_lustre ? _exptl_crystal.colour_modifier ? _exptl_crystal.colour_primary ? _exptl_crystal.density_meas ? _exptl_crystal.density_meas_esd ? _exptl_crystal.density_meas_gt ? _exptl_crystal.density_meas_lt ? _exptl_crystal.density_meas_temp ? _exptl_crystal.density_meas_temp_esd ? _exptl_crystal.density_meas_temp_gt ? _exptl_crystal.density_meas_temp_lt ? _exptl_crystal.pdbx_crystal_image_url ? _exptl_crystal.pdbx_crystal_image_format ? _exptl_crystal.pdbx_mosaicity ? _exptl_crystal.pdbx_mosaicity_esd ? # _exptl_crystal_grow.apparatus ? _exptl_crystal_grow.atmosphere ? _exptl_crystal_grow.crystal_id 1 _exptl_crystal_grow.details ? _exptl_crystal_grow.method 'VAPOR DIFFUSION, HANGING DROP' _exptl_crystal_grow.method_ref ? _exptl_crystal_grow.pH ? _exptl_crystal_grow.pressure ? _exptl_crystal_grow.pressure_esd ? _exptl_crystal_grow.seeding ? _exptl_crystal_grow.seeding_ref ? _exptl_crystal_grow.temp 277 _exptl_crystal_grow.temp_details ? _exptl_crystal_grow.temp_esd ? _exptl_crystal_grow.time ? _exptl_crystal_grow.pdbx_details '25-30% PEG 550 MME or PEG 600, 60-100 mM Hepes or sodium acetate' _exptl_crystal_grow.pdbx_pH_range 6.5-8.0 # _diffrn.ambient_environment ? _diffrn.ambient_temp 100 _diffrn.ambient_temp_details ? _diffrn.ambient_temp_esd ? _diffrn.crystal_id 1 _diffrn.crystal_support ? _diffrn.crystal_treatment ? _diffrn.details ? _diffrn.id 1 _diffrn.ambient_pressure ? _diffrn.ambient_pressure_esd ? _diffrn.ambient_pressure_gt ? _diffrn.ambient_pressure_lt ? _diffrn.ambient_temp_gt ? _diffrn.ambient_temp_lt ? # _diffrn_detector.details ? _diffrn_detector.detector CCD _diffrn_detector.diffrn_id 1 _diffrn_detector.type 'ADSC QUANTUM 4' _diffrn_detector.area_resol_mean ? _diffrn_detector.dtime ? _diffrn_detector.pdbx_frames_total ? _diffrn_detector.pdbx_collection_time_total ? _diffrn_detector.pdbx_collection_date 2006-06-26 # _diffrn_radiation.collimation ? _diffrn_radiation.diffrn_id 1 _diffrn_radiation.filter_edge ? _diffrn_radiation.inhomogeneity ? _diffrn_radiation.monochromator ? _diffrn_radiation.polarisn_norm ? _diffrn_radiation.polarisn_ratio ? _diffrn_radiation.probe ? _diffrn_radiation.type ? _diffrn_radiation.xray_symbol ? _diffrn_radiation.wavelength_id 1 _diffrn_radiation.pdbx_monochromatic_or_laue_m_l M _diffrn_radiation.pdbx_wavelength_list ? _diffrn_radiation.pdbx_wavelength ? _diffrn_radiation.pdbx_diffrn_protocol 'SINGLE WAVELENGTH' _diffrn_radiation.pdbx_analyzer ? _diffrn_radiation.pdbx_scattering_type x-ray # _diffrn_radiation_wavelength.id 1 _diffrn_radiation_wavelength.wavelength 0.931 _diffrn_radiation_wavelength.wt 1.0 # _diffrn_source.current ? _diffrn_source.details ? _diffrn_source.diffrn_id 1 _diffrn_source.power ? _diffrn_source.size ? _diffrn_source.source SYNCHROTRON _diffrn_source.target ? _diffrn_source.type 'ESRF BEAMLINE ID14-3' _diffrn_source.voltage ? _diffrn_source.take-off_angle ? _diffrn_source.pdbx_wavelength_list 0.931 _diffrn_source.pdbx_wavelength ? _diffrn_source.pdbx_synchrotron_beamline ID14-3 _diffrn_source.pdbx_synchrotron_site ESRF # _reflns.B_iso_Wilson_estimate 40.08 _reflns.entry_id 5EIE _reflns.data_reduction_details ? _reflns.data_reduction_method ? _reflns.d_resolution_high 2.1 _reflns.d_resolution_low 46. _reflns.details ? _reflns.limit_h_max ? _reflns.limit_h_min ? _reflns.limit_k_max ? _reflns.limit_k_min ? _reflns.limit_l_max ? _reflns.limit_l_min ? _reflns.number_all ? _reflns.number_obs 115553 _reflns.observed_criterion ? _reflns.observed_criterion_F_max ? _reflns.observed_criterion_F_min ? _reflns.observed_criterion_I_max ? _reflns.observed_criterion_I_min ? _reflns.observed_criterion_sigma_F ? _reflns.observed_criterion_sigma_I ? _reflns.percent_possible_obs 96.6 _reflns.R_free_details ? _reflns.Rmerge_F_all ? _reflns.Rmerge_F_obs ? _reflns.Friedel_coverage ? _reflns.number_gt ? _reflns.threshold_expression ? _reflns.pdbx_redundancy 6.6 _reflns.pdbx_Rmerge_I_obs ? _reflns.pdbx_Rmerge_I_all ? _reflns.pdbx_Rsym_value 0.055 _reflns.pdbx_netI_over_av_sigmaI ? _reflns.pdbx_netI_over_sigmaI 22.7 _reflns.pdbx_res_netI_over_av_sigmaI_2 ? _reflns.pdbx_res_netI_over_sigmaI_2 ? _reflns.pdbx_chi_squared ? _reflns.pdbx_scaling_rejects ? _reflns.pdbx_d_res_high_opt ? _reflns.pdbx_d_res_low_opt ? _reflns.pdbx_d_res_opt_method ? _reflns.phase_calculation_details ? _reflns.pdbx_Rrim_I_all ? _reflns.pdbx_Rpim_I_all ? _reflns.pdbx_d_opt ? _reflns.pdbx_number_measured_all ? _reflns.pdbx_diffrn_id 1 _reflns.pdbx_ordinal 1 _reflns.pdbx_CC_half ? _reflns.pdbx_R_split ? # _reflns_shell.d_res_high 2.1 _reflns_shell.d_res_low 2.21 _reflns_shell.meanI_over_sigI_all ? _reflns_shell.meanI_over_sigI_obs 3.6 _reflns_shell.number_measured_all ? _reflns_shell.number_measured_obs ? _reflns_shell.number_possible ? _reflns_shell.number_unique_all ? _reflns_shell.number_unique_obs ? _reflns_shell.percent_possible_all 84.4 _reflns_shell.percent_possible_obs ? _reflns_shell.Rmerge_F_all ? _reflns_shell.Rmerge_F_obs ? _reflns_shell.Rmerge_I_all ? _reflns_shell.Rmerge_I_obs 0.597 _reflns_shell.meanI_over_sigI_gt ? _reflns_shell.meanI_over_uI_all ? _reflns_shell.meanI_over_uI_gt ? _reflns_shell.number_measured_gt ? _reflns_shell.number_unique_gt ? _reflns_shell.percent_possible_gt ? _reflns_shell.Rmerge_F_gt ? _reflns_shell.Rmerge_I_gt ? _reflns_shell.pdbx_redundancy 6.2 _reflns_shell.pdbx_Rsym_value ? _reflns_shell.pdbx_chi_squared ? _reflns_shell.pdbx_netI_over_sigmaI_all ? _reflns_shell.pdbx_netI_over_sigmaI_obs ? _reflns_shell.pdbx_Rrim_I_all ? _reflns_shell.pdbx_Rpim_I_all ? _reflns_shell.pdbx_rejects ? _reflns_shell.pdbx_ordinal 1 _reflns_shell.pdbx_diffrn_id 1 _reflns_shell.pdbx_CC_half ? _reflns_shell.pdbx_R_split ? # _refine.aniso_B[1][1] -9.1620 _refine.aniso_B[1][2] 0.0000 _refine.aniso_B[1][3] 0.0000 _refine.aniso_B[2][2] -6.8542 _refine.aniso_B[2][3] 0.0000 _refine.aniso_B[3][3] 16.0162 _refine.B_iso_max ? _refine.B_iso_mean 50.43 _refine.B_iso_min ? _refine.correlation_coeff_Fo_to_Fc 0.9402 _refine.correlation_coeff_Fo_to_Fc_free 0.9327 _refine.details ? _refine.diff_density_max ? _refine.diff_density_max_esd ? _refine.diff_density_min ? _refine.diff_density_min_esd ? _refine.diff_density_rms ? _refine.diff_density_rms_esd ? _refine.entry_id 5EIE _refine.pdbx_refine_id 'X-RAY DIFFRACTION' _refine.ls_abs_structure_details ? _refine.ls_abs_structure_Flack ? _refine.ls_abs_structure_Flack_esd ? _refine.ls_abs_structure_Rogers ? _refine.ls_abs_structure_Rogers_esd ? _refine.ls_d_res_high 2.10 _refine.ls_d_res_low 46. _refine.ls_extinction_coef ? _refine.ls_extinction_coef_esd ? _refine.ls_extinction_expression ? _refine.ls_extinction_method ? _refine.ls_goodness_of_fit_all ? _refine.ls_goodness_of_fit_all_esd ? _refine.ls_goodness_of_fit_obs ? _refine.ls_goodness_of_fit_obs_esd ? _refine.ls_hydrogen_treatment ? _refine.ls_matrix_type ? _refine.ls_number_constraints ? _refine.ls_number_parameters ? _refine.ls_number_reflns_all ? _refine.ls_number_reflns_obs 115553 _refine.ls_number_reflns_R_free 2294 _refine.ls_number_reflns_R_work ? _refine.ls_number_restraints ? _refine.ls_percent_reflns_obs 96.36 _refine.ls_percent_reflns_R_free 1.99 _refine.ls_R_factor_all ? _refine.ls_R_factor_obs 0.1759 _refine.ls_R_factor_R_free 0.1934 _refine.ls_R_factor_R_free_error ? _refine.ls_R_factor_R_free_error_details ? _refine.ls_R_factor_R_work 0.1756 _refine.ls_R_Fsqd_factor_obs ? _refine.ls_R_I_factor_obs ? _refine.ls_redundancy_reflns_all ? _refine.ls_redundancy_reflns_obs ? _refine.ls_restrained_S_all ? _refine.ls_restrained_S_obs ? _refine.ls_shift_over_esd_max ? _refine.ls_shift_over_esd_mean ? _refine.ls_structure_factor_coef ? _refine.ls_weighting_details ? _refine.ls_weighting_scheme ? _refine.ls_wR_factor_all ? _refine.ls_wR_factor_obs ? _refine.ls_wR_factor_R_free ? _refine.ls_wR_factor_R_work ? _refine.occupancy_max ? _refine.occupancy_min ? _refine.solvent_model_details ? _refine.solvent_model_param_bsol ? _refine.solvent_model_param_ksol ? _refine.ls_R_factor_gt ? _refine.ls_goodness_of_fit_gt ? _refine.ls_goodness_of_fit_ref ? _refine.ls_shift_over_su_max ? _refine.ls_shift_over_su_max_lt ? _refine.ls_shift_over_su_mean ? _refine.ls_shift_over_su_mean_lt ? _refine.pdbx_ls_sigma_I ? _refine.pdbx_ls_sigma_F 0.0 _refine.pdbx_ls_sigma_Fsqd ? _refine.pdbx_data_cutoff_high_absF ? _refine.pdbx_data_cutoff_high_rms_absF ? _refine.pdbx_data_cutoff_low_absF ? _refine.pdbx_isotropic_thermal_model ? _refine.pdbx_ls_cross_valid_method THROUGHOUT _refine.pdbx_method_to_determine_struct 'MOLECULAR REPLACEMENT' _refine.pdbx_starting_model 1j06 _refine.pdbx_stereochemistry_target_values ? _refine.pdbx_R_Free_selection_details RANDOM _refine.pdbx_stereochem_target_val_spec_case ? _refine.pdbx_overall_ESU_R ? _refine.pdbx_overall_ESU_R_Free ? _refine.pdbx_solvent_vdw_probe_radii ? _refine.pdbx_solvent_ion_probe_radii ? _refine.pdbx_solvent_shrinkage_radii ? _refine.pdbx_real_space_R ? _refine.pdbx_density_correlation ? _refine.pdbx_pd_number_of_powder_patterns ? _refine.pdbx_pd_number_of_points ? _refine.pdbx_pd_meas_number_of_points ? _refine.pdbx_pd_proc_ls_prof_R_factor ? _refine.pdbx_pd_proc_ls_prof_wR_factor ? _refine.pdbx_pd_Marquardt_correlation_coeff ? _refine.pdbx_pd_Fsqrd_R_factor ? _refine.pdbx_pd_ls_matrix_band_width ? _refine.pdbx_overall_phase_error ? _refine.pdbx_overall_SU_R_free_Cruickshank_DPI 0.117 _refine.pdbx_overall_SU_R_free_Blow_DPI 0.118 _refine.pdbx_overall_SU_R_Blow_DPI 0.132 _refine.pdbx_TLS_residual_ADP_flag ? _refine.pdbx_diffrn_id 1 _refine.overall_SU_B ? _refine.overall_SU_ML ? _refine.overall_SU_R_Cruickshank_DPI 0.129 _refine.overall_SU_R_free ? _refine.overall_FOM_free_R_set ? _refine.overall_FOM_work_R_set ? _refine.pdbx_average_fsc_overall ? _refine.pdbx_average_fsc_work ? _refine.pdbx_average_fsc_free ? # _refine_analyze.entry_id 5EIE _refine_analyze.pdbx_refine_id 'X-RAY DIFFRACTION' _refine_analyze.Luzzati_coordinate_error_free ? _refine_analyze.Luzzati_coordinate_error_obs 0.250 _refine_analyze.Luzzati_d_res_low_free ? _refine_analyze.Luzzati_d_res_low_obs ? _refine_analyze.Luzzati_sigma_a_free ? _refine_analyze.Luzzati_sigma_a_free_details ? _refine_analyze.Luzzati_sigma_a_obs ? _refine_analyze.Luzzati_sigma_a_obs_details ? _refine_analyze.number_disordered_residues ? _refine_analyze.occupancy_sum_hydrogen ? _refine_analyze.occupancy_sum_non_hydrogen ? _refine_analyze.RG_d_res_high ? _refine_analyze.RG_d_res_low ? _refine_analyze.RG_free ? _refine_analyze.RG_work ? _refine_analyze.RG_free_work_ratio ? _refine_analyze.pdbx_Luzzati_d_res_high_obs ? # _refine_hist.pdbx_refine_id 'X-RAY DIFFRACTION' _refine_hist.cycle_id 1 _refine_hist.pdbx_number_atoms_protein 8485 _refine_hist.pdbx_number_atoms_nucleic_acid 0 _refine_hist.pdbx_number_atoms_ligand 177 _refine_hist.number_atoms_solvent 669 _refine_hist.number_atoms_total 9331 _refine_hist.d_res_high 2.10 _refine_hist.d_res_low 46. # loop_ _refine_ls_restr.pdbx_refine_id _refine_ls_restr.criterion _refine_ls_restr.dev_ideal _refine_ls_restr.dev_ideal_target _refine_ls_restr.number _refine_ls_restr.rejects _refine_ls_restr.type _refine_ls_restr.weight _refine_ls_restr.pdbx_restraint_function 'X-RAY DIFFRACTION' ? 0.010 ? 8939 ? t_bond_d 2.00 HARMONIC 'X-RAY DIFFRACTION' ? 1.05 ? 12234 ? t_angle_deg 2.00 HARMONIC 'X-RAY DIFFRACTION' ? ? ? 2997 ? t_dihedral_angle_d 2.00 SINUSOIDAL 'X-RAY DIFFRACTION' ? ? ? ? ? t_incorr_chiral_ct ? ? 'X-RAY DIFFRACTION' ? ? ? ? ? t_pseud_angle ? ? 'X-RAY DIFFRACTION' ? ? ? 197 ? t_trig_c_planes 2.00 HARMONIC 'X-RAY DIFFRACTION' ? ? ? 1339 ? t_gen_planes 5.00 HARMONIC 'X-RAY DIFFRACTION' ? ? ? 8939 ? t_it 20.00 HARMONIC 'X-RAY DIFFRACTION' ? ? ? ? ? t_nbd ? ? 'X-RAY DIFFRACTION' ? 3.71 ? ? ? t_omega_torsion ? ? 'X-RAY DIFFRACTION' ? 16.52 ? ? ? t_other_torsion ? ? 'X-RAY DIFFRACTION' ? ? ? ? ? t_improper_torsion ? ? 'X-RAY DIFFRACTION' ? ? ? 1111 ? t_chiral_improper_torsion 5.00 SEMIHARMONIC 'X-RAY DIFFRACTION' ? ? ? ? ? t_sum_occupancies ? ? 'X-RAY DIFFRACTION' ? ? ? ? ? t_utility_distance ? ? 'X-RAY DIFFRACTION' ? ? ? ? ? t_utility_angle ? ? 'X-RAY DIFFRACTION' ? ? ? ? ? t_utility_torsion ? ? 'X-RAY DIFFRACTION' ? ? ? 10904 ? t_ideal_dist_contact 4.00 SEMIHARMONIC # _refine_ls_shell.pdbx_refine_id 'X-RAY DIFFRACTION' _refine_ls_shell.d_res_high 2.10 _refine_ls_shell.d_res_low 2.15 _refine_ls_shell.number_reflns_all 6624 _refine_ls_shell.number_reflns_obs ? _refine_ls_shell.number_reflns_R_free 131 _refine_ls_shell.number_reflns_R_work 6493 _refine_ls_shell.percent_reflns_obs 75.86 _refine_ls_shell.percent_reflns_R_free 1.98 _refine_ls_shell.R_factor_all 0.2114 _refine_ls_shell.R_factor_obs ? _refine_ls_shell.R_factor_R_free 0.2067 _refine_ls_shell.R_factor_R_free_error ? _refine_ls_shell.R_factor_R_work 0.2115 _refine_ls_shell.redundancy_reflns_all ? _refine_ls_shell.redundancy_reflns_obs ? _refine_ls_shell.wR_factor_all ? _refine_ls_shell.wR_factor_obs ? _refine_ls_shell.wR_factor_R_free ? _refine_ls_shell.wR_factor_R_work ? _refine_ls_shell.pdbx_total_number_of_bins_used 20 _refine_ls_shell.pdbx_phase_error ? _refine_ls_shell.pdbx_fsc_work ? _refine_ls_shell.pdbx_fsc_free ? # _struct.entry_id 5EIE _struct.title 'mAChE-TZ2 complex' _struct.pdbx_descriptor 'Acetylcholinesterase (E.C.3.1.1.7)' _struct.pdbx_model_details ? _struct.pdbx_formula_weight ? _struct.pdbx_formula_weight_method ? _struct.pdbx_model_type_details ? _struct.pdbx_CASP_flag ? # _struct_keywords.entry_id 5EIE _struct_keywords.text 'acetylcholinesterase, inhibitor, click chemistry, tacrine, hydrolase' _struct_keywords.pdbx_keywords HYDROLASE # 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 2 ? F N N 2 ? G N N 4 ? H N N 5 ? I N N 6 ? J N N 2 ? K N N 2 ? L N N 7 ? M N N 4 ? N N N 5 ? O N N 8 ? P N N 6 ? Q N N 9 ? R N N 9 ? # loop_ _struct_conf.conf_type_id _struct_conf.id _struct_conf.pdbx_PDB_helix_id _struct_conf.beg_label_comp_id _struct_conf.beg_label_asym_id _struct_conf.beg_label_seq_id _struct_conf.pdbx_beg_PDB_ins_code _struct_conf.end_label_comp_id _struct_conf.end_label_asym_id _struct_conf.end_label_seq_id _struct_conf.pdbx_end_PDB_ins_code _struct_conf.beg_auth_comp_id _struct_conf.beg_auth_asym_id _struct_conf.beg_auth_seq_id _struct_conf.end_auth_comp_id _struct_conf.end_auth_asym_id _struct_conf.end_auth_seq_id _struct_conf.pdbx_PDB_helix_class _struct_conf.details _struct_conf.pdbx_PDB_helix_length HELX_P HELX_P1 AA1 ASP A 5 ? GLN A 7 ? ASP A 5 GLN A 7 5 ? 3 HELX_P HELX_P2 AA2 VAL A 42 ? ARG A 46 ? VAL A 42 ARG A 46 5 ? 5 HELX_P HELX_P3 AA3 PHE A 80 ? MET A 85 ? PHE A 80 MET A 85 1 ? 6 HELX_P HELX_P4 AA4 LEU A 130 ? ASP A 134 ? LEU A 130 ASP A 134 5 ? 5 HELX_P HELX_P5 AA5 GLY A 135 ? GLY A 143 ? GLY A 135 GLY A 143 1 ? 9 HELX_P HELX_P6 AA6 VAL A 153 ? LEU A 159 ? VAL A 153 LEU A 159 1 ? 7 HELX_P HELX_P7 AA7 ASN A 170 ? ILE A 187 ? ASN A 170 ILE A 187 1 ? 18 HELX_P HELX_P8 AA8 ALA A 188 ? PHE A 190 ? ALA A 188 PHE A 190 5 ? 3 HELX_P HELX_P9 AA9 SER A 203 ? SER A 215 ? SER A 203 SER A 215 1 ? 13 HELX_P HELX_P10 AB1 SER A 215 ? SER A 220 ? SER A 215 SER A 220 1 ? 6 HELX_P HELX_P11 AB2 SER A 240 ? VAL A 255 ? SER A 240 VAL A 255 1 ? 16 HELX_P HELX_P12 AB3 ASP A 266 ? THR A 275 ? ASP A 266 THR A 275 1 ? 10 HELX_P HELX_P13 AB4 PRO A 277 ? GLU A 285 ? PRO A 277 GLU A 285 1 ? 9 HELX_P HELX_P14 AB5 TRP A 286 ? LEU A 289 ? TRP A 286 LEU A 289 5 ? 4 HELX_P HELX_P15 AB6 THR A 311 ? GLY A 319 ? THR A 311 GLY A 319 1 ? 9 HELX_P HELX_P16 AB7 GLY A 335 ? VAL A 343 ? GLY A 335 VAL A 343 1 ? 9 HELX_P HELX_P17 AB8 SER A 355 ? VAL A 367 ? SER A 355 VAL A 367 1 ? 13 HELX_P HELX_P18 AB9 SER A 371 ? THR A 383 ? SER A 371 THR A 383 1 ? 13 HELX_P HELX_P19 AC1 ASP A 390 ? VAL A 407 ? ASP A 390 VAL A 407 1 ? 18 HELX_P HELX_P20 AC2 VAL A 407 ? GLN A 421 ? VAL A 407 GLN A 421 1 ? 15 HELX_P HELX_P21 AC3 PRO A 440 ? GLY A 444 ? PRO A 440 GLY A 444 5 ? 5 HELX_P HELX_P22 AC4 GLU A 450 ? PHE A 455 ? GLU A 450 PHE A 455 1 ? 6 HELX_P HELX_P23 AC5 GLY A 456 ? ASN A 464 ? GLY A 456 ASN A 464 5 ? 9 HELX_P HELX_P24 AC6 THR A 466 ? GLY A 487 ? THR A 466 GLY A 487 1 ? 22 HELX_P HELX_P25 AC7 ARG A 525 ? ARG A 534 ? ARG A 525 ARG A 534 1 ? 10 HELX_P HELX_P26 AC8 ARG A 534 ? THR A 543 ? ARG A 534 THR A 543 1 ? 10 HELX_P HELX_P27 AC9 ASP B 5 ? GLN B 7 ? ASP B 5 GLN B 7 5 ? 3 HELX_P HELX_P28 AD1 VAL B 42 ? ARG B 46 ? VAL B 42 ARG B 46 5 ? 5 HELX_P HELX_P29 AD2 PHE B 80 ? MET B 85 ? PHE B 80 MET B 85 1 ? 6 HELX_P HELX_P30 AD3 LEU B 130 ? ASP B 134 ? LEU B 130 ASP B 134 5 ? 5 HELX_P HELX_P31 AD4 GLY B 135 ? GLY B 143 ? GLY B 135 GLY B 143 1 ? 9 HELX_P HELX_P32 AD5 VAL B 153 ? LEU B 159 ? VAL B 153 LEU B 159 1 ? 7 HELX_P HELX_P33 AD6 ASN B 170 ? ILE B 187 ? ASN B 170 ILE B 187 1 ? 18 HELX_P HELX_P34 AD7 ALA B 188 ? PHE B 190 ? ALA B 188 PHE B 190 5 ? 3 HELX_P HELX_P35 AD8 SER B 203 ? SER B 215 ? SER B 203 SER B 215 1 ? 13 HELX_P HELX_P36 AD9 SER B 215 ? SER B 220 ? SER B 215 SER B 220 1 ? 6 HELX_P HELX_P37 AE1 ALA B 241 ? VAL B 255 ? ALA B 241 VAL B 255 1 ? 15 HELX_P HELX_P38 AE2 ASN B 265 ? THR B 275 ? ASN B 265 THR B 275 1 ? 11 HELX_P HELX_P39 AE3 PRO B 277 ? TRP B 286 ? PRO B 277 TRP B 286 1 ? 10 HELX_P HELX_P40 AE4 THR B 311 ? GLY B 319 ? THR B 311 GLY B 319 1 ? 9 HELX_P HELX_P41 AE5 GLY B 335 ? VAL B 343 ? GLY B 335 VAL B 343 1 ? 9 HELX_P HELX_P42 AE6 SER B 355 ? VAL B 367 ? SER B 355 VAL B 367 1 ? 13 HELX_P HELX_P43 AE7 SER B 371 ? THR B 383 ? SER B 371 THR B 383 1 ? 13 HELX_P HELX_P44 AE8 ASP B 390 ? VAL B 407 ? ASP B 390 VAL B 407 1 ? 18 HELX_P HELX_P45 AE9 VAL B 407 ? GLN B 421 ? VAL B 407 GLN B 421 1 ? 15 HELX_P HELX_P46 AF1 PRO B 440 ? GLY B 444 ? PRO B 440 GLY B 444 5 ? 5 HELX_P HELX_P47 AF2 GLU B 450 ? PHE B 455 ? GLU B 450 PHE B 455 1 ? 6 HELX_P HELX_P48 AF3 GLY B 456 ? ASN B 464 ? GLY B 456 ASN B 464 5 ? 9 HELX_P HELX_P49 AF4 THR B 466 ? GLY B 487 ? THR B 466 GLY B 487 1 ? 22 HELX_P HELX_P50 AF5 ARG B 525 ? ARG B 534 ? ARG B 525 ARG B 534 1 ? 10 HELX_P HELX_P51 AF6 ARG B 534 ? ALA B 542 ? ARG B 534 ALA B 542 1 ? 9 # _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 69 SG ? ? ? 1_555 A CYS 96 SG ? ? A CYS 69 A CYS 96 1_555 ? ? ? ? ? ? ? 2.056 ? disulf2 disulf ? ? A CYS 257 SG ? ? ? 1_555 A CYS 272 SG ? ? A CYS 257 A CYS 272 1_555 ? ? ? ? ? ? ? 2.105 ? disulf3 disulf ? ? A CYS 409 SG ? ? ? 1_555 A CYS 529 SG ? ? A CYS 409 A CYS 529 1_555 ? ? ? ? ? ? ? 2.055 ? disulf4 disulf ? ? B CYS 69 SG ? ? ? 1_555 B CYS 96 SG ? ? B CYS 69 B CYS 96 1_555 ? ? ? ? ? ? ? 2.050 ? disulf5 disulf ? ? B CYS 257 SG ? ? ? 1_555 B CYS 272 SG ? ? B CYS 257 B CYS 272 1_555 ? ? ? ? ? ? ? 2.074 ? disulf6 disulf ? ? B CYS 409 SG ? ? ? 1_555 B CYS 529 SG ? ? B CYS 409 B CYS 529 1_555 ? ? ? ? ? ? ? 2.056 ? covale1 covale one ? A ASN 350 ND2 ? ? ? 1_555 C NAG . C1 ? ? A ASN 350 A NAG 601 1_555 ? ? ? ? ? ? ? 1.437 ? covale2 covale one ? A ASN 464 ND2 ? ? ? 1_555 F NAG . C1 ? ? A ASN 464 A NAG 604 1_555 ? ? ? ? ? ? ? 1.434 ? covale3 covale one ? B ASN 350 ND2 ? ? ? 1_555 J NAG . C1 ? ? B ASN 350 B NAG 601 1_555 ? ? ? ? ? ? ? 1.434 ? covale4 covale one ? B ASN 464 ND2 ? ? ? 1_555 K NAG . C1 ? ? B ASN 464 B NAG 602 1_555 ? ? ? ? ? ? ? 1.435 ? covale5 covale both ? C NAG . O4 ? ? ? 1_555 E NAG . C1 ? ? A NAG 601 A NAG 603 1_555 ? ? ? ? ? ? ? 1.427 ? covale6 covale one ? C NAG . O6 ? ? ? 1_555 D FUC . C1 ? ? A NAG 601 A FUC 602 1_555 ? ? ? ? ? ? ? 1.403 ? # loop_ _struct_conn_type.id _struct_conn_type.criteria _struct_conn_type.reference disulf ? ? covale ? ? # loop_ _struct_mon_prot_cis.pdbx_id _struct_mon_prot_cis.label_comp_id _struct_mon_prot_cis.label_seq_id _struct_mon_prot_cis.label_asym_id _struct_mon_prot_cis.label_alt_id _struct_mon_prot_cis.pdbx_PDB_ins_code _struct_mon_prot_cis.auth_comp_id _struct_mon_prot_cis.auth_seq_id _struct_mon_prot_cis.auth_asym_id _struct_mon_prot_cis.pdbx_label_comp_id_2 _struct_mon_prot_cis.pdbx_label_seq_id_2 _struct_mon_prot_cis.pdbx_label_asym_id_2 _struct_mon_prot_cis.pdbx_PDB_ins_code_2 _struct_mon_prot_cis.pdbx_auth_comp_id_2 _struct_mon_prot_cis.pdbx_auth_seq_id_2 _struct_mon_prot_cis.pdbx_auth_asym_id_2 _struct_mon_prot_cis.pdbx_PDB_model_num _struct_mon_prot_cis.pdbx_omega_angle 1 TYR 105 A . ? TYR 105 A PRO 106 A ? PRO 106 A 1 -2.21 2 TYR 105 B . ? TYR 105 B PRO 106 B ? PRO 106 B 1 -0.02 3 CYS 257 B . ? CYS 257 B PRO 258 B ? PRO 258 B 1 1.47 # loop_ _struct_sheet.id _struct_sheet.type _struct_sheet.number_strands _struct_sheet.details AA1 ? 3 ? AA2 ? 11 ? AA3 ? 2 ? AA4 ? 3 ? AA5 ? 11 ? AA6 ? 2 ? AA7 ? 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 AA1 1 2 ? anti-parallel AA1 2 3 ? parallel AA2 1 2 ? anti-parallel AA2 2 3 ? anti-parallel AA2 3 4 ? anti-parallel AA2 4 5 ? parallel AA2 5 6 ? parallel AA2 6 7 ? parallel AA2 7 8 ? parallel AA2 8 9 ? parallel AA2 9 10 ? parallel AA2 10 11 ? anti-parallel AA3 1 2 ? parallel AA4 1 2 ? anti-parallel AA4 2 3 ? parallel AA5 1 2 ? anti-parallel AA5 2 3 ? anti-parallel AA5 3 4 ? anti-parallel AA5 4 5 ? parallel AA5 5 6 ? parallel AA5 6 7 ? parallel AA5 7 8 ? parallel AA5 8 9 ? parallel AA5 9 10 ? parallel AA5 10 11 ? anti-parallel AA6 1 2 ? parallel AA7 1 2 ? parallel # loop_ _struct_sheet_range.sheet_id _struct_sheet_range.id _struct_sheet_range.beg_label_comp_id _struct_sheet_range.beg_label_asym_id _struct_sheet_range.beg_label_seq_id _struct_sheet_range.pdbx_beg_PDB_ins_code _struct_sheet_range.end_label_comp_id _struct_sheet_range.end_label_asym_id _struct_sheet_range.end_label_seq_id _struct_sheet_range.pdbx_end_PDB_ins_code _struct_sheet_range.beg_auth_comp_id _struct_sheet_range.beg_auth_asym_id _struct_sheet_range.beg_auth_seq_id _struct_sheet_range.end_auth_comp_id _struct_sheet_range.end_auth_asym_id _struct_sheet_range.end_auth_seq_id AA1 1 LEU A 9 ? VAL A 12 ? LEU A 9 VAL A 12 AA1 2 GLY A 15 ? ARG A 18 ? GLY A 15 ARG A 18 AA1 3 VAL A 59 ? ASP A 61 ? VAL A 59 ASP A 61 AA2 1 ILE A 20 ? ALA A 24 ? ILE A 20 ALA A 24 AA2 2 GLY A 27 ? PRO A 36 ? GLY A 27 PRO A 36 AA2 3 TYR A 98 ? PRO A 104 ? TYR A 98 PRO A 104 AA2 4 VAL A 145 ? MET A 149 ? VAL A 145 MET A 149 AA2 5 THR A 112 ? ILE A 118 ? THR A 112 ILE A 118 AA2 6 GLY A 192 ? GLU A 202 ? GLY A 192 GLU A 202 AA2 7 ARG A 224 ? GLN A 228 ? ARG A 224 GLN A 228 AA2 8 GLN A 325 ? VAL A 331 ? GLN A 325 VAL A 331 AA2 9 ARG A 424 ? PHE A 430 ? ARG A 424 PHE A 430 AA2 10 GLN A 509 ? LEU A 513 ? GLN A 509 LEU A 513 AA2 11 GLU A 519 ? ARG A 522 ? GLU A 519 ARG A 522 AA3 1 VAL A 68 ? CYS A 69 ? VAL A 68 CYS A 69 AA3 2 LEU A 92 ? SER A 93 ? LEU A 92 SER A 93 AA4 1 LEU B 9 ? VAL B 12 ? LEU B 9 VAL B 12 AA4 2 GLY B 15 ? ARG B 18 ? GLY B 15 ARG B 18 AA4 3 VAL B 59 ? ASP B 61 ? VAL B 59 ASP B 61 AA5 1 ILE B 20 ? ALA B 24 ? ILE B 20 ALA B 24 AA5 2 GLY B 27 ? PRO B 36 ? GLY B 27 PRO B 36 AA5 3 TYR B 98 ? PRO B 104 ? TYR B 98 PRO B 104 AA5 4 VAL B 145 ? MET B 149 ? VAL B 145 MET B 149 AA5 5 THR B 112 ? ILE B 118 ? THR B 112 ILE B 118 AA5 6 GLY B 192 ? GLU B 202 ? GLY B 192 GLU B 202 AA5 7 ARG B 224 ? GLN B 228 ? ARG B 224 GLN B 228 AA5 8 GLN B 325 ? VAL B 331 ? GLN B 325 VAL B 331 AA5 9 ARG B 424 ? PHE B 430 ? ARG B 424 PHE B 430 AA5 10 GLN B 509 ? LEU B 513 ? GLN B 509 LEU B 513 AA5 11 GLU B 519 ? ARG B 522 ? GLU B 519 ARG B 522 AA6 1 VAL B 68 ? CYS B 69 ? VAL B 68 CYS B 69 AA6 2 LEU B 92 ? SER B 93 ? LEU B 92 SER B 93 AA7 1 VAL B 239 ? SER B 240 ? VAL B 239 SER B 240 AA7 2 VAL B 302 ? VAL B 303 ? VAL B 302 VAL B 303 # loop_ _pdbx_struct_sheet_hbond.sheet_id _pdbx_struct_sheet_hbond.range_id_1 _pdbx_struct_sheet_hbond.range_id_2 _pdbx_struct_sheet_hbond.range_1_label_atom_id _pdbx_struct_sheet_hbond.range_1_label_comp_id _pdbx_struct_sheet_hbond.range_1_label_asym_id _pdbx_struct_sheet_hbond.range_1_label_seq_id _pdbx_struct_sheet_hbond.range_1_PDB_ins_code _pdbx_struct_sheet_hbond.range_1_auth_atom_id _pdbx_struct_sheet_hbond.range_1_auth_comp_id _pdbx_struct_sheet_hbond.range_1_auth_asym_id _pdbx_struct_sheet_hbond.range_1_auth_seq_id _pdbx_struct_sheet_hbond.range_2_label_atom_id _pdbx_struct_sheet_hbond.range_2_label_comp_id _pdbx_struct_sheet_hbond.range_2_label_asym_id _pdbx_struct_sheet_hbond.range_2_label_seq_id _pdbx_struct_sheet_hbond.range_2_PDB_ins_code _pdbx_struct_sheet_hbond.range_2_auth_atom_id _pdbx_struct_sheet_hbond.range_2_auth_comp_id _pdbx_struct_sheet_hbond.range_2_auth_asym_id _pdbx_struct_sheet_hbond.range_2_auth_seq_id AA1 1 2 N VAL A 12 ? N VAL A 12 O GLY A 15 ? O GLY A 15 AA1 2 3 N GLN A 16 ? N GLN A 16 O LEU A 60 ? O LEU A 60 AA2 1 2 N ILE A 20 ? N ILE A 20 O ALA A 31 ? O ALA A 31 AA2 2 3 N PHE A 32 ? N PHE A 32 O VAL A 101 ? O VAL A 101 AA2 3 4 N ASN A 100 ? N ASN A 100 O SER A 148 ? O SER A 148 AA2 4 5 O VAL A 147 ? O VAL A 147 N TRP A 117 ? N TRP A 117 AA2 5 6 N THR A 112 ? N THR A 112 O ASP A 193 ? O ASP A 193 AA2 6 7 N GLY A 201 ? N GLY A 201 O GLN A 228 ? O GLN A 228 AA2 7 8 N LEU A 227 ? N LEU A 227 O LEU A 327 ? O LEU A 327 AA2 8 9 N VAL A 326 ? N VAL A 326 O ARG A 424 ? O ARG A 424 AA2 9 10 N ILE A 429 ? N ILE A 429 O LEU A 513 ? O LEU A 513 AA2 10 11 N TYR A 510 ? N TYR A 510 O ARG A 521 ? O ARG A 521 AA3 1 2 N VAL A 68 ? N VAL A 68 O SER A 93 ? O SER A 93 AA4 1 2 N VAL B 12 ? N VAL B 12 O GLY B 15 ? O GLY B 15 AA4 2 3 N GLN B 16 ? N GLN B 16 O LEU B 60 ? O LEU B 60 AA5 1 2 N LEU B 22 ? N LEU B 22 O VAL B 29 ? O VAL B 29 AA5 2 3 N ILE B 35 ? N ILE B 35 O LEU B 99 ? O LEU B 99 AA5 3 4 N ASN B 100 ? N ASN B 100 O SER B 148 ? O SER B 148 AA5 4 5 O VAL B 147 ? O VAL B 147 N TRP B 117 ? N TRP B 117 AA5 5 6 N THR B 112 ? N THR B 112 O ASP B 193 ? O ASP B 193 AA5 6 7 N GLY B 201 ? N GLY B 201 O GLN B 228 ? O GLN B 228 AA5 7 8 N LEU B 227 ? N LEU B 227 O LEU B 327 ? O LEU B 327 AA5 8 9 N VAL B 326 ? N VAL B 326 O ARG B 424 ? O ARG B 424 AA5 9 10 N ILE B 429 ? N ILE B 429 O LEU B 513 ? O LEU B 513 AA5 10 11 N TYR B 510 ? N TYR B 510 O ARG B 521 ? O ARG B 521 AA6 1 2 N VAL B 68 ? N VAL B 68 O SER B 93 ? O SER B 93 AA7 1 2 N VAL B 239 ? N VAL B 239 O VAL B 303 ? O VAL B 303 # 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 A TZ2 605 ? 10 'binding site for residue TZ2 A 605' AC2 Software A ACT 606 ? 7 'binding site for residue ACT A 606' AC3 Software A PG4 607 ? 6 'binding site for residue PG4 A 607' AC4 Software B CL 603 ? 3 'binding site for residue CL B 603' AC5 Software B TZ2 604 ? 11 'binding site for residue TZ2 B 604' AC6 Software B ACT 605 ? 7 'binding site for residue ACT B 605' AC7 Software B 7PG 606 ? 12 'binding site for residue 7PG B 606' AC8 Software B PG4 607 ? 4 'binding site for residue PG4 B 607' AC9 Software A ASN 350 ? 8 'binding site for Poly-Saccharide residues NAG A 601 through NAG A 603 bound to ASN A 350' AD1 Software A NAG 604 ? 1 'binding site for Mono-Saccharide NAG A 604 bound to ASN A 464' AD2 Software B NAG 601 ? 2 'binding site for Mono-Saccharide NAG B 601 bound to ASN B 350' AD3 Software B NAG 602 ? 2 'binding site for Mono-Saccharide NAG B 602 bound to ASN B 464' # 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 10 TRP A 86 ? TRP A 86 . ? 1_555 ? 2 AC1 10 TYR A 124 ? TYR A 124 . ? 1_555 ? 3 AC1 10 GLU A 202 ? GLU A 202 . ? 1_555 ? 4 AC1 10 PHE A 297 ? PHE A 297 . ? 1_555 ? 5 AC1 10 TYR A 337 ? TYR A 337 . ? 1_555 ? 6 AC1 10 PHE A 338 ? PHE A 338 . ? 1_555 ? 7 AC1 10 TRP A 439 ? TRP A 439 . ? 1_555 ? 8 AC1 10 HIS A 447 ? HIS A 447 . ? 1_555 ? 9 AC1 10 TYR A 449 ? TYR A 449 . ? 1_555 ? 10 AC1 10 ACT H . ? ACT A 606 . ? 1_555 ? 11 AC2 7 GLY A 121 ? GLY A 121 . ? 1_555 ? 12 AC2 7 GLY A 122 ? GLY A 122 . ? 1_555 ? 13 AC2 7 SER A 203 ? SER A 203 . ? 1_555 ? 14 AC2 7 ALA A 204 ? ALA A 204 . ? 1_555 ? 15 AC2 7 PHE A 297 ? PHE A 297 . ? 1_555 ? 16 AC2 7 HIS A 447 ? HIS A 447 . ? 1_555 ? 17 AC2 7 TZ2 G . ? TZ2 A 605 . ? 1_555 ? 18 AC3 6 HIS A 381 ? HIS A 381 . ? 1_555 ? 19 AC3 6 ASP A 384 ? ASP A 384 . ? 1_555 ? 20 AC3 6 HIS A 393 ? HIS A 393 . ? 1_555 ? 21 AC3 6 ARG A 525 ? ARG A 525 . ? 1_555 ? 22 AC3 6 THR A 528 ? THR A 528 . ? 1_555 ? 23 AC3 6 HOH Q . ? HOH A 710 . ? 1_555 ? 24 AC4 3 ARG B 296 ? ARG B 296 . ? 1_555 ? 25 AC4 3 PRO B 368 ? PRO B 368 . ? 1_555 ? 26 AC4 3 GLN B 369 ? GLN B 369 . ? 1_555 ? 27 AC5 11 TRP B 86 ? TRP B 86 . ? 1_555 ? 28 AC5 11 GLY B 121 ? GLY B 121 . ? 1_555 ? 29 AC5 11 TYR B 124 ? TYR B 124 . ? 1_555 ? 30 AC5 11 GLU B 202 ? GLU B 202 . ? 1_555 ? 31 AC5 11 PHE B 297 ? PHE B 297 . ? 1_555 ? 32 AC5 11 TYR B 337 ? TYR B 337 . ? 1_555 ? 33 AC5 11 PHE B 338 ? PHE B 338 . ? 1_555 ? 34 AC5 11 TRP B 439 ? TRP B 439 . ? 1_555 ? 35 AC5 11 HIS B 447 ? HIS B 447 . ? 1_555 ? 36 AC5 11 TYR B 449 ? TYR B 449 . ? 1_555 ? 37 AC5 11 ACT N . ? ACT B 605 . ? 1_555 ? 38 AC6 7 GLY B 121 ? GLY B 121 . ? 1_555 ? 39 AC6 7 GLY B 122 ? GLY B 122 . ? 1_555 ? 40 AC6 7 SER B 203 ? SER B 203 . ? 1_555 ? 41 AC6 7 ALA B 204 ? ALA B 204 . ? 1_555 ? 42 AC6 7 PHE B 297 ? PHE B 297 . ? 1_555 ? 43 AC6 7 HIS B 447 ? HIS B 447 . ? 1_555 ? 44 AC6 7 TZ2 M . ? TZ2 B 604 . ? 1_555 ? 45 AC7 12 LEU A 380 ? LEU A 380 . ? 1_555 ? 46 AC7 12 HIS A 381 ? HIS A 381 . ? 1_555 ? 47 AC7 12 GLN A 527 ? GLN A 527 . ? 1_555 ? 48 AC7 12 PHE A 535 ? PHE A 535 . ? 1_555 ? 49 AC7 12 ALA B 377 ? ALA B 377 . ? 1_555 ? 50 AC7 12 LEU B 380 ? LEU B 380 . ? 1_555 ? 51 AC7 12 HIS B 381 ? HIS B 381 . ? 1_555 ? 52 AC7 12 GLN B 527 ? GLN B 527 . ? 1_555 ? 53 AC7 12 PHE B 531 ? PHE B 531 . ? 1_555 ? 54 AC7 12 PHE B 535 ? PHE B 535 . ? 1_555 ? 55 AC7 12 PG4 P . ? PG4 B 607 . ? 1_555 ? 56 AC7 12 HOH R . ? HOH B 755 . ? 1_555 ? 57 AC8 4 GLN A 527 ? GLN A 527 . ? 1_555 ? 58 AC8 4 HIS B 381 ? HIS B 381 . ? 1_555 ? 59 AC8 4 TYR B 382 ? TYR B 382 . ? 1_555 ? 60 AC8 4 7PG O . ? 7PG B 606 . ? 1_555 ? 61 AC9 8 PRO A 344 ? PRO A 344 . ? 1_555 ? 62 AC9 8 GLY A 345 ? GLY A 345 . ? 1_555 ? 63 AC9 8 PHE A 346 ? PHE A 346 . ? 1_555 ? 64 AC9 8 SER A 347 ? SER A 347 . ? 1_555 ? 65 AC9 8 ASN A 350 ? ASN A 350 . ? 1_555 ? 66 AC9 8 GLN A 358 ? GLN A 358 . ? 1_555 ? 67 AC9 8 HOH Q . ? HOH A 712 . ? 1_555 ? 68 AC9 8 HOH Q . ? HOH A 780 . ? 1_555 ? 69 AD1 1 ASN A 464 ? ASN A 464 . ? 1_555 ? 70 AD2 2 SER B 347 ? SER B 347 . ? 1_555 ? 71 AD2 2 ASN B 350 ? ASN B 350 . ? 1_555 ? 72 AD3 2 SER B 462 ? SER B 462 . ? 1_555 ? 73 AD3 2 ASN B 464 ? ASN B 464 . ? 1_555 ? # _atom_sites.entry_id 5EIE _atom_sites.fract_transf_matrix[1][1] 0.012553 _atom_sites.fract_transf_matrix[1][2] 0.000000 _atom_sites.fract_transf_matrix[1][3] 0.000000 _atom_sites.fract_transf_matrix[2][1] 0.000000 _atom_sites.fract_transf_matrix[2][2] 0.008840 _atom_sites.fract_transf_matrix[2][3] 0.000000 _atom_sites.fract_transf_matrix[3][1] 0.000000 _atom_sites.fract_transf_matrix[3][2] 0.000000 _atom_sites.fract_transf_matrix[3][3] 0.004417 _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 S # loop_ _atom_site.group_PDB _atom_site.id _atom_site.type_symbol _atom_site.label_atom_id _atom_site.label_alt_id _atom_site.label_comp_id _atom_site.label_asym_id _atom_site.label_entity_id _atom_site.label_seq_id _atom_site.pdbx_PDB_ins_code _atom_site.Cartn_x _atom_site.Cartn_y _atom_site.Cartn_z _atom_site.occupancy _atom_site.B_iso_or_equiv _atom_site.pdbx_formal_charge _atom_site.auth_seq_id _atom_site.auth_comp_id _atom_site.auth_asym_id _atom_site.auth_atom_id _atom_site.pdbx_PDB_model_num ATOM 1 N N . GLU A 1 1 ? 32.573 14.792 55.750 1.00 66.70 ? 1 GLU A N 1 ATOM 2 C CA . GLU A 1 1 ? 31.118 14.850 55.677 1.00 65.97 ? 1 GLU A CA 1 ATOM 3 C C . GLU A 1 1 ? 30.482 15.021 57.045 1.00 71.07 ? 1 GLU A C 1 ATOM 4 O O . GLU A 1 1 ? 31.163 14.900 58.073 1.00 73.13 ? 1 GLU A O 1 ATOM 5 C CB . GLU A 1 1 ? 30.540 13.628 54.926 1.00 66.34 ? 1 GLU A CB 1 ATOM 6 C CG . GLU A 1 1 ? 30.597 12.298 55.663 1.00 70.40 ? 1 GLU A CG 1 ATOM 7 C CD . GLU A 1 1 ? 30.255 11.102 54.794 1.00 75.86 ? 1 GLU A CD 1 ATOM 8 O OE1 . GLU A 1 1 ? 29.147 10.535 54.955 1.00 52.36 ? 1 GLU A OE1 1 ATOM 9 O OE2 . GLU A 1 1 ? 31.111 10.720 53.962 1.00 58.90 ? 1 GLU A OE2 1 ATOM 10 N N . GLY A 1 2 ? 29.179 15.293 57.043 1.00 65.47 ? 2 GLY A N 1 ATOM 11 C CA . GLY A 1 2 ? 28.406 15.484 58.264 1.00 64.20 ? 2 GLY A CA 1 ATOM 12 C C . GLY A 1 2 ? 27.191 16.356 58.071 1.00 63.48 ? 2 GLY A C 1 ATOM 13 O O . GLY A 1 2 ? 26.098 15.998 58.512 1.00 60.27 ? 2 GLY A O 1 ATOM 14 N N . ARG A 1 3 ? 27.380 17.499 57.387 1.00 60.75 ? 3 ARG A N 1 ATOM 15 C CA . ARG A 1 3 ? 26.335 18.500 57.141 1.00 61.03 ? 3 ARG A CA 1 ATOM 16 C C . ARG A 1 3 ? 25.865 18.551 55.714 1.00 64.37 ? 3 ARG A C 1 ATOM 17 O O . ARG A 1 3 ? 24.881 19.233 55.428 1.00 66.03 ? 3 ARG A O 1 ATOM 18 C CB . ARG A 1 3 ? 26.788 19.897 57.607 1.00 62.53 ? 3 ARG A CB 1 ATOM 19 C CG . ARG A 1 3 ? 27.006 20.016 59.112 1.00 75.32 ? 3 ARG A CG 1 ATOM 20 C CD . ARG A 1 3 ? 25.703 19.999 59.900 1.00 85.85 ? 3 ARG A CD 1 ATOM 21 N NE . ARG A 1 3 ? 25.954 20.331 61.301 1.00 96.70 ? 3 ARG A NE 1 ATOM 22 C CZ . ARG A 1 3 ? 25.185 19.960 62.318 1.00 108.24 ? 3 ARG A CZ 1 ATOM 23 N NH1 . ARG A 1 3 ? 24.107 19.213 62.108 1.00 86.96 ? 3 ARG A NH1 1 ATOM 24 N NH2 . ARG A 1 3 ? 25.501 20.311 63.556 1.00 99.54 ? 3 ARG A NH2 1 ATOM 25 N N . GLU A 1 4 ? 26.541 17.826 54.816 1.00 58.86 ? 4 GLU A N 1 ATOM 26 C CA . GLU A 1 4 ? 26.181 17.800 53.397 1.00 57.41 ? 4 GLU A CA 1 ATOM 27 C C . GLU A 1 4 ? 24.968 16.924 53.135 1.00 56.59 ? 4 GLU A C 1 ATOM 28 O O . GLU A 1 4 ? 24.618 16.086 53.963 1.00 54.77 ? 4 GLU A O 1 ATOM 29 C CB . GLU A 1 4 ? 27.360 17.334 52.535 1.00 58.25 ? 4 GLU A CB 1 ATOM 30 C CG . GLU A 1 4 ? 28.481 18.356 52.442 1.00 77.29 ? 4 GLU A CG 1 ATOM 31 C CD . GLU A 1 4 ? 29.769 17.870 51.805 1.00 112.14 ? 4 GLU A CD 1 ATOM 32 O OE1 . GLU A 1 4 ? 30.669 18.713 51.581 1.00 118.69 ? 4 GLU A OE1 1 ATOM 33 O OE2 . GLU A 1 4 ? 29.883 16.655 51.524 1.00 110.28 ? 4 GLU A OE2 1 ATOM 34 N N . ASP A 1 5 ? 24.331 17.142 51.977 1.00 50.12 ? 5 ASP A N 1 ATOM 35 C CA . ASP A 1 5 ? 23.189 16.396 51.472 1.00 48.98 ? 5 ASP A CA 1 ATOM 36 C C . ASP A 1 5 ? 23.676 14.942 51.317 1.00 53.70 ? 5 ASP A C 1 ATOM 37 O O . ASP A 1 5 ? 24.571 14.683 50.498 1.00 50.08 ? 5 ASP A O 1 ATOM 38 C CB . ASP A 1 5 ? 22.737 16.998 50.118 1.00 48.19 ? 5 ASP A CB 1 ATOM 39 C CG . ASP A 1 5 ? 21.500 16.378 49.501 1.00 52.30 ? 5 ASP A CG 1 ATOM 40 O OD1 . ASP A 1 5 ? 21.181 15.225 49.842 1.00 54.47 ? 5 ASP A OD1 1 ATOM 41 O OD2 . ASP A 1 5 ? 20.860 17.043 48.654 1.00 52.84 ? 5 ASP A OD2 1 ATOM 42 N N . PRO A 1 6 ? 23.160 14.003 52.157 1.00 53.52 ? 6 PRO A N 1 ATOM 43 C CA . PRO A 1 6 ? 23.652 12.606 52.097 1.00 53.39 ? 6 PRO A CA 1 ATOM 44 C C . PRO A 1 6 ? 23.348 11.884 50.792 1.00 57.05 ? 6 PRO A C 1 ATOM 45 O O . PRO A 1 6 ? 23.958 10.866 50.479 1.00 56.63 ? 6 PRO A O 1 ATOM 46 C CB . PRO A 1 6 ? 22.970 11.943 53.301 1.00 56.64 ? 6 PRO A CB 1 ATOM 47 C CG . PRO A 1 6 ? 21.732 12.764 53.531 1.00 61.18 ? 6 PRO A CG 1 ATOM 48 C CD . PRO A 1 6 ? 22.117 14.167 53.200 1.00 55.85 ? 6 PRO A CD 1 ATOM 49 N N . GLN A 1 7 ? 22.421 12.438 50.017 1.00 53.72 ? 7 GLN A N 1 ATOM 50 C CA . GLN A 1 7 ? 22.010 11.894 48.737 1.00 53.24 ? 7 GLN A CA 1 ATOM 51 C C . GLN A 1 7 ? 23.016 12.220 47.611 1.00 52.33 ? 7 GLN A C 1 ATOM 52 O O . GLN A 1 7 ? 22.908 11.656 46.529 1.00 51.24 ? 7 GLN A O 1 ATOM 53 C CB . GLN A 1 7 ? 20.593 12.410 48.410 1.00 55.80 ? 7 GLN A CB 1 ATOM 54 C CG . GLN A 1 7 ? 19.898 11.783 47.195 1.00 70.66 ? 7 GLN A CG 1 ATOM 55 C CD . GLN A 1 7 ? 19.791 10.274 47.230 1.00 73.13 ? 7 GLN A CD 1 ATOM 56 O OE1 . GLN A 1 7 ? 19.315 9.656 48.194 1.00 62.86 ? 7 GLN A OE1 1 ATOM 57 N NE2 . GLN A 1 7 ? 20.183 9.661 46.143 1.00 50.66 ? 7 GLN A NE2 1 ATOM 58 N N . LEU A 1 8 ? 24.038 13.054 47.880 1.00 46.55 ? 8 LEU A N 1 ATOM 59 C CA . LEU A 1 8 ? 25.001 13.446 46.833 1.00 43.82 ? 8 LEU A CA 1 ATOM 60 C C . LEU A 1 8 ? 26.410 12.871 46.990 1.00 46.02 ? 8 LEU A C 1 ATOM 61 O O . LEU A 1 8 ? 27.304 13.264 46.234 1.00 43.77 ? 8 LEU A O 1 ATOM 62 C CB . LEU A 1 8 ? 25.064 14.995 46.735 1.00 43.33 ? 8 LEU A CB 1 ATOM 63 C CG . LEU A 1 8 ? 23.752 15.736 46.423 1.00 45.03 ? 8 LEU A CG 1 ATOM 64 C CD1 . LEU A 1 8 ? 23.921 17.222 46.649 1.00 44.87 ? 8 LEU A CD1 1 ATOM 65 C CD2 . LEU A 1 8 ? 23.254 15.434 44.987 1.00 42.02 ? 8 LEU A CD2 1 ATOM 66 N N . LEU A 1 9 ? 26.598 11.924 47.943 1.00 44.17 ? 9 LEU A N 1 ATOM 67 C CA . LEU A 1 9 ? 27.884 11.298 48.246 1.00 44.52 ? 9 LEU A CA 1 ATOM 68 C C . LEU A 1 9 ? 27.902 9.866 47.740 1.00 45.89 ? 9 LEU A C 1 ATOM 69 O O . LEU A 1 9 ? 27.069 9.048 48.138 1.00 44.45 ? 9 LEU A O 1 ATOM 70 C CB . LEU A 1 9 ? 28.209 11.391 49.750 1.00 46.62 ? 9 LEU A CB 1 ATOM 71 C CG . LEU A 1 9 ? 28.030 12.801 50.394 1.00 52.73 ? 9 LEU A CG 1 ATOM 72 C CD1 . LEU A 1 9 ? 28.230 12.749 51.931 1.00 53.96 ? 9 LEU A CD1 1 ATOM 73 C CD2 . LEU A 1 9 ? 28.943 13.851 49.741 1.00 53.29 ? 9 LEU A CD2 1 ATOM 74 N N . VAL A 1 10 ? 28.773 9.607 46.756 1.00 42.56 ? 10 VAL A N 1 ATOM 75 C CA . VAL A 1 10 ? 28.873 8.322 46.061 1.00 42.21 ? 10 VAL A CA 1 ATOM 76 C C . VAL A 1 10 ? 30.345 7.886 45.960 1.00 45.61 ? 10 VAL A C 1 ATOM 77 O O . VAL A 1 10 ? 31.230 8.724 45.759 1.00 46.98 ? 10 VAL A O 1 ATOM 78 C CB . VAL A 1 10 ? 28.217 8.505 44.650 1.00 44.66 ? 10 VAL A CB 1 ATOM 79 C CG1 . VAL A 1 10 ? 28.487 7.346 43.714 1.00 44.45 ? 10 VAL A CG1 1 ATOM 80 C CG2 . VAL A 1 10 ? 26.720 8.711 44.779 1.00 45.07 ? 10 VAL A CG2 1 ATOM 81 N N . ARG A 1 11 ? 30.585 6.585 46.051 1.00 39.31 ? 11 ARG A N 1 ATOM 82 C CA . ARG A 1 11 ? 31.918 6.050 45.847 1.00 38.20 ? 11 ARG A CA 1 ATOM 83 C C . ARG A 1 11 ? 31.965 5.318 44.518 1.00 40.85 ? 11 ARG A C 1 ATOM 84 O O . ARG A 1 11 ? 31.052 4.567 44.164 1.00 39.44 ? 11 ARG A O 1 ATOM 85 C CB . ARG A 1 11 ? 32.363 5.135 46.994 1.00 36.85 ? 11 ARG A CB 1 ATOM 86 C CG . ARG A 1 11 ? 33.722 4.457 46.748 1.00 41.13 ? 11 ARG A CG 1 ATOM 87 C CD . ARG A 1 11 ? 34.184 3.612 47.940 1.00 36.91 ? 11 ARG A CD 1 ATOM 88 N NE . ARG A 1 11 ? 34.562 4.457 49.068 1.00 40.10 ? 11 ARG A NE 1 ATOM 89 C CZ . ARG A 1 11 ? 35.762 4.990 49.253 1.00 51.11 ? 11 ARG A CZ 1 ATOM 90 N NH1 . ARG A 1 11 ? 35.996 5.758 50.306 1.00 44.32 ? 11 ARG A NH1 1 ATOM 91 N NH2 . ARG A 1 11 ? 36.732 4.768 48.385 1.00 42.20 ? 11 ARG A NH2 1 ATOM 92 N N . VAL A 1 12 ? 33.063 5.522 43.801 1.00 37.17 ? 12 VAL A N 1 ATOM 93 C CA . VAL A 1 12 ? 33.359 4.817 42.560 1.00 36.15 ? 12 VAL A CA 1 ATOM 94 C C . VAL A 1 12 ? 34.701 4.103 42.715 1.00 39.95 ? 12 VAL A C 1 ATOM 95 O O . VAL A 1 12 ? 35.336 4.258 43.749 1.00 39.58 ? 12 VAL A O 1 ATOM 96 C CB . VAL A 1 12 ? 33.273 5.712 41.305 1.00 38.25 ? 12 VAL A CB 1 ATOM 97 C CG1 . VAL A 1 12 ? 31.838 6.168 41.089 1.00 37.60 ? 12 VAL A CG1 1 ATOM 98 C CG2 . VAL A 1 12 ? 34.253 6.893 41.366 1.00 37.39 ? 12 VAL A CG2 1 ATOM 99 N N . ARG A 1 13 ? 35.141 3.339 41.705 1.00 38.96 ? 13 ARG A N 1 ATOM 100 C CA . ARG A 1 13 ? 36.405 2.589 41.745 1.00 39.95 ? 13 ARG A CA 1 ATOM 101 C C . ARG A 1 13 ? 37.620 3.444 42.169 1.00 43.78 ? 13 ARG A C 1 ATOM 102 O O . ARG A 1 13 ? 38.470 2.969 42.917 1.00 44.37 ? 13 ARG A O 1 ATOM 103 C CB . ARG A 1 13 ? 36.659 1.871 40.384 1.00 36.48 ? 13 ARG A CB 1 ATOM 104 C CG . ARG A 1 13 ? 37.909 0.925 40.349 1.00 38.43 ? 13 ARG A CG 1 ATOM 105 C CD . ARG A 1 13 ? 37.940 -0.120 41.469 1.00 39.97 ? 13 ARG A CD 1 ATOM 106 N NE . ARG A 1 13 ? 39.201 -0.877 41.523 1.00 42.67 ? 13 ARG A NE 1 ATOM 107 C CZ . ARG A 1 13 ? 40.294 -0.505 42.190 1.00 52.48 ? 13 ARG A CZ 1 ATOM 108 N NH1 . ARG A 1 13 ? 40.312 0.634 42.871 1.00 44.23 ? 13 ARG A NH1 1 ATOM 109 N NH2 . ARG A 1 13 ? 41.372 -1.272 42.184 1.00 46.77 ? 13 ARG A NH2 1 ATOM 110 N N . GLY A 1 14 ? 37.677 4.680 41.677 1.00 39.30 ? 14 GLY A N 1 ATOM 111 C CA . GLY A 1 14 ? 38.753 5.611 41.993 1.00 39.39 ? 14 GLY A CA 1 ATOM 112 C C . GLY A 1 14 ? 38.641 6.345 43.323 1.00 44.19 ? 14 GLY A C 1 ATOM 113 O O . GLY A 1 14 ? 39.615 6.950 43.786 1.00 44.05 ? 14 GLY A O 1 ATOM 114 N N . GLY A 1 15 ? 37.465 6.314 43.939 1.00 39.83 ? 15 GLY A N 1 ATOM 115 C CA . GLY A 1 15 ? 37.290 6.994 45.214 1.00 40.50 ? 15 GLY A CA 1 ATOM 116 C C . GLY A 1 15 ? 35.952 7.670 45.389 1.00 43.40 ? 15 GLY A C 1 ATOM 117 O O . GLY A 1 15 ? 35.002 7.387 44.657 1.00 40.03 ? 15 GLY A O 1 ATOM 118 N N . GLN A 1 16 ? 35.869 8.569 46.376 1.00 43.39 ? 16 GLN A N 1 ATOM 119 C CA . GLN A 1 16 ? 34.635 9.277 46.711 1.00 42.61 ? 16 GLN A CA 1 ATOM 120 C C . GLN A 1 16 ? 34.400 10.488 45.840 1.00 43.94 ? 16 GLN A C 1 ATOM 121 O O . GLN A 1 16 ? 35.345 11.183 45.463 1.00 43.35 ? 16 GLN A O 1 ATOM 122 C CB . GLN A 1 16 ? 34.610 9.667 48.199 1.00 44.32 ? 16 GLN A CB 1 ATOM 123 C CG . GLN A 1 16 ? 34.305 8.512 49.124 1.00 51.71 ? 16 GLN A CG 1 ATOM 124 C CD . GLN A 1 16 ? 34.305 8.928 50.579 1.00 66.39 ? 16 GLN A CD 1 ATOM 125 O OE1 . GLN A 1 16 ? 35.293 9.454 51.106 1.00 61.30 ? 16 GLN A OE1 1 ATOM 126 N NE2 . GLN A 1 16 ? 33.202 8.669 51.275 1.00 49.39 ? 16 GLN A NE2 1 ATOM 127 N N . LEU A 1 17 ? 33.120 10.748 45.547 1.00 39.11 ? 17 LEU A N 1 ATOM 128 C CA . LEU A 1 17 ? 32.653 11.875 44.740 1.00 39.07 ? 17 LEU A CA 1 ATOM 129 C C . LEU A 1 17 ? 31.551 12.616 45.488 1.00 43.17 ? 17 LEU A C 1 ATOM 130 O O . LEU A 1 17 ? 30.800 12.010 46.260 1.00 41.63 ? 17 LEU A O 1 ATOM 131 C CB . LEU A 1 17 ? 32.023 11.370 43.420 1.00 38.69 ? 17 LEU A CB 1 ATOM 132 C CG . LEU A 1 17 ? 32.869 10.548 42.461 1.00 43.07 ? 17 LEU A CG 1 ATOM 133 C CD1 . LEU A 1 17 ? 31.981 9.854 41.475 1.00 43.16 ? 17 LEU A CD1 1 ATOM 134 C CD2 . LEU A 1 17 ? 33.881 11.420 41.712 1.00 41.51 ? 17 LEU A CD2 1 ATOM 135 N N . ARG A 1 18 ? 31.416 13.909 45.216 1.00 41.10 ? 18 ARG A N 1 ATOM 136 C CA . ARG A 1 18 ? 30.331 14.746 45.730 1.00 40.65 ? 18 ARG A CA 1 ATOM 137 C C . ARG A 1 18 ? 29.735 15.419 44.510 1.00 41.41 ? 18 ARG A C 1 ATOM 138 O O . ARG A 1 18 ? 30.440 16.110 43.784 1.00 40.13 ? 18 ARG A O 1 ATOM 139 C CB . ARG A 1 18 ? 30.828 15.790 46.737 1.00 39.38 ? 18 ARG A CB 1 ATOM 140 C CG . ARG A 1 18 ? 29.745 16.759 47.281 1.00 43.33 ? 18 ARG A CG 1 ATOM 141 C CD . ARG A 1 18 ? 30.314 17.749 48.319 1.00 57.75 ? 18 ARG A CD 1 ATOM 142 N NE . ARG A 1 18 ? 31.666 18.215 47.978 1.00 66.73 ? 18 ARG A NE 1 ATOM 143 C CZ . ARG A 1 18 ? 32.769 17.962 48.683 1.00 81.71 ? 18 ARG A CZ 1 ATOM 144 N NH1 . ARG A 1 18 ? 32.696 17.303 49.840 1.00 60.19 ? 18 ARG A NH1 1 ATOM 145 N NH2 . ARG A 1 18 ? 33.950 18.388 48.253 1.00 74.69 ? 18 ARG A NH2 1 ATOM 146 N N . GLY A 1 19 ? 28.470 15.131 44.265 1.00 36.98 ? 19 GLY A N 1 ATOM 147 C CA . GLY A 1 19 ? 27.710 15.680 43.162 1.00 36.01 ? 19 GLY A CA 1 ATOM 148 C C . GLY A 1 19 ? 26.919 16.893 43.595 1.00 41.70 ? 19 GLY A C 1 ATOM 149 O O . GLY A 1 19 ? 27.126 17.431 44.693 1.00 40.32 ? 19 GLY A O 1 ATOM 150 N N . ILE A 1 20 ? 26.012 17.332 42.718 1.00 39.03 ? 20 ILE A N 1 ATOM 151 C CA . ILE A 1 20 ? 25.198 18.515 42.956 1.00 39.62 ? 20 ILE A CA 1 ATOM 152 C C . ILE A 1 20 ? 23.711 18.227 42.675 1.00 42.45 ? 20 ILE A C 1 ATOM 153 O O . ILE A 1 20 ? 23.381 17.465 41.765 1.00 40.62 ? 20 ILE A O 1 ATOM 154 C CB . ILE A 1 20 ? 25.773 19.706 42.126 1.00 42.47 ? 20 ILE A CB 1 ATOM 155 C CG1 . ILE A 1 20 ? 25.103 21.062 42.512 1.00 44.94 ? 20 ILE A CG1 1 ATOM 156 C CG2 . ILE A 1 20 ? 25.726 19.436 40.606 1.00 40.21 ? 20 ILE A CG2 1 ATOM 157 C CD1 . ILE A 1 20 ? 25.709 22.354 41.859 1.00 49.04 ? 20 ILE A CD1 1 ATOM 158 N N . ARG A 1 21 ? 22.828 18.848 43.459 1.00 39.92 ? 21 ARG A N 1 ATOM 159 C CA . ARG A 1 21 ? 21.383 18.728 43.275 1.00 40.46 ? 21 ARG A CA 1 ATOM 160 C C . ARG A 1 21 ? 20.983 19.833 42.290 1.00 44.48 ? 21 ARG A C 1 ATOM 161 O O . ARG A 1 21 ? 21.127 21.018 42.574 1.00 44.82 ? 21 ARG A O 1 ATOM 162 C CB . ARG A 1 21 ? 20.679 18.890 44.631 1.00 42.43 ? 21 ARG A CB 1 ATOM 163 C CG . ARG A 1 21 ? 19.160 18.741 44.631 1.00 48.34 ? 21 ARG A CG 1 ATOM 164 C CD . ARG A 1 21 ? 18.651 19.321 45.937 1.00 44.27 ? 21 ARG A CD 1 ATOM 165 N NE . ARG A 1 21 ? 17.199 19.243 46.090 1.00 67.97 ? 21 ARG A NE 1 ATOM 166 C CZ . ARG A 1 21 ? 16.335 20.180 45.704 1.00 90.57 ? 21 ARG A CZ 1 ATOM 167 N NH1 . ARG A 1 21 ? 16.761 21.277 45.083 1.00 84.24 ? 21 ARG A NH1 1 ATOM 168 N NH2 . ARG A 1 21 ? 15.035 20.016 45.914 1.00 73.62 ? 21 ARG A NH2 1 ATOM 169 N N . LEU A 1 22 ? 20.543 19.444 41.118 1.00 41.57 ? 22 LEU A N 1 ATOM 170 C CA . LEU A 1 22 ? 20.139 20.416 40.100 1.00 42.37 ? 22 LEU A CA 1 ATOM 171 C C . LEU A 1 22 ? 18.637 20.495 40.013 1.00 48.77 ? 22 LEU A C 1 ATOM 172 O O . LEU A 1 22 ? 17.953 19.529 40.352 1.00 49.01 ? 22 LEU A O 1 ATOM 173 C CB . LEU A 1 22 ? 20.722 20.049 38.726 1.00 41.22 ? 22 LEU A CB 1 ATOM 174 C CG . LEU A 1 22 ? 22.248 20.069 38.581 1.00 45.41 ? 22 LEU A CG 1 ATOM 175 C CD1 . LEU A 1 22 ? 22.633 19.719 37.168 1.00 45.56 ? 22 LEU A CD1 1 ATOM 176 C CD2 . LEU A 1 22 ? 22.838 21.420 38.949 1.00 45.01 ? 22 LEU A CD2 1 ATOM 177 N N . LYS A 1 23 ? 18.119 21.644 39.574 1.00 46.33 ? 23 LYS A N 1 ATOM 178 C CA . LYS A 1 23 ? 16.688 21.829 39.385 1.00 47.40 ? 23 LYS A CA 1 ATOM 179 C C . LYS A 1 23 ? 16.335 21.572 37.931 1.00 48.68 ? 23 LYS A C 1 ATOM 180 O O . LYS A 1 23 ? 16.936 22.146 37.029 1.00 46.49 ? 23 LYS A O 1 ATOM 181 C CB . LYS A 1 23 ? 16.232 23.257 39.767 1.00 52.51 ? 23 LYS A CB 1 ATOM 182 C CG . LYS A 1 23 ? 16.413 23.618 41.237 1.00 76.35 ? 23 LYS A CG 1 ATOM 183 C CD . LYS A 1 23 ? 16.179 25.109 41.448 1.00 92.04 ? 23 LYS A CD 1 ATOM 184 C CE . LYS A 1 23 ? 16.283 25.516 42.898 1.00 104.34 ? 23 LYS A CE 1 ATOM 185 N NZ . LYS A 1 23 ? 15.776 26.898 43.111 1.00 114.41 ? 23 LYS A NZ 1 ATOM 186 N N . ALA A 1 24 ? 15.388 20.678 37.708 1.00 45.97 ? 24 ALA A N 1 ATOM 187 C CA . ALA A 1 24 ? 14.816 20.418 36.392 1.00 45.10 ? 24 ALA A CA 1 ATOM 188 C C . ALA A 1 24 ? 13.371 20.943 36.554 1.00 49.82 ? 24 ALA A C 1 ATOM 189 O O . ALA A 1 24 ? 12.953 21.142 37.699 1.00 50.81 ? 24 ALA A O 1 ATOM 190 C CB . ALA A 1 24 ? 14.828 18.931 36.082 1.00 45.35 ? 24 ALA A CB 1 ATOM 191 N N . PRO A 1 25 ? 12.604 21.245 35.479 1.00 45.82 ? 25 PRO A N 1 ATOM 192 C CA . PRO A 1 25 ? 11.255 21.830 35.684 1.00 46.12 ? 25 PRO A CA 1 ATOM 193 C C . PRO A 1 25 ? 10.307 21.050 36.595 1.00 51.37 ? 25 PRO A C 1 ATOM 194 O O . PRO A 1 25 ? 9.586 21.681 37.367 1.00 53.02 ? 25 PRO A O 1 ATOM 195 C CB . PRO A 1 25 ? 10.697 21.954 34.260 1.00 47.10 ? 25 PRO A CB 1 ATOM 196 C CG . PRO A 1 25 ? 11.902 22.028 33.400 1.00 50.03 ? 25 PRO A CG 1 ATOM 197 C CD . PRO A 1 25 ? 12.942 21.164 34.041 1.00 45.26 ? 25 PRO A CD 1 ATOM 198 N N . GLY A 1 26 ? 10.328 19.715 36.523 1.00 47.06 ? 26 GLY A N 1 ATOM 199 C CA . GLY A 1 26 ? 9.449 18.872 37.328 1.00 47.83 ? 26 GLY A CA 1 ATOM 200 C C . GLY A 1 26 ? 9.960 18.482 38.706 1.00 53.00 ? 26 GLY A C 1 ATOM 201 O O . GLY A 1 26 ? 9.229 17.851 39.473 1.00 54.94 ? 26 GLY A O 1 ATOM 202 N N . GLY A 1 27 ? 11.208 18.826 39.021 1.00 47.17 ? 27 GLY A N 1 ATOM 203 C CA . GLY A 1 27 ? 11.795 18.487 40.311 1.00 45.34 ? 27 GLY A CA 1 ATOM 204 C C . GLY A 1 27 ? 13.303 18.363 40.282 1.00 46.04 ? 27 GLY A C 1 ATOM 205 O O . GLY A 1 27 ? 13.930 18.620 39.252 1.00 42.45 ? 27 GLY A O 1 ATOM 206 N N . PRO A 1 28 ? 13.922 17.949 41.414 1.00 42.54 ? 28 PRO A N 1 ATOM 207 C CA . PRO A 1 28 ? 15.388 17.843 41.430 1.00 40.75 ? 28 PRO A CA 1 ATOM 208 C C . PRO A 1 28 ? 15.956 16.622 40.723 1.00 43.42 ? 28 PRO A C 1 ATOM 209 O O . PRO A 1 28 ? 15.265 15.624 40.530 1.00 43.36 ? 28 PRO A O 1 ATOM 210 C CB . PRO A 1 28 ? 15.726 17.834 42.924 1.00 42.72 ? 28 PRO A CB 1 ATOM 211 C CG . PRO A 1 28 ? 14.513 17.219 43.580 1.00 47.92 ? 28 PRO A CG 1 ATOM 212 C CD . PRO A 1 28 ? 13.328 17.625 42.736 1.00 44.35 ? 28 PRO A CD 1 ATOM 213 N N . VAL A 1 29 ? 17.238 16.722 40.334 1.00 39.76 ? 29 VAL A N 1 ATOM 214 C CA . VAL A 1 29 ? 18.055 15.654 39.749 1.00 39.06 ? 29 VAL A CA 1 ATOM 215 C C . VAL A 1 29 ? 19.445 15.686 40.408 1.00 42.26 ? 29 VAL A C 1 ATOM 216 O O . VAL A 1 29 ? 19.849 16.728 40.925 1.00 41.18 ? 29 VAL A O 1 ATOM 217 C CB . VAL A 1 29 ? 18.149 15.642 38.191 1.00 42.87 ? 29 VAL A CB 1 ATOM 218 C CG1 . VAL A 1 29 ? 16.782 15.569 37.539 1.00 42.54 ? 29 VAL A CG1 1 ATOM 219 C CG2 . VAL A 1 29 ? 18.947 16.822 37.645 1.00 42.71 ? 29 VAL A CG2 1 ATOM 220 N N . SER A 1 30 ? 20.166 14.547 40.395 1.00 37.79 ? 30 SER A N 1 ATOM 221 C CA . SER A 1 30 ? 21.530 14.464 40.902 1.00 37.15 ? 30 SER A CA 1 ATOM 222 C C . SER A 1 30 ? 22.456 14.527 39.702 1.00 39.39 ? 30 SER A C 1 ATOM 223 O O . SER A 1 30 ? 22.197 13.882 38.687 1.00 37.19 ? 30 SER A O 1 ATOM 224 C CB . SER A 1 30 ? 21.766 13.148 41.644 1.00 39.67 ? 30 SER A CB 1 ATOM 225 O OG . SER A 1 30 ? 20.891 13.005 42.746 1.00 52.41 ? 30 SER A OG 1 ATOM 226 N N . ALA A 1 31 ? 23.501 15.329 39.791 1.00 36.67 ? 31 ALA A N 1 ATOM 227 C CA . ALA A 1 31 ? 24.477 15.437 38.718 1.00 36.01 ? 31 ALA A CA 1 ATOM 228 C C . ALA A 1 31 ? 25.877 15.293 39.305 1.00 40.14 ? 31 ALA A C 1 ATOM 229 O O . ALA A 1 31 ? 26.182 15.869 40.359 1.00 39.01 ? 31 ALA A O 1 ATOM 230 C CB . ALA A 1 31 ? 24.329 16.759 38.000 1.00 36.28 ? 31 ALA A CB 1 ATOM 231 N N . PHE A 1 32 ? 26.682 14.437 38.678 1.00 34.89 ? 32 PHE A N 1 ATOM 232 C CA . PHE A 1 32 ? 28.060 14.172 39.063 1.00 35.40 ? 32 PHE A CA 1 ATOM 233 C C . PHE A 1 32 ? 28.847 14.537 37.822 1.00 37.47 ? 32 PHE A C 1 ATOM 234 O O . PHE A 1 32 ? 28.885 13.781 36.853 1.00 36.10 ? 32 PHE A O 1 ATOM 235 C CB . PHE A 1 32 ? 28.232 12.701 39.482 1.00 37.47 ? 32 PHE A CB 1 ATOM 236 C CG . PHE A 1 32 ? 27.389 12.336 40.684 1.00 39.16 ? 32 PHE A CG 1 ATOM 237 C CD1 . PHE A 1 32 ? 26.069 11.930 40.531 1.00 41.64 ? 32 PHE A CD1 1 ATOM 238 C CD2 . PHE A 1 32 ? 27.920 12.392 41.968 1.00 40.97 ? 32 PHE A CD2 1 ATOM 239 C CE1 . PHE A 1 32 ? 25.283 11.622 41.648 1.00 42.42 ? 32 PHE A CE1 1 ATOM 240 C CE2 . PHE A 1 32 ? 27.140 12.070 43.085 1.00 44.73 ? 32 PHE A CE2 1 ATOM 241 C CZ . PHE A 1 32 ? 25.821 11.709 42.917 1.00 42.89 ? 32 PHE A CZ 1 ATOM 242 N N . LEU A 1 33 ? 29.348 15.771 37.809 1.00 34.80 ? 33 LEU A N 1 ATOM 243 C CA . LEU A 1 33 ? 30.008 16.383 36.652 1.00 33.99 ? 33 LEU A CA 1 ATOM 244 C C . LEU A 1 33 ? 31.506 16.468 36.802 1.00 37.94 ? 33 LEU A C 1 ATOM 245 O O . LEU A 1 33 ? 31.996 16.748 37.883 1.00 38.42 ? 33 LEU A O 1 ATOM 246 C CB . LEU A 1 33 ? 29.430 17.794 36.405 1.00 33.41 ? 33 LEU A CB 1 ATOM 247 C CG . LEU A 1 33 ? 27.911 17.942 36.409 1.00 36.63 ? 33 LEU A CG 1 ATOM 248 C CD1 . LEU A 1 33 ? 27.521 19.401 36.275 1.00 36.19 ? 33 LEU A CD1 1 ATOM 249 C CD2 . LEU A 1 33 ? 27.260 17.106 35.275 1.00 35.94 ? 33 LEU A CD2 1 ATOM 250 N N . GLY A 1 34 ? 32.219 16.227 35.718 1.00 34.20 ? 34 GLY A N 1 ATOM 251 C CA . GLY A 1 34 ? 33.675 16.290 35.722 1.00 34.57 ? 34 GLY A CA 1 ATOM 252 C C . GLY A 1 34 ? 34.356 15.155 36.447 1.00 37.87 ? 34 GLY A C 1 ATOM 253 O O . GLY A 1 34 ? 35.372 15.375 37.105 1.00 37.00 ? 34 GLY A O 1 ATOM 254 N N . ILE A 1 35 ? 33.827 13.921 36.311 1.00 34.56 ? 35 ILE A N 1 ATOM 255 C CA . ILE A 1 35 ? 34.463 12.747 36.920 1.00 34.20 ? 35 ILE A CA 1 ATOM 256 C C . ILE A 1 35 ? 35.650 12.331 36.038 1.00 38.52 ? 35 ILE A C 1 ATOM 257 O O . ILE A 1 35 ? 35.432 11.987 34.877 1.00 36.95 ? 35 ILE A O 1 ATOM 258 C CB . ILE A 1 35 ? 33.489 11.547 37.106 1.00 35.76 ? 35 ILE A CB 1 ATOM 259 C CG1 . ILE A 1 35 ? 32.224 11.938 37.920 1.00 34.47 ? 35 ILE A CG1 1 ATOM 260 C CG2 . ILE A 1 35 ? 34.254 10.331 37.716 1.00 35.28 ? 35 ILE A CG2 1 ATOM 261 C CD1 . ILE A 1 35 ? 31.065 10.897 37.877 1.00 33.49 ? 35 ILE A CD1 1 ATOM 262 N N . PRO A 1 36 ? 36.897 12.301 36.556 1.00 37.29 ? 36 PRO A N 1 ATOM 263 C CA . PRO A 1 36 ? 38.021 11.832 35.711 1.00 36.95 ? 36 PRO A CA 1 ATOM 264 C C . PRO A 1 36 ? 37.919 10.337 35.412 1.00 40.79 ? 36 PRO A C 1 ATOM 265 O O . PRO A 1 36 ? 37.696 9.566 36.325 1.00 39.88 ? 36 PRO A O 1 ATOM 266 C CB . PRO A 1 36 ? 39.266 12.149 36.561 1.00 38.42 ? 36 PRO A CB 1 ATOM 267 C CG . PRO A 1 36 ? 38.766 12.169 37.966 1.00 42.32 ? 36 PRO A CG 1 ATOM 268 C CD . PRO A 1 36 ? 37.347 12.639 37.927 1.00 37.78 ? 36 PRO A CD 1 ATOM 269 N N . PHE A 1 37 ? 38.038 9.927 34.141 1.00 36.66 ? 37 PHE A N 1 ATOM 270 C CA . PHE A 1 37 ? 37.991 8.492 33.813 1.00 35.53 ? 37 PHE A CA 1 ATOM 271 C C . PHE A 1 37 ? 39.348 8.017 33.271 1.00 40.01 ? 37 PHE A C 1 ATOM 272 O O . PHE A 1 37 ? 39.548 6.828 33.047 1.00 39.72 ? 37 PHE A O 1 ATOM 273 C CB . PHE A 1 37 ? 36.831 8.149 32.847 1.00 36.27 ? 37 PHE A CB 1 ATOM 274 C CG . PHE A 1 37 ? 36.913 8.748 31.465 1.00 36.30 ? 37 PHE A CG 1 ATOM 275 C CD1 . PHE A 1 37 ? 37.601 8.095 30.445 1.00 38.35 ? 37 PHE A CD1 1 ATOM 276 C CD2 . PHE A 1 37 ? 36.257 9.933 31.164 1.00 37.11 ? 37 PHE A CD2 1 ATOM 277 C CE1 . PHE A 1 37 ? 37.674 8.646 29.161 1.00 37.92 ? 37 PHE A CE1 1 ATOM 278 C CE2 . PHE A 1 37 ? 36.302 10.466 29.866 1.00 38.58 ? 37 PHE A CE2 1 ATOM 279 C CZ . PHE A 1 37 ? 37.004 9.815 28.878 1.00 36.38 ? 37 PHE A CZ 1 ATOM 280 N N . ALA A 1 38 ? 40.275 8.951 33.035 1.00 36.41 ? 38 ALA A N 1 ATOM 281 C CA . ALA A 1 38 ? 41.599 8.610 32.518 1.00 35.84 ? 38 ALA A CA 1 ATOM 282 C C . ALA A 1 38 ? 42.666 9.487 33.139 1.00 41.30 ? 38 ALA A C 1 ATOM 283 O O . ALA A 1 38 ? 42.363 10.568 33.646 1.00 41.45 ? 38 ALA A O 1 ATOM 284 C CB . ALA A 1 38 ? 41.620 8.780 31.001 1.00 35.45 ? 38 ALA A CB 1 ATOM 285 N N . GLU A 1 39 ? 43.924 9.048 33.049 1.00 39.08 ? 39 GLU A N 1 ATOM 286 C CA . GLU A 1 39 ? 45.062 9.869 33.423 1.00 39.59 ? 39 GLU A CA 1 ATOM 287 C C . GLU A 1 39 ? 45.113 11.026 32.389 1.00 42.22 ? 39 GLU A C 1 ATOM 288 O O . GLU A 1 39 ? 44.894 10.764 31.205 1.00 41.07 ? 39 GLU A O 1 ATOM 289 C CB . GLU A 1 39 ? 46.368 9.052 33.317 1.00 41.77 ? 39 GLU A CB 1 ATOM 290 C CG . GLU A 1 39 ? 46.588 8.138 34.505 1.00 43.72 ? 39 GLU A CG 1 ATOM 291 C CD . GLU A 1 39 ? 46.727 8.894 35.816 1.00 53.51 ? 39 GLU A CD 1 ATOM 292 O OE1 . GLU A 1 39 ? 47.782 9.525 36.033 1.00 72.29 ? 39 GLU A OE1 1 ATOM 293 O OE2 . GLU A 1 39 ? 45.754 8.919 36.599 1.00 45.62 ? 39 GLU A OE2 1 ATOM 294 N N . PRO A 1 40 ? 45.364 12.296 32.797 1.00 38.87 ? 40 PRO A N 1 ATOM 295 C CA . PRO A 1 40 ? 45.441 13.385 31.801 1.00 37.95 ? 40 PRO A CA 1 ATOM 296 C C . PRO A 1 40 ? 46.356 13.043 30.613 1.00 43.52 ? 40 PRO A C 1 ATOM 297 O O . PRO A 1 40 ? 47.509 12.679 30.818 1.00 43.04 ? 40 PRO A O 1 ATOM 298 C CB . PRO A 1 40 ? 45.927 14.576 32.620 1.00 39.95 ? 40 PRO A CB 1 ATOM 299 C CG . PRO A 1 40 ? 45.424 14.285 34.020 1.00 44.23 ? 40 PRO A CG 1 ATOM 300 C CD . PRO A 1 40 ? 45.623 12.797 34.166 1.00 39.86 ? 40 PRO A CD 1 ATOM 301 N N . PRO A 1 41 ? 45.827 13.030 29.356 1.00 38.63 ? 41 PRO A N 1 ATOM 302 C CA . PRO A 1 41 ? 46.650 12.591 28.212 1.00 38.46 ? 41 PRO A CA 1 ATOM 303 C C . PRO A 1 41 ? 47.585 13.696 27.720 1.00 43.86 ? 41 PRO A C 1 ATOM 304 O O . PRO A 1 41 ? 47.558 14.071 26.547 1.00 42.09 ? 41 PRO A O 1 ATOM 305 C CB . PRO A 1 41 ? 45.592 12.190 27.173 1.00 39.12 ? 41 PRO A CB 1 ATOM 306 C CG . PRO A 1 41 ? 44.463 13.165 27.439 1.00 42.13 ? 41 PRO A CG 1 ATOM 307 C CD . PRO A 1 41 ? 44.448 13.366 28.940 1.00 38.12 ? 41 PRO A CD 1 ATOM 308 N N . VAL A 1 42 ? 48.416 14.208 28.635 1.00 43.01 ? 42 VAL A N 1 ATOM 309 C CA . VAL A 1 42 ? 49.310 15.349 28.405 1.00 42.64 ? 42 VAL A CA 1 ATOM 310 C C . VAL A 1 42 ? 50.782 14.956 28.307 1.00 47.22 ? 42 VAL A C 1 ATOM 311 O O . VAL A 1 42 ? 51.161 13.881 28.774 1.00 46.16 ? 42 VAL A O 1 ATOM 312 C CB . VAL A 1 42 ? 49.078 16.439 29.509 1.00 44.99 ? 42 VAL A CB 1 ATOM 313 C CG1 . VAL A 1 42 ? 47.606 16.880 29.552 1.00 42.91 ? 42 VAL A CG1 1 ATOM 314 C CG2 . VAL A 1 42 ? 49.547 15.959 30.897 1.00 44.39 ? 42 VAL A CG2 1 ATOM 315 N N . GLY A 1 43 ? 51.596 15.864 27.760 1.00 43.92 ? 43 GLY A N 1 ATOM 316 C CA . GLY A 1 43 ? 53.039 15.684 27.655 1.00 44.49 ? 43 GLY A CA 1 ATOM 317 C C . GLY A 1 43 ? 53.366 14.474 26.817 1.00 47.83 ? 43 GLY A C 1 ATOM 318 O O . GLY A 1 43 ? 52.880 14.366 25.690 1.00 47.09 ? 43 GLY A O 1 ATOM 319 N N . SER A 1 44 ? 54.110 13.506 27.401 1.00 43.78 ? 44 SER A N 1 ATOM 320 C CA . SER A 1 44 ? 54.509 12.255 26.715 1.00 43.57 ? 44 SER A CA 1 ATOM 321 C C . SER A 1 44 ? 53.312 11.369 26.327 1.00 46.24 ? 44 SER A C 1 ATOM 322 O O . SER A 1 44 ? 53.452 10.510 25.456 1.00 47.11 ? 44 SER A O 1 ATOM 323 C CB . SER A 1 44 ? 55.507 11.468 27.567 1.00 47.04 ? 44 SER A CB 1 ATOM 324 O OG . SER A 1 44 ? 54.873 10.971 28.733 1.00 52.29 ? 44 SER A OG 1 ATOM 325 N N . ARG A 1 45 ? 52.135 11.608 26.959 1.00 39.86 ? 45 ARG A N 1 ATOM 326 C CA . ARG A 1 45 ? 50.898 10.864 26.725 1.00 38.51 ? 45 ARG A CA 1 ATOM 327 C C . ARG A 1 45 ? 50.091 11.370 25.521 1.00 42.88 ? 45 ARG A C 1 ATOM 328 O O . ARG A 1 45 ? 49.139 10.700 25.112 1.00 41.92 ? 45 ARG A O 1 ATOM 329 C CB . ARG A 1 45 ? 50.036 10.840 27.986 1.00 39.17 ? 45 ARG A CB 1 ATOM 330 C CG . ARG A 1 45 ? 50.676 10.108 29.178 1.00 37.77 ? 45 ARG A CG 1 ATOM 331 C CD . ARG A 1 45 ? 49.588 9.478 30.025 1.00 67.39 ? 45 ARG A CD 1 ATOM 332 N NE . ARG A 1 45 ? 49.549 9.987 31.397 1.00 87.81 ? 45 ARG A NE 1 ATOM 333 C CZ . ARG A 1 45 ? 50.014 9.334 32.458 1.00 106.99 ? 45 ARG A CZ 1 ATOM 334 N NH1 . ARG A 1 45 ? 50.575 8.142 32.317 1.00 96.76 ? 45 ARG A NH1 1 ATOM 335 N NH2 . ARG A 1 45 ? 49.924 9.871 33.668 1.00 97.61 ? 45 ARG A NH2 1 ATOM 336 N N . ARG A 1 46 ? 50.474 12.537 24.938 1.00 39.60 ? 46 ARG A N 1 ATOM 337 C CA . ARG A 1 46 ? 49.790 13.074 23.762 1.00 38.49 ? 46 ARG A CA 1 ATOM 338 C C . ARG A 1 46 ? 49.906 12.055 22.612 1.00 40.58 ? 46 ARG A C 1 ATOM 339 O O . ARG A 1 46 ? 50.986 11.491 22.415 1.00 40.05 ? 46 ARG A O 1 ATOM 340 C CB . ARG A 1 46 ? 50.374 14.433 23.347 1.00 39.41 ? 46 ARG A CB 1 ATOM 341 C CG . ARG A 1 46 ? 49.626 15.082 22.167 1.00 40.62 ? 46 ARG A CG 1 ATOM 342 C CD . ARG A 1 46 ? 50.399 16.255 21.609 1.00 40.02 ? 46 ARG A CD 1 ATOM 343 N NE . ARG A 1 46 ? 50.182 17.484 22.372 1.00 38.46 ? 46 ARG A NE 1 ATOM 344 C CZ . ARG A 1 46 ? 50.787 18.631 22.100 1.00 48.19 ? 46 ARG A CZ 1 ATOM 345 N NH1 . ARG A 1 46 ? 51.653 18.710 21.101 1.00 39.18 ? 46 ARG A NH1 1 ATOM 346 N NH2 . ARG A 1 46 ? 50.528 19.709 22.823 1.00 34.10 ? 46 ARG A NH2 1 ATOM 347 N N . PHE A 1 47 ? 48.759 11.764 21.924 1.00 35.90 ? 47 PHE A N 1 ATOM 348 C CA . PHE A 1 47 ? 48.583 10.809 20.793 1.00 35.45 ? 47 PHE A CA 1 ATOM 349 C C . PHE A 1 47 ? 48.553 9.346 21.228 1.00 40.87 ? 47 PHE A C 1 ATOM 350 O O . PHE A 1 47 ? 48.357 8.467 20.396 1.00 41.62 ? 47 PHE A O 1 ATOM 351 C CB . PHE A 1 47 ? 49.629 10.994 19.667 1.00 37.05 ? 47 PHE A CB 1 ATOM 352 C CG . PHE A 1 47 ? 49.919 12.407 19.228 1.00 37.42 ? 47 PHE A CG 1 ATOM 353 C CD1 . PHE A 1 47 ? 48.898 13.228 18.738 1.00 37.94 ? 47 PHE A CD1 1 ATOM 354 C CD2 . PHE A 1 47 ? 51.216 12.913 19.277 1.00 38.79 ? 47 PHE A CD2 1 ATOM 355 C CE1 . PHE A 1 47 ? 49.176 14.532 18.289 1.00 38.15 ? 47 PHE A CE1 1 ATOM 356 C CE2 . PHE A 1 47 ? 51.489 14.211 18.842 1.00 41.08 ? 47 PHE A CE2 1 ATOM 357 C CZ . PHE A 1 47 ? 50.464 15.010 18.336 1.00 37.75 ? 47 PHE A CZ 1 ATOM 358 N N . MET A 1 48 ? 48.737 9.092 22.523 1.00 38.70 ? 48 MET A N 1 ATOM 359 C CA . MET A 1 48 ? 48.776 7.744 23.078 1.00 39.83 ? 48 MET A CA 1 ATOM 360 C C . MET A 1 48 ? 47.402 7.291 23.571 1.00 42.27 ? 48 MET A C 1 ATOM 361 O O . MET A 1 48 ? 46.592 8.144 23.982 1.00 38.56 ? 48 MET A O 1 ATOM 362 C CB . MET A 1 48 ? 49.784 7.686 24.254 1.00 43.72 ? 48 MET A CB 1 ATOM 363 C CG . MET A 1 48 ? 51.204 8.042 23.856 1.00 49.96 ? 48 MET A CG 1 ATOM 364 S SD . MET A 1 48 ? 52.401 7.011 24.736 1.00 57.58 ? 48 MET A SD 1 ATOM 365 C CE . MET A 1 48 ? 52.290 5.527 23.708 1.00 54.80 ? 48 MET A CE 1 ATOM 366 N N . PRO A 1 49 ? 47.137 5.951 23.587 1.00 41.32 ? 49 PRO A N 1 ATOM 367 C CA . PRO A 1 49 ? 45.866 5.456 24.150 1.00 40.71 ? 49 PRO A CA 1 ATOM 368 C C . PRO A 1 49 ? 45.663 5.951 25.592 1.00 44.06 ? 49 PRO A C 1 ATOM 369 O O . PRO A 1 49 ? 46.643 6.237 26.297 1.00 43.90 ? 49 PRO A O 1 ATOM 370 C CB . PRO A 1 49 ? 46.058 3.929 24.133 1.00 43.38 ? 49 PRO A CB 1 ATOM 371 C CG . PRO A 1 49 ? 47.013 3.693 22.987 1.00 47.40 ? 49 PRO A CG 1 ATOM 372 C CD . PRO A 1 49 ? 47.992 4.814 23.159 1.00 43.10 ? 49 PRO A CD 1 ATOM 373 N N . PRO A 1 50 ? 44.405 6.131 26.040 1.00 39.07 ? 50 PRO A N 1 ATOM 374 C CA . PRO A 1 50 ? 44.192 6.615 27.413 1.00 38.37 ? 50 PRO A CA 1 ATOM 375 C C . PRO A 1 50 ? 44.566 5.551 28.439 1.00 43.59 ? 50 PRO A C 1 ATOM 376 O O . PRO A 1 50 ? 44.423 4.357 28.178 1.00 43.36 ? 50 PRO A O 1 ATOM 377 C CB . PRO A 1 50 ? 42.689 6.892 27.454 1.00 37.79 ? 50 PRO A CB 1 ATOM 378 C CG . PRO A 1 50 ? 42.116 5.893 26.513 1.00 41.80 ? 50 PRO A CG 1 ATOM 379 C CD . PRO A 1 50 ? 43.120 5.843 25.373 1.00 38.62 ? 50 PRO A CD 1 ATOM 380 N N . GLU A 1 51 ? 45.059 5.988 29.592 1.00 43.04 ? 51 GLU A N 1 ATOM 381 C CA . GLU A 1 51 ? 45.346 5.071 30.703 1.00 43.73 ? 51 GLU A CA 1 ATOM 382 C C . GLU A 1 51 ? 44.236 5.284 31.730 1.00 43.60 ? 51 GLU A C 1 ATOM 383 O O . GLU A 1 51 ? 43.843 6.434 31.913 1.00 39.39 ? 51 GLU A O 1 ATOM 384 C CB . GLU A 1 51 ? 46.677 5.421 31.351 1.00 46.81 ? 51 GLU A CB 1 ATOM 385 C CG . GLU A 1 51 ? 47.877 4.943 30.555 1.00 67.58 ? 51 GLU A CG 1 ATOM 386 C CD . GLU A 1 51 ? 49.183 5.484 31.097 1.00 103.98 ? 51 GLU A CD 1 ATOM 387 O OE1 . GLU A 1 51 ? 49.846 6.255 30.367 1.00 109.91 ? 51 GLU A OE1 1 ATOM 388 O OE2 . GLU A 1 51 ? 49.519 5.181 32.266 1.00 103.54 ? 51 GLU A OE2 1 ATOM 389 N N . PRO A 1 52 ? 43.707 4.238 32.409 1.00 42.15 ? 52 PRO A N 1 ATOM 390 C CA . PRO A 1 52 ? 42.672 4.481 33.429 1.00 41.78 ? 52 PRO A CA 1 ATOM 391 C C . PRO A 1 52 ? 43.145 5.417 34.551 1.00 43.84 ? 52 PRO A C 1 ATOM 392 O O . PRO A 1 52 ? 44.302 5.364 34.974 1.00 44.02 ? 52 PRO A O 1 ATOM 393 C CB . PRO A 1 52 ? 42.380 3.076 33.985 1.00 44.54 ? 52 PRO A CB 1 ATOM 394 C CG . PRO A 1 52 ? 42.857 2.145 32.943 1.00 49.48 ? 52 PRO A CG 1 ATOM 395 C CD . PRO A 1 52 ? 44.058 2.803 32.342 1.00 45.11 ? 52 PRO A CD 1 ATOM 396 N N . LYS A 1 53 ? 42.243 6.288 35.011 1.00 38.70 ? 53 LYS A N 1 ATOM 397 C CA . LYS A 1 53 ? 42.532 7.223 36.086 1.00 38.97 ? 53 LYS A CA 1 ATOM 398 C C . LYS A 1 53 ? 42.939 6.468 37.354 1.00 46.27 ? 53 LYS A C 1 ATOM 399 O O . LYS A 1 53 ? 42.260 5.510 37.757 1.00 47.52 ? 53 LYS A O 1 ATOM 400 C CB . LYS A 1 53 ? 41.321 8.125 36.336 1.00 39.91 ? 53 LYS A CB 1 ATOM 401 C CG . LYS A 1 53 ? 41.428 9.060 37.552 1.00 42.87 ? 53 LYS A CG 1 ATOM 402 C CD . LYS A 1 53 ? 42.361 10.232 37.298 1.00 46.96 ? 53 LYS A CD 1 ATOM 403 C CE . LYS A 1 53 ? 42.422 11.140 38.495 1.00 49.73 ? 53 LYS A CE 1 ATOM 404 N NZ . LYS A 1 53 ? 43.429 12.201 38.301 1.00 54.30 ? 53 LYS A NZ 1 ATOM 405 N N . ARG A 1 54 ? 44.088 6.856 37.955 1.00 42.80 ? 54 ARG A N 1 ATOM 406 C CA . ARG A 1 54 ? 44.526 6.181 39.176 1.00 42.66 ? 54 ARG A CA 1 ATOM 407 C C . ARG A 1 54 ? 43.622 6.663 40.322 1.00 45.05 ? 54 ARG A C 1 ATOM 408 O O . ARG A 1 54 ? 43.196 7.824 40.280 1.00 43.39 ? 54 ARG A O 1 ATOM 409 C CB . ARG A 1 54 ? 46.003 6.494 39.504 1.00 44.43 ? 54 ARG A CB 1 ATOM 410 C CG . ARG A 1 54 ? 47.016 6.029 38.447 1.00 52.90 ? 54 ARG A CG 1 ATOM 411 C CD . ARG A 1 54 ? 48.416 6.482 38.781 1.00 66.68 ? 54 ARG A CD 1 ATOM 412 N NE . ARG A 1 54 ? 48.508 7.927 38.996 1.00 88.17 ? 54 ARG A NE 1 ATOM 413 C CZ . ARG A 1 54 ? 49.370 8.723 38.383 1.00 104.91 ? 54 ARG A CZ 1 ATOM 414 N NH1 . ARG A 1 54 ? 50.168 8.244 37.438 1.00 95.28 ? 54 ARG A NH1 1 ATOM 415 N NH2 . ARG A 1 54 ? 49.398 10.020 38.662 1.00 89.21 ? 54 ARG A NH2 1 ATOM 416 N N . PRO A 1 55 ? 43.372 5.834 41.378 1.00 40.94 ? 55 PRO A N 1 ATOM 417 C CA . PRO A 1 55 ? 42.530 6.307 42.490 1.00 40.84 ? 55 PRO A CA 1 ATOM 418 C C . PRO A 1 55 ? 43.019 7.610 43.142 1.00 47.69 ? 55 PRO A C 1 ATOM 419 O O . PRO A 1 55 ? 44.217 7.879 43.166 1.00 47.32 ? 55 PRO A O 1 ATOM 420 C CB . PRO A 1 55 ? 42.573 5.133 43.497 1.00 42.61 ? 55 PRO A CB 1 ATOM 421 C CG . PRO A 1 55 ? 42.865 3.940 42.678 1.00 46.31 ? 55 PRO A CG 1 ATOM 422 C CD . PRO A 1 55 ? 43.796 4.431 41.585 1.00 42.01 ? 55 PRO A CD 1 ATOM 423 N N . TRP A 1 56 ? 42.083 8.398 43.682 1.00 45.80 ? 56 TRP A N 1 ATOM 424 C CA . TRP A 1 56 ? 42.379 9.655 44.376 1.00 45.68 ? 56 TRP A CA 1 ATOM 425 C C . TRP A 1 56 ? 42.007 9.563 45.864 1.00 50.53 ? 56 TRP A C 1 ATOM 426 O O . TRP A 1 56 ? 41.195 8.703 46.279 1.00 49.77 ? 56 TRP A O 1 ATOM 427 C CB . TRP A 1 56 ? 41.635 10.826 43.702 1.00 42.59 ? 56 TRP A CB 1 ATOM 428 C CG . TRP A 1 56 ? 40.143 10.648 43.691 1.00 42.08 ? 56 TRP A CG 1 ATOM 429 C CD1 . TRP A 1 56 ? 39.271 10.915 44.705 1.00 44.69 ? 56 TRP A CD1 1 ATOM 430 C CD2 . TRP A 1 56 ? 39.361 10.098 42.622 1.00 40.71 ? 56 TRP A CD2 1 ATOM 431 N NE1 . TRP A 1 56 ? 37.994 10.569 44.333 1.00 42.79 ? 56 TRP A NE1 1 ATOM 432 C CE2 . TRP A 1 56 ? 38.012 10.096 43.047 1.00 43.44 ? 56 TRP A CE2 1 ATOM 433 C CE3 . TRP A 1 56 ? 39.670 9.618 41.341 1.00 40.75 ? 56 TRP A CE3 1 ATOM 434 C CZ2 . TRP A 1 56 ? 36.969 9.625 42.237 1.00 41.84 ? 56 TRP A CZ2 1 ATOM 435 C CZ3 . TRP A 1 56 ? 38.642 9.133 40.549 1.00 41.41 ? 56 TRP A CZ3 1 ATOM 436 C CH2 . TRP A 1 56 ? 37.307 9.143 40.994 1.00 41.59 ? 56 TRP A CH2 1 ATOM 437 N N . SER A 1 57 ? 42.597 10.461 46.666 1.00 48.87 ? 57 SER A N 1 ATOM 438 C CA . SER A 1 57 ? 42.289 10.513 48.094 1.00 49.18 ? 57 SER A CA 1 ATOM 439 C C . SER A 1 57 ? 41.245 11.617 48.323 1.00 49.61 ? 57 SER A C 1 ATOM 440 O O . SER A 1 57 ? 41.140 12.549 47.529 1.00 49.04 ? 57 SER A O 1 ATOM 441 C CB . SER A 1 57 ? 43.557 10.761 48.916 1.00 55.97 ? 57 SER A CB 1 ATOM 442 O OG . SER A 1 57 ? 43.966 12.113 48.800 1.00 70.44 ? 57 SER A OG 1 ATOM 443 N N . GLY A 1 58 ? 40.476 11.477 49.387 1.00 47.04 ? 58 GLY A N 1 ATOM 444 C CA . GLY A 1 58 ? 39.446 12.432 49.754 1.00 46.43 ? 58 GLY A CA 1 ATOM 445 C C . GLY A 1 58 ? 38.250 12.408 48.833 1.00 50.49 ? 58 GLY A C 1 ATOM 446 O O . GLY A 1 58 ? 38.108 11.527 47.983 1.00 50.90 ? 58 GLY A O 1 ATOM 447 N N . VAL A 1 59 ? 37.388 13.389 49.002 1.00 46.47 ? 59 VAL A N 1 ATOM 448 C CA . VAL A 1 59 ? 36.155 13.502 48.241 1.00 44.65 ? 59 VAL A CA 1 ATOM 449 C C . VAL A 1 59 ? 36.418 14.421 47.056 1.00 49.55 ? 59 VAL A C 1 ATOM 450 O O . VAL A 1 59 ? 36.733 15.601 47.248 1.00 52.33 ? 59 VAL A O 1 ATOM 451 C CB . VAL A 1 59 ? 34.976 14.014 49.128 1.00 46.49 ? 59 VAL A CB 1 ATOM 452 C CG1 . VAL A 1 59 ? 33.652 13.966 48.371 1.00 43.69 ? 59 VAL A CG1 1 ATOM 453 C CG2 . VAL A 1 59 ? 34.882 13.225 50.442 1.00 46.07 ? 59 VAL A CG2 1 ATOM 454 N N . LEU A 1 60 ? 36.329 13.869 45.838 1.00 43.62 ? 60 LEU A N 1 ATOM 455 C CA . LEU A 1 60 ? 36.516 14.625 44.608 1.00 42.52 ? 60 LEU A CA 1 ATOM 456 C C . LEU A 1 60 ? 35.234 15.415 44.353 1.00 44.54 ? 60 LEU A C 1 ATOM 457 O O . LEU A 1 60 ? 34.127 14.869 44.405 1.00 40.81 ? 60 LEU A O 1 ATOM 458 C CB . LEU A 1 60 ? 36.833 13.695 43.416 1.00 42.02 ? 60 LEU A CB 1 ATOM 459 C CG . LEU A 1 60 ? 37.171 14.388 42.069 1.00 45.58 ? 60 LEU A CG 1 ATOM 460 C CD1 . LEU A 1 60 ? 38.351 13.747 41.419 1.00 46.17 ? 60 LEU A CD1 1 ATOM 461 C CD2 . LEU A 1 60 ? 36.041 14.298 41.113 1.00 45.51 ? 60 LEU A CD2 1 ATOM 462 N N . ASP A 1 61 ? 35.388 16.700 44.094 1.00 43.49 ? 61 ASP A N 1 ATOM 463 C CA . ASP A 1 61 ? 34.248 17.539 43.807 1.00 44.18 ? 61 ASP A CA 1 ATOM 464 C C . ASP A 1 61 ? 33.784 17.312 42.357 1.00 45.45 ? 61 ASP A C 1 ATOM 465 O O . ASP A 1 61 ? 34.524 17.608 41.429 1.00 44.53 ? 61 ASP A O 1 ATOM 466 C CB . ASP A 1 61 ? 34.606 19.007 44.024 1.00 47.39 ? 61 ASP A CB 1 ATOM 467 C CG . ASP A 1 61 ? 33.376 19.868 44.041 1.00 60.38 ? 61 ASP A CG 1 ATOM 468 O OD1 . ASP A 1 61 ? 32.741 19.977 45.127 1.00 65.48 ? 61 ASP A OD1 1 ATOM 469 O OD2 . ASP A 1 61 ? 33.000 20.370 42.969 1.00 58.38 ? 61 ASP A OD2 1 ATOM 470 N N . ALA A 1 62 ? 32.571 16.773 42.182 1.00 39.98 ? 62 ALA A N 1 ATOM 471 C CA . ALA A 1 62 ? 31.972 16.509 40.876 1.00 38.15 ? 62 ALA A CA 1 ATOM 472 C C . ALA A 1 62 ? 30.726 17.411 40.700 1.00 40.82 ? 62 ALA A C 1 ATOM 473 O O . ALA A 1 62 ? 29.651 16.953 40.296 1.00 39.77 ? 62 ALA A O 1 ATOM 474 C CB . ALA A 1 62 ? 31.613 15.025 40.767 1.00 38.22 ? 62 ALA A CB 1 ATOM 475 N N . THR A 1 63 ? 30.879 18.708 40.990 1.00 37.13 ? 63 THR A N 1 ATOM 476 C CA . THR A 1 63 ? 29.735 19.624 40.919 1.00 38.12 ? 63 THR A CA 1 ATOM 477 C C . THR A 1 63 ? 29.741 20.545 39.699 1.00 41.26 ? 63 THR A C 1 ATOM 478 O O . THR A 1 63 ? 28.803 21.314 39.518 1.00 40.96 ? 63 THR A O 1 ATOM 479 C CB . THR A 1 63 ? 29.614 20.486 42.205 1.00 44.27 ? 63 THR A CB 1 ATOM 480 O OG1 . THR A 1 63 ? 30.700 21.405 42.219 1.00 44.58 ? 63 THR A OG1 1 ATOM 481 C CG2 . THR A 1 63 ? 29.531 19.666 43.512 1.00 41.34 ? 63 THR A CG2 1 ATOM 482 N N . THR A 1 64 ? 30.823 20.543 38.920 1.00 38.69 ? 64 THR A N 1 ATOM 483 C CA . THR A 1 64 ? 30.937 21.423 37.749 1.00 38.21 ? 64 THR A CA 1 ATOM 484 C C . THR A 1 64 ? 31.537 20.681 36.570 1.00 39.04 ? 64 THR A C 1 ATOM 485 O O . THR A 1 64 ? 32.309 19.742 36.744 1.00 38.33 ? 64 THR A O 1 ATOM 486 C CB . THR A 1 64 ? 31.840 22.653 38.055 1.00 49.75 ? 64 THR A CB 1 ATOM 487 O OG1 . THR A 1 64 ? 33.143 22.179 38.387 1.00 55.57 ? 64 THR A OG1 1 ATOM 488 C CG2 . THR A 1 64 ? 31.314 23.538 39.192 1.00 49.92 ? 64 THR A CG2 1 ATOM 489 N N . PHE A 1 65 ? 31.228 21.133 35.362 1.00 36.36 ? 65 PHE A N 1 ATOM 490 C CA . PHE A 1 65 ? 31.809 20.557 34.155 1.00 33.94 ? 65 PHE A CA 1 ATOM 491 C C . PHE A 1 65 ? 33.297 20.813 34.134 1.00 39.31 ? 65 PHE A C 1 ATOM 492 O O . PHE A 1 65 ? 33.758 21.863 34.566 1.00 40.42 ? 65 PHE A O 1 ATOM 493 C CB . PHE A 1 65 ? 31.192 21.161 32.898 1.00 34.06 ? 65 PHE A CB 1 ATOM 494 C CG . PHE A 1 65 ? 29.792 20.676 32.622 1.00 34.86 ? 65 PHE A CG 1 ATOM 495 C CD1 . PHE A 1 65 ? 29.542 19.328 32.357 1.00 34.60 ? 65 PHE A CD1 1 ATOM 496 C CD2 . PHE A 1 65 ? 28.720 21.573 32.587 1.00 36.94 ? 65 PHE A CD2 1 ATOM 497 C CE1 . PHE A 1 65 ? 28.248 18.880 32.085 1.00 35.38 ? 65 PHE A CE1 1 ATOM 498 C CE2 . PHE A 1 65 ? 27.427 21.122 32.312 1.00 39.14 ? 65 PHE A CE2 1 ATOM 499 C CZ . PHE A 1 65 ? 27.199 19.779 32.069 1.00 36.27 ? 65 PHE A CZ 1 ATOM 500 N N . GLN A 1 66 ? 34.041 19.860 33.625 1.00 35.73 ? 66 GLN A N 1 ATOM 501 C CA . GLN A 1 66 ? 35.472 19.997 33.485 1.00 35.23 ? 66 GLN A CA 1 ATOM 502 C C . GLN A 1 66 ? 35.853 20.587 32.109 1.00 36.53 ? 66 GLN A C 1 ATOM 503 O O . GLN A 1 66 ? 34.976 20.942 31.317 1.00 34.35 ? 66 GLN A O 1 ATOM 504 C CB . GLN A 1 66 ? 36.129 18.648 33.716 1.00 35.95 ? 66 GLN A CB 1 ATOM 505 C CG . GLN A 1 66 ? 36.614 18.489 35.156 1.00 37.72 ? 66 GLN A CG 1 ATOM 506 C CD . GLN A 1 66 ? 37.901 19.232 35.396 1.00 54.43 ? 66 GLN A CD 1 ATOM 507 O OE1 . GLN A 1 66 ? 38.447 19.927 34.512 1.00 46.52 ? 66 GLN A OE1 1 ATOM 508 N NE2 . GLN A 1 66 ? 38.427 19.066 36.593 1.00 44.46 ? 66 GLN A NE2 1 ATOM 509 N N . ASN A 1 67 ? 37.160 20.715 31.849 1.00 33.68 ? 67 ASN A N 1 ATOM 510 C CA . ASN A 1 67 ? 37.717 21.299 30.623 1.00 32.25 ? 67 ASN A CA 1 ATOM 511 C C . ASN A 1 67 ? 37.270 20.591 29.370 1.00 36.09 ? 67 ASN A C 1 ATOM 512 O O . ASN A 1 67 ? 36.999 19.389 29.375 1.00 33.91 ? 67 ASN A O 1 ATOM 513 C CB . ASN A 1 67 ? 39.237 21.320 30.675 1.00 32.76 ? 67 ASN A CB 1 ATOM 514 C CG . ASN A 1 67 ? 39.795 22.165 31.794 1.00 44.90 ? 67 ASN A CG 1 ATOM 515 O OD1 . ASN A 1 67 ? 39.207 23.140 32.229 1.00 40.72 ? 67 ASN A OD1 1 ATOM 516 N ND2 . ASN A 1 67 ? 40.923 21.780 32.315 1.00 41.01 ? 67 ASN A ND2 1 ATOM 517 N N . VAL A 1 68 ? 37.205 21.355 28.287 1.00 33.21 ? 68 VAL A N 1 ATOM 518 C CA . VAL A 1 68 ? 36.847 20.881 26.968 1.00 32.26 ? 68 VAL A CA 1 ATOM 519 C C . VAL A 1 68 ? 38.152 20.467 26.286 1.00 35.29 ? 68 VAL A C 1 ATOM 520 O O . VAL A 1 68 ? 39.186 21.112 26.495 1.00 34.31 ? 68 VAL A O 1 ATOM 521 C CB . VAL A 1 68 ? 36.066 21.984 26.219 1.00 35.68 ? 68 VAL A CB 1 ATOM 522 C CG1 . VAL A 1 68 ? 35.872 21.638 24.752 1.00 35.70 ? 68 VAL A CG1 1 ATOM 523 C CG2 . VAL A 1 68 ? 34.717 22.236 26.901 1.00 34.56 ? 68 VAL A CG2 1 ATOM 524 N N . CYS A 1 69 ? 38.121 19.364 25.521 1.00 31.95 ? 69 CYS A N 1 ATOM 525 C CA . CYS A 1 69 ? 39.298 18.890 24.798 1.00 32.67 ? 69 CYS A CA 1 ATOM 526 C C . CYS A 1 69 ? 39.724 19.936 23.792 1.00 37.62 ? 69 CYS A C 1 ATOM 527 O O . CYS A 1 69 ? 38.872 20.553 23.148 1.00 35.48 ? 69 CYS A O 1 ATOM 528 C CB . CYS A 1 69 ? 39.044 17.527 24.146 1.00 32.61 ? 69 CYS A CB 1 ATOM 529 S SG . CYS A 1 69 ? 38.830 16.178 25.344 1.00 35.88 ? 69 CYS A SG 1 ATOM 530 N N . TYR A 1 70 ? 41.034 20.166 23.704 1.00 35.93 ? 70 TYR A N 1 ATOM 531 C CA . TYR A 1 70 ? 41.618 21.173 22.828 1.00 36.54 ? 70 TYR A CA 1 ATOM 532 C C . TYR A 1 70 ? 41.128 21.036 21.393 1.00 38.80 ? 70 TYR A C 1 ATOM 533 O O . TYR A 1 70 ? 41.135 19.945 20.821 1.00 38.07 ? 70 TYR A O 1 ATOM 534 C CB . TYR A 1 70 ? 43.158 21.196 22.936 1.00 40.19 ? 70 TYR A CB 1 ATOM 535 C CG . TYR A 1 70 ? 43.669 22.603 22.799 1.00 44.75 ? 70 TYR A CG 1 ATOM 536 C CD1 . TYR A 1 70 ? 43.767 23.205 21.558 1.00 46.81 ? 70 TYR A CD1 1 ATOM 537 C CD2 . TYR A 1 70 ? 43.966 23.369 23.924 1.00 47.50 ? 70 TYR A CD2 1 ATOM 538 C CE1 . TYR A 1 70 ? 44.140 24.534 21.431 1.00 48.50 ? 70 TYR A CE1 1 ATOM 539 C CE2 . TYR A 1 70 ? 44.380 24.693 23.808 1.00 49.20 ? 70 TYR A CE2 1 ATOM 540 C CZ . TYR A 1 70 ? 44.435 25.281 22.563 1.00 58.29 ? 70 TYR A CZ 1 ATOM 541 O OH . TYR A 1 70 ? 44.855 26.591 22.462 1.00 66.36 ? 70 TYR A OH 1 ATOM 542 N N . GLN A 1 71 ? 40.567 22.131 20.867 1.00 34.85 ? 71 GLN A N 1 ATOM 543 C CA . GLN A 1 71 ? 39.924 22.152 19.557 1.00 33.96 ? 71 GLN A CA 1 ATOM 544 C C . GLN A 1 71 ? 39.854 23.543 18.935 1.00 39.42 ? 71 GLN A C 1 ATOM 545 O O . GLN A 1 71 ? 39.972 24.559 19.622 1.00 38.10 ? 71 GLN A O 1 ATOM 546 C CB . GLN A 1 71 ? 38.476 21.588 19.655 1.00 34.51 ? 71 GLN A CB 1 ATOM 547 C CG . GLN A 1 71 ? 37.505 22.413 20.550 1.00 29.44 ? 71 GLN A CG 1 ATOM 548 C CD . GLN A 1 71 ? 36.266 21.638 20.905 1.00 37.81 ? 71 GLN A CD 1 ATOM 549 O OE1 . GLN A 1 71 ? 35.155 21.946 20.435 1.00 29.33 ? 71 GLN A OE1 1 ATOM 550 N NE2 . GLN A 1 71 ? 36.423 20.593 21.725 1.00 27.61 ? 71 GLN A NE2 1 ATOM 551 N N . TYR A 1 72 ? 39.569 23.559 17.619 1.00 40.25 ? 72 TYR A N 1 ATOM 552 C CA . TYR A 1 72 ? 39.299 24.744 16.825 1.00 42.10 ? 72 TYR A CA 1 ATOM 553 C C . TYR A 1 72 ? 37.972 25.324 17.313 1.00 45.96 ? 72 TYR A C 1 ATOM 554 O O . TYR A 1 72 ? 37.018 24.565 17.563 1.00 45.29 ? 72 TYR A O 1 ATOM 555 C CB . TYR A 1 72 ? 39.211 24.352 15.335 1.00 45.05 ? 72 TYR A CB 1 ATOM 556 C CG . TYR A 1 72 ? 38.723 25.467 14.435 1.00 50.97 ? 72 TYR A CG 1 ATOM 557 C CD1 . TYR A 1 72 ? 39.587 26.474 14.007 1.00 54.94 ? 72 TYR A CD1 1 ATOM 558 C CD2 . TYR A 1 72 ? 37.396 25.515 14.005 1.00 52.28 ? 72 TYR A CD2 1 ATOM 559 C CE1 . TYR A 1 72 ? 39.137 27.511 13.184 1.00 58.67 ? 72 TYR A CE1 1 ATOM 560 C CE2 . TYR A 1 72 ? 36.931 26.555 13.203 1.00 54.61 ? 72 TYR A CE2 1 ATOM 561 C CZ . TYR A 1 72 ? 37.807 27.545 12.781 1.00 68.41 ? 72 TYR A CZ 1 ATOM 562 O OH . TYR A 1 72 ? 37.335 28.555 11.969 1.00 72.92 ? 72 TYR A OH 1 ATOM 563 N N . VAL A 1 73 ? 37.937 26.656 17.477 1.00 42.86 ? 73 VAL A N 1 ATOM 564 C CA . VAL A 1 73 ? 36.762 27.430 17.904 1.00 43.01 ? 73 VAL A CA 1 ATOM 565 C C . VAL A 1 73 ? 36.235 28.262 16.700 1.00 50.60 ? 73 VAL A C 1 ATOM 566 O O . VAL A 1 73 ? 37.005 29.002 16.095 1.00 49.63 ? 73 VAL A O 1 ATOM 567 C CB . VAL A 1 73 ? 37.096 28.330 19.125 1.00 46.06 ? 73 VAL A CB 1 ATOM 568 C CG1 . VAL A 1 73 ? 35.923 29.246 19.489 1.00 46.16 ? 73 VAL A CG1 1 ATOM 569 C CG2 . VAL A 1 73 ? 37.492 27.487 20.325 1.00 45.29 ? 73 VAL A CG2 1 ATOM 570 N N . ASP A 1 74 ? 34.927 28.187 16.381 1.00 50.32 ? 74 ASP A N 1 ATOM 571 C CA . ASP A 1 74 ? 34.324 28.947 15.269 1.00 51.12 ? 74 ASP A CA 1 ATOM 572 C C . ASP A 1 74 ? 34.127 30.407 15.681 1.00 58.37 ? 74 ASP A C 1 ATOM 573 O O . ASP A 1 74 ? 33.339 30.659 16.598 1.00 57.97 ? 74 ASP A O 1 ATOM 574 C CB . ASP A 1 74 ? 32.976 28.303 14.883 1.00 52.57 ? 74 ASP A CB 1 ATOM 575 C CG . ASP A 1 74 ? 32.386 28.729 13.547 1.00 60.33 ? 74 ASP A CG 1 ATOM 576 O OD1 . ASP A 1 74 ? 32.228 29.963 13.322 1.00 56.16 ? 74 ASP A OD1 1 ATOM 577 O OD2 . ASP A 1 74 ? 31.994 27.838 12.772 1.00 71.23 ? 74 ASP A OD2 1 ATOM 578 N N . THR A 1 75 ? 34.831 31.372 15.017 1.00 58.91 ? 75 THR A N 1 ATOM 579 C CA . THR A 1 75 ? 34.729 32.824 15.337 1.00 60.61 ? 75 THR A CA 1 ATOM 580 C C . THR A 1 75 ? 34.184 33.644 14.159 1.00 67.86 ? 75 THR A C 1 ATOM 581 O O . THR A 1 75 ? 34.111 34.877 14.230 1.00 69.79 ? 75 THR A O 1 ATOM 582 C CB . THR A 1 75 ? 36.077 33.381 15.840 1.00 65.78 ? 75 THR A CB 1 ATOM 583 O OG1 . THR A 1 75 ? 37.106 33.044 14.906 1.00 64.64 ? 75 THR A OG1 1 ATOM 584 C CG2 . THR A 1 75 ? 36.441 32.879 17.225 1.00 64.94 ? 75 THR A CG2 1 ATOM 585 N N . LEU A 1 76 ? 33.809 32.946 13.076 1.00 63.79 ? 76 LEU A N 1 ATOM 586 C CA . LEU A 1 76 ? 33.256 33.490 11.847 1.00 64.16 ? 76 LEU A CA 1 ATOM 587 C C . LEU A 1 76 ? 32.118 34.535 12.084 1.00 68.32 ? 76 LEU A C 1 ATOM 588 O O . LEU A 1 76 ? 32.156 35.632 11.516 1.00 69.83 ? 76 LEU A O 1 ATOM 589 C CB . LEU A 1 76 ? 32.756 32.286 11.015 1.00 64.19 ? 76 LEU A CB 1 ATOM 590 C CG . LEU A 1 76 ? 32.112 32.517 9.650 1.00 71.00 ? 76 LEU A CG 1 ATOM 591 C CD1 . LEU A 1 76 ? 33.034 33.312 8.711 1.00 72.37 ? 76 LEU A CD1 1 ATOM 592 C CD2 . LEU A 1 76 ? 31.755 31.173 9.000 1.00 74.29 ? 76 LEU A CD2 1 ATOM 593 N N . TYR A 1 77 ? 31.142 34.198 12.946 1.00 62.17 ? 77 TYR A N 1 ATOM 594 C CA . TYR A 1 77 ? 29.974 35.021 13.224 1.00 60.78 ? 77 TYR A CA 1 ATOM 595 C C . TYR A 1 77 ? 29.896 35.463 14.703 1.00 64.91 ? 77 TYR A C 1 ATOM 596 O O . TYR A 1 77 ? 29.113 34.896 15.474 1.00 62.19 ? 77 TYR A O 1 ATOM 597 C CB . TYR A 1 77 ? 28.693 34.280 12.800 1.00 60.14 ? 77 TYR A CB 1 ATOM 598 C CG . TYR A 1 77 ? 28.597 33.829 11.359 1.00 60.56 ? 77 TYR A CG 1 ATOM 599 C CD1 . TYR A 1 77 ? 28.486 34.757 10.322 1.00 63.33 ? 77 TYR A CD1 1 ATOM 600 C CD2 . TYR A 1 77 ? 28.436 32.482 11.042 1.00 60.60 ? 77 TYR A CD2 1 ATOM 601 C CE1 . TYR A 1 77 ? 28.290 34.352 9.000 1.00 62.89 ? 77 TYR A CE1 1 ATOM 602 C CE2 . TYR A 1 77 ? 28.240 32.063 9.722 1.00 61.79 ? 77 TYR A CE2 1 ATOM 603 C CZ . TYR A 1 77 ? 28.169 33.001 8.703 1.00 73.73 ? 77 TYR A CZ 1 ATOM 604 O OH . TYR A 1 77 ? 27.956 32.596 7.401 1.00 79.53 ? 77 TYR A OH 1 ATOM 605 N N . PRO A 1 78 ? 30.669 36.513 15.099 1.00 63.52 ? 78 PRO A N 1 ATOM 606 C CA . PRO A 1 78 ? 30.641 36.968 16.498 1.00 63.97 ? 78 PRO A CA 1 ATOM 607 C C . PRO A 1 78 ? 29.259 37.300 17.023 1.00 66.51 ? 78 PRO A C 1 ATOM 608 O O . PRO A 1 78 ? 28.553 38.113 16.428 1.00 66.43 ? 78 PRO A O 1 ATOM 609 C CB . PRO A 1 78 ? 31.570 38.187 16.490 1.00 66.87 ? 78 PRO A CB 1 ATOM 610 C CG . PRO A 1 78 ? 32.521 37.886 15.377 1.00 71.28 ? 78 PRO A CG 1 ATOM 611 C CD . PRO A 1 78 ? 31.649 37.294 14.322 1.00 65.86 ? 78 PRO A CD 1 ATOM 612 N N . GLY A 1 79 ? 28.887 36.644 18.119 1.00 59.91 ? 79 GLY A N 1 ATOM 613 C CA . GLY A 1 79 ? 27.591 36.839 18.755 1.00 58.26 ? 79 GLY A CA 1 ATOM 614 C C . GLY A 1 79 ? 26.464 36.007 18.178 1.00 55.67 ? 79 GLY A C 1 ATOM 615 O O . GLY A 1 79 ? 25.346 36.075 18.699 1.00 55.80 ? 79 GLY A O 1 ATOM 616 N N . PHE A 1 80 ? 26.734 35.212 17.101 1.00 46.20 ? 80 PHE A N 1 ATOM 617 C CA . PHE A 1 80 ? 25.684 34.423 16.461 1.00 42.76 ? 80 PHE A CA 1 ATOM 618 C C . PHE A 1 80 ? 25.465 33.104 17.166 1.00 43.61 ? 80 PHE A C 1 ATOM 619 O O . PHE A 1 80 ? 26.342 32.247 17.169 1.00 41.81 ? 80 PHE A O 1 ATOM 620 C CB . PHE A 1 80 ? 25.919 34.250 14.942 1.00 42.56 ? 80 PHE A CB 1 ATOM 621 C CG . PHE A 1 80 ? 24.848 33.480 14.186 1.00 42.22 ? 80 PHE A CG 1 ATOM 622 C CD1 . PHE A 1 80 ? 23.528 33.935 14.153 1.00 44.58 ? 80 PHE A CD1 1 ATOM 623 C CD2 . PHE A 1 80 ? 25.165 32.322 13.480 1.00 40.91 ? 80 PHE A CD2 1 ATOM 624 C CE1 . PHE A 1 80 ? 22.543 33.231 13.449 1.00 45.01 ? 80 PHE A CE1 1 ATOM 625 C CE2 . PHE A 1 80 ? 24.184 31.626 12.768 1.00 42.95 ? 80 PHE A CE2 1 ATOM 626 C CZ . PHE A 1 80 ? 22.878 32.082 12.758 1.00 42.39 ? 80 PHE A CZ 1 ATOM 627 N N . GLU A 1 81 ? 24.258 32.935 17.731 1.00 41.43 ? 81 GLU A N 1 ATOM 628 C CA . GLU A 1 81 ? 23.818 31.742 18.458 1.00 41.77 ? 81 GLU A CA 1 ATOM 629 C C . GLU A 1 81 ? 23.955 30.475 17.610 1.00 43.75 ? 81 GLU A C 1 ATOM 630 O O . GLU A 1 81 ? 24.371 29.460 18.140 1.00 42.26 ? 81 GLU A O 1 ATOM 631 C CB . GLU A 1 81 ? 22.365 31.919 18.945 1.00 44.46 ? 81 GLU A CB 1 ATOM 632 C CG . GLU A 1 81 ? 21.852 30.817 19.866 1.00 61.87 ? 81 GLU A CG 1 ATOM 633 C CD . GLU A 1 81 ? 22.329 30.859 21.310 1.00 99.92 ? 81 GLU A CD 1 ATOM 634 O OE1 . GLU A 1 81 ? 22.102 31.889 21.988 1.00 109.27 ? 81 GLU A OE1 1 ATOM 635 O OE2 . GLU A 1 81 ? 22.895 29.843 21.777 1.00 96.65 ? 81 GLU A OE2 1 ATOM 636 N N . GLY A 1 82 ? 23.653 30.576 16.313 1.00 40.26 ? 82 GLY A N 1 ATOM 637 C CA . GLY A 1 82 ? 23.701 29.475 15.351 1.00 39.06 ? 82 GLY A CA 1 ATOM 638 C C . GLY A 1 82 ? 24.989 28.683 15.346 1.00 40.84 ? 82 GLY A C 1 ATOM 639 O O . GLY A 1 82 ? 24.953 27.461 15.240 1.00 39.99 ? 82 GLY A O 1 ATOM 640 N N . THR A 1 83 ? 26.127 29.369 15.475 1.00 37.65 ? 83 THR A N 1 ATOM 641 C CA . THR A 1 83 ? 27.450 28.751 15.559 1.00 37.57 ? 83 THR A CA 1 ATOM 642 C C . THR A 1 83 ? 27.933 28.623 17.025 1.00 41.77 ? 83 THR A C 1 ATOM 643 O O . THR A 1 83 ? 28.519 27.610 17.395 1.00 40.18 ? 83 THR A O 1 ATOM 644 C CB . THR A 1 83 ? 28.477 29.574 14.755 1.00 41.71 ? 83 THR A CB 1 ATOM 645 O OG1 . THR A 1 83 ? 28.384 30.950 15.143 1.00 41.24 ? 83 THR A OG1 1 ATOM 646 C CG2 . THR A 1 83 ? 28.278 29.440 13.245 1.00 38.41 ? 83 THR A CG2 1 ATOM 647 N N . GLU A 1 84 ? 27.693 29.660 17.845 1.00 39.76 ? 84 GLU A N 1 ATOM 648 C CA . GLU A 1 84 ? 28.204 29.744 19.204 1.00 40.23 ? 84 GLU A CA 1 ATOM 649 C C . GLU A 1 84 ? 27.632 28.708 20.160 1.00 43.65 ? 84 GLU A C 1 ATOM 650 O O . GLU A 1 84 ? 28.331 28.348 21.120 1.00 43.72 ? 84 GLU A O 1 ATOM 651 C CB . GLU A 1 84 ? 28.084 31.165 19.757 1.00 42.44 ? 84 GLU A CB 1 ATOM 652 C CG . GLU A 1 84 ? 29.347 31.937 19.392 1.00 53.88 ? 84 GLU A CG 1 ATOM 653 C CD . GLU A 1 84 ? 29.332 33.452 19.449 1.00 81.45 ? 84 GLU A CD 1 ATOM 654 O OE1 . GLU A 1 84 ? 28.497 34.014 20.195 1.00 80.83 ? 84 GLU A OE1 1 ATOM 655 O OE2 . GLU A 1 84 ? 30.200 34.075 18.790 1.00 84.08 ? 84 GLU A OE2 1 ATOM 656 N N . MET A 1 85 ? 26.423 28.176 19.891 1.00 38.70 ? 85 MET A N 1 ATOM 657 C CA A MET A 1 85 ? 25.839 27.140 20.748 0.50 37.89 ? 85 MET A CA 1 ATOM 658 C CA B MET A 1 85 ? 25.859 27.141 20.768 0.50 38.55 ? 85 MET A CA 1 ATOM 659 C C . MET A 1 85 ? 26.662 25.823 20.721 1.00 40.69 ? 85 MET A C 1 ATOM 660 O O . MET A 1 85 ? 26.540 24.990 21.626 1.00 39.56 ? 85 MET A O 1 ATOM 661 C CB A MET A 1 85 ? 24.356 26.908 20.394 0.50 39.75 ? 85 MET A CB 1 ATOM 662 C CB B MET A 1 85 ? 24.355 26.913 20.517 0.50 40.97 ? 85 MET A CB 1 ATOM 663 C CG A MET A 1 85 ? 24.118 26.320 19.002 0.50 42.21 ? 85 MET A CG 1 ATOM 664 C CG B MET A 1 85 ? 23.994 26.279 19.166 0.50 44.28 ? 85 MET A CG 1 ATOM 665 S SD A MET A 1 85 ? 22.585 25.350 18.896 0.50 45.33 ? 85 MET A SD 1 ATOM 666 S SD B MET A 1 85 ? 22.336 25.506 19.184 0.50 48.22 ? 85 MET A SD 1 ATOM 667 C CE A MET A 1 85 ? 22.960 24.072 20.003 0.50 41.19 ? 85 MET A CE 1 ATOM 668 C CE B MET A 1 85 ? 21.359 26.844 19.916 0.50 45.67 ? 85 MET A CE 1 ATOM 669 N N . TRP A 1 86 ? 27.500 25.647 19.683 1.00 34.81 ? 86 TRP A N 1 ATOM 670 C CA . TRP A 1 86 ? 28.319 24.456 19.515 1.00 34.22 ? 86 TRP A CA 1 ATOM 671 C C . TRP A 1 86 ? 29.763 24.666 20.001 1.00 36.24 ? 86 TRP A C 1 ATOM 672 O O . TRP A 1 86 ? 30.513 23.694 20.118 1.00 34.47 ? 86 TRP A O 1 ATOM 673 C CB . TRP A 1 86 ? 28.308 24.016 18.028 1.00 32.75 ? 86 TRP A CB 1 ATOM 674 C CG . TRP A 1 86 ? 26.932 23.901 17.449 1.00 33.20 ? 86 TRP A CG 1 ATOM 675 C CD1 . TRP A 1 86 ? 26.322 24.785 16.603 1.00 36.17 ? 86 TRP A CD1 1 ATOM 676 C CD2 . TRP A 1 86 ? 25.961 22.886 17.741 1.00 32.29 ? 86 TRP A CD2 1 ATOM 677 N NE1 . TRP A 1 86 ? 25.039 24.362 16.323 1.00 35.26 ? 86 TRP A NE1 1 ATOM 678 C CE2 . TRP A 1 86 ? 24.795 23.193 17.000 1.00 35.46 ? 86 TRP A CE2 1 ATOM 679 C CE3 . TRP A 1 86 ? 25.978 21.718 18.528 1.00 33.00 ? 86 TRP A CE3 1 ATOM 680 C CZ2 . TRP A 1 86 ? 23.655 22.374 17.018 1.00 34.48 ? 86 TRP A CZ2 1 ATOM 681 C CZ3 . TRP A 1 86 ? 24.849 20.915 18.556 1.00 34.71 ? 86 TRP A CZ3 1 ATOM 682 C CH2 . TRP A 1 86 ? 23.717 21.223 17.784 1.00 35.67 ? 86 TRP A CH2 1 ATOM 683 N N . ASN A 1 87 ? 30.154 25.921 20.250 1.00 34.48 ? 87 ASN A N 1 ATOM 684 C CA . ASN A 1 87 ? 31.507 26.279 20.700 1.00 35.64 ? 87 ASN A CA 1 ATOM 685 C C . ASN A 1 87 ? 31.790 25.856 22.143 1.00 39.97 ? 87 ASN A C 1 ATOM 686 O O . ASN A 1 87 ? 30.843 25.748 22.938 1.00 37.55 ? 87 ASN A O 1 ATOM 687 C CB . ASN A 1 87 ? 31.766 27.787 20.516 1.00 33.74 ? 87 ASN A CB 1 ATOM 688 C CG . ASN A 1 87 ? 32.165 28.152 19.101 1.00 47.55 ? 87 ASN A CG 1 ATOM 689 O OD1 . ASN A 1 87 ? 32.589 27.311 18.299 1.00 43.69 ? 87 ASN A OD1 1 ATOM 690 N ND2 . ASN A 1 87 ? 32.062 29.423 18.775 1.00 39.92 ? 87 ASN A ND2 1 ATOM 691 N N . PRO A 1 88 ? 33.087 25.623 22.505 1.00 38.88 ? 88 PRO A N 1 ATOM 692 C CA . PRO A 1 88 ? 33.408 25.224 23.897 1.00 37.53 ? 88 PRO A CA 1 ATOM 693 C C . PRO A 1 88 ? 32.846 26.203 24.917 1.00 40.77 ? 88 PRO A C 1 ATOM 694 O O . PRO A 1 88 ? 32.883 27.413 24.691 1.00 39.54 ? 88 PRO A O 1 ATOM 695 C CB . PRO A 1 88 ? 34.939 25.228 23.926 1.00 38.72 ? 88 PRO A CB 1 ATOM 696 C CG . PRO A 1 88 ? 35.345 24.969 22.535 1.00 42.93 ? 88 PRO A CG 1 ATOM 697 C CD . PRO A 1 88 ? 34.319 25.692 21.679 1.00 39.27 ? 88 PRO A CD 1 ATOM 698 N N . ASN A 1 89 ? 32.306 25.676 26.025 1.00 36.93 ? 89 ASN A N 1 ATOM 699 C CA . ASN A 1 89 ? 31.738 26.504 27.083 1.00 37.03 ? 89 ASN A CA 1 ATOM 700 C C . ASN A 1 89 ? 32.528 26.360 28.396 1.00 38.89 ? 89 ASN A C 1 ATOM 701 O O . ASN A 1 89 ? 32.092 26.810 29.443 1.00 38.37 ? 89 ASN A O 1 ATOM 702 C CB . ASN A 1 89 ? 30.238 26.223 27.252 1.00 37.89 ? 89 ASN A CB 1 ATOM 703 C CG . ASN A 1 89 ? 29.912 24.838 27.731 1.00 45.77 ? 89 ASN A CG 1 ATOM 704 O OD1 . ASN A 1 89 ? 30.706 23.909 27.578 1.00 37.53 ? 89 ASN A OD1 1 ATOM 705 N ND2 . ASN A 1 89 ? 28.744 24.690 28.342 1.00 38.85 ? 89 ASN A ND2 1 ATOM 706 N N . ARG A 1 90 ? 33.702 25.736 28.327 1.00 34.58 ? 90 ARG A N 1 ATOM 707 C CA . ARG A 1 90 ? 34.650 25.605 29.437 1.00 34.56 ? 90 ARG A CA 1 ATOM 708 C C . ARG A 1 90 ? 36.020 25.776 28.811 1.00 37.80 ? 90 ARG A C 1 ATOM 709 O O . ARG A 1 90 ? 36.146 25.809 27.580 1.00 36.09 ? 90 ARG A O 1 ATOM 710 C CB . ARG A 1 90 ? 34.522 24.257 30.201 1.00 35.29 ? 90 ARG A CB 1 ATOM 711 C CG . ARG A 1 90 ? 33.204 24.055 30.997 1.00 41.66 ? 90 ARG A CG 1 ATOM 712 C CD . ARG A 1 90 ? 33.041 25.047 32.175 1.00 42.95 ? 90 ARG A CD 1 ATOM 713 N NE . ARG A 1 90 ? 31.787 24.848 32.913 1.00 59.82 ? 90 ARG A NE 1 ATOM 714 C CZ . ARG A 1 90 ? 30.603 25.375 32.588 1.00 73.91 ? 90 ARG A CZ 1 ATOM 715 N NH1 . ARG A 1 90 ? 30.491 26.179 31.536 1.00 52.44 ? 90 ARG A NH1 1 ATOM 716 N NH2 . ARG A 1 90 ? 29.529 25.116 33.323 1.00 65.13 ? 90 ARG A NH2 1 ATOM 717 N N . GLU A 1 91 ? 37.039 25.883 29.644 1.00 36.16 ? 91 GLU A N 1 ATOM 718 C CA . GLU A 1 91 ? 38.427 26.075 29.234 1.00 36.40 ? 91 GLU A CA 1 ATOM 719 C C . GLU A 1 91 ? 38.938 24.962 28.324 1.00 40.73 ? 91 GLU A C 1 ATOM 720 O O . GLU A 1 91 ? 38.747 23.775 28.607 1.00 39.01 ? 91 GLU A O 1 ATOM 721 C CB . GLU A 1 91 ? 39.308 26.102 30.481 1.00 37.68 ? 91 GLU A CB 1 ATOM 722 C CG . GLU A 1 91 ? 40.746 26.457 30.146 1.00 44.37 ? 91 GLU A CG 1 ATOM 723 C CD . GLU A 1 91 ? 41.629 26.500 31.365 1.00 51.58 ? 91 GLU A CD 1 ATOM 724 O OE1 . GLU A 1 91 ? 41.098 26.818 32.449 1.00 44.95 ? 91 GLU A OE1 1 ATOM 725 O OE2 . GLU A 1 91 ? 42.825 26.152 31.257 1.00 47.80 ? 91 GLU A OE2 1 ATOM 726 N N . LEU A 1 92 ? 39.654 25.342 27.280 1.00 38.32 ? 92 LEU A N 1 ATOM 727 C CA . LEU A 1 92 ? 40.257 24.347 26.411 1.00 38.31 ? 92 LEU A CA 1 ATOM 728 C C . LEU A 1 92 ? 41.488 23.813 27.096 1.00 42.56 ? 92 LEU A C 1 ATOM 729 O O . LEU A 1 92 ? 42.311 24.588 27.584 1.00 43.47 ? 92 LEU A O 1 ATOM 730 C CB . LEU A 1 92 ? 40.670 24.957 25.065 1.00 38.78 ? 92 LEU A CB 1 ATOM 731 C CG . LEU A 1 92 ? 39.577 25.372 24.106 1.00 43.43 ? 92 LEU A CG 1 ATOM 732 C CD1 . LEU A 1 92 ? 40.208 25.795 22.773 1.00 44.43 ? 92 LEU A CD1 1 ATOM 733 C CD2 . LEU A 1 92 ? 38.612 24.255 23.861 1.00 44.16 ? 92 LEU A CD2 1 ATOM 734 N N . SER A 1 93 ? 41.624 22.493 27.129 1.00 38.20 ? 93 SER A N 1 ATOM 735 C CA . SER A 1 93 ? 42.794 21.867 27.722 1.00 37.27 ? 93 SER A CA 1 ATOM 736 C C . SER A 1 93 ? 42.971 20.485 27.148 1.00 40.23 ? 93 SER A C 1 ATOM 737 O O . SER A 1 93 ? 41.986 19.829 26.817 1.00 39.01 ? 93 SER A O 1 ATOM 738 C CB . SER A 1 93 ? 42.665 21.795 29.248 1.00 37.36 ? 93 SER A CB 1 ATOM 739 O OG . SER A 1 93 ? 43.759 21.105 29.830 1.00 38.77 ? 93 SER A OG 1 ATOM 740 N N . GLU A 1 94 ? 44.224 20.011 27.112 1.00 37.38 ? 94 GLU A N 1 ATOM 741 C CA . GLU A 1 94 ? 44.535 18.628 26.750 1.00 37.33 ? 94 GLU A CA 1 ATOM 742 C C . GLU A 1 94 ? 44.172 17.714 27.950 1.00 41.88 ? 94 GLU A C 1 ATOM 743 O O . GLU A 1 94 ? 43.952 16.516 27.777 1.00 42.09 ? 94 GLU A O 1 ATOM 744 C CB . GLU A 1 94 ? 46.000 18.483 26.394 1.00 38.83 ? 94 GLU A CB 1 ATOM 745 C CG . GLU A 1 94 ? 46.279 18.928 24.975 1.00 39.66 ? 94 GLU A CG 1 ATOM 746 C CD . GLU A 1 94 ? 47.723 18.653 24.616 1.00 53.08 ? 94 GLU A CD 1 ATOM 747 O OE1 . GLU A 1 94 ? 48.032 17.504 24.231 1.00 36.47 ? 94 GLU A OE1 1 ATOM 748 O OE2 . GLU A 1 94 ? 48.567 19.558 24.806 1.00 47.08 ? 94 GLU A OE2 1 ATOM 749 N N . ASP A 1 95 ? 44.056 18.303 29.152 1.00 36.90 ? 95 ASP A N 1 ATOM 750 C CA . ASP A 1 95 ? 43.608 17.608 30.365 1.00 35.32 ? 95 ASP A CA 1 ATOM 751 C C . ASP A 1 95 ? 42.075 17.748 30.311 1.00 37.55 ? 95 ASP A C 1 ATOM 752 O O . ASP A 1 95 ? 41.499 18.705 30.855 1.00 37.10 ? 95 ASP A O 1 ATOM 753 C CB . ASP A 1 95 ? 44.212 18.265 31.622 1.00 36.66 ? 95 ASP A CB 1 ATOM 754 C CG . ASP A 1 95 ? 43.763 17.633 32.936 1.00 43.73 ? 95 ASP A CG 1 ATOM 755 O OD1 . ASP A 1 95 ? 42.923 16.702 32.899 1.00 41.88 ? 95 ASP A OD1 1 ATOM 756 O OD2 . ASP A 1 95 ? 44.257 18.053 33.985 1.00 51.75 ? 95 ASP A OD2 1 ATOM 757 N N . CYS A 1 96 ? 41.425 16.803 29.614 1.00 33.19 ? 96 CYS A N 1 ATOM 758 C CA . CYS A 1 96 ? 39.989 16.893 29.315 1.00 33.09 ? 96 CYS A CA 1 ATOM 759 C C . CYS A 1 96 ? 39.203 15.595 29.454 1.00 36.36 ? 96 CYS A C 1 ATOM 760 O O . CYS A 1 96 ? 38.015 15.568 29.118 1.00 36.18 ? 96 CYS A O 1 ATOM 761 C CB . CYS A 1 96 ? 39.840 17.451 27.901 1.00 32.81 ? 96 CYS A CB 1 ATOM 762 S SG . CYS A 1 96 ? 40.451 16.346 26.598 1.00 36.39 ? 96 CYS A SG 1 ATOM 763 N N . LEU A 1 97 ? 39.854 14.521 29.863 1.00 32.78 ? 97 LEU A N 1 ATOM 764 C CA . LEU A 1 97 ? 39.194 13.216 29.892 1.00 32.42 ? 97 LEU A CA 1 ATOM 765 C C . LEU A 1 97 ? 38.363 13.022 31.167 1.00 35.57 ? 97 LEU A C 1 ATOM 766 O O . LEU A 1 97 ? 38.770 12.358 32.119 1.00 34.92 ? 97 LEU A O 1 ATOM 767 C CB . LEU A 1 97 ? 40.212 12.071 29.626 1.00 32.66 ? 97 LEU A CB 1 ATOM 768 C CG . LEU A 1 97 ? 40.841 12.075 28.193 1.00 34.56 ? 97 LEU A CG 1 ATOM 769 C CD1 . LEU A 1 97 ? 41.666 10.814 27.942 1.00 33.89 ? 97 LEU A CD1 1 ATOM 770 C CD2 . LEU A 1 97 ? 39.765 12.240 27.093 1.00 32.22 ? 97 LEU A CD2 1 ATOM 771 N N . TYR A 1 98 ? 37.171 13.642 31.150 1.00 32.26 ? 98 TYR A N 1 ATOM 772 C CA . TYR A 1 98 ? 36.182 13.611 32.235 1.00 32.20 ? 98 TYR A CA 1 ATOM 773 C C . TYR A 1 98 ? 34.818 13.203 31.694 1.00 34.61 ? 98 TYR A C 1 ATOM 774 O O . TYR A 1 98 ? 34.540 13.364 30.507 1.00 31.37 ? 98 TYR A O 1 ATOM 775 C CB . TYR A 1 98 ? 36.101 14.998 32.909 1.00 34.15 ? 98 TYR A CB 1 ATOM 776 C CG . TYR A 1 98 ? 37.445 15.457 33.441 1.00 35.43 ? 98 TYR A CG 1 ATOM 777 C CD1 . TYR A 1 98 ? 38.332 16.170 32.634 1.00 35.04 ? 98 TYR A CD1 1 ATOM 778 C CD2 . TYR A 1 98 ? 37.837 15.173 34.748 1.00 36.71 ? 98 TYR A CD2 1 ATOM 779 C CE1 . TYR A 1 98 ? 39.586 16.554 33.104 1.00 34.83 ? 98 TYR A CE1 1 ATOM 780 C CE2 . TYR A 1 98 ? 39.086 15.565 35.231 1.00 37.93 ? 98 TYR A CE2 1 ATOM 781 C CZ . TYR A 1 98 ? 39.953 16.263 34.404 1.00 40.32 ? 98 TYR A CZ 1 ATOM 782 O OH . TYR A 1 98 ? 41.181 16.654 34.870 1.00 39.34 ? 98 TYR A OH 1 ATOM 783 N N . LEU A 1 99 ? 33.974 12.650 32.566 1.00 33.39 ? 99 LEU A N 1 ATOM 784 C CA . LEU A 1 99 ? 32.627 12.263 32.172 1.00 32.07 ? 99 LEU A CA 1 ATOM 785 C C . LEU A 1 99 ? 31.615 12.817 33.166 1.00 36.45 ? 99 LEU A C 1 ATOM 786 O O . LEU A 1 99 ? 31.986 13.301 34.244 1.00 34.46 ? 99 LEU A O 1 ATOM 787 C CB . LEU A 1 99 ? 32.469 10.742 31.930 1.00 31.32 ? 99 LEU A CB 1 ATOM 788 C CG . LEU A 1 99 ? 32.816 9.773 33.080 1.00 33.34 ? 99 LEU A CG 1 ATOM 789 C CD1 . LEU A 1 99 ? 31.672 9.716 34.141 1.00 32.51 ? 99 LEU A CD1 1 ATOM 790 C CD2 . LEU A 1 99 ? 33.088 8.391 32.509 1.00 33.48 ? 99 LEU A CD2 1 ATOM 791 N N . ASN A 1 100 ? 30.339 12.775 32.777 1.00 33.42 ? 100 ASN A N 1 ATOM 792 C CA . ASN A 1 100 ? 29.248 13.354 33.559 1.00 33.49 ? 100 ASN A CA 1 ATOM 793 C C . ASN A 1 100 ? 28.153 12.338 33.742 1.00 34.97 ? 100 ASN A C 1 ATOM 794 O O . ASN A 1 100 ? 27.879 11.572 32.831 1.00 32.27 ? 100 ASN A O 1 ATOM 795 C CB . ASN A 1 100 ? 28.686 14.584 32.808 1.00 30.75 ? 100 ASN A CB 1 ATOM 796 C CG . ASN A 1 100 ? 29.753 15.533 32.342 1.00 42.84 ? 100 ASN A CG 1 ATOM 797 O OD1 . ASN A 1 100 ? 30.475 16.152 33.136 1.00 38.74 ? 100 ASN A OD1 1 ATOM 798 N ND2 . ASN A 1 100 ? 29.928 15.611 31.050 1.00 31.84 ? 100 ASN A ND2 1 ATOM 799 N N . VAL A 1 101 ? 27.502 12.350 34.904 1.00 33.19 ? 101 VAL A N 1 ATOM 800 C CA . VAL A 1 101 ? 26.401 11.422 35.200 1.00 33.16 ? 101 VAL A CA 1 ATOM 801 C C . VAL A 1 101 ? 25.223 12.240 35.734 1.00 38.70 ? 101 VAL A C 1 ATOM 802 O O . VAL A 1 101 ? 25.402 13.012 36.664 1.00 38.31 ? 101 VAL A O 1 ATOM 803 C CB . VAL A 1 101 ? 26.802 10.298 36.235 1.00 35.55 ? 101 VAL A CB 1 ATOM 804 C CG1 . VAL A 1 101 ? 25.646 9.317 36.453 1.00 34.94 ? 101 VAL A CG1 1 ATOM 805 C CG2 . VAL A 1 101 ? 28.064 9.537 35.799 1.00 35.03 ? 101 VAL A CG2 1 ATOM 806 N N . TRP A 1 102 ? 24.021 12.037 35.177 1.00 34.61 ? 102 TRP A N 1 ATOM 807 C CA . TRP A 1 102 ? 22.783 12.606 35.695 1.00 34.55 ? 102 TRP A CA 1 ATOM 808 C C . TRP A 1 102 ? 21.908 11.416 36.082 1.00 38.59 ? 102 TRP A C 1 ATOM 809 O O . TRP A 1 102 ? 21.812 10.436 35.348 1.00 37.15 ? 102 TRP A O 1 ATOM 810 C CB . TRP A 1 102 ? 22.025 13.431 34.645 1.00 33.37 ? 102 TRP A CB 1 ATOM 811 C CG . TRP A 1 102 ? 22.642 14.742 34.305 1.00 34.36 ? 102 TRP A CG 1 ATOM 812 C CD1 . TRP A 1 102 ? 22.349 15.961 34.854 1.00 37.56 ? 102 TRP A CD1 1 ATOM 813 C CD2 . TRP A 1 102 ? 23.600 14.984 33.274 1.00 33.70 ? 102 TRP A CD2 1 ATOM 814 N NE1 . TRP A 1 102 ? 23.044 16.953 34.200 1.00 36.03 ? 102 TRP A NE1 1 ATOM 815 C CE2 . TRP A 1 102 ? 23.825 16.384 33.230 1.00 37.34 ? 102 TRP A CE2 1 ATOM 816 C CE3 . TRP A 1 102 ? 24.263 14.154 32.348 1.00 34.65 ? 102 TRP A CE3 1 ATOM 817 C CZ2 . TRP A 1 102 ? 24.676 16.977 32.287 1.00 36.38 ? 102 TRP A CZ2 1 ATOM 818 C CZ3 . TRP A 1 102 ? 25.113 14.741 31.418 1.00 35.85 ? 102 TRP A CZ3 1 ATOM 819 C CH2 . TRP A 1 102 ? 25.325 16.133 31.402 1.00 36.48 ? 102 TRP A CH2 1 ATOM 820 N N . THR A 1 103 ? 21.281 11.494 37.236 1.00 38.27 ? 103 THR A N 1 ATOM 821 C CA . THR A 1 103 ? 20.379 10.448 37.705 1.00 38.31 ? 103 THR A CA 1 ATOM 822 C C . THR A 1 103 ? 19.195 11.130 38.368 1.00 42.15 ? 103 THR A C 1 ATOM 823 O O . THR A 1 103 ? 19.334 12.272 38.816 1.00 41.48 ? 103 THR A O 1 ATOM 824 C CB . THR A 1 103 ? 21.064 9.512 38.775 1.00 46.23 ? 103 THR A CB 1 ATOM 825 O OG1 . THR A 1 103 ? 21.109 10.163 40.032 1.00 48.87 ? 103 THR A OG1 1 ATOM 826 C CG2 . THR A 1 103 ? 22.462 9.056 38.395 1.00 45.43 ? 103 THR A CG2 1 ATOM 827 N N . PRO A 1 104 ? 18.058 10.419 38.551 1.00 39.58 ? 104 PRO A N 1 ATOM 828 C CA . PRO A 1 104 ? 16.950 10.984 39.347 1.00 40.05 ? 104 PRO A CA 1 ATOM 829 C C . PRO A 1 104 ? 17.401 11.319 40.780 1.00 44.48 ? 104 PRO A C 1 ATOM 830 O O . PRO A 1 104 ? 18.393 10.763 41.256 1.00 44.34 ? 104 PRO A O 1 ATOM 831 C CB . PRO A 1 104 ? 15.950 9.813 39.413 1.00 42.27 ? 104 PRO A CB 1 ATOM 832 C CG . PRO A 1 104 ? 16.214 9.047 38.149 1.00 46.41 ? 104 PRO A CG 1 ATOM 833 C CD . PRO A 1 104 ? 17.710 9.079 38.024 1.00 41.32 ? 104 PRO A CD 1 ATOM 834 N N . TYR A 1 105 ? 16.678 12.223 41.461 1.00 41.32 ? 105 TYR A N 1 ATOM 835 C CA . TYR A 1 105 ? 16.925 12.599 42.857 1.00 41.50 ? 105 TYR A CA 1 ATOM 836 C C . TYR A 1 105 ? 15.627 12.309 43.641 1.00 47.56 ? 105 TYR A C 1 ATOM 837 O O . TYR A 1 105 ? 14.601 12.897 43.311 1.00 47.26 ? 105 TYR A O 1 ATOM 838 C CB . TYR A 1 105 ? 17.342 14.085 42.982 1.00 40.89 ? 105 TYR A CB 1 ATOM 839 C CG . TYR A 1 105 ? 17.653 14.552 44.388 1.00 42.09 ? 105 TYR A CG 1 ATOM 840 C CD1 . TYR A 1 105 ? 16.633 14.864 45.284 1.00 43.88 ? 105 TYR A CD1 1 ATOM 841 C CD2 . TYR A 1 105 ? 18.969 14.752 44.804 1.00 41.78 ? 105 TYR A CD2 1 ATOM 842 C CE1 . TYR A 1 105 ? 16.916 15.300 46.580 1.00 42.90 ? 105 TYR A CE1 1 ATOM 843 C CE2 . TYR A 1 105 ? 19.259 15.243 46.080 1.00 42.33 ? 105 TYR A CE2 1 ATOM 844 C CZ . TYR A 1 105 ? 18.227 15.516 46.961 1.00 47.86 ? 105 TYR A CZ 1 ATOM 845 O OH . TYR A 1 105 ? 18.502 15.978 48.221 1.00 48.53 ? 105 TYR A OH 1 ATOM 846 N N . PRO A 1 106 ? 15.630 11.403 44.655 1.00 46.67 ? 106 PRO A N 1 ATOM 847 C CA . PRO A 1 106 ? 16.765 10.568 45.119 1.00 46.19 ? 106 PRO A CA 1 ATOM 848 C C . PRO A 1 106 ? 17.133 9.503 44.072 1.00 50.60 ? 106 PRO A C 1 ATOM 849 O O . PRO A 1 106 ? 16.331 9.231 43.170 1.00 49.16 ? 106 PRO A O 1 ATOM 850 C CB . PRO A 1 106 ? 16.249 9.984 46.445 1.00 48.80 ? 106 PRO A CB 1 ATOM 851 C CG . PRO A 1 106 ? 14.766 9.936 46.279 1.00 54.00 ? 106 PRO A CG 1 ATOM 852 C CD . PRO A 1 106 ? 14.399 11.121 45.429 1.00 48.73 ? 106 PRO A CD 1 ATOM 853 N N . ARG A 1 107 ? 18.352 8.921 44.169 1.00 49.24 ? 107 ARG A N 1 ATOM 854 C CA . ARG A 1 107 ? 18.844 7.922 43.202 1.00 49.86 ? 107 ARG A CA 1 ATOM 855 C C . ARG A 1 107 ? 17.907 6.732 43.074 1.00 56.04 ? 107 ARG A C 1 ATOM 856 O O . ARG A 1 107 ? 17.199 6.416 44.027 1.00 56.25 ? 107 ARG A O 1 ATOM 857 C CB . ARG A 1 107 ? 20.299 7.484 43.471 1.00 49.01 ? 107 ARG A CB 1 ATOM 858 C CG . ARG A 1 107 ? 21.333 8.526 43.002 1.00 52.83 ? 107 ARG A CG 1 ATOM 859 C CD . ARG A 1 107 ? 22.789 8.102 43.161 1.00 54.69 ? 107 ARG A CD 1 ATOM 860 N NE . ARG A 1 107 ? 23.049 7.326 44.387 1.00 54.43 ? 107 ARG A NE 1 ATOM 861 C CZ . ARG A 1 107 ? 23.438 7.853 45.541 1.00 60.95 ? 107 ARG A CZ 1 ATOM 862 N NH1 . ARG A 1 107 ? 23.617 9.161 45.653 1.00 44.05 ? 107 ARG A NH1 1 ATOM 863 N NH2 . ARG A 1 107 ? 23.653 7.074 46.595 1.00 52.14 ? 107 ARG A NH2 1 ATOM 864 N N . PRO A 1 108 ? 17.793 6.137 41.864 1.00 54.95 ? 108 PRO A N 1 ATOM 865 C CA . PRO A 1 108 ? 16.854 5.008 41.690 1.00 56.19 ? 108 PRO A CA 1 ATOM 866 C C . PRO A 1 108 ? 17.069 3.870 42.704 1.00 62.97 ? 108 PRO A C 1 ATOM 867 O O . PRO A 1 108 ? 18.207 3.510 43.002 1.00 62.72 ? 108 PRO A O 1 ATOM 868 C CB . PRO A 1 108 ? 17.131 4.532 40.264 1.00 56.52 ? 108 PRO A CB 1 ATOM 869 C CG . PRO A 1 108 ? 17.783 5.686 39.582 1.00 59.51 ? 108 PRO A CG 1 ATOM 870 C CD . PRO A 1 108 ? 18.548 6.414 40.623 1.00 54.74 ? 108 PRO A CD 1 ATOM 871 N N . ALA A 1 109 ? 15.981 3.323 43.233 1.00 61.70 ? 109 ALA A N 1 ATOM 872 C CA . ALA A 1 109 ? 15.987 2.210 44.198 1.00 63.67 ? 109 ALA A CA 1 ATOM 873 C C . ALA A 1 109 ? 16.387 0.883 43.519 1.00 67.29 ? 109 ALA A C 1 ATOM 874 O O . ALA A 1 109 ? 17.075 0.067 44.135 1.00 67.72 ? 109 ALA A O 1 ATOM 875 C CB . ALA A 1 109 ? 14.610 2.068 44.830 1.00 65.81 ? 109 ALA A CB 1 ATOM 876 N N . SER A 1 110 ? 15.970 0.690 42.246 1.00 61.29 ? 110 SER A N 1 ATOM 877 C CA . SER A 1 110 ? 16.253 -0.505 41.455 1.00 59.90 ? 110 SER A CA 1 ATOM 878 C C . SER A 1 110 ? 17.099 -0.154 40.211 1.00 59.20 ? 110 SER A C 1 ATOM 879 O O . SER A 1 110 ? 17.012 0.984 39.737 1.00 56.95 ? 110 SER A O 1 ATOM 880 C CB . SER A 1 110 ? 14.951 -1.189 41.052 1.00 64.25 ? 110 SER A CB 1 ATOM 881 O OG . SER A 1 110 ? 14.120 -0.301 40.326 1.00 77.61 ? 110 SER A OG 1 ATOM 882 N N . PRO A 1 111 ? 17.927 -1.105 39.681 1.00 52.95 ? 111 PRO A N 1 ATOM 883 C CA . PRO A 1 111 ? 18.763 -0.794 38.501 1.00 49.77 ? 111 PRO A CA 1 ATOM 884 C C . PRO A 1 111 ? 17.974 -0.218 37.320 1.00 51.94 ? 111 PRO A C 1 ATOM 885 O O . PRO A 1 111 ? 16.974 -0.790 36.883 1.00 52.53 ? 111 PRO A O 1 ATOM 886 C CB . PRO A 1 111 ? 19.431 -2.133 38.172 1.00 51.72 ? 111 PRO A CB 1 ATOM 887 C CG . PRO A 1 111 ? 19.420 -2.890 39.464 1.00 58.23 ? 111 PRO A CG 1 ATOM 888 C CD . PRO A 1 111 ? 18.150 -2.495 40.146 1.00 54.71 ? 111 PRO A CD 1 ATOM 889 N N . THR A 1 112 ? 18.405 0.959 36.859 1.00 45.97 ? 112 THR A N 1 ATOM 890 C CA . THR A 1 112 ? 17.781 1.738 35.795 1.00 44.79 ? 112 THR A CA 1 ATOM 891 C C . THR A 1 112 ? 18.581 1.684 34.487 1.00 46.63 ? 112 THR A C 1 ATOM 892 O O . THR A 1 112 ? 19.797 1.878 34.531 1.00 44.25 ? 112 THR A O 1 ATOM 893 C CB . THR A 1 112 ? 17.651 3.193 36.288 1.00 48.96 ? 112 THR A CB 1 ATOM 894 O OG1 . THR A 1 112 ? 16.900 3.170 37.497 1.00 54.62 ? 112 THR A OG1 1 ATOM 895 C CG2 . THR A 1 112 ? 16.969 4.109 35.289 1.00 43.09 ? 112 THR A CG2 1 ATOM 896 N N . PRO A 1 113 ? 17.911 1.523 33.307 1.00 43.41 ? 113 PRO A N 1 ATOM 897 C CA . PRO A 1 113 ? 18.646 1.571 32.026 1.00 40.86 ? 113 PRO A CA 1 ATOM 898 C C . PRO A 1 113 ? 19.482 2.844 31.875 1.00 42.72 ? 113 PRO A C 1 ATOM 899 O O . PRO A 1 113 ? 19.064 3.937 32.271 1.00 43.01 ? 113 PRO A O 1 ATOM 900 C CB . PRO A 1 113 ? 17.528 1.500 30.970 1.00 42.55 ? 113 PRO A CB 1 ATOM 901 C CG . PRO A 1 113 ? 16.439 0.756 31.665 1.00 49.11 ? 113 PRO A CG 1 ATOM 902 C CD . PRO A 1 113 ? 16.467 1.281 33.077 1.00 45.02 ? 113 PRO A CD 1 ATOM 903 N N . VAL A 1 114 ? 20.694 2.672 31.352 1.00 37.10 ? 114 VAL A N 1 ATOM 904 C CA . VAL A 1 114 ? 21.663 3.745 31.165 1.00 35.75 ? 114 VAL A CA 1 ATOM 905 C C . VAL A 1 114 ? 21.697 4.203 29.689 1.00 38.33 ? 114 VAL A C 1 ATOM 906 O O . VAL A 1 114 ? 21.732 3.370 28.790 1.00 38.03 ? 114 VAL A O 1 ATOM 907 C CB . VAL A 1 114 ? 23.073 3.283 31.655 1.00 37.17 ? 114 VAL A CB 1 ATOM 908 C CG1 . VAL A 1 114 ? 24.145 4.344 31.405 1.00 35.70 ? 114 VAL A CG1 1 ATOM 909 C CG2 . VAL A 1 114 ? 23.035 2.890 33.126 1.00 36.83 ? 114 VAL A CG2 1 ATOM 910 N N . LEU A 1 115 ? 21.709 5.509 29.464 1.00 35.89 ? 115 LEU A N 1 ATOM 911 C CA . LEU A 1 115 ? 21.889 6.091 28.125 1.00 36.07 ? 115 LEU A CA 1 ATOM 912 C C . LEU A 1 115 ? 23.271 6.766 28.139 1.00 38.10 ? 115 LEU A C 1 ATOM 913 O O . LEU A 1 115 ? 23.560 7.535 29.054 1.00 37.41 ? 115 LEU A O 1 ATOM 914 C CB . LEU A 1 115 ? 20.803 7.140 27.813 1.00 36.66 ? 115 LEU A CB 1 ATOM 915 C CG . LEU A 1 115 ? 19.494 6.658 27.170 1.00 43.92 ? 115 LEU A CG 1 ATOM 916 C CD1 . LEU A 1 115 ? 18.434 7.726 27.287 1.00 44.37 ? 115 LEU A CD1 1 ATOM 917 C CD2 . LEU A 1 115 ? 19.675 6.401 25.665 1.00 48.66 ? 115 LEU A CD2 1 ATOM 918 N N . ILE A 1 116 ? 24.136 6.453 27.168 1.00 35.19 ? 116 ILE A N 1 ATOM 919 C CA . ILE A 1 116 ? 25.462 7.079 27.088 1.00 32.77 ? 116 ILE A CA 1 ATOM 920 C C . ILE A 1 116 ? 25.519 7.941 25.817 1.00 33.62 ? 116 ILE A C 1 ATOM 921 O O . ILE A 1 116 ? 25.436 7.403 24.714 1.00 32.29 ? 116 ILE A O 1 ATOM 922 C CB . ILE A 1 116 ? 26.646 6.077 27.147 1.00 35.32 ? 116 ILE A CB 1 ATOM 923 C CG1 . ILE A 1 116 ? 26.574 5.135 28.366 1.00 35.17 ? 116 ILE A CG1 1 ATOM 924 C CG2 . ILE A 1 116 ? 27.996 6.841 27.077 1.00 34.65 ? 116 ILE A CG2 1 ATOM 925 C CD1 . ILE A 1 116 ? 27.771 4.119 28.450 1.00 35.42 ? 116 ILE A CD1 1 ATOM 926 N N . TRP A 1 117 ? 25.700 9.262 25.981 1.00 29.89 ? 117 TRP A N 1 ATOM 927 C CA . TRP A 1 117 ? 25.769 10.223 24.877 1.00 29.62 ? 117 TRP A CA 1 ATOM 928 C C . TRP A 1 117 ? 27.189 10.400 24.378 1.00 34.79 ? 117 TRP A C 1 ATOM 929 O O . TRP A 1 117 ? 28.098 10.638 25.190 1.00 35.47 ? 117 TRP A O 1 ATOM 930 C CB . TRP A 1 117 ? 25.203 11.591 25.309 1.00 28.00 ? 117 TRP A CB 1 ATOM 931 C CG . TRP A 1 117 ? 25.323 12.658 24.249 1.00 29.09 ? 117 TRP A CG 1 ATOM 932 C CD1 . TRP A 1 117 ? 26.170 13.734 24.253 1.00 31.24 ? 117 TRP A CD1 1 ATOM 933 C CD2 . TRP A 1 117 ? 24.613 12.707 22.996 1.00 28.69 ? 117 TRP A CD2 1 ATOM 934 N NE1 . TRP A 1 117 ? 26.003 14.467 23.100 1.00 30.91 ? 117 TRP A NE1 1 ATOM 935 C CE2 . TRP A 1 117 ? 25.051 13.861 22.312 1.00 32.34 ? 117 TRP A CE2 1 ATOM 936 C CE3 . TRP A 1 117 ? 23.624 11.899 22.398 1.00 30.42 ? 117 TRP A CE3 1 ATOM 937 C CZ2 . TRP A 1 117 ? 24.518 14.240 21.066 1.00 31.01 ? 117 TRP A CZ2 1 ATOM 938 C CZ3 . TRP A 1 117 ? 23.063 12.299 21.195 1.00 30.82 ? 117 TRP A CZ3 1 ATOM 939 C CH2 . TRP A 1 117 ? 23.519 13.447 20.532 1.00 31.02 ? 117 TRP A CH2 1 ATOM 940 N N . ILE A 1 118 ? 27.377 10.314 23.036 1.00 31.29 ? 118 ILE A N 1 ATOM 941 C CA . ILE A 1 118 ? 28.665 10.576 22.375 1.00 30.40 ? 118 ILE A CA 1 ATOM 942 C C . ILE A 1 118 ? 28.429 11.759 21.442 1.00 31.73 ? 118 ILE A C 1 ATOM 943 O O . ILE A 1 118 ? 27.736 11.608 20.458 1.00 31.05 ? 118 ILE A O 1 ATOM 944 C CB . ILE A 1 118 ? 29.248 9.347 21.618 1.00 33.33 ? 118 ILE A CB 1 ATOM 945 C CG1 . ILE A 1 118 ? 29.357 8.104 22.578 1.00 34.08 ? 118 ILE A CG1 1 ATOM 946 C CG2 . ILE A 1 118 ? 30.621 9.728 21.001 1.00 32.17 ? 118 ILE A CG2 1 ATOM 947 C CD1 . ILE A 1 118 ? 29.800 6.789 21.908 1.00 35.92 ? 118 ILE A CD1 1 ATOM 948 N N . TYR A 1 119 ? 28.975 12.937 21.761 1.00 29.35 ? 119 TYR A N 1 ATOM 949 C CA . TYR A 1 119 ? 28.774 14.132 20.933 1.00 28.45 ? 119 TYR A CA 1 ATOM 950 C C . TYR A 1 119 ? 29.419 14.029 19.562 1.00 31.19 ? 119 TYR A C 1 ATOM 951 O O . TYR A 1 119 ? 30.375 13.265 19.384 1.00 30.21 ? 119 TYR A O 1 ATOM 952 C CB . TYR A 1 119 ? 29.294 15.404 21.640 1.00 29.19 ? 119 TYR A CB 1 ATOM 953 C CG . TYR A 1 119 ? 30.759 15.391 22.055 1.00 29.88 ? 119 TYR A CG 1 ATOM 954 C CD1 . TYR A 1 119 ? 31.773 15.637 21.128 1.00 30.68 ? 119 TYR A CD1 1 ATOM 955 C CD2 . TYR A 1 119 ? 31.121 15.264 23.394 1.00 30.21 ? 119 TYR A CD2 1 ATOM 956 C CE1 . TYR A 1 119 ? 33.120 15.655 21.513 1.00 30.00 ? 119 TYR A CE1 1 ATOM 957 C CE2 . TYR A 1 119 ? 32.457 15.278 23.788 1.00 31.69 ? 119 TYR A CE2 1 ATOM 958 C CZ . TYR A 1 119 ? 33.453 15.471 22.848 1.00 34.68 ? 119 TYR A CZ 1 ATOM 959 O OH . TYR A 1 119 ? 34.755 15.533 23.267 1.00 34.20 ? 119 TYR A OH 1 ATOM 960 N N . GLY A 1 120 ? 28.909 14.832 18.622 1.00 28.52 ? 120 GLY A N 1 ATOM 961 C CA . GLY A 1 120 ? 29.471 15.002 17.288 1.00 29.35 ? 120 GLY A CA 1 ATOM 962 C C . GLY A 1 120 ? 30.325 16.264 17.216 1.00 34.92 ? 120 GLY A C 1 ATOM 963 O O . GLY A 1 120 ? 30.620 16.894 18.245 1.00 33.31 ? 120 GLY A O 1 ATOM 964 N N . GLY A 1 121 ? 30.677 16.657 15.996 1.00 32.21 ? 121 GLY A N 1 ATOM 965 C CA . GLY A 1 121 ? 31.542 17.807 15.730 1.00 31.83 ? 121 GLY A CA 1 ATOM 966 C C . GLY A 1 121 ? 32.714 17.480 14.819 1.00 34.16 ? 121 GLY A C 1 ATOM 967 O O . GLY A 1 121 ? 33.801 18.047 14.970 1.00 33.01 ? 121 GLY A O 1 ATOM 968 N N . GLY A 1 122 ? 32.473 16.565 13.876 1.00 31.33 ? 122 GLY A N 1 ATOM 969 C CA . GLY A 1 122 ? 33.370 16.134 12.806 1.00 30.89 ? 122 GLY A CA 1 ATOM 970 C C . GLY A 1 122 ? 34.682 15.538 13.262 1.00 35.81 ? 122 GLY A C 1 ATOM 971 O O . GLY A 1 122 ? 35.655 15.547 12.500 1.00 35.66 ? 122 GLY A O 1 ATOM 972 N N . PHE A 1 123 ? 34.727 14.998 14.507 1.00 31.50 ? 123 PHE A N 1 ATOM 973 C CA . PHE A 1 123 ? 35.933 14.448 15.144 1.00 29.91 ? 123 PHE A CA 1 ATOM 974 C C . PHE A 1 123 ? 36.992 15.517 15.415 1.00 31.92 ? 123 PHE A C 1 ATOM 975 O O . PHE A 1 123 ? 38.112 15.164 15.746 1.00 30.99 ? 123 PHE A O 1 ATOM 976 C CB . PHE A 1 123 ? 36.539 13.261 14.358 1.00 30.78 ? 123 PHE A CB 1 ATOM 977 C CG . PHE A 1 123 ? 35.658 12.041 14.294 1.00 31.46 ? 123 PHE A CG 1 ATOM 978 C CD1 . PHE A 1 123 ? 35.463 11.244 15.421 1.00 33.10 ? 123 PHE A CD1 1 ATOM 979 C CD2 . PHE A 1 123 ? 35.028 11.681 13.106 1.00 31.69 ? 123 PHE A CD2 1 ATOM 980 C CE1 . PHE A 1 123 ? 34.649 10.110 15.363 1.00 34.62 ? 123 PHE A CE1 1 ATOM 981 C CE2 . PHE A 1 123 ? 34.242 10.520 13.038 1.00 34.84 ? 123 PHE A CE2 1 ATOM 982 C CZ . PHE A 1 123 ? 34.052 9.749 14.166 1.00 34.15 ? 123 PHE A CZ 1 ATOM 983 N N . TYR A 1 124 ? 36.652 16.815 15.270 1.00 29.26 ? 124 TYR A N 1 ATOM 984 C CA . TYR A 1 124 ? 37.606 17.910 15.498 1.00 29.67 ? 124 TYR A CA 1 ATOM 985 C C . TYR A 1 124 ? 37.089 18.876 16.574 1.00 33.12 ? 124 TYR A C 1 ATOM 986 O O . TYR A 1 124 ? 37.788 19.819 16.962 1.00 30.96 ? 124 TYR A O 1 ATOM 987 C CB . TYR A 1 124 ? 37.929 18.658 14.157 1.00 31.21 ? 124 TYR A CB 1 ATOM 988 C CG . TYR A 1 124 ? 36.827 19.572 13.657 1.00 32.90 ? 124 TYR A CG 1 ATOM 989 C CD1 . TYR A 1 124 ? 36.744 20.901 14.080 1.00 34.88 ? 124 TYR A CD1 1 ATOM 990 C CD2 . TYR A 1 124 ? 35.896 19.126 12.723 1.00 33.35 ? 124 TYR A CD2 1 ATOM 991 C CE1 . TYR A 1 124 ? 35.703 21.729 13.660 1.00 34.66 ? 124 TYR A CE1 1 ATOM 992 C CE2 . TYR A 1 124 ? 34.873 19.960 12.261 1.00 34.81 ? 124 TYR A CE2 1 ATOM 993 C CZ . TYR A 1 124 ? 34.781 21.258 12.735 1.00 42.72 ? 124 TYR A CZ 1 ATOM 994 O OH . TYR A 1 124 ? 33.790 22.084 12.266 1.00 45.17 ? 124 TYR A OH 1 ATOM 995 N N . SER A 1 125 ? 35.852 18.661 17.039 1.00 29.71 ? 125 SER A N 1 ATOM 996 C CA . SER A 1 125 ? 35.251 19.564 18.008 1.00 29.02 ? 125 SER A CA 1 ATOM 997 C C . SER A 1 125 ? 34.173 18.850 18.809 1.00 32.74 ? 125 SER A C 1 ATOM 998 O O . SER A 1 125 ? 33.857 17.678 18.543 1.00 31.10 ? 125 SER A O 1 ATOM 999 C CB . SER A 1 125 ? 34.649 20.770 17.269 1.00 31.94 ? 125 SER A CB 1 ATOM 1000 O OG . SER A 1 125 ? 33.617 20.351 16.395 1.00 32.03 ? 125 SER A OG 1 ATOM 1001 N N . GLY A 1 126 ? 33.605 19.583 19.755 1.00 31.10 ? 126 GLY A N 1 ATOM 1002 C CA . GLY A 1 126 ? 32.539 19.113 20.626 1.00 31.01 ? 126 GLY A CA 1 ATOM 1003 C C . GLY A 1 126 ? 32.938 19.007 22.083 1.00 34.04 ? 126 GLY A C 1 ATOM 1004 O O . GLY A 1 126 ? 34.127 19.020 22.432 1.00 34.53 ? 126 GLY A O 1 ATOM 1005 N N . ALA A 1 127 ? 31.932 18.919 22.939 1.00 29.70 ? 127 ALA A N 1 ATOM 1006 C CA . ALA A 1 127 ? 32.084 18.824 24.400 1.00 30.36 ? 127 ALA A CA 1 ATOM 1007 C C . ALA A 1 127 ? 30.828 18.219 24.979 1.00 35.95 ? 127 ALA A C 1 ATOM 1008 O O . ALA A 1 127 ? 29.741 18.476 24.464 1.00 34.82 ? 127 ALA A O 1 ATOM 1009 C CB . ALA A 1 127 ? 32.299 20.209 25.001 1.00 30.61 ? 127 ALA A CB 1 ATOM 1010 N N . ALA A 1 128 ? 30.962 17.433 26.054 1.00 33.77 ? 128 ALA A N 1 ATOM 1011 C CA . ALA A 1 128 ? 29.803 16.829 26.709 1.00 33.46 ? 128 ALA A CA 1 ATOM 1012 C C . ALA A 1 128 ? 29.078 17.882 27.601 1.00 38.95 ? 128 ALA A C 1 ATOM 1013 O O . ALA A 1 128 ? 27.981 17.626 28.098 1.00 38.28 ? 128 ALA A O 1 ATOM 1014 C CB . ALA A 1 128 ? 30.252 15.649 27.549 1.00 33.84 ? 128 ALA A CB 1 ATOM 1015 N N . SER A 1 129 ? 29.687 19.076 27.761 1.00 34.32 ? 129 SER A N 1 ATOM 1016 C CA . SER A 1 129 ? 29.196 20.160 28.611 1.00 32.80 ? 129 SER A CA 1 ATOM 1017 C C . SER A 1 129 ? 28.259 21.144 27.917 1.00 35.90 ? 129 SER A C 1 ATOM 1018 O O . SER A 1 129 ? 27.784 22.071 28.571 1.00 37.00 ? 129 SER A O 1 ATOM 1019 C CB . SER A 1 129 ? 30.378 20.899 29.247 1.00 34.28 ? 129 SER A CB 1 ATOM 1020 O OG . SER A 1 129 ? 31.301 21.397 28.286 1.00 37.52 ? 129 SER A OG 1 ATOM 1021 N N . LEU A 1 130 ? 27.974 20.968 26.608 1.00 31.28 ? 130 LEU A N 1 ATOM 1022 C CA . LEU A 1 130 ? 27.075 21.901 25.906 1.00 30.23 ? 130 LEU A CA 1 ATOM 1023 C C . LEU A 1 130 ? 25.671 21.829 26.459 1.00 35.08 ? 130 LEU A C 1 ATOM 1024 O O . LEU A 1 130 ? 25.229 20.752 26.846 1.00 33.95 ? 130 LEU A O 1 ATOM 1025 C CB . LEU A 1 130 ? 27.052 21.664 24.381 1.00 29.57 ? 130 LEU A CB 1 ATOM 1026 C CG . LEU A 1 130 ? 28.398 21.635 23.647 1.00 34.42 ? 130 LEU A CG 1 ATOM 1027 C CD1 . LEU A 1 130 ? 28.170 21.526 22.158 1.00 33.25 ? 130 LEU A CD1 1 ATOM 1028 C CD2 . LEU A 1 130 ? 29.271 22.876 23.990 1.00 36.43 ? 130 LEU A CD2 1 ATOM 1029 N N . ASP A 1 131 ? 24.981 22.973 26.515 1.00 34.85 ? 131 ASP A N 1 ATOM 1030 C CA . ASP A 1 131 ? 23.595 23.072 27.002 1.00 36.10 ? 131 ASP A CA 1 ATOM 1031 C C . ASP A 1 131 ? 22.619 22.117 26.307 1.00 39.45 ? 131 ASP A C 1 ATOM 1032 O O . ASP A 1 131 ? 21.703 21.653 26.962 1.00 39.88 ? 131 ASP A O 1 ATOM 1033 C CB . ASP A 1 131 ? 23.071 24.513 26.869 1.00 38.08 ? 131 ASP A CB 1 ATOM 1034 C CG . ASP A 1 131 ? 23.665 25.502 27.870 1.00 43.11 ? 131 ASP A CG 1 ATOM 1035 O OD1 . ASP A 1 131 ? 24.385 25.067 28.782 1.00 43.03 ? 131 ASP A OD1 1 ATOM 1036 O OD2 . ASP A 1 131 ? 23.394 26.708 27.741 1.00 53.92 ? 131 ASP A OD2 1 ATOM 1037 N N . VAL A 1 132 ? 22.814 21.813 25.002 1.00 36.03 ? 132 VAL A N 1 ATOM 1038 C CA . VAL A 1 132 ? 21.888 20.914 24.289 1.00 36.39 ? 132 VAL A CA 1 ATOM 1039 C C . VAL A 1 132 ? 22.049 19.450 24.670 1.00 37.34 ? 132 VAL A C 1 ATOM 1040 O O . VAL A 1 132 ? 21.186 18.647 24.295 1.00 35.26 ? 132 VAL A O 1 ATOM 1041 C CB . VAL A 1 132 ? 21.890 21.069 22.758 1.00 40.89 ? 132 VAL A CB 1 ATOM 1042 C CG1 . VAL A 1 132 ? 21.110 22.310 22.354 1.00 42.76 ? 132 VAL A CG1 1 ATOM 1043 C CG2 . VAL A 1 132 ? 23.309 21.062 22.205 1.00 39.58 ? 132 VAL A CG2 1 ATOM 1044 N N . TYR A 1 133 ? 23.151 19.103 25.386 1.00 33.04 ? 133 TYR A N 1 ATOM 1045 C CA . TYR A 1 133 ? 23.437 17.734 25.830 1.00 32.41 ? 133 TYR A CA 1 ATOM 1046 C C . TYR A 1 133 ? 23.128 17.590 27.329 1.00 36.18 ? 133 TYR A C 1 ATOM 1047 O O . TYR A 1 133 ? 23.548 16.619 27.957 1.00 35.60 ? 133 TYR A O 1 ATOM 1048 C CB . TYR A 1 133 ? 24.909 17.343 25.561 1.00 31.78 ? 133 TYR A CB 1 ATOM 1049 C CG . TYR A 1 133 ? 25.403 17.584 24.159 1.00 32.31 ? 133 TYR A CG 1 ATOM 1050 C CD1 . TYR A 1 133 ? 24.554 17.444 23.064 1.00 33.66 ? 133 TYR A CD1 1 ATOM 1051 C CD2 . TYR A 1 133 ? 26.743 17.885 23.912 1.00 32.39 ? 133 TYR A CD2 1 ATOM 1052 C CE1 . TYR A 1 133 ? 25.007 17.659 21.765 1.00 33.29 ? 133 TYR A CE1 1 ATOM 1053 C CE2 . TYR A 1 133 ? 27.209 18.101 22.609 1.00 32.11 ? 133 TYR A CE2 1 ATOM 1054 C CZ . TYR A 1 133 ? 26.333 17.985 21.541 1.00 34.27 ? 133 TYR A CZ 1 ATOM 1055 O OH . TYR A 1 133 ? 26.757 18.183 20.251 1.00 32.49 ? 133 TYR A OH 1 ATOM 1056 N N . ASP A 1 134 ? 22.390 18.550 27.894 1.00 33.50 ? 134 ASP A N 1 ATOM 1057 C CA . ASP A 1 134 ? 22.015 18.559 29.322 1.00 34.50 ? 134 ASP A CA 1 ATOM 1058 C C . ASP A 1 134 ? 21.114 17.360 29.675 1.00 36.64 ? 134 ASP A C 1 ATOM 1059 O O . ASP A 1 134 ? 19.960 17.329 29.258 1.00 34.10 ? 134 ASP A O 1 ATOM 1060 C CB . ASP A 1 134 ? 21.311 19.884 29.637 1.00 36.31 ? 134 ASP A CB 1 ATOM 1061 C CG . ASP A 1 134 ? 20.985 20.140 31.094 1.00 45.12 ? 134 ASP A CG 1 ATOM 1062 O OD1 . ASP A 1 134 ? 21.114 19.196 31.917 1.00 44.56 ? 134 ASP A OD1 1 ATOM 1063 O OD2 . ASP A 1 134 ? 20.570 21.261 31.408 1.00 53.71 ? 134 ASP A OD2 1 ATOM 1064 N N . GLY A 1 135 ? 21.648 16.416 30.467 1.00 33.60 ? 135 GLY A N 1 ATOM 1065 C CA . GLY A 1 135 ? 20.929 15.198 30.832 1.00 33.16 ? 135 GLY A CA 1 ATOM 1066 C C . GLY A 1 135 ? 19.831 15.285 31.881 1.00 36.85 ? 135 GLY A C 1 ATOM 1067 O O . GLY A 1 135 ? 19.188 14.275 32.166 1.00 37.62 ? 135 GLY A O 1 ATOM 1068 N N . ARG A 1 136 ? 19.594 16.462 32.455 1.00 33.64 ? 136 ARG A N 1 ATOM 1069 C CA . ARG A 1 136 ? 18.665 16.652 33.575 1.00 35.30 ? 136 ARG A CA 1 ATOM 1070 C C . ARG A 1 136 ? 17.190 16.370 33.241 1.00 40.37 ? 136 ARG A C 1 ATOM 1071 O O . ARG A 1 136 ? 16.475 15.878 34.106 1.00 39.24 ? 136 ARG A O 1 ATOM 1072 C CB . ARG A 1 136 ? 18.830 18.053 34.224 1.00 35.79 ? 136 ARG A CB 1 ATOM 1073 C CG . ARG A 1 136 ? 18.043 19.211 33.560 1.00 42.77 ? 136 ARG A CG 1 ATOM 1074 C CD . ARG A 1 136 ? 18.200 20.527 34.302 1.00 47.08 ? 136 ARG A CD 1 ATOM 1075 N NE . ARG A 1 136 ? 19.582 21.008 34.204 1.00 53.93 ? 136 ARG A NE 1 ATOM 1076 C CZ . ARG A 1 136 ? 20.143 21.931 34.989 1.00 64.87 ? 136 ARG A CZ 1 ATOM 1077 N NH1 . ARG A 1 136 ? 21.407 22.277 34.812 1.00 44.46 ? 136 ARG A NH1 1 ATOM 1078 N NH2 . ARG A 1 136 ? 19.438 22.517 35.958 1.00 49.32 ? 136 ARG A NH2 1 ATOM 1079 N N . PHE A 1 137 ? 16.745 16.655 31.995 1.00 37.24 ? 137 PHE A N 1 ATOM 1080 C CA . PHE A 1 137 ? 15.342 16.444 31.619 1.00 37.02 ? 137 PHE A CA 1 ATOM 1081 C C . PHE A 1 137 ? 15.038 14.960 31.476 1.00 40.04 ? 137 PHE A C 1 ATOM 1082 O O . PHE A 1 137 ? 14.032 14.501 32.002 1.00 39.29 ? 137 PHE A O 1 ATOM 1083 C CB . PHE A 1 137 ? 14.963 17.231 30.356 1.00 37.20 ? 137 PHE A CB 1 ATOM 1084 C CG . PHE A 1 137 ? 15.405 18.675 30.406 1.00 38.61 ? 137 PHE A CG 1 ATOM 1085 C CD1 . PHE A 1 137 ? 14.666 19.622 31.109 1.00 43.68 ? 137 PHE A CD1 1 ATOM 1086 C CD2 . PHE A 1 137 ? 16.588 19.082 29.784 1.00 39.36 ? 137 PHE A CD2 1 ATOM 1087 C CE1 . PHE A 1 137 ? 15.103 20.950 31.192 1.00 44.56 ? 137 PHE A CE1 1 ATOM 1088 C CE2 . PHE A 1 137 ? 17.013 20.406 29.857 1.00 41.74 ? 137 PHE A CE2 1 ATOM 1089 C CZ . PHE A 1 137 ? 16.273 21.332 30.563 1.00 41.41 ? 137 PHE A CZ 1 ATOM 1090 N N . LEU A 1 138 ? 15.932 14.210 30.825 1.00 36.08 ? 138 LEU A N 1 ATOM 1091 C CA . LEU A 1 138 ? 15.767 12.762 30.670 1.00 36.66 ? 138 LEU A CA 1 ATOM 1092 C C . LEU A 1 138 ? 15.831 12.065 32.026 1.00 38.80 ? 138 LEU A C 1 ATOM 1093 O O . LEU A 1 138 ? 15.026 11.170 32.269 1.00 37.94 ? 138 LEU A O 1 ATOM 1094 C CB . LEU A 1 138 ? 16.788 12.169 29.681 1.00 36.00 ? 138 LEU A CB 1 ATOM 1095 C CG . LEU A 1 138 ? 16.515 12.494 28.203 1.00 39.65 ? 138 LEU A CG 1 ATOM 1096 C CD1 . LEU A 1 138 ? 17.792 12.366 27.359 1.00 37.57 ? 138 LEU A CD1 1 ATOM 1097 C CD2 . LEU A 1 138 ? 15.403 11.615 27.633 1.00 40.62 ? 138 LEU A CD2 1 ATOM 1098 N N . ALA A 1 139 ? 16.736 12.516 32.925 1.00 35.05 ? 139 ALA A N 1 ATOM 1099 C CA . ALA A 1 139 ? 16.864 11.974 34.291 1.00 35.56 ? 139 ALA A CA 1 ATOM 1100 C C . ALA A 1 139 ? 15.588 12.236 35.088 1.00 41.94 ? 139 ALA A C 1 ATOM 1101 O O . ALA A 1 139 ? 15.040 11.309 35.672 1.00 41.89 ? 139 ALA A O 1 ATOM 1102 C CB . ALA A 1 139 ? 18.052 12.602 35.012 1.00 34.97 ? 139 ALA A CB 1 ATOM 1103 N N . GLN A 1 140 ? 15.089 13.489 35.074 1.00 40.34 ? 140 GLN A N 1 ATOM 1104 C CA . GLN A 1 140 ? 13.892 13.852 35.840 1.00 40.95 ? 140 GLN A CA 1 ATOM 1105 C C . GLN A 1 140 ? 12.602 13.260 35.286 1.00 44.49 ? 140 GLN A C 1 ATOM 1106 O O . GLN A 1 140 ? 11.839 12.668 36.048 1.00 43.57 ? 140 GLN A O 1 ATOM 1107 C CB . GLN A 1 140 ? 13.754 15.389 35.961 1.00 41.79 ? 140 GLN A CB 1 ATOM 1108 C CG . GLN A 1 140 ? 13.029 15.849 37.234 1.00 47.45 ? 140 GLN A CG 1 ATOM 1109 C CD . GLN A 1 140 ? 11.526 15.681 37.144 1.00 55.83 ? 140 GLN A CD 1 ATOM 1110 O OE1 . GLN A 1 140 ? 10.909 15.921 36.102 1.00 50.99 ? 140 GLN A OE1 1 ATOM 1111 N NE2 . GLN A 1 140 ? 10.915 15.202 38.218 1.00 47.03 ? 140 GLN A NE2 1 ATOM 1112 N N . VAL A 1 141 ? 12.321 13.478 33.995 1.00 41.15 ? 141 VAL A N 1 ATOM 1113 C CA . VAL A 1 141 ? 11.036 13.069 33.414 1.00 42.25 ? 141 VAL A CA 1 ATOM 1114 C C . VAL A 1 141 ? 10.933 11.551 33.179 1.00 47.43 ? 141 VAL A C 1 ATOM 1115 O O . VAL A 1 141 ? 9.893 10.952 33.484 1.00 46.80 ? 141 VAL A O 1 ATOM 1116 C CB . VAL A 1 141 ? 10.723 13.888 32.128 1.00 44.94 ? 141 VAL A CB 1 ATOM 1117 C CG1 . VAL A 1 141 ? 9.380 13.493 31.531 1.00 45.35 ? 141 VAL A CG1 1 ATOM 1118 C CG2 . VAL A 1 141 ? 10.752 15.383 32.426 1.00 44.52 ? 141 VAL A CG2 1 ATOM 1119 N N . GLU A 1 142 ? 12.008 10.939 32.648 1.00 42.79 ? 142 GLU A N 1 ATOM 1120 C CA . GLU A 1 142 ? 12.013 9.522 32.288 1.00 41.48 ? 142 GLU A CA 1 ATOM 1121 C C . GLU A 1 142 ? 12.679 8.606 33.289 1.00 46.23 ? 142 GLU A C 1 ATOM 1122 O O . GLU A 1 142 ? 12.631 7.390 33.118 1.00 47.67 ? 142 GLU A O 1 ATOM 1123 C CB . GLU A 1 142 ? 12.640 9.343 30.895 1.00 41.54 ? 142 GLU A CB 1 ATOM 1124 C CG . GLU A 1 142 ? 11.827 9.987 29.777 1.00 43.19 ? 142 GLU A CG 1 ATOM 1125 C CD . GLU A 1 142 ? 10.407 9.471 29.632 1.00 59.52 ? 142 GLU A CD 1 ATOM 1126 O OE1 . GLU A 1 142 ? 10.151 8.285 29.947 1.00 56.50 ? 142 GLU A OE1 1 ATOM 1127 O OE2 . GLU A 1 142 ? 9.540 10.270 29.219 1.00 62.12 ? 142 GLU A OE2 1 ATOM 1128 N N . GLY A 1 143 ? 13.291 9.174 34.325 1.00 41.86 ? 143 GLY A N 1 ATOM 1129 C CA . GLY A 1 143 ? 13.973 8.393 35.353 1.00 40.83 ? 143 GLY A CA 1 ATOM 1130 C C . GLY A 1 143 ? 15.260 7.776 34.840 1.00 43.32 ? 143 GLY A C 1 ATOM 1131 O O . GLY A 1 143 ? 15.765 6.824 35.417 1.00 43.76 ? 143 GLY A O 1 ATOM 1132 N N . ALA A 1 144 ? 15.808 8.312 33.745 1.00 40.06 ? 144 ALA A N 1 ATOM 1133 C CA . ALA A 1 144 ? 17.011 7.772 33.124 1.00 38.26 ? 144 ALA A CA 1 ATOM 1134 C C . ALA A 1 144 ? 18.284 8.057 33.897 1.00 40.65 ? 144 ALA A C 1 ATOM 1135 O O . ALA A 1 144 ? 18.372 9.058 34.599 1.00 39.09 ? 144 ALA A O 1 ATOM 1136 C CB . ALA A 1 144 ? 17.148 8.326 31.713 1.00 38.17 ? 144 ALA A CB 1 ATOM 1137 N N . VAL A 1 145 ? 19.287 7.180 33.726 1.00 37.57 ? 145 VAL A N 1 ATOM 1138 C CA . VAL A 1 145 ? 20.647 7.416 34.187 1.00 36.22 ? 145 VAL A CA 1 ATOM 1139 C C . VAL A 1 145 ? 21.370 7.795 32.876 1.00 38.23 ? 145 VAL A C 1 ATOM 1140 O O . VAL A 1 145 ? 21.395 7.013 31.931 1.00 37.60 ? 145 VAL A O 1 ATOM 1141 C CB . VAL A 1 145 ? 21.303 6.239 34.965 1.00 39.85 ? 145 VAL A CB 1 ATOM 1142 C CG1 . VAL A 1 145 ? 22.823 6.447 35.101 1.00 38.77 ? 145 VAL A CG1 1 ATOM 1143 C CG2 . VAL A 1 145 ? 20.655 6.090 36.352 1.00 39.81 ? 145 VAL A CG2 1 ATOM 1144 N N . LEU A 1 146 ? 21.844 9.032 32.783 1.00 35.82 ? 146 LEU A N 1 ATOM 1145 C CA . LEU A 1 146 ? 22.497 9.500 31.568 1.00 34.76 ? 146 LEU A CA 1 ATOM 1146 C C . LEU A 1 146 ? 23.962 9.777 31.819 1.00 36.82 ? 146 LEU A C 1 ATOM 1147 O O . LEU A 1 146 ? 24.321 10.438 32.785 1.00 35.58 ? 146 LEU A O 1 ATOM 1148 C CB . LEU A 1 146 ? 21.790 10.753 30.994 1.00 34.75 ? 146 LEU A CB 1 ATOM 1149 C CG . LEU A 1 146 ? 22.116 11.050 29.510 1.00 39.99 ? 146 LEU A CG 1 ATOM 1150 C CD1 . LEU A 1 146 ? 20.910 11.475 28.786 1.00 39.43 ? 146 LEU A CD1 1 ATOM 1151 C CD2 . LEU A 1 146 ? 23.296 12.071 29.349 1.00 39.04 ? 146 LEU A CD2 1 ATOM 1152 N N . VAL A 1 147 ? 24.810 9.279 30.921 1.00 34.54 ? 147 VAL A N 1 ATOM 1153 C CA . VAL A 1 147 ? 26.246 9.481 31.006 1.00 32.44 ? 147 VAL A CA 1 ATOM 1154 C C . VAL A 1 147 ? 26.723 10.147 29.718 1.00 35.55 ? 147 VAL A C 1 ATOM 1155 O O . VAL A 1 147 ? 26.273 9.769 28.652 1.00 34.26 ? 147 VAL A O 1 ATOM 1156 C CB . VAL A 1 147 ? 26.980 8.131 31.228 1.00 36.57 ? 147 VAL A CB 1 ATOM 1157 C CG1 . VAL A 1 147 ? 28.491 8.342 31.407 1.00 36.44 ? 147 VAL A CG1 1 ATOM 1158 C CG2 . VAL A 1 147 ? 26.387 7.360 32.416 1.00 36.38 ? 147 VAL A CG2 1 ATOM 1159 N N . SER A 1 148 ? 27.667 11.101 29.806 1.00 31.90 ? 148 SER A N 1 ATOM 1160 C CA . SER A 1 148 ? 28.296 11.682 28.611 1.00 30.62 ? 148 SER A CA 1 ATOM 1161 C C . SER A 1 148 ? 29.772 11.862 28.915 1.00 34.03 ? 148 SER A C 1 ATOM 1162 O O . SER A 1 148 ? 30.120 12.197 30.043 1.00 33.18 ? 148 SER A O 1 ATOM 1163 C CB . SER A 1 148 ? 27.634 12.998 28.215 1.00 29.87 ? 148 SER A CB 1 ATOM 1164 O OG . SER A 1 148 ? 27.799 13.945 29.255 1.00 35.60 ? 148 SER A OG 1 ATOM 1165 N N . MET A 1 149 ? 30.641 11.572 27.951 1.00 29.87 ? 149 MET A N 1 ATOM 1166 C CA . MET A 1 149 ? 32.067 11.745 28.197 1.00 28.81 ? 149 MET A CA 1 ATOM 1167 C C . MET A 1 149 ? 32.678 12.710 27.202 1.00 34.99 ? 149 MET A C 1 ATOM 1168 O O . MET A 1 149 ? 32.185 12.865 26.077 1.00 34.97 ? 149 MET A O 1 ATOM 1169 C CB . MET A 1 149 ? 32.807 10.381 28.136 1.00 30.43 ? 149 MET A CB 1 ATOM 1170 C CG . MET A 1 149 ? 33.206 9.885 26.682 1.00 32.95 ? 149 MET A CG 1 ATOM 1171 S SD . MET A 1 149 ? 31.817 9.564 25.505 1.00 35.91 ? 149 MET A SD 1 ATOM 1172 C CE . MET A 1 149 ? 31.213 8.017 26.177 1.00 33.46 ? 149 MET A CE 1 ATOM 1173 N N . ASN A 1 150 ? 33.789 13.325 27.604 1.00 31.99 ? 150 ASN A N 1 ATOM 1174 C CA . ASN A 1 150 ? 34.606 14.086 26.659 1.00 31.51 ? 150 ASN A CA 1 ATOM 1175 C C . ASN A 1 150 ? 35.569 13.059 26.090 1.00 33.79 ? 150 ASN A C 1 ATOM 1176 O O . ASN A 1 150 ? 35.995 12.137 26.803 1.00 32.44 ? 150 ASN A O 1 ATOM 1177 C CB . ASN A 1 150 ? 35.429 15.180 27.362 1.00 30.19 ? 150 ASN A CB 1 ATOM 1178 C CG . ASN A 1 150 ? 34.683 16.438 27.672 1.00 41.05 ? 150 ASN A CG 1 ATOM 1179 O OD1 . ASN A 1 150 ? 33.510 16.591 27.333 1.00 34.41 ? 150 ASN A OD1 1 ATOM 1180 N ND2 . ASN A 1 150 ? 35.340 17.344 28.392 1.00 37.37 ? 150 ASN A ND2 1 ATOM 1181 N N . TYR A 1 151 ? 35.919 13.208 24.820 1.00 30.65 ? 151 TYR A N 1 ATOM 1182 C CA . TYR A 1 151 ? 36.913 12.330 24.188 1.00 30.42 ? 151 TYR A CA 1 ATOM 1183 C C . TYR A 1 151 ? 37.784 13.249 23.336 1.00 35.18 ? 151 TYR A C 1 ATOM 1184 O O . TYR A 1 151 ? 37.291 14.265 22.839 1.00 32.63 ? 151 TYR A O 1 ATOM 1185 C CB . TYR A 1 151 ? 36.258 11.214 23.331 1.00 30.44 ? 151 TYR A CB 1 ATOM 1186 C CG . TYR A 1 151 ? 35.381 11.697 22.186 1.00 31.34 ? 151 TYR A CG 1 ATOM 1187 C CD1 . TYR A 1 151 ? 34.013 11.908 22.367 1.00 32.00 ? 151 TYR A CD1 1 ATOM 1188 C CD2 . TYR A 1 151 ? 35.914 11.913 20.913 1.00 31.45 ? 151 TYR A CD2 1 ATOM 1189 C CE1 . TYR A 1 151 ? 33.204 12.345 21.318 1.00 28.85 ? 151 TYR A CE1 1 ATOM 1190 C CE2 . TYR A 1 151 ? 35.121 12.369 19.864 1.00 31.49 ? 151 TYR A CE2 1 ATOM 1191 C CZ . TYR A 1 151 ? 33.762 12.569 20.065 1.00 36.79 ? 151 TYR A CZ 1 ATOM 1192 O OH . TYR A 1 151 ? 32.979 13.007 19.020 1.00 31.70 ? 151 TYR A OH 1 ATOM 1193 N N . ARG A 1 152 ? 39.056 12.909 23.171 1.00 32.66 ? 152 ARG A N 1 ATOM 1194 C CA . ARG A 1 152 ? 39.964 13.720 22.368 1.00 32.22 ? 152 ARG A CA 1 ATOM 1195 C C . ARG A 1 152 ? 39.532 13.826 20.914 1.00 36.08 ? 152 ARG A C 1 ATOM 1196 O O . ARG A 1 152 ? 39.100 12.833 20.300 1.00 34.39 ? 152 ARG A O 1 ATOM 1197 C CB . ARG A 1 152 ? 41.395 13.205 22.480 1.00 30.55 ? 152 ARG A CB 1 ATOM 1198 C CG . ARG A 1 152 ? 42.056 13.526 23.822 1.00 31.03 ? 152 ARG A CG 1 ATOM 1199 C CD . ARG A 1 152 ? 43.379 12.798 23.911 1.00 32.68 ? 152 ARG A CD 1 ATOM 1200 N NE . ARG A 1 152 ? 43.177 11.373 24.172 1.00 31.99 ? 152 ARG A NE 1 ATOM 1201 C CZ . ARG A 1 152 ? 44.146 10.468 24.239 1.00 47.29 ? 152 ARG A CZ 1 ATOM 1202 N NH1 . ARG A 1 152 ? 45.407 10.815 24.015 1.00 34.93 ? 152 ARG A NH1 1 ATOM 1203 N NH2 . ARG A 1 152 ? 43.864 9.208 24.543 1.00 32.68 ? 152 ARG A NH2 1 ATOM 1204 N N . VAL A 1 153 ? 39.659 15.053 20.366 1.00 33.28 ? 153 VAL A N 1 ATOM 1205 C CA . VAL A 1 153 ? 39.264 15.402 18.988 1.00 31.49 ? 153 VAL A CA 1 ATOM 1206 C C . VAL A 1 153 ? 40.493 15.986 18.260 1.00 36.90 ? 153 VAL A C 1 ATOM 1207 O O . VAL A 1 153 ? 41.521 16.227 18.900 1.00 37.70 ? 153 VAL A O 1 ATOM 1208 C CB . VAL A 1 153 ? 38.032 16.373 18.987 1.00 32.17 ? 153 VAL A CB 1 ATOM 1209 C CG1 . VAL A 1 153 ? 36.766 15.682 19.502 1.00 30.37 ? 153 VAL A CG1 1 ATOM 1210 C CG2 . VAL A 1 153 ? 38.304 17.660 19.773 1.00 30.95 ? 153 VAL A CG2 1 ATOM 1211 N N . GLY A 1 154 ? 40.387 16.155 16.943 1.00 32.38 ? 154 GLY A N 1 ATOM 1212 C CA . GLY A 1 154 ? 41.444 16.693 16.082 1.00 32.00 ? 154 GLY A CA 1 ATOM 1213 C C . GLY A 1 154 ? 42.687 15.831 16.110 1.00 35.42 ? 154 GLY A C 1 ATOM 1214 O O . GLY A 1 154 ? 42.588 14.618 16.275 1.00 33.74 ? 154 GLY A O 1 ATOM 1215 N N . THR A 1 155 ? 43.867 16.464 16.007 1.00 33.14 ? 155 THR A N 1 ATOM 1216 C CA . THR A 1 155 ? 45.159 15.782 16.071 1.00 34.31 ? 155 THR A CA 1 ATOM 1217 C C . THR A 1 155 ? 45.287 14.996 17.394 1.00 37.62 ? 155 THR A C 1 ATOM 1218 O O . THR A 1 155 ? 45.697 13.839 17.386 1.00 37.42 ? 155 THR A O 1 ATOM 1219 C CB . THR A 1 155 ? 46.309 16.801 15.914 1.00 36.15 ? 155 THR A CB 1 ATOM 1220 O OG1 . THR A 1 155 ? 46.175 17.784 16.944 1.00 36.86 ? 155 THR A OG1 1 ATOM 1221 C CG2 . THR A 1 155 ? 46.291 17.494 14.553 1.00 31.58 ? 155 THR A CG2 1 ATOM 1222 N N . PHE A 1 156 ? 44.884 15.605 18.510 1.00 33.68 ? 156 PHE A N 1 ATOM 1223 C CA . PHE A 1 156 ? 44.982 15.004 19.850 1.00 34.70 ? 156 PHE A CA 1 ATOM 1224 C C . PHE A 1 156 ? 44.274 13.661 19.953 1.00 38.00 ? 156 PHE A C 1 ATOM 1225 O O . PHE A 1 156 ? 44.797 12.734 20.562 1.00 37.56 ? 156 PHE A O 1 ATOM 1226 C CB . PHE A 1 156 ? 44.488 15.986 20.938 1.00 35.91 ? 156 PHE A CB 1 ATOM 1227 C CG . PHE A 1 156 ? 45.047 17.375 20.734 1.00 36.84 ? 156 PHE A CG 1 ATOM 1228 C CD1 . PHE A 1 156 ? 46.331 17.698 21.172 1.00 39.74 ? 156 PHE A CD1 1 ATOM 1229 C CD2 . PHE A 1 156 ? 44.315 18.341 20.041 1.00 36.36 ? 156 PHE A CD2 1 ATOM 1230 C CE1 . PHE A 1 156 ? 46.862 18.966 20.945 1.00 41.09 ? 156 PHE A CE1 1 ATOM 1231 C CE2 . PHE A 1 156 ? 44.848 19.605 19.813 1.00 39.10 ? 156 PHE A CE2 1 ATOM 1232 C CZ . PHE A 1 156 ? 46.118 19.906 20.261 1.00 38.80 ? 156 PHE A CZ 1 ATOM 1233 N N . GLY A 1 157 ? 43.136 13.537 19.289 1.00 34.73 ? 157 GLY A N 1 ATOM 1234 C CA . GLY A 1 157 ? 42.396 12.284 19.319 1.00 33.96 ? 157 GLY A CA 1 ATOM 1235 C C . GLY A 1 157 ? 42.601 11.371 18.140 1.00 36.05 ? 157 GLY A C 1 ATOM 1236 O O . GLY A 1 157 ? 42.349 10.173 18.262 1.00 35.36 ? 157 GLY A O 1 ATOM 1237 N N . PHE A 1 158 ? 42.999 11.915 16.967 1.00 31.97 ? 158 PHE A N 1 ATOM 1238 C CA . PHE A 1 158 ? 43.001 11.092 15.771 1.00 31.83 ? 158 PHE A CA 1 ATOM 1239 C C . PHE A 1 158 ? 44.236 11.162 14.884 1.00 38.32 ? 158 PHE A C 1 ATOM 1240 O O . PHE A 1 158 ? 44.261 10.436 13.888 1.00 39.32 ? 158 PHE A O 1 ATOM 1241 C CB . PHE A 1 158 ? 41.724 11.409 14.947 1.00 32.38 ? 158 PHE A CB 1 ATOM 1242 C CG . PHE A 1 158 ? 40.484 10.972 15.703 1.00 32.46 ? 158 PHE A CG 1 ATOM 1243 C CD1 . PHE A 1 158 ? 40.153 9.620 15.810 1.00 34.56 ? 158 PHE A CD1 1 ATOM 1244 C CD2 . PHE A 1 158 ? 39.732 11.894 16.429 1.00 32.54 ? 158 PHE A CD2 1 ATOM 1245 C CE1 . PHE A 1 158 ? 39.102 9.199 16.639 1.00 33.09 ? 158 PHE A CE1 1 ATOM 1246 C CE2 . PHE A 1 158 ? 38.687 11.475 17.259 1.00 33.54 ? 158 PHE A CE2 1 ATOM 1247 C CZ . PHE A 1 158 ? 38.363 10.133 17.333 1.00 31.74 ? 158 PHE A CZ 1 ATOM 1248 N N . LEU A 1 159 ? 45.269 11.959 15.239 1.00 35.58 ? 159 LEU A N 1 ATOM 1249 C CA . LEU A 1 159 ? 46.489 11.975 14.431 1.00 36.23 ? 159 LEU A CA 1 ATOM 1250 C C . LEU A 1 159 ? 47.134 10.599 14.586 1.00 41.97 ? 159 LEU A C 1 ATOM 1251 O O . LEU A 1 159 ? 47.303 10.103 15.715 1.00 40.94 ? 159 LEU A O 1 ATOM 1252 C CB . LEU A 1 159 ? 47.472 13.081 14.857 1.00 36.69 ? 159 LEU A CB 1 ATOM 1253 C CG . LEU A 1 159 ? 48.815 13.122 14.102 1.00 42.33 ? 159 LEU A CG 1 ATOM 1254 C CD1 . LEU A 1 159 ? 49.184 14.531 13.724 1.00 41.68 ? 159 LEU A CD1 1 ATOM 1255 C CD2 . LEU A 1 159 ? 49.933 12.475 14.924 1.00 44.87 ? 159 LEU A CD2 1 ATOM 1256 N N . ALA A 1 160 ? 47.476 9.991 13.449 1.00 38.66 ? 160 ALA A N 1 ATOM 1257 C CA . ALA A 1 160 ? 48.032 8.653 13.430 1.00 39.60 ? 160 ALA A CA 1 ATOM 1258 C C . ALA A 1 160 ? 49.188 8.441 12.484 1.00 44.99 ? 160 ALA A C 1 ATOM 1259 O O . ALA A 1 160 ? 49.222 8.974 11.376 1.00 43.07 ? 160 ALA A O 1 ATOM 1260 C CB . ALA A 1 160 ? 46.934 7.673 13.046 1.00 39.71 ? 160 ALA A CB 1 ATOM 1261 N N . LEU A 1 161 ? 50.130 7.618 12.940 1.00 44.11 ? 161 LEU A N 1 ATOM 1262 C CA A LEU A 1 161 ? 51.220 7.109 12.117 0.50 45.16 ? 161 LEU A CA 1 ATOM 1263 C CA B LEU A 1 161 ? 51.275 7.124 12.172 0.50 45.84 ? 161 LEU A CA 1 ATOM 1264 C C . LEU A 1 161 ? 51.065 5.609 12.257 1.00 49.52 ? 161 LEU A C 1 ATOM 1265 O O . LEU A 1 161 ? 51.531 5.000 13.203 1.00 49.34 ? 161 LEU A O 1 ATOM 1266 C CB A LEU A 1 161 ? 52.605 7.691 12.433 0.50 45.54 ? 161 LEU A CB 1 ATOM 1267 C CB B LEU A 1 161 ? 52.622 7.597 12.771 0.50 46.74 ? 161 LEU A CB 1 ATOM 1268 C CG A LEU A 1 161 ? 52.702 9.143 11.928 0.50 48.57 ? 161 LEU A CG 1 ATOM 1269 C CG B LEU A 1 161 ? 53.016 9.041 12.400 0.50 51.58 ? 161 LEU A CG 1 ATOM 1270 C CD1 A LEU A 1 161 ? 53.183 10.068 12.985 0.50 48.71 ? 161 LEU A CD1 1 ATOM 1271 C CD1 B LEU A 1 161 ? 52.339 10.073 13.301 0.50 50.15 ? 161 LEU A CD1 1 ATOM 1272 C CD2 A LEU A 1 161 ? 53.416 9.267 10.605 0.50 46.68 ? 161 LEU A CD2 1 ATOM 1273 C CD2 B LEU A 1 161 ? 54.486 9.236 12.487 0.50 55.86 ? 161 LEU A CD2 1 ATOM 1274 N N . PRO A 1 162 ? 50.132 5.050 11.426 1.00 47.18 ? 162 PRO A N 1 ATOM 1275 C CA . PRO A 1 162 ? 49.782 3.625 11.563 1.00 47.65 ? 162 PRO A CA 1 ATOM 1276 C C . PRO A 1 162 ? 50.976 2.691 11.612 1.00 53.77 ? 162 PRO A C 1 ATOM 1277 O O . PRO A 1 162 ? 51.896 2.816 10.810 1.00 53.50 ? 162 PRO A O 1 ATOM 1278 C CB . PRO A 1 162 ? 48.851 3.378 10.369 1.00 48.75 ? 162 PRO A CB 1 ATOM 1279 C CG . PRO A 1 162 ? 48.249 4.724 10.096 1.00 50.66 ? 162 PRO A CG 1 ATOM 1280 C CD . PRO A 1 162 ? 49.391 5.656 10.290 1.00 46.58 ? 162 PRO A CD 1 ATOM 1281 N N . GLY A 1 163 ? 50.968 1.812 12.612 1.00 53.22 ? 163 GLY A N 1 ATOM 1282 C CA . GLY A 1 163 ? 52.052 0.870 12.856 1.00 54.28 ? 163 GLY A CA 1 ATOM 1283 C C . GLY A 1 163 ? 52.971 1.338 13.967 1.00 59.09 ? 163 GLY A C 1 ATOM 1284 O O . GLY A 1 163 ? 53.658 0.512 14.572 1.00 61.32 ? 163 GLY A O 1 ATOM 1285 N N . SER A 1 164 ? 52.995 2.665 14.260 1.00 52.82 ? 164 SER A N 1 ATOM 1286 C CA . SER A 1 164 ? 53.833 3.208 15.338 1.00 52.43 ? 164 SER A CA 1 ATOM 1287 C C . SER A 1 164 ? 53.254 2.847 16.707 1.00 56.51 ? 164 SER A C 1 ATOM 1288 O O . SER A 1 164 ? 52.059 2.597 16.830 1.00 55.10 ? 164 SER A O 1 ATOM 1289 C CB . SER A 1 164 ? 53.953 4.726 15.223 1.00 52.27 ? 164 SER A CB 1 ATOM 1290 O OG . SER A 1 164 ? 52.759 5.373 15.635 1.00 50.15 ? 164 SER A OG 1 ATOM 1291 N N . ARG A 1 165 ? 54.091 2.844 17.736 1.00 55.58 ? 165 ARG A N 1 ATOM 1292 C CA . ARG A 1 165 ? 53.614 2.576 19.089 1.00 54.95 ? 165 ARG A CA 1 ATOM 1293 C C . ARG A 1 165 ? 53.156 3.879 19.718 1.00 54.51 ? 165 ARG A C 1 ATOM 1294 O O . ARG A 1 165 ? 52.222 3.873 20.516 1.00 53.50 ? 165 ARG A O 1 ATOM 1295 C CB . ARG A 1 165 ? 54.737 1.969 19.945 1.00 60.73 ? 165 ARG A CB 1 ATOM 1296 C CG . ARG A 1 165 ? 55.066 0.511 19.620 1.00 86.13 ? 165 ARG A CG 1 ATOM 1297 C CD . ARG A 1 165 ? 56.352 0.034 20.285 1.00 111.06 ? 165 ARG A CD 1 ATOM 1298 N NE . ARG A 1 165 ? 56.230 -0.049 21.743 1.00 130.50 ? 165 ARG A NE 1 ATOM 1299 C CZ . ARG A 1 165 ? 57.144 -0.588 22.548 1.00 153.09 ? 165 ARG A CZ 1 ATOM 1300 N NH1 . ARG A 1 165 ? 58.259 -1.107 22.045 1.00 144.47 ? 165 ARG A NH1 1 ATOM 1301 N NH2 . ARG A 1 165 ? 56.948 -0.618 23.860 1.00 141.24 ? 165 ARG A NH2 1 ATOM 1302 N N . GLU A 1 166 ? 53.820 5.001 19.348 1.00 50.25 ? 166 GLU A N 1 ATOM 1303 C CA . GLU A 1 166 ? 53.620 6.333 19.925 1.00 48.67 ? 166 GLU A CA 1 ATOM 1304 C C . GLU A 1 166 ? 52.372 7.089 19.427 1.00 47.26 ? 166 GLU A C 1 ATOM 1305 O O . GLU A 1 166 ? 51.859 7.913 20.174 1.00 44.91 ? 166 GLU A O 1 ATOM 1306 C CB . GLU A 1 166 ? 54.880 7.200 19.764 1.00 51.02 ? 166 GLU A CB 1 ATOM 1307 C CG . GLU A 1 166 ? 56.172 6.562 20.271 1.00 57.47 ? 166 GLU A CG 1 ATOM 1308 C CD . GLU A 1 166 ? 56.978 5.803 19.227 1.00 81.75 ? 166 GLU A CD 1 ATOM 1309 O OE1 . GLU A 1 166 ? 56.429 5.452 18.155 1.00 58.52 ? 166 GLU A OE1 1 ATOM 1310 O OE2 . GLU A 1 166 ? 58.170 5.535 19.499 1.00 91.08 ? 166 GLU A OE2 1 ATOM 1311 N N . ALA A 1 167 ? 51.912 6.842 18.188 1.00 43.48 ? 167 ALA A N 1 ATOM 1312 C CA . ALA A 1 167 ? 50.702 7.461 17.621 1.00 41.71 ? 167 ALA A CA 1 ATOM 1313 C C . ALA A 1 167 ? 49.936 6.394 16.804 1.00 44.93 ? 167 ALA A C 1 ATOM 1314 O O . ALA A 1 167 ? 49.954 6.425 15.564 1.00 44.09 ? 167 ALA A O 1 ATOM 1315 C CB . ALA A 1 167 ? 51.063 8.676 16.757 1.00 42.07 ? 167 ALA A CB 1 ATOM 1316 N N . PRO A 1 168 ? 49.290 5.405 17.475 1.00 41.86 ? 168 PRO A N 1 ATOM 1317 C CA . PRO A 1 168 ? 48.646 4.307 16.718 1.00 41.58 ? 168 PRO A CA 1 ATOM 1318 C C . PRO A 1 168 ? 47.342 4.663 15.993 1.00 45.04 ? 168 PRO A C 1 ATOM 1319 O O . PRO A 1 168 ? 46.906 3.903 15.115 1.00 46.09 ? 168 PRO A O 1 ATOM 1320 C CB . PRO A 1 168 ? 48.424 3.232 17.800 1.00 42.81 ? 168 PRO A CB 1 ATOM 1321 C CG . PRO A 1 168 ? 48.237 4.015 19.054 1.00 45.87 ? 168 PRO A CG 1 ATOM 1322 C CD . PRO A 1 168 ? 49.185 5.174 18.938 1.00 42.71 ? 168 PRO A CD 1 ATOM 1323 N N . GLY A 1 169 ? 46.736 5.793 16.362 1.00 37.92 ? 169 GLY A N 1 ATOM 1324 C CA . GLY A 1 169 ? 45.466 6.222 15.788 1.00 36.13 ? 169 GLY A CA 1 ATOM 1325 C C . GLY A 1 169 ? 44.281 5.780 16.630 1.00 39.74 ? 169 GLY A C 1 ATOM 1326 O O . GLY A 1 169 ? 44.432 4.946 17.529 1.00 37.31 ? 169 GLY A O 1 ATOM 1327 N N . ASN A 1 170 ? 43.097 6.391 16.384 1.00 36.31 ? 170 ASN A N 1 ATOM 1328 C CA . ASN A 1 170 ? 41.827 6.057 17.047 1.00 36.39 ? 170 ASN A CA 1 ATOM 1329 C C . ASN A 1 170 ? 41.816 6.227 18.568 1.00 37.97 ? 170 ASN A C 1 ATOM 1330 O O . ASN A 1 170 ? 40.927 5.681 19.219 1.00 37.33 ? 170 ASN A O 1 ATOM 1331 C CB . ASN A 1 170 ? 41.396 4.602 16.679 1.00 38.06 ? 170 ASN A CB 1 ATOM 1332 C CG . ASN A 1 170 ? 41.156 4.416 15.213 1.00 42.65 ? 170 ASN A CG 1 ATOM 1333 O OD1 . ASN A 1 170 ? 40.597 5.270 14.556 1.00 40.30 ? 170 ASN A OD1 1 ATOM 1334 N ND2 . ASN A 1 170 ? 41.554 3.283 14.667 1.00 36.07 ? 170 ASN A ND2 1 ATOM 1335 N N . VAL A 1 171 ? 42.737 7.018 19.130 1.00 34.58 ? 171 VAL A N 1 ATOM 1336 C CA . VAL A 1 171 ? 42.831 7.172 20.595 1.00 33.51 ? 171 VAL A CA 1 ATOM 1337 C C . VAL A 1 171 ? 41.579 7.892 21.159 1.00 36.76 ? 171 VAL A C 1 ATOM 1338 O O . VAL A 1 171 ? 41.153 7.531 22.240 1.00 36.34 ? 171 VAL A O 1 ATOM 1339 C CB . VAL A 1 171 ? 44.194 7.745 21.103 1.00 36.44 ? 171 VAL A CB 1 ATOM 1340 C CG1 . VAL A 1 171 ? 45.363 6.909 20.556 1.00 36.83 ? 171 VAL A CG1 1 ATOM 1341 C CG2 . VAL A 1 171 ? 44.383 9.230 20.776 1.00 34.50 ? 171 VAL A CG2 1 ATOM 1342 N N . GLY A 1 172 ? 40.924 8.764 20.369 1.00 33.06 ? 172 GLY A N 1 ATOM 1343 C CA . GLY A 1 172 ? 39.663 9.391 20.777 1.00 31.17 ? 172 GLY A CA 1 ATOM 1344 C C . GLY A 1 172 ? 38.543 8.367 20.938 1.00 34.11 ? 172 GLY A C 1 ATOM 1345 O O . GLY A 1 172 ? 37.704 8.498 21.827 1.00 33.32 ? 172 GLY A O 1 ATOM 1346 N N . LEU A 1 173 ? 38.557 7.300 20.106 1.00 32.42 ? 173 LEU A N 1 ATOM 1347 C CA . LEU A 1 173 ? 37.599 6.182 20.200 1.00 32.54 ? 173 LEU A CA 1 ATOM 1348 C C . LEU A 1 173 ? 37.937 5.315 21.412 1.00 36.34 ? 173 LEU A C 1 ATOM 1349 O O . LEU A 1 173 ? 37.038 4.748 22.045 1.00 36.61 ? 173 LEU A O 1 ATOM 1350 C CB . LEU A 1 173 ? 37.607 5.329 18.911 1.00 32.36 ? 173 LEU A CB 1 ATOM 1351 C CG . LEU A 1 173 ? 37.037 5.971 17.638 1.00 35.12 ? 173 LEU A CG 1 ATOM 1352 C CD1 . LEU A 1 173 ? 37.374 5.129 16.437 1.00 33.96 ? 173 LEU A CD1 1 ATOM 1353 C CD2 . LEU A 1 173 ? 35.521 6.167 17.740 1.00 35.96 ? 173 LEU A CD2 1 ATOM 1354 N N . LEU A 1 174 ? 39.236 5.219 21.742 1.00 33.54 ? 174 LEU A N 1 ATOM 1355 C CA . LEU A 1 174 ? 39.698 4.501 22.927 1.00 34.21 ? 174 LEU A CA 1 ATOM 1356 C C . LEU A 1 174 ? 39.316 5.276 24.190 1.00 35.74 ? 174 LEU A C 1 ATOM 1357 O O . LEU A 1 174 ? 39.025 4.651 25.191 1.00 36.88 ? 174 LEU A O 1 ATOM 1358 C CB . LEU A 1 174 ? 41.200 4.183 22.865 1.00 35.35 ? 174 LEU A CB 1 ATOM 1359 C CG . LEU A 1 174 ? 41.648 3.183 21.777 1.00 41.08 ? 174 LEU A CG 1 ATOM 1360 C CD1 . LEU A 1 174 ? 43.185 3.108 21.713 1.00 40.42 ? 174 LEU A CD1 1 ATOM 1361 C CD2 . LEU A 1 174 ? 41.056 1.776 22.024 1.00 43.93 ? 174 LEU A CD2 1 ATOM 1362 N N . ASP A 1 175 ? 39.219 6.627 24.122 1.00 31.79 ? 175 ASP A N 1 ATOM 1363 C CA . ASP A 1 175 ? 38.744 7.454 25.249 1.00 30.99 ? 175 ASP A CA 1 ATOM 1364 C C . ASP A 1 175 ? 37.276 7.122 25.509 1.00 36.81 ? 175 ASP A C 1 ATOM 1365 O O . ASP A 1 175 ? 36.882 6.900 26.659 1.00 37.50 ? 175 ASP A O 1 ATOM 1366 C CB . ASP A 1 175 ? 38.885 8.959 24.949 1.00 30.96 ? 175 ASP A CB 1 ATOM 1367 C CG . ASP A 1 175 ? 40.310 9.423 24.734 1.00 35.09 ? 175 ASP A CG 1 ATOM 1368 O OD1 . ASP A 1 175 ? 41.245 8.715 25.183 1.00 37.18 ? 175 ASP A OD1 1 ATOM 1369 O OD2 . ASP A 1 175 ? 40.493 10.514 24.192 1.00 37.66 ? 175 ASP A OD2 1 ATOM 1370 N N . GLN A 1 176 ? 36.474 7.038 24.423 1.00 32.68 ? 176 GLN A N 1 ATOM 1371 C CA . GLN A 1 176 ? 35.059 6.676 24.496 1.00 30.69 ? 176 GLN A CA 1 ATOM 1372 C C . GLN A 1 176 ? 34.912 5.281 25.118 1.00 34.10 ? 176 GLN A C 1 ATOM 1373 O O . GLN A 1 176 ? 34.121 5.115 26.028 1.00 34.14 ? 176 GLN A O 1 ATOM 1374 C CB . GLN A 1 176 ? 34.437 6.694 23.099 1.00 30.52 ? 176 GLN A CB 1 ATOM 1375 C CG . GLN A 1 176 ? 34.365 8.085 22.485 1.00 31.94 ? 176 GLN A CG 1 ATOM 1376 C CD . GLN A 1 176 ? 33.899 7.994 21.070 1.00 40.73 ? 176 GLN A CD 1 ATOM 1377 O OE1 . GLN A 1 176 ? 33.445 6.935 20.625 1.00 32.89 ? 176 GLN A OE1 1 ATOM 1378 N NE2 . GLN A 1 176 ? 34.013 9.092 20.323 1.00 34.78 ? 176 GLN A NE2 1 ATOM 1379 N N . ARG A 1 177 ? 35.689 4.298 24.632 1.00 31.84 ? 177 ARG A N 1 ATOM 1380 C CA . ARG A 1 177 ? 35.680 2.922 25.133 1.00 32.74 ? 177 ARG A CA 1 ATOM 1381 C C . ARG A 1 177 ? 36.027 2.848 26.625 1.00 36.30 ? 177 ARG A C 1 ATOM 1382 O O . ARG A 1 177 ? 35.384 2.096 27.352 1.00 36.05 ? 177 ARG A O 1 ATOM 1383 C CB . ARG A 1 177 ? 36.631 2.033 24.320 1.00 32.85 ? 177 ARG A CB 1 ATOM 1384 C CG . ARG A 1 177 ? 36.679 0.578 24.855 1.00 38.61 ? 177 ARG A CG 1 ATOM 1385 C CD . ARG A 1 177 ? 37.610 -0.256 24.028 1.00 38.06 ? 177 ARG A CD 1 ATOM 1386 N NE . ARG A 1 177 ? 36.953 -0.592 22.765 1.00 46.70 ? 177 ARG A NE 1 ATOM 1387 C CZ . ARG A 1 177 ? 37.569 -1.099 21.703 1.00 48.44 ? 177 ARG A CZ 1 ATOM 1388 N NH1 . ARG A 1 177 ? 38.880 -1.301 21.721 1.00 40.17 ? 177 ARG A NH1 1 ATOM 1389 N NH2 . ARG A 1 177 ? 36.885 -1.398 20.617 1.00 35.66 ? 177 ARG A NH2 1 ATOM 1390 N N . LEU A 1 178 ? 37.034 3.622 27.069 1.00 34.55 ? 178 LEU A N 1 ATOM 1391 C CA . LEU A 1 178 ? 37.434 3.680 28.473 1.00 35.93 ? 178 LEU A CA 1 ATOM 1392 C C . LEU A 1 178 ? 36.265 4.198 29.337 1.00 39.66 ? 178 LEU A C 1 ATOM 1393 O O . LEU A 1 178 ? 36.006 3.629 30.396 1.00 40.72 ? 178 LEU A O 1 ATOM 1394 C CB . LEU A 1 178 ? 38.706 4.529 28.651 1.00 36.20 ? 178 LEU A CB 1 ATOM 1395 C CG . LEU A 1 178 ? 39.343 4.539 30.054 1.00 40.79 ? 178 LEU A CG 1 ATOM 1396 C CD1 . LEU A 1 178 ? 39.660 3.114 30.535 1.00 39.99 ? 178 LEU A CD1 1 ATOM 1397 C CD2 . LEU A 1 178 ? 40.594 5.369 30.043 1.00 41.98 ? 178 LEU A CD2 1 ATOM 1398 N N . ALA A 1 179 ? 35.523 5.213 28.852 1.00 34.05 ? 179 ALA A N 1 ATOM 1399 C CA . ALA A 1 179 ? 34.340 5.731 29.545 1.00 33.65 ? 179 ALA A CA 1 ATOM 1400 C C . ALA A 1 179 ? 33.220 4.659 29.599 1.00 38.77 ? 179 ALA A C 1 ATOM 1401 O O . ALA A 1 179 ? 32.530 4.566 30.618 1.00 36.84 ? 179 ALA A O 1 ATOM 1402 C CB . ALA A 1 179 ? 33.829 6.980 28.847 1.00 33.28 ? 179 ALA A CB 1 ATOM 1403 N N . LEU A 1 180 ? 33.068 3.830 28.517 1.00 34.80 ? 180 LEU A N 1 ATOM 1404 C CA . LEU A 1 180 ? 32.087 2.727 28.493 1.00 34.68 ? 180 LEU A CA 1 ATOM 1405 C C . LEU A 1 180 ? 32.462 1.664 29.531 1.00 37.83 ? 180 LEU A C 1 ATOM 1406 O O . LEU A 1 180 ? 31.572 1.123 30.193 1.00 37.67 ? 180 LEU A O 1 ATOM 1407 C CB . LEU A 1 180 ? 31.962 2.054 27.102 1.00 34.49 ? 180 LEU A CB 1 ATOM 1408 C CG . LEU A 1 180 ? 31.619 2.913 25.862 1.00 38.09 ? 180 LEU A CG 1 ATOM 1409 C CD1 . LEU A 1 180 ? 31.206 2.034 24.661 1.00 37.74 ? 180 LEU A CD1 1 ATOM 1410 C CD2 . LEU A 1 180 ? 30.622 3.984 26.144 1.00 36.45 ? 180 LEU A CD2 1 ATOM 1411 N N . GLN A 1 181 ? 33.777 1.368 29.663 1.00 34.13 ? 181 GLN A N 1 ATOM 1412 C CA . GLN A 1 181 ? 34.307 0.423 30.659 1.00 35.18 ? 181 GLN A CA 1 ATOM 1413 C C . GLN A 1 181 ? 34.078 0.978 32.078 1.00 39.06 ? 181 GLN A C 1 ATOM 1414 O O . GLN A 1 181 ? 33.714 0.227 32.989 1.00 38.02 ? 181 GLN A O 1 ATOM 1415 C CB . GLN A 1 181 ? 35.793 0.139 30.432 1.00 37.68 ? 181 GLN A CB 1 ATOM 1416 C CG . GLN A 1 181 ? 36.057 -0.590 29.115 1.00 51.22 ? 181 GLN A CG 1 ATOM 1417 C CD . GLN A 1 181 ? 37.508 -0.780 28.768 1.00 64.60 ? 181 GLN A CD 1 ATOM 1418 O OE1 . GLN A 1 181 ? 38.375 0.018 29.137 1.00 59.09 ? 181 GLN A OE1 1 ATOM 1419 N NE2 . GLN A 1 181 ? 37.782 -1.802 27.959 1.00 55.57 ? 181 GLN A NE2 1 ATOM 1420 N N . TRP A 1 182 ? 34.244 2.314 32.242 1.00 35.46 ? 182 TRP A N 1 ATOM 1421 C CA . TRP A 1 182 ? 34.011 3.005 33.509 1.00 35.07 ? 182 TRP A CA 1 ATOM 1422 C C . TRP A 1 182 ? 32.563 2.817 33.916 1.00 39.16 ? 182 TRP A C 1 ATOM 1423 O O . TRP A 1 182 ? 32.308 2.582 35.088 1.00 39.21 ? 182 TRP A O 1 ATOM 1424 C CB . TRP A 1 182 ? 34.376 4.509 33.407 1.00 32.56 ? 182 TRP A CB 1 ATOM 1425 C CG . TRP A 1 182 ? 34.276 5.236 34.728 1.00 33.33 ? 182 TRP A CG 1 ATOM 1426 C CD1 . TRP A 1 182 ? 35.292 5.491 35.607 1.00 36.28 ? 182 TRP A CD1 1 ATOM 1427 C CD2 . TRP A 1 182 ? 33.082 5.788 35.316 1.00 32.51 ? 182 TRP A CD2 1 ATOM 1428 N NE1 . TRP A 1 182 ? 34.807 6.177 36.701 1.00 36.15 ? 182 TRP A NE1 1 ATOM 1429 C CE2 . TRP A 1 182 ? 33.451 6.359 36.555 1.00 36.27 ? 182 TRP A CE2 1 ATOM 1430 C CE3 . TRP A 1 182 ? 31.723 5.834 34.923 1.00 32.91 ? 182 TRP A CE3 1 ATOM 1431 C CZ2 . TRP A 1 182 ? 32.520 6.991 37.395 1.00 34.26 ? 182 TRP A CZ2 1 ATOM 1432 C CZ3 . TRP A 1 182 ? 30.797 6.442 35.767 1.00 33.38 ? 182 TRP A CZ3 1 ATOM 1433 C CH2 . TRP A 1 182 ? 31.198 7.024 36.978 1.00 34.14 ? 182 TRP A CH2 1 ATOM 1434 N N . VAL A 1 183 ? 31.614 2.907 32.947 1.00 36.32 ? 183 VAL A N 1 ATOM 1435 C CA . VAL A 1 183 ? 30.177 2.732 33.206 1.00 35.02 ? 183 VAL A CA 1 ATOM 1436 C C . VAL A 1 183 ? 29.900 1.294 33.691 1.00 38.91 ? 183 VAL A C 1 ATOM 1437 O O . VAL A 1 183 ? 29.247 1.114 34.720 1.00 40.22 ? 183 VAL A O 1 ATOM 1438 C CB . VAL A 1 183 ? 29.312 3.156 31.989 1.00 37.62 ? 183 VAL A CB 1 ATOM 1439 C CG1 . VAL A 1 183 ? 27.847 2.715 32.154 1.00 36.73 ? 183 VAL A CG1 1 ATOM 1440 C CG2 . VAL A 1 183 ? 29.404 4.669 31.770 1.00 36.16 ? 183 VAL A CG2 1 ATOM 1441 N N . GLN A 1 184 ? 30.457 0.286 33.000 1.00 35.73 ? 184 GLN A N 1 ATOM 1442 C CA . GLN A 1 184 ? 30.299 -1.123 33.376 1.00 37.23 ? 184 GLN A CA 1 ATOM 1443 C C . GLN A 1 184 ? 30.676 -1.362 34.825 1.00 40.87 ? 184 GLN A C 1 ATOM 1444 O O . GLN A 1 184 ? 29.938 -2.023 35.563 1.00 42.83 ? 184 GLN A O 1 ATOM 1445 C CB . GLN A 1 184 ? 31.123 -2.039 32.455 1.00 38.58 ? 184 GLN A CB 1 ATOM 1446 C CG . GLN A 1 184 ? 30.476 -2.259 31.080 1.00 41.58 ? 184 GLN A CG 1 ATOM 1447 C CD . GLN A 1 184 ? 29.108 -2.891 31.190 1.00 53.16 ? 184 GLN A CD 1 ATOM 1448 O OE1 . GLN A 1 184 ? 28.959 -4.064 31.544 1.00 53.24 ? 184 GLN A OE1 1 ATOM 1449 N NE2 . GLN A 1 184 ? 28.081 -2.100 30.963 1.00 37.93 ? 184 GLN A NE2 1 ATOM 1450 N N . GLU A 1 185 ? 31.802 -0.790 35.245 1.00 35.88 ? 185 GLU A N 1 ATOM 1451 C CA . GLU A 1 185 ? 32.268 -1.003 36.597 1.00 36.15 ? 185 GLU A CA 1 ATOM 1452 C C . GLU A 1 185 ? 31.573 -0.151 37.654 1.00 40.11 ? 185 GLU A C 1 ATOM 1453 O O . GLU A 1 185 ? 31.376 -0.630 38.779 1.00 42.82 ? 185 GLU A O 1 ATOM 1454 C CB . GLU A 1 185 ? 33.793 -0.827 36.693 1.00 37.41 ? 185 GLU A CB 1 ATOM 1455 C CG . GLU A 1 185 ? 34.239 -1.124 38.129 1.00 41.75 ? 185 GLU A CG 1 ATOM 1456 C CD . GLU A 1 185 ? 35.698 -1.284 38.453 1.00 60.12 ? 185 GLU A CD 1 ATOM 1457 O OE1 . GLU A 1 185 ? 35.996 -1.831 39.542 1.00 50.93 ? 185 GLU A OE1 1 ATOM 1458 O OE2 . GLU A 1 185 ? 36.539 -0.820 37.649 1.00 55.51 ? 185 GLU A OE2 1 ATOM 1459 N N . ASN A 1 186 ? 31.248 1.102 37.326 1.00 34.86 ? 186 ASN A N 1 ATOM 1460 C CA . ASN A 1 186 ? 30.788 2.035 38.347 1.00 34.96 ? 186 ASN A CA 1 ATOM 1461 C C . ASN A 1 186 ? 29.356 2.502 38.322 1.00 38.33 ? 186 ASN A C 1 ATOM 1462 O O . ASN A 1 186 ? 28.928 3.037 39.336 1.00 38.35 ? 186 ASN A O 1 ATOM 1463 C CB . ASN A 1 186 ? 31.685 3.277 38.310 1.00 34.85 ? 186 ASN A CB 1 ATOM 1464 C CG . ASN A 1 186 ? 33.124 2.940 38.544 1.00 41.83 ? 186 ASN A CG 1 ATOM 1465 O OD1 . ASN A 1 186 ? 33.506 2.566 39.636 1.00 37.13 ? 186 ASN A OD1 1 ATOM 1466 N ND2 . ASN A 1 186 ? 33.935 2.984 37.498 1.00 31.69 ? 186 ASN A ND2 1 ATOM 1467 N N . ILE A 1 187 ? 28.623 2.361 37.214 1.00 36.98 ? 187 ILE A N 1 ATOM 1468 C CA . ILE A 1 187 ? 27.269 2.936 37.128 1.00 36.29 ? 187 ILE A CA 1 ATOM 1469 C C . ILE A 1 187 ? 26.271 2.382 38.174 1.00 39.49 ? 187 ILE A C 1 ATOM 1470 O O . ILE A 1 187 ? 25.371 3.137 38.565 1.00 38.26 ? 187 ILE A O 1 ATOM 1471 C CB . ILE A 1 187 ? 26.686 2.893 35.691 1.00 37.66 ? 187 ILE A CB 1 ATOM 1472 C CG1 . ILE A 1 187 ? 25.768 4.111 35.446 1.00 37.10 ? 187 ILE A CG1 1 ATOM 1473 C CG2 . ILE A 1 187 ? 26.024 1.558 35.336 1.00 37.33 ? 187 ILE A CG2 1 ATOM 1474 C CD1 . ILE A 1 187 ? 26.543 5.500 35.439 1.00 32.53 ? 187 ILE A CD1 1 ATOM 1475 N N . ALA A 1 188 ? 26.447 1.111 38.657 1.00 36.42 ? 188 ALA A N 1 ATOM 1476 C CA . ALA A 1 188 ? 25.570 0.530 39.697 1.00 37.39 ? 188 ALA A CA 1 ATOM 1477 C C . ALA A 1 188 ? 25.557 1.394 40.970 1.00 44.38 ? 188 ALA A C 1 ATOM 1478 O O . ALA A 1 188 ? 24.545 1.420 41.671 1.00 45.04 ? 188 ALA A O 1 ATOM 1479 C CB . ALA A 1 188 ? 25.997 -0.890 40.049 1.00 38.37 ? 188 ALA A CB 1 ATOM 1480 N N . ALA A 1 189 ? 26.660 2.133 41.240 1.00 41.08 ? 189 ALA A N 1 ATOM 1481 C CA . ALA A 1 189 ? 26.783 3.002 42.425 1.00 40.93 ? 189 ALA A CA 1 ATOM 1482 C C . ALA A 1 189 ? 25.825 4.208 42.343 1.00 44.56 ? 189 ALA A C 1 ATOM 1483 O O . ALA A 1 189 ? 25.546 4.834 43.354 1.00 44.65 ? 189 ALA A O 1 ATOM 1484 C CB . ALA A 1 189 ? 28.230 3.482 42.572 1.00 41.13 ? 189 ALA A CB 1 ATOM 1485 N N . PHE A 1 190 ? 25.342 4.534 41.135 1.00 40.31 ? 190 PHE A N 1 ATOM 1486 C CA . PHE A 1 190 ? 24.426 5.643 40.862 1.00 38.70 ? 190 PHE A CA 1 ATOM 1487 C C . PHE A 1 190 ? 23.001 5.148 40.625 1.00 43.26 ? 190 PHE A C 1 ATOM 1488 O O . PHE A 1 190 ? 22.113 5.953 40.336 1.00 43.87 ? 190 PHE A O 1 ATOM 1489 C CB . PHE A 1 190 ? 24.909 6.433 39.635 1.00 38.54 ? 190 PHE A CB 1 ATOM 1490 C CG . PHE A 1 190 ? 26.298 7.004 39.770 1.00 37.86 ? 190 PHE A CG 1 ATOM 1491 C CD1 . PHE A 1 190 ? 27.419 6.243 39.435 1.00 37.54 ? 190 PHE A CD1 1 ATOM 1492 C CD2 . PHE A 1 190 ? 26.492 8.307 40.232 1.00 38.07 ? 190 PHE A CD2 1 ATOM 1493 C CE1 . PHE A 1 190 ? 28.700 6.771 39.563 1.00 37.44 ? 190 PHE A CE1 1 ATOM 1494 C CE2 . PHE A 1 190 ? 27.782 8.841 40.346 1.00 39.10 ? 190 PHE A CE2 1 ATOM 1495 C CZ . PHE A 1 190 ? 28.876 8.072 40.009 1.00 37.19 ? 190 PHE A CZ 1 ATOM 1496 N N . GLY A 1 191 ? 22.802 3.836 40.745 1.00 39.84 ? 191 GLY A N 1 ATOM 1497 C CA . GLY A 1 191 ? 21.524 3.179 40.498 1.00 39.57 ? 191 GLY A CA 1 ATOM 1498 C C . GLY A 1 191 ? 21.308 2.780 39.045 1.00 42.78 ? 191 GLY A C 1 ATOM 1499 O O . GLY A 1 191 ? 20.189 2.445 38.660 1.00 43.00 ? 191 GLY A O 1 ATOM 1500 N N . GLY A 1 192 ? 22.358 2.854 38.224 1.00 39.46 ? 192 GLY A N 1 ATOM 1501 C CA . GLY A 1 192 ? 22.286 2.492 36.811 1.00 38.05 ? 192 GLY A CA 1 ATOM 1502 C C . GLY A 1 192 ? 22.453 0.995 36.628 1.00 42.98 ? 192 GLY A C 1 ATOM 1503 O O . GLY A 1 192 ? 23.131 0.349 37.429 1.00 39.80 ? 192 GLY A O 1 ATOM 1504 N N . ASP A 1 193 ? 21.839 0.426 35.581 1.00 40.70 ? 193 ASP A N 1 ATOM 1505 C CA . ASP A 1 193 ? 21.935 -1.000 35.280 1.00 41.43 ? 193 ASP A CA 1 ATOM 1506 C C . ASP A 1 193 ? 23.065 -1.226 34.251 1.00 42.64 ? 193 ASP A C 1 ATOM 1507 O O . ASP A 1 193 ? 22.862 -0.903 33.085 1.00 40.39 ? 193 ASP A O 1 ATOM 1508 C CB . ASP A 1 193 ? 20.592 -1.505 34.705 1.00 43.96 ? 193 ASP A CB 1 ATOM 1509 C CG . ASP A 1 193 ? 20.459 -3.012 34.563 1.00 45.80 ? 193 ASP A CG 1 ATOM 1510 O OD1 . ASP A 1 193 ? 21.476 -3.717 34.712 1.00 44.60 ? 193 ASP A OD1 1 ATOM 1511 O OD2 . ASP A 1 193 ? 19.337 -3.482 34.272 1.00 50.55 ? 193 ASP A OD2 1 ATOM 1512 N N . PRO A 1 194 ? 24.241 -1.807 34.621 1.00 39.21 ? 194 PRO A N 1 ATOM 1513 C CA . PRO A 1 194 ? 25.294 -2.031 33.604 1.00 37.79 ? 194 PRO A CA 1 ATOM 1514 C C . PRO A 1 194 ? 24.893 -3.072 32.533 1.00 43.29 ? 194 PRO A C 1 ATOM 1515 O O . PRO A 1 194 ? 25.525 -3.145 31.484 1.00 40.89 ? 194 PRO A O 1 ATOM 1516 C CB . PRO A 1 194 ? 26.492 -2.490 34.437 1.00 38.85 ? 194 PRO A CB 1 ATOM 1517 C CG . PRO A 1 194 ? 25.861 -3.158 35.660 1.00 44.34 ? 194 PRO A CG 1 ATOM 1518 C CD . PRO A 1 194 ? 24.656 -2.308 35.954 1.00 41.07 ? 194 PRO A CD 1 ATOM 1519 N N . MET A 1 195 ? 23.824 -3.854 32.797 1.00 42.87 ? 195 MET A N 1 ATOM 1520 C CA . MET A 1 195 ? 23.289 -4.857 31.875 1.00 44.12 ? 195 MET A CA 1 ATOM 1521 C C . MET A 1 195 ? 22.238 -4.282 30.910 1.00 45.42 ? 195 MET A C 1 ATOM 1522 O O . MET A 1 195 ? 21.685 -5.017 30.090 1.00 45.87 ? 195 MET A O 1 ATOM 1523 C CB . MET A 1 195 ? 22.739 -6.058 32.645 1.00 48.44 ? 195 MET A CB 1 ATOM 1524 C CG . MET A 1 195 ? 23.821 -6.902 33.247 1.00 54.10 ? 195 MET A CG 1 ATOM 1525 S SD . MET A 1 195 ? 23.131 -8.358 34.026 1.00 61.94 ? 195 MET A SD 1 ATOM 1526 C CE . MET A 1 195 ? 24.666 -9.137 34.583 1.00 59.08 ? 195 MET A CE 1 ATOM 1527 N N . SER A 1 196 ? 21.996 -2.968 30.974 1.00 40.69 ? 196 SER A N 1 ATOM 1528 C CA . SER A 1 196 ? 21.094 -2.283 30.045 1.00 38.94 ? 196 SER A CA 1 ATOM 1529 C C . SER A 1 196 ? 21.687 -0.912 29.706 1.00 41.59 ? 196 SER A C 1 ATOM 1530 O O . SER A 1 196 ? 21.296 0.114 30.275 1.00 40.38 ? 196 SER A O 1 ATOM 1531 C CB . SER A 1 196 ? 19.686 -2.172 30.615 1.00 42.63 ? 196 SER A CB 1 ATOM 1532 O OG . SER A 1 196 ? 18.859 -1.515 29.666 1.00 48.88 ? 196 SER A OG 1 ATOM 1533 N N . VAL A 1 197 ? 22.665 -0.919 28.787 1.00 37.43 ? 197 VAL A N 1 ATOM 1534 C CA . VAL A 1 197 ? 23.374 0.278 28.354 1.00 35.00 ? 197 VAL A CA 1 ATOM 1535 C C . VAL A 1 197 ? 23.063 0.572 26.879 1.00 39.33 ? 197 VAL A C 1 ATOM 1536 O O . VAL A 1 197 ? 23.308 -0.267 26.020 1.00 39.61 ? 197 VAL A O 1 ATOM 1537 C CB . VAL A 1 197 ? 24.903 0.183 28.631 1.00 35.77 ? 197 VAL A CB 1 ATOM 1538 C CG1 . VAL A 1 197 ? 25.659 1.333 27.978 1.00 33.94 ? 197 VAL A CG1 1 ATOM 1539 C CG2 . VAL A 1 197 ? 25.199 0.121 30.130 1.00 34.63 ? 197 VAL A CG2 1 ATOM 1540 N N . THR A 1 198 ? 22.535 1.766 26.600 1.00 35.86 ? 198 THR A N 1 ATOM 1541 C CA . THR A 1 198 ? 22.248 2.211 25.226 1.00 34.68 ? 198 THR A CA 1 ATOM 1542 C C . THR A 1 198 ? 23.187 3.344 24.859 1.00 35.67 ? 198 THR A C 1 ATOM 1543 O O . THR A 1 198 ? 23.237 4.351 25.569 1.00 33.70 ? 198 THR A O 1 ATOM 1544 C CB . THR A 1 198 ? 20.760 2.637 25.104 1.00 39.80 ? 198 THR A CB 1 ATOM 1545 O OG1 . THR A 1 198 ? 19.975 1.507 25.433 1.00 37.78 ? 198 THR A OG1 1 ATOM 1546 C CG2 . THR A 1 198 ? 20.367 3.107 23.677 1.00 37.40 ? 198 THR A CG2 1 ATOM 1547 N N . LEU A 1 199 ? 23.925 3.197 23.754 1.00 33.78 ? 199 LEU A N 1 ATOM 1548 C CA . LEU A 1 199 ? 24.759 4.298 23.252 1.00 33.56 ? 199 LEU A CA 1 ATOM 1549 C C . LEU A 1 199 ? 23.895 5.142 22.325 1.00 36.18 ? 199 LEU A C 1 ATOM 1550 O O . LEU A 1 199 ? 23.129 4.598 21.552 1.00 36.26 ? 199 LEU A O 1 ATOM 1551 C CB . LEU A 1 199 ? 25.966 3.797 22.411 1.00 33.86 ? 199 LEU A CB 1 ATOM 1552 C CG . LEU A 1 199 ? 26.930 2.785 23.043 1.00 38.09 ? 199 LEU A CG 1 ATOM 1553 C CD1 . LEU A 1 199 ? 28.122 2.535 22.100 1.00 38.17 ? 199 LEU A CD1 1 ATOM 1554 C CD2 . LEU A 1 199 ? 27.420 3.252 24.415 1.00 35.55 ? 199 LEU A CD2 1 ATOM 1555 N N . PHE A 1 200 ? 24.016 6.453 22.388 1.00 31.90 ? 200 PHE A N 1 ATOM 1556 C CA . PHE A 1 200 ? 23.356 7.325 21.416 1.00 30.39 ? 200 PHE A CA 1 ATOM 1557 C C . PHE A 1 200 ? 24.319 8.451 21.092 1.00 34.30 ? 200 PHE A C 1 ATOM 1558 O O . PHE A 1 200 ? 25.123 8.842 21.933 1.00 32.85 ? 200 PHE A O 1 ATOM 1559 C CB . PHE A 1 200 ? 21.921 7.768 21.820 1.00 31.32 ? 200 PHE A CB 1 ATOM 1560 C CG . PHE A 1 200 ? 21.710 8.784 22.916 1.00 32.31 ? 200 PHE A CG 1 ATOM 1561 C CD1 . PHE A 1 200 ? 22.296 8.616 24.170 1.00 32.37 ? 200 PHE A CD1 1 ATOM 1562 C CD2 . PHE A 1 200 ? 20.815 9.841 22.743 1.00 34.42 ? 200 PHE A CD2 1 ATOM 1563 C CE1 . PHE A 1 200 ? 22.066 9.537 25.198 1.00 31.78 ? 200 PHE A CE1 1 ATOM 1564 C CE2 . PHE A 1 200 ? 20.581 10.756 23.777 1.00 35.24 ? 200 PHE A CE2 1 ATOM 1565 C CZ . PHE A 1 200 ? 21.199 10.586 25.002 1.00 31.77 ? 200 PHE A CZ 1 ATOM 1566 N N . GLY A 1 201 ? 24.333 8.861 19.839 1.00 31.38 ? 201 GLY A N 1 ATOM 1567 C CA . GLY A 1 201 ? 25.223 9.914 19.393 1.00 30.49 ? 201 GLY A CA 1 ATOM 1568 C C . GLY A 1 201 ? 24.697 10.555 18.135 1.00 33.08 ? 201 GLY A C 1 ATOM 1569 O O . GLY A 1 201 ? 23.835 9.990 17.454 1.00 31.21 ? 201 GLY A O 1 ATOM 1570 N N . GLU A 1 202 ? 25.205 11.744 17.827 1.00 29.13 ? 202 GLU A N 1 ATOM 1571 C CA . GLU A 1 202 ? 24.780 12.423 16.635 1.00 29.12 ? 202 GLU A CA 1 ATOM 1572 C C . GLU A 1 202 ? 26.000 12.805 15.814 1.00 33.76 ? 202 GLU A C 1 ATOM 1573 O O . GLU A 1 202 ? 27.046 13.167 16.366 1.00 31.36 ? 202 GLU A O 1 ATOM 1574 C CB . GLU A 1 202 ? 23.837 13.599 16.966 1.00 30.49 ? 202 GLU A CB 1 ATOM 1575 C CG . GLU A 1 202 ? 23.270 14.351 15.756 1.00 32.33 ? 202 GLU A CG 1 ATOM 1576 C CD . GLU A 1 202 ? 24.162 15.471 15.241 1.00 44.31 ? 202 GLU A CD 1 ATOM 1577 O OE1 . GLU A 1 202 ? 25.167 15.781 15.914 1.00 35.29 ? 202 GLU A OE1 1 ATOM 1578 O OE2 . GLU A 1 202 ? 23.866 16.039 14.167 1.00 35.98 ? 202 GLU A OE2 1 ATOM 1579 N N . SER A 1 203 ? 25.876 12.643 14.487 1.00 32.04 ? 203 SER A N 1 ATOM 1580 C CA . SER A 1 203 ? 26.899 12.972 13.497 1.00 31.21 ? 203 SER A CA 1 ATOM 1581 C C . SER A 1 203 ? 28.203 12.187 13.730 1.00 33.82 ? 203 SER A C 1 ATOM 1582 O O . SER A 1 203 ? 28.125 10.962 13.709 1.00 34.63 ? 203 SER A O 1 ATOM 1583 C CB . SER A 1 203 ? 27.092 14.478 13.446 1.00 34.99 ? 203 SER A CB 1 ATOM 1584 O OG . SER A 1 203 ? 27.772 14.769 12.245 1.00 51.90 ? 203 SER A OG 1 ATOM 1585 N N . ALA A 1 204 ? 29.367 12.837 14.033 1.00 29.73 ? 204 ALA A N 1 ATOM 1586 C CA . ALA A 1 204 ? 30.609 12.094 14.351 1.00 29.34 ? 204 ALA A CA 1 ATOM 1587 C C . ALA A 1 204 ? 30.413 11.205 15.623 1.00 33.25 ? 204 ALA A C 1 ATOM 1588 O O . ALA A 1 204 ? 31.029 10.138 15.744 1.00 34.31 ? 204 ALA A O 1 ATOM 1589 C CB . ALA A 1 204 ? 31.776 13.048 14.547 1.00 29.62 ? 204 ALA A CB 1 ATOM 1590 N N . GLY A 1 205 ? 29.478 11.592 16.483 1.00 30.37 ? 205 GLY A N 1 ATOM 1591 C CA . GLY A 1 205 ? 29.092 10.799 17.659 1.00 29.59 ? 205 GLY A CA 1 ATOM 1592 C C . GLY A 1 205 ? 28.350 9.546 17.249 1.00 32.50 ? 205 GLY A C 1 ATOM 1593 O O . GLY A 1 205 ? 28.558 8.489 17.833 1.00 34.07 ? 205 GLY A O 1 ATOM 1594 N N . ALA A 1 206 ? 27.532 9.630 16.197 1.00 30.62 ? 206 ALA A N 1 ATOM 1595 C CA . ALA A 1 206 ? 26.789 8.487 15.637 1.00 29.53 ? 206 ALA A CA 1 ATOM 1596 C C . ALA A 1 206 ? 27.765 7.589 14.885 1.00 34.44 ? 206 ALA A C 1 ATOM 1597 O O . ALA A 1 206 ? 27.682 6.357 15.001 1.00 34.54 ? 206 ALA A O 1 ATOM 1598 C CB . ALA A 1 206 ? 25.688 8.986 14.704 1.00 30.05 ? 206 ALA A CB 1 ATOM 1599 N N . ALA A 1 207 ? 28.740 8.194 14.155 1.00 31.20 ? 207 ALA A N 1 ATOM 1600 C CA . ALA A 1 207 ? 29.788 7.433 13.462 1.00 31.89 ? 207 ALA A CA 1 ATOM 1601 C C . ALA A 1 207 ? 30.612 6.653 14.507 1.00 35.69 ? 207 ALA A C 1 ATOM 1602 O O . ALA A 1 207 ? 30.913 5.485 14.286 1.00 38.07 ? 207 ALA A O 1 ATOM 1603 C CB . ALA A 1 207 ? 30.692 8.384 12.670 1.00 32.46 ? 207 ALA A CB 1 ATOM 1604 N N . SER A 1 208 ? 30.911 7.288 15.676 1.00 31.20 ? 208 SER A N 1 ATOM 1605 C CA . SER A 1 208 ? 31.613 6.671 16.822 1.00 30.96 ? 208 SER A CA 1 ATOM 1606 C C . SER A 1 208 ? 30.816 5.483 17.356 1.00 34.64 ? 208 SER A C 1 ATOM 1607 O O . SER A 1 208 ? 31.399 4.418 17.534 1.00 33.85 ? 208 SER A O 1 ATOM 1608 C CB . SER A 1 208 ? 31.832 7.685 17.950 1.00 32.14 ? 208 SER A CB 1 ATOM 1609 O OG . SER A 1 208 ? 32.694 8.742 17.556 1.00 32.78 ? 208 SER A OG 1 ATOM 1610 N N . VAL A 1 209 ? 29.485 5.660 17.594 1.00 31.63 ? 209 VAL A N 1 ATOM 1611 C CA . VAL A 1 209 ? 28.574 4.580 18.050 1.00 32.38 ? 209 VAL A CA 1 ATOM 1612 C C . VAL A 1 209 ? 28.695 3.371 17.082 1.00 37.22 ? 209 VAL A C 1 ATOM 1613 O O . VAL A 1 209 ? 28.871 2.234 17.537 1.00 37.52 ? 209 VAL A O 1 ATOM 1614 C CB . VAL A 1 209 ? 27.098 5.075 18.202 1.00 34.64 ? 209 VAL A CB 1 ATOM 1615 C CG1 . VAL A 1 209 ? 26.125 3.901 18.383 1.00 34.10 ? 209 VAL A CG1 1 ATOM 1616 C CG2 . VAL A 1 209 ? 26.956 6.063 19.355 1.00 33.59 ? 209 VAL A CG2 1 ATOM 1617 N N . GLY A 1 210 ? 28.635 3.646 15.771 1.00 35.18 ? 210 GLY A N 1 ATOM 1618 C CA . GLY A 1 210 ? 28.795 2.635 14.721 1.00 34.41 ? 210 GLY A CA 1 ATOM 1619 C C . GLY A 1 210 ? 30.127 1.911 14.794 1.00 37.44 ? 210 GLY A C 1 ATOM 1620 O O . GLY A 1 210 ? 30.200 0.703 14.569 1.00 37.46 ? 210 GLY A O 1 ATOM 1621 N N . MET A 1 211 ? 31.190 2.628 15.137 1.00 34.36 ? 211 MET A N 1 ATOM 1622 C CA . MET A 1 211 ? 32.496 2.005 15.269 1.00 35.49 ? 211 MET A CA 1 ATOM 1623 C C . MET A 1 211 ? 32.604 1.115 16.505 1.00 37.27 ? 211 MET A C 1 ATOM 1624 O O . MET A 1 211 ? 33.272 0.091 16.431 1.00 37.22 ? 211 MET A O 1 ATOM 1625 C CB . MET A 1 211 ? 33.596 3.036 15.167 1.00 38.45 ? 211 MET A CB 1 ATOM 1626 C CG . MET A 1 211 ? 33.854 3.324 13.648 1.00 43.83 ? 211 MET A CG 1 ATOM 1627 S SD . MET A 1 211 ? 34.727 4.812 13.588 1.00 49.14 ? 211 MET A SD 1 ATOM 1628 C CE . MET A 1 211 ? 33.950 5.602 12.155 1.00 45.10 ? 211 MET A CE 1 ATOM 1629 N N . HIS A 1 212 ? 31.851 1.416 17.573 1.00 33.56 ? 212 HIS A N 1 ATOM 1630 C CA . HIS A 1 212 ? 31.781 0.539 18.740 1.00 33.55 ? 212 HIS A CA 1 ATOM 1631 C C . HIS A 1 212 ? 30.995 -0.718 18.383 1.00 39.03 ? 212 HIS A C 1 ATOM 1632 O O . HIS A 1 212 ? 31.388 -1.803 18.809 1.00 38.12 ? 212 HIS A O 1 ATOM 1633 C CB . HIS A 1 212 ? 31.196 1.260 19.958 1.00 33.62 ? 212 HIS A CB 1 ATOM 1634 C CG . HIS A 1 212 ? 32.101 2.331 20.481 1.00 36.41 ? 212 HIS A CG 1 ATOM 1635 N ND1 . HIS A 1 212 ? 33.347 2.034 20.996 1.00 38.20 ? 212 HIS A ND1 1 ATOM 1636 C CD2 . HIS A 1 212 ? 31.925 3.671 20.513 1.00 36.71 ? 212 HIS A CD2 1 ATOM 1637 C CE1 . HIS A 1 212 ? 33.885 3.193 21.333 1.00 36.30 ? 212 HIS A CE1 1 ATOM 1638 N NE2 . HIS A 1 212 ? 33.067 4.205 21.052 1.00 36.28 ? 212 HIS A NE2 1 ATOM 1639 N N . ILE A 1 213 ? 29.962 -0.598 17.508 1.00 38.04 ? 213 ILE A N 1 ATOM 1640 C CA . ILE A 1 213 ? 29.200 -1.766 17.014 1.00 38.80 ? 213 ILE A CA 1 ATOM 1641 C C . ILE A 1 213 ? 30.140 -2.694 16.220 1.00 43.91 ? 213 ILE A C 1 ATOM 1642 O O . ILE A 1 213 ? 30.008 -3.908 16.289 1.00 45.54 ? 213 ILE A O 1 ATOM 1643 C CB . ILE A 1 213 ? 27.981 -1.329 16.146 1.00 40.82 ? 213 ILE A CB 1 ATOM 1644 C CG1 . ILE A 1 213 ? 26.884 -0.647 17.011 1.00 38.43 ? 213 ILE A CG1 1 ATOM 1645 C CG2 . ILE A 1 213 ? 27.406 -2.517 15.283 1.00 43.33 ? 213 ILE A CG2 1 ATOM 1646 C CD1 . ILE A 1 213 ? 25.814 0.110 16.227 1.00 38.67 ? 213 ILE A CD1 1 ATOM 1647 N N . LEU A 1 214 ? 31.083 -2.108 15.479 1.00 40.60 ? 214 LEU A N 1 ATOM 1648 C CA . LEU A 1 214 ? 31.999 -2.822 14.585 1.00 40.22 ? 214 LEU A CA 1 ATOM 1649 C C . LEU A 1 214 ? 33.308 -3.251 15.215 1.00 44.22 ? 214 LEU A C 1 ATOM 1650 O O . LEU A 1 214 ? 34.074 -3.971 14.562 1.00 44.19 ? 214 LEU A O 1 ATOM 1651 C CB . LEU A 1 214 ? 32.261 -1.977 13.309 1.00 38.97 ? 214 LEU A CB 1 ATOM 1652 C CG . LEU A 1 214 ? 31.020 -1.615 12.473 1.00 41.93 ? 214 LEU A CG 1 ATOM 1653 C CD1 . LEU A 1 214 ? 31.397 -0.757 11.297 1.00 39.74 ? 214 LEU A CD1 1 ATOM 1654 C CD2 . LEU A 1 214 ? 30.224 -2.858 12.030 1.00 43.98 ? 214 LEU A CD2 1 ATOM 1655 N N . SER A 1 215 ? 33.587 -2.809 16.456 1.00 40.57 ? 215 SER A N 1 ATOM 1656 C CA . SER A 1 215 ? 34.822 -3.178 17.150 1.00 41.15 ? 215 SER A CA 1 ATOM 1657 C C . SER A 1 215 ? 34.486 -4.086 18.313 1.00 48.38 ? 215 SER A C 1 ATOM 1658 O O . SER A 1 215 ? 33.858 -3.669 19.279 1.00 47.23 ? 215 SER A O 1 ATOM 1659 C CB . SER A 1 215 ? 35.580 -1.945 17.630 1.00 40.90 ? 215 SER A CB 1 ATOM 1660 O OG . SER A 1 215 ? 36.905 -2.297 18.000 1.00 44.36 ? 215 SER A OG 1 ATOM 1661 N N . LEU A 1 216 ? 34.871 -5.341 18.187 1.00 49.34 ? 216 LEU A N 1 ATOM 1662 C CA . LEU A 1 216 ? 34.613 -6.425 19.136 1.00 51.08 ? 216 LEU A CA 1 ATOM 1663 C C . LEU A 1 216 ? 34.871 -6.078 20.602 1.00 50.33 ? 216 LEU A C 1 ATOM 1664 O O . LEU A 1 216 ? 33.949 -6.277 21.389 1.00 49.04 ? 216 LEU A O 1 ATOM 1665 C CB . LEU A 1 216 ? 35.375 -7.687 18.751 1.00 54.23 ? 216 LEU A CB 1 ATOM 1666 C CG . LEU A 1 216 ? 34.530 -8.795 18.227 1.00 63.56 ? 216 LEU A CG 1 ATOM 1667 C CD1 . LEU A 1 216 ? 35.106 -9.286 16.941 1.00 65.81 ? 216 LEU A CD1 1 ATOM 1668 C CD2 . LEU A 1 216 ? 34.394 -9.924 19.253 1.00 68.59 ? 216 LEU A CD2 1 ATOM 1669 N N . PRO A 1 217 ? 36.027 -5.488 21.026 1.00 44.67 ? 217 PRO A N 1 ATOM 1670 C CA . PRO A 1 217 ? 36.184 -5.166 22.466 1.00 42.86 ? 217 PRO A CA 1 ATOM 1671 C C . PRO A 1 217 ? 35.144 -4.193 23.023 1.00 46.53 ? 217 PRO A C 1 ATOM 1672 O O . PRO A 1 217 ? 34.940 -4.175 24.227 1.00 46.59 ? 217 PRO A O 1 ATOM 1673 C CB . PRO A 1 217 ? 37.614 -4.624 22.563 1.00 43.67 ? 217 PRO A CB 1 ATOM 1674 C CG . PRO A 1 217 ? 38.322 -5.196 21.352 1.00 48.63 ? 217 PRO A CG 1 ATOM 1675 C CD . PRO A 1 217 ? 37.267 -5.163 20.281 1.00 44.28 ? 217 PRO A CD 1 ATOM 1676 N N . SER A 1 218 ? 34.462 -3.399 22.163 1.00 42.39 ? 218 SER A N 1 ATOM 1677 C CA . SER A 1 218 ? 33.416 -2.482 22.652 1.00 40.81 ? 218 SER A CA 1 ATOM 1678 C C . SER A 1 218 ? 32.063 -3.160 22.815 1.00 45.33 ? 218 SER A C 1 ATOM 1679 O O . SER A 1 218 ? 31.250 -2.697 23.621 1.00 41.92 ? 218 SER A O 1 ATOM 1680 C CB . SER A 1 218 ? 33.239 -1.318 21.692 1.00 40.94 ? 218 SER A CB 1 ATOM 1681 O OG . SER A 1 218 ? 34.355 -0.445 21.710 1.00 44.15 ? 218 SER A OG 1 ATOM 1682 N N . ARG A 1 219 ? 31.812 -4.241 22.029 1.00 45.20 ? 219 ARG A N 1 ATOM 1683 C CA A ARG A 1 219 ? 30.541 -4.967 22.011 0.50 45.61 ? 219 ARG A CA 1 ATOM 1684 C CA B ARG A 1 219 ? 30.507 -4.917 22.017 0.50 46.04 ? 219 ARG A CA 1 ATOM 1685 C C . ARG A 1 219 ? 30.045 -5.428 23.370 1.00 49.88 ? 219 ARG A C 1 ATOM 1686 O O . ARG A 1 219 ? 28.839 -5.383 23.611 1.00 50.13 ? 219 ARG A O 1 ATOM 1687 C CB A ARG A 1 219 ? 30.596 -6.142 21.028 0.50 45.17 ? 219 ARG A CB 1 ATOM 1688 C CB B ARG A 1 219 ? 30.400 -6.033 20.960 0.50 47.74 ? 219 ARG A CB 1 ATOM 1689 C CG A ARG A 1 219 ? 30.617 -5.682 19.563 0.50 45.53 ? 219 ARG A CG 1 ATOM 1690 C CG B ARG A 1 219 ? 29.821 -5.579 19.598 0.50 55.12 ? 219 ARG A CG 1 ATOM 1691 C CD A ARG A 1 219 ? 29.403 -4.830 19.196 0.50 44.75 ? 219 ARG A CD 1 ATOM 1692 C CD B ARG A 1 219 ? 28.537 -4.735 19.655 0.50 58.35 ? 219 ARG A CD 1 ATOM 1693 N NE A ARG A 1 219 ? 28.160 -5.603 19.188 0.50 43.73 ? 219 ARG A NE 1 ATOM 1694 N NE B ARG A 1 219 ? 27.286 -5.506 19.645 0.50 59.04 ? 219 ARG A NE 1 ATOM 1695 C CZ A ARG A 1 219 ? 27.682 -6.249 18.133 0.50 51.48 ? 219 ARG A CZ 1 ATOM 1696 C CZ B ARG A 1 219 ? 26.460 -5.630 20.686 0.50 64.79 ? 219 ARG A CZ 1 ATOM 1697 N NH1 A ARG A 1 219 ? 28.323 -6.205 16.974 0.50 34.61 ? 219 ARG A NH1 1 ATOM 1698 N NH1 B ARG A 1 219 ? 26.759 -5.075 21.852 0.50 28.98 ? 219 ARG A NH1 1 ATOM 1699 N NH2 A ARG A 1 219 ? 26.554 -6.938 18.226 0.50 44.57 ? 219 ARG A NH2 1 ATOM 1700 N NH2 B ARG A 1 219 ? 25.342 -6.336 20.574 0.50 58.45 ? 219 ARG A NH2 1 ATOM 1701 N N . SER A 1 220 ? 30.960 -5.861 24.262 1.00 46.66 ? 220 SER A N 1 ATOM 1702 C CA . SER A 1 220 ? 30.562 -6.322 25.602 1.00 47.06 ? 220 SER A CA 1 ATOM 1703 C C . SER A 1 220 ? 30.186 -5.153 26.537 1.00 48.08 ? 220 SER A C 1 ATOM 1704 O O . SER A 1 220 ? 29.772 -5.386 27.669 1.00 48.73 ? 220 SER A O 1 ATOM 1705 C CB . SER A 1 220 ? 31.683 -7.152 26.231 1.00 53.46 ? 220 SER A CB 1 ATOM 1706 O OG . SER A 1 220 ? 32.904 -6.434 26.315 1.00 64.46 ? 220 SER A OG 1 ATOM 1707 N N . LEU A 1 221 ? 30.313 -3.893 26.066 1.00 41.72 ? 221 LEU A N 1 ATOM 1708 C CA . LEU A 1 221 ? 30.095 -2.718 26.912 1.00 39.22 ? 221 LEU A CA 1 ATOM 1709 C C . LEU A 1 221 ? 28.742 -2.022 26.718 1.00 40.71 ? 221 LEU A C 1 ATOM 1710 O O . LEU A 1 221 ? 28.471 -1.022 27.376 1.00 39.03 ? 221 LEU A O 1 ATOM 1711 C CB . LEU A 1 221 ? 31.258 -1.723 26.723 1.00 38.64 ? 221 LEU A CB 1 ATOM 1712 C CG . LEU A 1 221 ? 32.695 -2.289 26.867 1.00 42.95 ? 221 LEU A CG 1 ATOM 1713 C CD1 . LEU A 1 221 ? 33.725 -1.263 26.483 1.00 42.07 ? 221 LEU A CD1 1 ATOM 1714 C CD2 . LEU A 1 221 ? 32.967 -2.838 28.280 1.00 43.20 ? 221 LEU A CD2 1 ATOM 1715 N N . PHE A 1 222 ? 27.886 -2.549 25.836 1.00 37.08 ? 222 PHE A N 1 ATOM 1716 C CA . PHE A 1 222 ? 26.577 -1.936 25.563 1.00 35.95 ? 222 PHE A CA 1 ATOM 1717 C C . PHE A 1 222 ? 25.689 -2.961 24.898 1.00 41.00 ? 222 PHE A C 1 ATOM 1718 O O . PHE A 1 222 ? 26.182 -3.959 24.378 1.00 40.09 ? 222 PHE A O 1 ATOM 1719 C CB . PHE A 1 222 ? 26.708 -0.647 24.692 1.00 35.40 ? 222 PHE A CB 1 ATOM 1720 C CG . PHE A 1 222 ? 27.151 -0.890 23.270 1.00 36.47 ? 222 PHE A CG 1 ATOM 1721 C CD1 . PHE A 1 222 ? 28.503 -1.068 22.963 1.00 37.96 ? 222 PHE A CD1 1 ATOM 1722 C CD2 . PHE A 1 222 ? 26.228 -0.894 22.228 1.00 38.50 ? 222 PHE A CD2 1 ATOM 1723 C CE1 . PHE A 1 222 ? 28.915 -1.289 21.648 1.00 38.46 ? 222 PHE A CE1 1 ATOM 1724 C CE2 . PHE A 1 222 ? 26.646 -1.109 20.908 1.00 40.77 ? 222 PHE A CE2 1 ATOM 1725 C CZ . PHE A 1 222 ? 27.990 -1.283 20.628 1.00 37.99 ? 222 PHE A CZ 1 ATOM 1726 N N . HIS A 1 223 ? 24.378 -2.712 24.910 1.00 38.93 ? 223 HIS A N 1 ATOM 1727 C CA . HIS A 1 223 ? 23.398 -3.676 24.422 1.00 40.03 ? 223 HIS A CA 1 ATOM 1728 C C . HIS A 1 223 ? 22.578 -3.172 23.234 1.00 45.19 ? 223 HIS A C 1 ATOM 1729 O O . HIS A 1 223 ? 22.053 -3.976 22.463 1.00 46.49 ? 223 HIS A O 1 ATOM 1730 C CB . HIS A 1 223 ? 22.496 -4.045 25.614 1.00 40.98 ? 223 HIS A CB 1 ATOM 1731 C CG . HIS A 1 223 ? 23.306 -4.369 26.837 1.00 44.91 ? 223 HIS A CG 1 ATOM 1732 N ND1 . HIS A 1 223 ? 23.807 -3.365 27.663 1.00 45.92 ? 223 HIS A ND1 1 ATOM 1733 C CD2 . HIS A 1 223 ? 23.813 -5.557 27.251 1.00 46.38 ? 223 HIS A CD2 1 ATOM 1734 C CE1 . HIS A 1 223 ? 24.572 -3.977 28.548 1.00 44.99 ? 223 HIS A CE1 1 ATOM 1735 N NE2 . HIS A 1 223 ? 24.621 -5.289 28.327 1.00 45.99 ? 223 HIS A NE2 1 ATOM 1736 N N . ARG A 1 224 ? 22.437 -1.848 23.117 1.00 41.40 ? 224 ARG A N 1 ATOM 1737 C CA . ARG A 1 224 ? 21.595 -1.190 22.099 1.00 41.54 ? 224 ARG A CA 1 ATOM 1738 C C . ARG A 1 224 ? 22.276 0.086 21.635 1.00 41.07 ? 224 ARG A C 1 ATOM 1739 O O . ARG A 1 224 ? 23.128 0.609 22.359 1.00 39.50 ? 224 ARG A O 1 ATOM 1740 C CB . ARG A 1 224 ? 20.215 -0.846 22.718 1.00 43.62 ? 224 ARG A CB 1 ATOM 1741 C CG . ARG A 1 224 ? 19.265 -2.010 22.707 1.00 55.43 ? 224 ARG A CG 1 ATOM 1742 C CD . ARG A 1 224 ? 18.014 -1.782 23.533 1.00 54.20 ? 224 ARG A CD 1 ATOM 1743 N NE . ARG A 1 224 ? 18.292 -1.676 24.959 1.00 64.62 ? 224 ARG A NE 1 ATOM 1744 C CZ . ARG A 1 224 ? 18.570 -2.696 25.762 1.00 74.61 ? 224 ARG A CZ 1 ATOM 1745 N NH1 . ARG A 1 224 ? 18.621 -3.933 25.285 1.00 61.67 ? 224 ARG A NH1 1 ATOM 1746 N NH2 . ARG A 1 224 ? 18.826 -2.484 27.043 1.00 66.05 ? 224 ARG A NH2 1 ATOM 1747 N N . ALA A 1 225 ? 21.917 0.582 20.439 1.00 36.67 ? 225 ALA A N 1 ATOM 1748 C CA . ALA A 1 225 ? 22.556 1.758 19.859 1.00 35.35 ? 225 ALA A CA 1 ATOM 1749 C C . ALA A 1 225 ? 21.610 2.681 19.078 1.00 38.72 ? 225 ALA A C 1 ATOM 1750 O O . ALA A 1 225 ? 20.705 2.213 18.399 1.00 38.05 ? 225 ALA A O 1 ATOM 1751 C CB . ALA A 1 225 ? 23.693 1.315 18.954 1.00 36.15 ? 225 ALA A CB 1 ATOM 1752 N N . VAL A 1 226 ? 21.846 3.999 19.176 1.00 35.60 ? 226 VAL A N 1 ATOM 1753 C CA . VAL A 1 226 ? 21.111 5.025 18.446 1.00 34.46 ? 226 VAL A CA 1 ATOM 1754 C C . VAL A 1 226 ? 22.131 5.802 17.619 1.00 36.97 ? 226 VAL A C 1 ATOM 1755 O O . VAL A 1 226 ? 23.086 6.321 18.185 1.00 34.44 ? 226 VAL A O 1 ATOM 1756 C CB . VAL A 1 226 ? 20.273 5.969 19.342 1.00 36.87 ? 226 VAL A CB 1 ATOM 1757 C CG1 . VAL A 1 226 ? 19.409 6.906 18.478 1.00 36.21 ? 226 VAL A CG1 1 ATOM 1758 C CG2 . VAL A 1 226 ? 19.407 5.176 20.325 1.00 36.82 ? 226 VAL A CG2 1 ATOM 1759 N N . LEU A 1 227 ? 21.952 5.845 16.288 1.00 34.38 ? 227 LEU A N 1 ATOM 1760 C CA . LEU A 1 227 ? 22.849 6.583 15.392 1.00 33.20 ? 227 LEU A CA 1 ATOM 1761 C C . LEU A 1 227 ? 22.049 7.715 14.748 1.00 36.38 ? 227 LEU A C 1 ATOM 1762 O O . LEU A 1 227 ? 21.219 7.469 13.876 1.00 36.84 ? 227 LEU A O 1 ATOM 1763 C CB . LEU A 1 227 ? 23.450 5.654 14.317 1.00 34.09 ? 227 LEU A CB 1 ATOM 1764 C CG . LEU A 1 227 ? 24.522 4.657 14.813 1.00 38.30 ? 227 LEU A CG 1 ATOM 1765 C CD1 . LEU A 1 227 ? 23.880 3.365 15.322 1.00 38.22 ? 227 LEU A CD1 1 ATOM 1766 C CD2 . LEU A 1 227 ? 25.495 4.320 13.687 1.00 38.84 ? 227 LEU A CD2 1 ATOM 1767 N N . GLN A 1 228 ? 22.256 8.950 15.220 1.00 32.13 ? 228 GLN A N 1 ATOM 1768 C CA . GLN A 1 228 ? 21.539 10.102 14.698 1.00 30.92 ? 228 GLN A CA 1 ATOM 1769 C C . GLN A 1 228 ? 22.395 10.820 13.689 1.00 34.66 ? 228 GLN A C 1 ATOM 1770 O O . GLN A 1 228 ? 23.432 11.355 14.058 1.00 33.97 ? 228 GLN A O 1 ATOM 1771 C CB . GLN A 1 228 ? 21.142 11.071 15.816 1.00 31.91 ? 228 GLN A CB 1 ATOM 1772 C CG . GLN A 1 228 ? 20.325 10.419 16.942 1.00 32.29 ? 228 GLN A CG 1 ATOM 1773 C CD . GLN A 1 228 ? 20.114 11.302 18.139 1.00 39.02 ? 228 GLN A CD 1 ATOM 1774 O OE1 . GLN A 1 228 ? 19.904 10.803 19.236 1.00 39.11 ? 228 GLN A OE1 1 ATOM 1775 N NE2 . GLN A 1 228 ? 20.086 12.623 17.961 1.00 30.85 ? 228 GLN A NE2 1 ATOM 1776 N N . SER A 1 229 ? 21.955 10.859 12.412 1.00 32.38 ? 229 SER A N 1 ATOM 1777 C CA . SER A 1 229 ? 22.635 11.599 11.331 1.00 31.98 ? 229 SER A CA 1 ATOM 1778 C C . SER A 1 229 ? 24.136 11.288 11.178 1.00 35.44 ? 229 SER A C 1 ATOM 1779 O O . SER A 1 229 ? 24.928 12.186 10.965 1.00 34.40 ? 229 SER A O 1 ATOM 1780 C CB . SER A 1 229 ? 22.448 13.112 11.520 1.00 32.26 ? 229 SER A CB 1 ATOM 1781 O OG . SER A 1 229 ? 21.086 13.457 11.724 1.00 36.46 ? 229 SER A OG 1 ATOM 1782 N N . GLY A 1 230 ? 24.519 10.032 11.291 1.00 33.89 ? 230 GLY A N 1 ATOM 1783 C CA . GLY A 1 230 ? 25.924 9.673 11.160 1.00 33.30 ? 230 GLY A CA 1 ATOM 1784 C C . GLY A 1 230 ? 26.080 8.186 11.152 1.00 36.15 ? 230 GLY A C 1 ATOM 1785 O O . GLY A 1 230 ? 25.227 7.475 11.691 1.00 35.92 ? 230 GLY A O 1 ATOM 1786 N N . THR A 1 231 ? 27.152 7.709 10.500 1.00 32.08 ? 231 THR A N 1 ATOM 1787 C CA . THR A 1 231 ? 27.400 6.286 10.321 1.00 33.20 ? 231 THR A CA 1 ATOM 1788 C C . THR A 1 231 ? 28.891 6.017 10.278 1.00 37.14 ? 231 THR A C 1 ATOM 1789 O O . THR A 1 231 ? 29.631 6.908 9.869 1.00 36.86 ? 231 THR A O 1 ATOM 1790 C CB . THR A 1 231 ? 26.803 5.802 8.946 1.00 39.68 ? 231 THR A CB 1 ATOM 1791 O OG1 . THR A 1 231 ? 27.348 6.562 7.882 1.00 38.06 ? 231 THR A OG1 1 ATOM 1792 C CG2 . THR A 1 231 ? 25.308 5.861 8.879 1.00 34.76 ? 231 THR A CG2 1 ATOM 1793 N N . PRO A 1 232 ? 29.352 4.782 10.605 1.00 34.79 ? 232 PRO A N 1 ATOM 1794 C CA . PRO A 1 232 ? 30.802 4.490 10.487 1.00 34.64 ? 232 PRO A CA 1 ATOM 1795 C C . PRO A 1 232 ? 31.241 4.373 9.011 1.00 39.12 ? 232 PRO A C 1 ATOM 1796 O O . PRO A 1 232 ? 32.361 4.739 8.666 1.00 37.72 ? 232 PRO A O 1 ATOM 1797 C CB . PRO A 1 232 ? 30.961 3.172 11.254 1.00 35.64 ? 232 PRO A CB 1 ATOM 1798 C CG . PRO A 1 232 ? 29.628 2.499 11.134 1.00 39.53 ? 232 PRO A CG 1 ATOM 1799 C CD . PRO A 1 232 ? 28.601 3.612 11.121 1.00 35.38 ? 232 PRO A CD 1 ATOM 1800 N N . ASN A 1 233 ? 30.350 3.836 8.153 1.00 36.84 ? 233 ASN A N 1 ATOM 1801 C CA . ASN A 1 233 ? 30.527 3.730 6.703 1.00 37.81 ? 233 ASN A CA 1 ATOM 1802 C C . ASN A 1 233 ? 30.305 5.145 6.142 1.00 40.71 ? 233 ASN A C 1 ATOM 1803 O O . ASN A 1 233 ? 29.865 6.045 6.862 1.00 40.08 ? 233 ASN A O 1 ATOM 1804 C CB . ASN A 1 233 ? 29.497 2.734 6.103 1.00 38.10 ? 233 ASN A CB 1 ATOM 1805 C CG . ASN A 1 233 ? 28.064 3.024 6.505 1.00 43.48 ? 233 ASN A CG 1 ATOM 1806 O OD1 . ASN A 1 233 ? 27.711 2.961 7.677 1.00 38.29 ? 233 ASN A OD1 1 ATOM 1807 N ND2 . ASN A 1 233 ? 27.201 3.362 5.554 1.00 34.52 ? 233 ASN A ND2 1 ATOM 1808 N N . GLY A 1 234 ? 30.585 5.342 4.871 1.00 38.74 ? 234 GLY A N 1 ATOM 1809 C CA . GLY A 1 234 ? 30.421 6.660 4.279 1.00 37.24 ? 234 GLY A CA 1 ATOM 1810 C C . GLY A 1 234 ? 31.748 7.319 3.970 1.00 40.31 ? 234 GLY A C 1 ATOM 1811 O O . GLY A 1 234 ? 32.807 6.778 4.304 1.00 39.48 ? 234 GLY A O 1 ATOM 1812 N N . PRO A 1 235 ? 31.712 8.521 3.368 1.00 37.14 ? 235 PRO A N 1 ATOM 1813 C CA . PRO A 1 235 ? 32.958 9.113 2.831 1.00 36.18 ? 235 PRO A CA 1 ATOM 1814 C C . PRO A 1 235 ? 33.827 9.975 3.766 1.00 37.49 ? 235 PRO A C 1 ATOM 1815 O O . PRO A 1 235 ? 34.930 10.355 3.372 1.00 36.20 ? 235 PRO A O 1 ATOM 1816 C CB . PRO A 1 235 ? 32.429 9.963 1.667 1.00 37.42 ? 235 PRO A CB 1 ATOM 1817 C CG . PRO A 1 235 ? 31.081 10.437 2.158 1.00 39.54 ? 235 PRO A CG 1 ATOM 1818 C CD . PRO A 1 235 ? 30.515 9.255 2.894 1.00 36.71 ? 235 PRO A CD 1 ATOM 1819 N N . TRP A 1 236 ? 33.346 10.300 4.962 1.00 32.89 ? 236 TRP A N 1 ATOM 1820 C CA . TRP A 1 236 ? 34.073 11.199 5.875 1.00 32.83 ? 236 TRP A CA 1 ATOM 1821 C C . TRP A 1 236 ? 34.521 10.609 7.221 1.00 35.14 ? 236 TRP A C 1 ATOM 1822 O O . TRP A 1 236 ? 35.411 11.189 7.855 1.00 32.52 ? 236 TRP A O 1 ATOM 1823 C CB . TRP A 1 236 ? 33.206 12.455 6.160 1.00 31.37 ? 236 TRP A CB 1 ATOM 1824 C CG . TRP A 1 236 ? 31.837 12.134 6.714 1.00 31.90 ? 236 TRP A CG 1 ATOM 1825 C CD1 . TRP A 1 236 ? 30.695 11.905 5.993 1.00 34.65 ? 236 TRP A CD1 1 ATOM 1826 C CD2 . TRP A 1 236 ? 31.477 11.961 8.110 1.00 30.87 ? 236 TRP A CD2 1 ATOM 1827 N NE1 . TRP A 1 236 ? 29.645 11.623 6.844 1.00 34.03 ? 236 TRP A NE1 1 ATOM 1828 C CE2 . TRP A 1 236 ? 30.103 11.636 8.149 1.00 34.89 ? 236 TRP A CE2 1 ATOM 1829 C CE3 . TRP A 1 236 ? 32.186 12.073 9.329 1.00 31.52 ? 236 TRP A CE3 1 ATOM 1830 C CZ2 . TRP A 1 236 ? 29.415 11.422 9.361 1.00 33.63 ? 236 TRP A CZ2 1 ATOM 1831 C CZ3 . TRP A 1 236 ? 31.521 11.829 10.525 1.00 32.04 ? 236 TRP A CZ3 1 ATOM 1832 C CH2 . TRP A 1 236 ? 30.148 11.525 10.538 1.00 32.86 ? 236 TRP A CH2 1 ATOM 1833 N N . ALA A 1 237 ? 33.846 9.546 7.707 1.00 33.47 ? 237 ALA A N 1 ATOM 1834 C CA . ALA A 1 237 ? 34.054 9.006 9.058 1.00 34.01 ? 237 ALA A CA 1 ATOM 1835 C C . ALA A 1 237 ? 35.384 8.280 9.260 1.00 38.43 ? 237 ALA A C 1 ATOM 1836 O O . ALA A 1 237 ? 35.835 8.153 10.400 1.00 36.56 ? 237 ALA A O 1 ATOM 1837 C CB . ALA A 1 237 ? 32.880 8.112 9.471 1.00 34.37 ? 237 ALA A CB 1 ATOM 1838 N N . THR A 1 238 ? 35.979 7.756 8.179 1.00 35.35 ? 238 THR A N 1 ATOM 1839 C CA . THR A 1 238 ? 37.264 7.060 8.262 1.00 35.37 ? 238 THR A CA 1 ATOM 1840 C C . THR A 1 238 ? 38.204 7.496 7.136 1.00 39.72 ? 238 THR A C 1 ATOM 1841 O O . THR A 1 238 ? 37.772 8.020 6.105 1.00 38.52 ? 238 THR A O 1 ATOM 1842 C CB . THR A 1 238 ? 37.097 5.509 8.221 1.00 39.40 ? 238 THR A CB 1 ATOM 1843 O OG1 . THR A 1 238 ? 36.500 5.130 6.979 1.00 39.73 ? 238 THR A OG1 1 ATOM 1844 C CG2 . THR A 1 238 ? 36.289 4.947 9.400 1.00 33.33 ? 238 THR A CG2 1 ATOM 1845 N N . VAL A 1 239 ? 39.498 7.216 7.330 1.00 37.37 ? 239 VAL A N 1 ATOM 1846 C CA . VAL A 1 239 ? 40.558 7.374 6.334 1.00 36.32 ? 239 VAL A CA 1 ATOM 1847 C C . VAL A 1 239 ? 41.322 6.053 6.339 1.00 40.23 ? 239 VAL A C 1 ATOM 1848 O O . VAL A 1 239 ? 41.271 5.314 7.326 1.00 39.17 ? 239 VAL A O 1 ATOM 1849 C CB . VAL A 1 239 ? 41.500 8.597 6.567 1.00 38.57 ? 239 VAL A CB 1 ATOM 1850 C CG1 . VAL A 1 239 ? 40.781 9.911 6.258 1.00 37.41 ? 239 VAL A CG1 1 ATOM 1851 C CG2 . VAL A 1 239 ? 42.096 8.601 7.980 1.00 37.09 ? 239 VAL A CG2 1 ATOM 1852 N N . SER A 1 240 ? 42.015 5.747 5.241 1.00 38.42 ? 240 SER A N 1 ATOM 1853 C CA . SER A 1 240 ? 42.875 4.559 5.157 1.00 39.68 ? 240 SER A CA 1 ATOM 1854 C C . SER A 1 240 ? 44.132 4.866 5.994 1.00 43.00 ? 240 SER A C 1 ATOM 1855 O O . SER A 1 240 ? 44.374 6.034 6.325 1.00 41.86 ? 240 SER A O 1 ATOM 1856 C CB . SER A 1 240 ? 43.287 4.315 3.702 1.00 40.98 ? 240 SER A CB 1 ATOM 1857 O OG . SER A 1 240 ? 44.112 5.388 3.275 1.00 45.24 ? 240 SER A OG 1 ATOM 1858 N N . ALA A 1 241 ? 44.949 3.846 6.289 1.00 41.68 ? 241 ALA A N 1 ATOM 1859 C CA . ALA A 1 241 ? 46.211 4.014 7.010 1.00 41.96 ? 241 ALA A CA 1 ATOM 1860 C C . ALA A 1 241 ? 47.173 4.933 6.211 1.00 45.92 ? 241 ALA A C 1 ATOM 1861 O O . ALA A 1 241 ? 47.830 5.797 6.800 1.00 44.71 ? 241 ALA A O 1 ATOM 1862 C CB . ALA A 1 241 ? 46.859 2.657 7.256 1.00 43.88 ? 241 ALA A CB 1 ATOM 1863 N N . GLY A 1 242 ? 47.228 4.734 4.889 1.00 43.24 ? 242 GLY A N 1 ATOM 1864 C CA . GLY A 1 242 ? 48.058 5.526 3.984 1.00 43.11 ? 242 GLY A CA 1 ATOM 1865 C C . GLY A 1 242 ? 47.718 7.003 4.033 1.00 44.84 ? 242 GLY A C 1 ATOM 1866 O O . GLY A 1 242 ? 48.622 7.844 4.124 1.00 43.40 ? 242 GLY A O 1 ATOM 1867 N N . GLU A 1 243 ? 46.404 7.325 4.009 1.00 39.85 ? 243 GLU A N 1 ATOM 1868 C CA . GLU A 1 243 ? 45.908 8.705 4.060 1.00 39.41 ? 243 GLU A CA 1 ATOM 1869 C C . GLU A 1 243 ? 46.167 9.364 5.426 1.00 42.59 ? 243 GLU A C 1 ATOM 1870 O O . GLU A 1 243 ? 46.597 10.523 5.465 1.00 40.88 ? 243 GLU A O 1 ATOM 1871 C CB . GLU A 1 243 ? 44.425 8.800 3.632 1.00 39.98 ? 243 GLU A CB 1 ATOM 1872 C CG . GLU A 1 243 ? 43.869 10.223 3.526 1.00 42.94 ? 243 GLU A CG 1 ATOM 1873 C CD . GLU A 1 243 ? 44.544 11.213 2.584 1.00 46.44 ? 243 GLU A CD 1 ATOM 1874 O OE1 . GLU A 1 243 ? 44.172 12.406 2.628 1.00 43.35 ? 243 GLU A OE1 1 ATOM 1875 O OE2 . GLU A 1 243 ? 45.452 10.818 1.822 1.00 44.81 ? 243 GLU A OE2 1 ATOM 1876 N N . ALA A 1 244 ? 45.954 8.622 6.537 1.00 38.95 ? 244 ALA A N 1 ATOM 1877 C CA . ALA A 1 244 ? 46.252 9.122 7.884 1.00 37.71 ? 244 ALA A CA 1 ATOM 1878 C C . ALA A 1 244 ? 47.756 9.445 7.998 1.00 43.73 ? 244 ALA A C 1 ATOM 1879 O O . ALA A 1 244 ? 48.123 10.500 8.532 1.00 44.61 ? 244 ALA A O 1 ATOM 1880 C CB . ALA A 1 244 ? 45.860 8.092 8.930 1.00 37.65 ? 244 ALA A CB 1 ATOM 1881 N N . ARG A 1 245 ? 48.619 8.553 7.460 1.00 40.12 ? 245 ARG A N 1 ATOM 1882 C CA . ARG A 1 245 ? 50.064 8.734 7.472 1.00 41.28 ? 245 ARG A CA 1 ATOM 1883 C C . ARG A 1 245 ? 50.465 10.009 6.685 1.00 44.05 ? 245 ARG A C 1 ATOM 1884 O O . ARG A 1 245 ? 51.266 10.804 7.177 1.00 42.72 ? 245 ARG A O 1 ATOM 1885 C CB . ARG A 1 245 ? 50.781 7.489 6.920 1.00 41.73 ? 245 ARG A CB 1 ATOM 1886 C CG . ARG A 1 245 ? 52.299 7.662 6.776 1.00 43.04 ? 245 ARG A CG 1 ATOM 1887 C CD . ARG A 1 245 ? 53.023 6.322 6.640 1.00 46.40 ? 245 ARG A CD 1 ATOM 1888 N NE . ARG A 1 245 ? 52.924 5.518 7.872 1.00 48.93 ? 245 ARG A NE 1 ATOM 1889 C CZ . ARG A 1 245 ? 53.752 5.629 8.906 1.00 54.76 ? 245 ARG A CZ 1 ATOM 1890 N NH1 . ARG A 1 245 ? 54.741 6.516 8.884 1.00 48.82 ? 245 ARG A NH1 1 ATOM 1891 N NH2 . ARG A 1 245 ? 53.589 4.873 9.971 1.00 45.80 ? 245 ARG A NH2 1 ATOM 1892 N N . ARG A 1 246 ? 49.878 10.211 5.506 1.00 41.24 ? 246 ARG A N 1 ATOM 1893 C CA . ARG A 1 246 ? 50.143 11.387 4.668 1.00 41.57 ? 246 ARG A CA 1 ATOM 1894 C C . ARG A 1 246 ? 49.770 12.699 5.405 1.00 44.25 ? 246 ARG A C 1 ATOM 1895 O O . ARG A 1 246 ? 50.558 13.650 5.421 1.00 43.37 ? 246 ARG A O 1 ATOM 1896 C CB . ARG A 1 246 ? 49.364 11.279 3.353 1.00 42.02 ? 246 ARG A CB 1 ATOM 1897 C CG . ARG A 1 246 ? 49.793 12.314 2.319 1.00 48.30 ? 246 ARG A CG 1 ATOM 1898 C CD . ARG A 1 246 ? 48.785 12.514 1.205 1.00 51.39 ? 246 ARG A CD 1 ATOM 1899 N NE . ARG A 1 246 ? 47.463 12.969 1.663 1.00 49.59 ? 246 ARG A NE 1 ATOM 1900 C CZ . ARG A 1 246 ? 47.131 14.228 1.950 1.00 57.06 ? 246 ARG A CZ 1 ATOM 1901 N NH1 . ARG A 1 246 ? 45.891 14.526 2.296 1.00 44.08 ? 246 ARG A NH1 1 ATOM 1902 N NH2 . ARG A 1 246 ? 48.039 15.195 1.897 1.00 45.47 ? 246 ARG A NH2 1 ATOM 1903 N N . ARG A 1 247 ? 48.571 12.724 6.021 1.00 38.94 ? 247 ARG A N 1 ATOM 1904 C CA . ARG A 1 247 ? 48.063 13.884 6.749 1.00 37.27 ? 247 ARG A CA 1 ATOM 1905 C C . ARG A 1 247 ? 48.894 14.212 7.985 1.00 39.98 ? 247 ARG A C 1 ATOM 1906 O O . ARG A 1 247 ? 49.182 15.386 8.221 1.00 39.79 ? 247 ARG A O 1 ATOM 1907 C CB . ARG A 1 247 ? 46.584 13.692 7.100 1.00 34.95 ? 247 ARG A CB 1 ATOM 1908 C CG . ARG A 1 247 ? 45.679 13.698 5.873 1.00 37.77 ? 247 ARG A CG 1 ATOM 1909 C CD . ARG A 1 247 ? 44.252 13.504 6.313 1.00 36.83 ? 247 ARG A CD 1 ATOM 1910 N NE . ARG A 1 247 ? 43.367 13.307 5.170 1.00 38.90 ? 247 ARG A NE 1 ATOM 1911 C CZ . ARG A 1 247 ? 42.044 13.267 5.235 1.00 46.98 ? 247 ARG A CZ 1 ATOM 1912 N NH1 . ARG A 1 247 ? 41.421 13.441 6.395 1.00 36.12 ? 247 ARG A NH1 1 ATOM 1913 N NH2 . ARG A 1 247 ? 41.332 13.058 4.144 1.00 37.09 ? 247 ARG A NH2 1 ATOM 1914 N N . ALA A 1 248 ? 49.307 13.194 8.752 1.00 37.31 ? 248 ALA A N 1 ATOM 1915 C CA . ALA A 1 248 ? 50.129 13.396 9.952 1.00 37.43 ? 248 ALA A CA 1 ATOM 1916 C C . ALA A 1 248 ? 51.511 13.915 9.577 1.00 43.39 ? 248 ALA A C 1 ATOM 1917 O O . ALA A 1 248 ? 52.026 14.814 10.241 1.00 43.19 ? 248 ALA A O 1 ATOM 1918 C CB . ALA A 1 248 ? 50.257 12.095 10.735 1.00 38.09 ? 248 ALA A CB 1 ATOM 1919 N N . THR A 1 249 ? 52.107 13.347 8.518 1.00 42.21 ? 249 THR A N 1 ATOM 1920 C CA . THR A 1 249 ? 53.434 13.731 8.008 1.00 43.17 ? 249 THR A CA 1 ATOM 1921 C C . THR A 1 249 ? 53.419 15.178 7.520 1.00 45.99 ? 249 THR A C 1 ATOM 1922 O O . THR A 1 249 ? 54.339 15.926 7.833 1.00 48.14 ? 249 THR A O 1 ATOM 1923 C CB . THR A 1 249 ? 53.903 12.739 6.918 1.00 51.45 ? 249 THR A CB 1 ATOM 1924 O OG1 . THR A 1 249 ? 53.878 11.418 7.479 1.00 56.29 ? 249 THR A OG1 1 ATOM 1925 C CG2 . THR A 1 249 ? 55.307 13.060 6.388 1.00 47.63 ? 249 THR A CG2 1 ATOM 1926 N N . LEU A 1 250 ? 52.369 15.572 6.779 1.00 39.62 ? 250 LEU A N 1 ATOM 1927 C CA . LEU A 1 250 ? 52.232 16.937 6.273 1.00 38.59 ? 250 LEU A CA 1 ATOM 1928 C C . LEU A 1 250 ? 52.026 17.912 7.451 1.00 41.98 ? 250 LEU A C 1 ATOM 1929 O O . LEU A 1 250 ? 52.665 18.968 7.487 1.00 41.39 ? 250 LEU A O 1 ATOM 1930 C CB . LEU A 1 250 ? 51.075 17.036 5.255 1.00 37.13 ? 250 LEU A CB 1 ATOM 1931 C CG . LEU A 1 250 ? 50.768 18.422 4.651 1.00 40.94 ? 250 LEU A CG 1 ATOM 1932 C CD1 . LEU A 1 250 ? 52.017 19.054 3.983 1.00 40.84 ? 250 LEU A CD1 1 ATOM 1933 C CD2 . LEU A 1 250 ? 49.641 18.334 3.637 1.00 41.25 ? 250 LEU A CD2 1 ATOM 1934 N N . LEU A 1 251 ? 51.171 17.552 8.415 1.00 39.16 ? 251 LEU A N 1 ATOM 1935 C CA . LEU A 1 251 ? 50.947 18.422 9.573 1.00 40.17 ? 251 LEU A CA 1 ATOM 1936 C C . LEU A 1 251 ? 52.249 18.653 10.323 1.00 43.70 ? 251 LEU A C 1 ATOM 1937 O O . LEU A 1 251 ? 52.569 19.799 10.652 1.00 43.67 ? 251 LEU A O 1 ATOM 1938 C CB . LEU A 1 251 ? 49.843 17.900 10.507 1.00 40.12 ? 251 LEU A CB 1 ATOM 1939 C CG . LEU A 1 251 ? 49.631 18.816 11.724 1.00 45.58 ? 251 LEU A CG 1 ATOM 1940 C CD1 . LEU A 1 251 ? 48.434 19.677 11.584 1.00 45.87 ? 251 LEU A CD1 1 ATOM 1941 C CD2 . LEU A 1 251 ? 49.727 18.075 12.999 1.00 47.53 ? 251 LEU A CD2 1 ATOM 1942 N N . ALA A 1 252 ? 53.020 17.573 10.535 1.00 41.78 ? 252 ALA A N 1 ATOM 1943 C CA . ALA A 1 252 ? 54.328 17.628 11.192 1.00 43.00 ? 252 ALA A CA 1 ATOM 1944 C C . ALA A 1 252 ? 55.277 18.584 10.431 1.00 47.06 ? 252 ALA A C 1 ATOM 1945 O O . ALA A 1 252 ? 55.900 19.425 11.076 1.00 48.18 ? 252 ALA A O 1 ATOM 1946 C CB . ALA A 1 252 ? 54.934 16.234 11.304 1.00 44.10 ? 252 ALA A CB 1 ATOM 1947 N N . ARG A 1 253 ? 55.338 18.514 9.085 1.00 44.06 ? 253 ARG A N 1 ATOM 1948 C CA . ARG A 1 253 ? 56.180 19.438 8.273 1.00 44.43 ? 253 ARG A CA 1 ATOM 1949 C C . ARG A 1 253 ? 55.720 20.890 8.478 1.00 48.18 ? 253 ARG A C 1 ATOM 1950 O O . ARG A 1 253 ? 56.546 21.779 8.686 1.00 50.27 ? 253 ARG A O 1 ATOM 1951 C CB . ARG A 1 253 ? 56.154 19.110 6.764 1.00 45.11 ? 253 ARG A CB 1 ATOM 1952 C CG . ARG A 1 253 ? 56.613 17.711 6.392 1.00 55.78 ? 253 ARG A CG 1 ATOM 1953 C CD . ARG A 1 253 ? 57.188 17.546 4.985 1.00 65.99 ? 253 ARG A CD 1 ATOM 1954 N NE . ARG A 1 253 ? 56.321 18.012 3.894 1.00 82.19 ? 253 ARG A NE 1 ATOM 1955 C CZ . ARG A 1 253 ? 55.311 17.326 3.350 1.00 92.14 ? 253 ARG A CZ 1 ATOM 1956 N NH1 . ARG A 1 253 ? 54.622 17.840 2.336 1.00 73.69 ? 253 ARG A NH1 1 ATOM 1957 N NH2 . ARG A 1 253 ? 54.980 16.124 3.820 1.00 68.60 ? 253 ARG A NH2 1 ATOM 1958 N N . LEU A 1 254 ? 54.396 21.113 8.476 1.00 41.84 ? 254 LEU A N 1 ATOM 1959 C CA . LEU A 1 254 ? 53.787 22.437 8.637 1.00 41.00 ? 254 LEU A CA 1 ATOM 1960 C C . LEU A 1 254 ? 54.093 23.103 9.980 1.00 48.28 ? 254 LEU A C 1 ATOM 1961 O O . LEU A 1 254 ? 54.056 24.329 10.068 1.00 48.07 ? 254 LEU A O 1 ATOM 1962 C CB . LEU A 1 254 ? 52.269 22.397 8.360 1.00 38.76 ? 254 LEU A CB 1 ATOM 1963 C CG . LEU A 1 254 ? 51.852 22.079 6.893 1.00 42.34 ? 254 LEU A CG 1 ATOM 1964 C CD1 . LEU A 1 254 ? 50.329 21.868 6.760 1.00 40.03 ? 254 LEU A CD1 1 ATOM 1965 C CD2 . LEU A 1 254 ? 52.351 23.140 5.886 1.00 43.17 ? 254 LEU A CD2 1 ATOM 1966 N N . VAL A 1 255 ? 54.435 22.313 11.011 1.00 47.09 ? 255 VAL A N 1 ATOM 1967 C CA . VAL A 1 255 ? 54.754 22.854 12.329 1.00 46.98 ? 255 VAL A CA 1 ATOM 1968 C C . VAL A 1 255 ? 56.267 22.776 12.647 1.00 58.89 ? 255 VAL A C 1 ATOM 1969 O O . VAL A 1 255 ? 56.670 23.152 13.745 1.00 61.69 ? 255 VAL A O 1 ATOM 1970 C CB . VAL A 1 255 ? 53.873 22.268 13.463 1.00 46.35 ? 255 VAL A CB 1 ATOM 1971 C CG1 . VAL A 1 255 ? 52.416 22.656 13.270 1.00 43.64 ? 255 VAL A CG1 1 ATOM 1972 C CG2 . VAL A 1 255 ? 54.040 20.754 13.597 1.00 45.12 ? 255 VAL A CG2 1 ATOM 1973 N N . GLY A 1 256 ? 57.079 22.339 11.689 1.00 57.96 ? 256 GLY A N 1 ATOM 1974 C CA . GLY A 1 256 ? 58.530 22.273 11.858 1.00 60.24 ? 256 GLY A CA 1 ATOM 1975 C C . GLY A 1 256 ? 59.124 20.959 12.329 1.00 65.20 ? 256 GLY A C 1 ATOM 1976 O O . GLY A 1 256 ? 60.264 20.929 12.796 1.00 67.17 ? 256 GLY A O 1 ATOM 1977 N N . CYS A 1 257 ? 58.383 19.863 12.163 1.00 59.54 ? 257 CYS A N 1 ATOM 1978 C CA . CYS A 1 257 ? 58.796 18.523 12.540 1.00 59.24 ? 257 CYS A CA 1 ATOM 1979 C C . CYS A 1 257 ? 59.132 17.709 11.281 1.00 72.51 ? 257 CYS A C 1 ATOM 1980 O O . CYS A 1 257 ? 58.243 17.320 10.536 1.00 70.76 ? 257 CYS A O 1 ATOM 1981 C CB . CYS A 1 257 ? 57.733 17.884 13.432 1.00 55.74 ? 257 CYS A CB 1 ATOM 1982 S SG . CYS A 1 257 ? 57.557 18.731 15.026 1.00 57.92 ? 257 CYS A SG 1 ATOM 1983 N N . PRO A 1 258 ? 60.446 17.572 10.957 1.00 79.58 ? 258 PRO A N 1 ATOM 1984 C CA . PRO A 1 258 ? 60.838 16.964 9.675 1.00 82.35 ? 258 PRO A CA 1 ATOM 1985 C C . PRO A 1 258 ? 61.214 15.455 9.740 1.00 91.54 ? 258 PRO A C 1 ATOM 1986 O O . PRO A 1 258 ? 60.786 14.812 10.705 1.00 90.73 ? 258 PRO A O 1 ATOM 1987 C CB . PRO A 1 258 ? 62.002 17.876 9.253 1.00 85.75 ? 258 PRO A CB 1 ATOM 1988 C CG . PRO A 1 258 ? 62.633 18.336 10.582 1.00 90.36 ? 258 PRO A CG 1 ATOM 1989 C CD . PRO A 1 258 ? 61.645 18.039 11.691 1.00 83.68 ? 258 PRO A CD 1 ATOM 1990 N N . PRO A 1 259 ? 61.965 14.839 8.757 1.00 92.61 ? 259 PRO A N 1 ATOM 1991 C CA . PRO A 1 259 ? 62.278 13.401 8.873 1.00 99.57 ? 259 PRO A CA 1 ATOM 1992 C C . PRO A 1 259 ? 63.547 13.099 9.682 1.00 138.62 ? 259 PRO A C 1 ATOM 1993 O O . PRO A 1 259 ? 64.672 13.358 9.249 1.00 103.10 ? 259 PRO A O 1 ATOM 1994 C CB . PRO A 1 259 ? 62.386 12.939 7.409 1.00 101.18 ? 259 PRO A CB 1 ATOM 1995 C CG . PRO A 1 259 ? 62.687 14.187 6.613 1.00 104.00 ? 259 PRO A CG 1 ATOM 1996 C CD . PRO A 1 259 ? 62.552 15.392 7.514 1.00 97.41 ? 259 PRO A CD 1 ATOM 1997 N N . ASN A 1 265 ? 61.676 8.052 10.370 1.00 69.33 ? 265 ASN A N 1 ATOM 1998 C CA . ASN A 1 265 ? 61.530 7.426 11.677 1.00 68.45 ? 265 ASN A CA 1 ATOM 1999 C C . ASN A 1 265 ? 60.338 8.075 12.410 1.00 68.56 ? 265 ASN A C 1 ATOM 2000 O O . ASN A 1 265 ? 60.342 9.287 12.664 1.00 67.97 ? 265 ASN A O 1 ATOM 2001 C CB . ASN A 1 265 ? 62.880 7.487 12.432 1.00 72.91 ? 265 ASN A CB 1 ATOM 2002 C CG . ASN A 1 265 ? 62.885 7.106 13.899 1.00 97.60 ? 265 ASN A CG 1 ATOM 2003 O OD1 . ASN A 1 265 ? 62.254 7.749 14.739 1.00 87.73 ? 265 ASN A OD1 1 ATOM 2004 N ND2 . ASN A 1 265 ? 63.744 6.172 14.267 1.00 92.97 ? 265 ASN A ND2 1 ATOM 2005 N N . ASP A 1 266 ? 59.300 7.260 12.700 1.00 61.39 ? 266 ASP A N 1 ATOM 2006 C CA . ASP A 1 266 ? 58.077 7.702 13.365 1.00 57.61 ? 266 ASP A CA 1 ATOM 2007 C C . ASP A 1 266 ? 58.325 8.236 14.759 1.00 58.78 ? 266 ASP A C 1 ATOM 2008 O O . ASP A 1 266 ? 57.707 9.222 15.124 1.00 55.99 ? 266 ASP A O 1 ATOM 2009 C CB . ASP A 1 266 ? 57.014 6.584 13.395 1.00 57.58 ? 266 ASP A CB 1 ATOM 2010 C CG . ASP A 1 266 ? 56.345 6.279 12.065 1.00 57.74 ? 266 ASP A CG 1 ATOM 2011 O OD1 . ASP A 1 266 ? 56.543 7.059 11.102 1.00 57.96 ? 266 ASP A OD1 1 ATOM 2012 O OD2 . ASP A 1 266 ? 55.583 5.286 11.997 1.00 59.44 ? 266 ASP A OD2 1 ATOM 2013 N N . THR A 1 267 ? 59.245 7.622 15.522 1.00 56.64 ? 267 THR A N 1 ATOM 2014 C CA . THR A 1 267 ? 59.543 8.019 16.910 1.00 56.11 ? 267 THR A CA 1 ATOM 2015 C C . THR A 1 267 ? 59.947 9.488 16.991 1.00 57.35 ? 267 THR A C 1 ATOM 2016 O O . THR A 1 267 ? 59.338 10.239 17.745 1.00 54.89 ? 267 THR A O 1 ATOM 2017 C CB . THR A 1 267 ? 60.561 7.053 17.556 1.00 65.32 ? 267 THR A CB 1 ATOM 2018 O OG1 . THR A 1 267 ? 60.014 5.735 17.520 1.00 66.26 ? 267 THR A OG1 1 ATOM 2019 C CG2 . THR A 1 267 ? 60.892 7.417 19.003 1.00 62.04 ? 267 THR A CG2 1 ATOM 2020 N N . GLU A 1 268 ? 60.913 9.894 16.164 1.00 54.95 ? 268 GLU A N 1 ATOM 2021 C CA . GLU A 1 268 ? 61.435 11.263 16.085 1.00 55.37 ? 268 GLU A CA 1 ATOM 2022 C C . GLU A 1 268 ? 60.359 12.256 15.684 1.00 57.13 ? 268 GLU A C 1 ATOM 2023 O O . GLU A 1 268 ? 60.267 13.316 16.289 1.00 58.09 ? 268 GLU A O 1 ATOM 2024 C CB . GLU A 1 268 ? 62.615 11.348 15.090 1.00 58.51 ? 268 GLU A CB 1 ATOM 2025 C CG . GLU A 1 268 ? 63.862 10.606 15.517 1.00 70.13 ? 268 GLU A CG 1 ATOM 2026 C CD . GLU A 1 268 ? 65.092 10.830 14.652 1.00 101.86 ? 268 GLU A CD 1 ATOM 2027 O OE1 . GLU A 1 268 ? 64.996 11.459 13.570 1.00 92.54 ? 268 GLU A OE1 1 ATOM 2028 O OE2 . GLU A 1 268 ? 66.172 10.365 15.078 1.00 104.15 ? 268 GLU A OE2 1 ATOM 2029 N N . LEU A 1 269 ? 59.547 11.915 14.674 1.00 51.49 ? 269 LEU A N 1 ATOM 2030 C CA . LEU A 1 269 ? 58.466 12.760 14.190 1.00 49.19 ? 269 LEU A CA 1 ATOM 2031 C C . LEU A 1 269 ? 57.442 12.997 15.316 1.00 50.19 ? 269 LEU A C 1 ATOM 2032 O O . LEU A 1 269 ? 57.105 14.145 15.601 1.00 47.60 ? 269 LEU A O 1 ATOM 2033 C CB . LEU A 1 269 ? 57.813 12.116 12.942 1.00 48.77 ? 269 LEU A CB 1 ATOM 2034 C CG . LEU A 1 269 ? 56.810 12.954 12.147 1.00 51.58 ? 269 LEU A CG 1 ATOM 2035 C CD1 . LEU A 1 269 ? 56.724 12.483 10.732 1.00 51.63 ? 269 LEU A CD1 1 ATOM 2036 C CD2 . LEU A 1 269 ? 55.414 12.842 12.727 1.00 53.31 ? 269 LEU A CD2 1 ATOM 2037 N N . ILE A 1 270 ? 56.981 11.916 15.971 1.00 47.74 ? 270 ILE A N 1 ATOM 2038 C CA . ILE A 1 270 ? 55.998 11.979 17.055 1.00 45.86 ? 270 ILE A CA 1 ATOM 2039 C C . ILE A 1 270 ? 56.556 12.739 18.263 1.00 47.21 ? 270 ILE A C 1 ATOM 2040 O O . ILE A 1 270 ? 55.842 13.585 18.809 1.00 45.77 ? 270 ILE A O 1 ATOM 2041 C CB . ILE A 1 270 ? 55.419 10.583 17.416 1.00 48.38 ? 270 ILE A CB 1 ATOM 2042 C CG1 . ILE A 1 270 ? 54.791 9.910 16.154 1.00 48.52 ? 270 ILE A CG1 1 ATOM 2043 C CG2 . ILE A 1 270 ? 54.385 10.706 18.531 1.00 44.26 ? 270 ILE A CG2 1 ATOM 2044 C CD1 . ILE A 1 270 ? 54.759 8.351 16.154 1.00 56.68 ? 270 ILE A CD1 1 ATOM 2045 N N . ALA A 1 271 ? 57.830 12.490 18.627 1.00 44.22 ? 271 ALA A N 1 ATOM 2046 C CA . ALA A 1 271 ? 58.482 13.186 19.734 1.00 45.88 ? 271 ALA A CA 1 ATOM 2047 C C . ALA A 1 271 ? 58.516 14.691 19.478 1.00 51.25 ? 271 ALA A C 1 ATOM 2048 O O . ALA A 1 271 ? 58.214 15.458 20.386 1.00 49.74 ? 271 ALA A O 1 ATOM 2049 C CB . ALA A 1 271 ? 59.892 12.639 19.965 1.00 48.46 ? 271 ALA A CB 1 ATOM 2050 N N . CYS A 1 272 ? 58.833 15.110 18.233 1.00 50.42 ? 272 CYS A N 1 ATOM 2051 C CA . CYS A 1 272 ? 58.836 16.523 17.867 1.00 52.03 ? 272 CYS A CA 1 ATOM 2052 C C . CYS A 1 272 ? 57.391 17.094 17.924 1.00 51.59 ? 272 CYS A C 1 ATOM 2053 O O . CYS A 1 272 ? 57.201 18.177 18.471 1.00 51.11 ? 272 CYS A O 1 ATOM 2054 C CB . CYS A 1 272 ? 59.499 16.749 16.507 1.00 54.90 ? 272 CYS A CB 1 ATOM 2055 S SG . CYS A 1 272 ? 59.442 18.468 15.926 1.00 60.01 ? 272 CYS A SG 1 ATOM 2056 N N . LEU A 1 273 ? 56.380 16.352 17.425 1.00 44.83 ? 273 LEU A N 1 ATOM 2057 C CA . LEU A 1 273 ? 54.973 16.788 17.503 1.00 42.42 ? 273 LEU A CA 1 ATOM 2058 C C . LEU A 1 273 ? 54.525 16.993 18.953 1.00 44.98 ? 273 LEU A C 1 ATOM 2059 O O . LEU A 1 273 ? 53.750 17.916 19.223 1.00 43.73 ? 273 LEU A O 1 ATOM 2060 C CB . LEU A 1 273 ? 54.020 15.811 16.813 1.00 41.34 ? 273 LEU A CB 1 ATOM 2061 C CG . LEU A 1 273 ? 53.894 15.876 15.283 1.00 45.43 ? 273 LEU A CG 1 ATOM 2062 C CD1 . LEU A 1 273 ? 53.046 14.718 14.789 1.00 42.89 ? 273 LEU A CD1 1 ATOM 2063 C CD2 . LEU A 1 273 ? 53.282 17.214 14.811 1.00 45.35 ? 273 LEU A CD2 1 ATOM 2064 N N . ARG A 1 274 ? 55.052 16.167 19.892 1.00 41.48 ? 274 ARG A N 1 ATOM 2065 C CA . ARG A 1 274 ? 54.744 16.270 21.320 1.00 41.30 ? 274 ARG A CA 1 ATOM 2066 C C . ARG A 1 274 ? 55.304 17.544 21.978 1.00 45.18 ? 274 ARG A C 1 ATOM 2067 O O . ARG A 1 274 ? 54.790 17.962 23.007 1.00 44.10 ? 274 ARG A O 1 ATOM 2068 C CB . ARG A 1 274 ? 55.172 15.002 22.092 1.00 41.38 ? 274 ARG A CB 1 ATOM 2069 C CG . ARG A 1 274 ? 54.252 13.810 21.823 1.00 43.09 ? 274 ARG A CG 1 ATOM 2070 C CD . ARG A 1 274 ? 54.411 12.700 22.840 1.00 48.81 ? 274 ARG A CD 1 ATOM 2071 N NE . ARG A 1 274 ? 55.822 12.384 23.050 1.00 57.76 ? 274 ARG A NE 1 ATOM 2072 C CZ . ARG A 1 274 ? 56.448 11.338 22.530 1.00 62.85 ? 274 ARG A CZ 1 ATOM 2073 N NH1 . ARG A 1 274 ? 55.779 10.449 21.802 1.00 42.69 ? 274 ARG A NH1 1 ATOM 2074 N NH2 . ARG A 1 274 ? 57.742 11.156 22.754 1.00 48.54 ? 274 ARG A NH2 1 ATOM 2075 N N . THR A 1 275 ? 56.326 18.171 21.386 1.00 44.58 ? 275 THR A N 1 ATOM 2076 C CA . THR A 1 275 ? 56.919 19.407 21.932 1.00 45.50 ? 275 THR A CA 1 ATOM 2077 C C . THR A 1 275 ? 56.129 20.648 21.488 1.00 48.50 ? 275 THR A C 1 ATOM 2078 O O . THR A 1 275 ? 56.355 21.742 22.008 1.00 49.59 ? 275 THR A O 1 ATOM 2079 C CB . THR A 1 275 ? 58.388 19.571 21.486 1.00 51.32 ? 275 THR A CB 1 ATOM 2080 O OG1 . THR A 1 275 ? 58.418 19.865 20.084 1.00 50.74 ? 275 THR A OG1 1 ATOM 2081 C CG2 . THR A 1 275 ? 59.254 18.368 21.833 1.00 46.88 ? 275 THR A CG2 1 ATOM 2082 N N . ARG A 1 276 ? 55.241 20.489 20.499 1.00 44.09 ? 276 ARG A N 1 ATOM 2083 C CA . ARG A 1 276 ? 54.480 21.595 19.945 1.00 42.72 ? 276 ARG A CA 1 ATOM 2084 C C . ARG A 1 276 ? 53.349 22.079 20.839 1.00 47.94 ? 276 ARG A C 1 ATOM 2085 O O . ARG A 1 276 ? 52.587 21.259 21.360 1.00 47.08 ? 276 ARG A O 1 ATOM 2086 C CB . ARG A 1 276 ? 53.956 21.254 18.533 1.00 43.84 ? 276 ARG A CB 1 ATOM 2087 C CG . ARG A 1 276 ? 55.054 21.156 17.457 1.00 51.77 ? 276 ARG A CG 1 ATOM 2088 C CD . ARG A 1 276 ? 55.914 22.408 17.401 1.00 62.18 ? 276 ARG A CD 1 ATOM 2089 N NE . ARG A 1 276 ? 56.936 22.342 16.361 1.00 78.99 ? 276 ARG A NE 1 ATOM 2090 C CZ . ARG A 1 276 ? 58.217 22.042 16.564 1.00 92.70 ? 276 ARG A CZ 1 ATOM 2091 N NH1 . ARG A 1 276 ? 58.657 21.767 17.784 1.00 80.07 ? 276 ARG A NH1 1 ATOM 2092 N NH2 . ARG A 1 276 ? 59.068 22.025 15.548 1.00 78.74 ? 276 ARG A NH2 1 ATOM 2093 N N . PRO A 1 277 ? 53.162 23.416 20.967 1.00 46.73 ? 277 PRO A N 1 ATOM 2094 C CA . PRO A 1 277 ? 52.009 23.924 21.728 1.00 45.77 ? 277 PRO A CA 1 ATOM 2095 C C . PRO A 1 277 ? 50.712 23.410 21.103 1.00 48.06 ? 277 PRO A C 1 ATOM 2096 O O . PRO A 1 277 ? 50.668 23.233 19.891 1.00 47.18 ? 277 PRO A O 1 ATOM 2097 C CB . PRO A 1 277 ? 52.147 25.443 21.572 1.00 48.15 ? 277 PRO A CB 1 ATOM 2098 C CG . PRO A 1 277 ? 53.625 25.678 21.316 1.00 53.53 ? 277 PRO A CG 1 ATOM 2099 C CD . PRO A 1 277 ? 53.972 24.534 20.418 1.00 48.81 ? 277 PRO A CD 1 ATOM 2100 N N . ALA A 1 278 ? 49.677 23.116 21.913 1.00 43.77 ? 278 ALA A N 1 ATOM 2101 C CA . ALA A 1 278 ? 48.388 22.601 21.411 1.00 41.45 ? 278 ALA A CA 1 ATOM 2102 C C . ALA A 1 278 ? 47.772 23.497 20.315 1.00 43.73 ? 278 ALA A C 1 ATOM 2103 O O . ALA A 1 278 ? 47.261 22.980 19.313 1.00 40.48 ? 278 ALA A O 1 ATOM 2104 C CB . ALA A 1 278 ? 47.395 22.394 22.565 1.00 40.67 ? 278 ALA A CB 1 ATOM 2105 N N . GLN A 1 279 ? 47.857 24.836 20.491 1.00 42.01 ? 279 GLN A N 1 ATOM 2106 C CA . GLN A 1 279 ? 47.309 25.791 19.528 1.00 41.90 ? 279 GLN A CA 1 ATOM 2107 C C . GLN A 1 279 ? 48.018 25.739 18.168 1.00 45.77 ? 279 GLN A C 1 ATOM 2108 O O . GLN A 1 279 ? 47.353 26.011 17.179 1.00 44.75 ? 279 GLN A O 1 ATOM 2109 C CB . GLN A 1 279 ? 47.247 27.228 20.098 1.00 42.91 ? 279 GLN A CB 1 ATOM 2110 C CG . GLN A 1 279 ? 46.398 28.217 19.280 1.00 45.53 ? 279 GLN A CG 1 ATOM 2111 C CD . GLN A 1 279 ? 44.979 27.757 19.061 1.00 57.18 ? 279 GLN A CD 1 ATOM 2112 O OE1 . GLN A 1 279 ? 44.285 27.409 20.006 1.00 50.11 ? 279 GLN A OE1 1 ATOM 2113 N NE2 . GLN A 1 279 ? 44.497 27.790 17.821 1.00 50.81 ? 279 GLN A NE2 1 ATOM 2114 N N . ASP A 1 280 ? 49.332 25.383 18.110 1.00 43.34 ? 280 ASP A N 1 ATOM 2115 C CA . ASP A 1 280 ? 50.051 25.256 16.828 1.00 43.72 ? 280 ASP A CA 1 ATOM 2116 C C . ASP A 1 280 ? 49.453 24.131 15.985 1.00 44.46 ? 280 ASP A C 1 ATOM 2117 O O . ASP A 1 280 ? 49.344 24.278 14.777 1.00 44.85 ? 280 ASP A O 1 ATOM 2118 C CB . ASP A 1 280 ? 51.557 24.968 17.038 1.00 48.65 ? 280 ASP A CB 1 ATOM 2119 C CG . ASP A 1 280 ? 52.400 26.147 17.473 1.00 66.43 ? 280 ASP A CG 1 ATOM 2120 O OD1 . ASP A 1 280 ? 51.814 27.186 17.884 1.00 67.34 ? 280 ASP A OD1 1 ATOM 2121 O OD2 . ASP A 1 280 ? 53.646 26.021 17.450 1.00 78.44 ? 280 ASP A OD2 1 ATOM 2122 N N . LEU A 1 281 ? 49.074 23.007 16.620 1.00 40.68 ? 281 LEU A N 1 ATOM 2123 C CA . LEU A 1 281 ? 48.481 21.862 15.924 1.00 39.09 ? 281 LEU A CA 1 ATOM 2124 C C . LEU A 1 281 ? 47.111 22.224 15.385 1.00 42.76 ? 281 LEU A C 1 ATOM 2125 O O . LEU A 1 281 ? 46.841 21.949 14.214 1.00 42.82 ? 281 LEU A O 1 ATOM 2126 C CB . LEU A 1 281 ? 48.433 20.610 16.825 1.00 37.90 ? 281 LEU A CB 1 ATOM 2127 C CG . LEU A 1 281 ? 49.769 20.111 17.470 1.00 41.87 ? 281 LEU A CG 1 ATOM 2128 C CD1 . LEU A 1 281 ? 49.559 18.780 18.181 1.00 42.05 ? 281 LEU A CD1 1 ATOM 2129 C CD2 . LEU A 1 281 ? 50.897 19.951 16.449 1.00 39.01 ? 281 LEU A CD2 1 ATOM 2130 N N . VAL A 1 282 ? 46.268 22.909 16.226 1.00 38.04 ? 282 VAL A N 1 ATOM 2131 C CA . VAL A 1 282 ? 44.928 23.380 15.846 1.00 36.05 ? 282 VAL A CA 1 ATOM 2132 C C . VAL A 1 282 ? 45.022 24.354 14.662 1.00 41.13 ? 282 VAL A C 1 ATOM 2133 O O . VAL A 1 282 ? 44.207 24.239 13.737 1.00 39.72 ? 282 VAL A O 1 ATOM 2134 C CB . VAL A 1 282 ? 44.126 23.988 17.046 1.00 38.36 ? 282 VAL A CB 1 ATOM 2135 C CG1 . VAL A 1 282 ? 42.835 24.659 16.569 1.00 35.87 ? 282 VAL A CG1 1 ATOM 2136 C CG2 . VAL A 1 282 ? 43.826 22.923 18.108 1.00 37.58 ? 282 VAL A CG2 1 ATOM 2137 N N . ASP A 1 283 ? 46.008 25.310 14.705 1.00 37.60 ? 283 ASP A N 1 ATOM 2138 C CA . ASP A 1 283 ? 46.213 26.325 13.661 1.00 38.70 ? 283 ASP A CA 1 ATOM 2139 C C . ASP A 1 283 ? 46.527 25.753 12.257 1.00 43.35 ? 283 ASP A C 1 ATOM 2140 O O . ASP A 1 283 ? 46.291 26.440 11.268 1.00 42.76 ? 283 ASP A O 1 ATOM 2141 C CB . ASP A 1 283 ? 47.331 27.314 14.055 1.00 41.26 ? 283 ASP A CB 1 ATOM 2142 C CG . ASP A 1 283 ? 46.971 28.359 15.119 1.00 51.56 ? 283 ASP A CG 1 ATOM 2143 O OD1 . ASP A 1 283 ? 45.771 28.471 15.471 1.00 49.81 ? 283 ASP A OD1 1 ATOM 2144 O OD2 . ASP A 1 283 ? 47.891 29.053 15.605 1.00 58.82 ? 283 ASP A OD2 1 ATOM 2145 N N . HIS A 1 284 ? 47.092 24.520 12.185 1.00 40.49 ? 284 HIS A N 1 ATOM 2146 C CA . HIS A 1 284 ? 47.445 23.894 10.910 1.00 40.26 ? 284 HIS A CA 1 ATOM 2147 C C . HIS A 1 284 ? 46.617 22.702 10.522 1.00 42.13 ? 284 HIS A C 1 ATOM 2148 O O . HIS A 1 284 ? 46.794 22.196 9.409 1.00 42.22 ? 284 HIS A O 1 ATOM 2149 C CB . HIS A 1 284 ? 48.925 23.494 10.899 1.00 42.47 ? 284 HIS A CB 1 ATOM 2150 C CG . HIS A 1 284 ? 49.825 24.669 10.957 1.00 46.82 ? 284 HIS A CG 1 ATOM 2151 N ND1 . HIS A 1 284 ? 50.276 25.164 12.170 1.00 49.73 ? 284 HIS A ND1 1 ATOM 2152 C CD2 . HIS A 1 284 ? 50.223 25.493 9.964 1.00 48.74 ? 284 HIS A CD2 1 ATOM 2153 C CE1 . HIS A 1 284 ? 50.980 26.241 11.866 1.00 49.89 ? 284 HIS A CE1 1 ATOM 2154 N NE2 . HIS A 1 284 ? 50.974 26.473 10.549 1.00 49.86 ? 284 HIS A NE2 1 ATOM 2155 N N . GLU A 1 285 ? 45.730 22.225 11.409 1.00 37.17 ? 285 GLU A N 1 ATOM 2156 C CA . GLU A 1 285 ? 44.997 20.991 11.137 1.00 37.50 ? 285 GLU A CA 1 ATOM 2157 C C . GLU A 1 285 ? 44.126 21.016 9.855 1.00 40.64 ? 285 GLU A C 1 ATOM 2158 O O . GLU A 1 285 ? 44.016 19.988 9.199 1.00 38.97 ? 285 GLU A O 1 ATOM 2159 C CB . GLU A 1 285 ? 44.189 20.514 12.353 1.00 37.65 ? 285 GLU A CB 1 ATOM 2160 C CG . GLU A 1 285 ? 42.887 21.255 12.533 1.00 44.66 ? 285 GLU A CG 1 ATOM 2161 C CD . GLU A 1 285 ? 41.995 20.742 13.644 1.00 59.73 ? 285 GLU A CD 1 ATOM 2162 O OE1 . GLU A 1 285 ? 41.200 21.557 14.156 1.00 59.80 ? 285 GLU A OE1 1 ATOM 2163 O OE2 . GLU A 1 285 ? 42.029 19.530 13.948 1.00 45.97 ? 285 GLU A OE2 1 ATOM 2164 N N . TRP A 1 286 ? 43.567 22.155 9.480 1.00 42.01 ? 286 TRP A N 1 ATOM 2165 C CA . TRP A 1 286 ? 42.759 22.248 8.277 1.00 45.78 ? 286 TRP A CA 1 ATOM 2166 C C . TRP A 1 286 ? 43.580 22.271 6.969 1.00 50.06 ? 286 TRP A C 1 ATOM 2167 O O . TRP A 1 286 ? 43.012 22.067 5.912 1.00 50.45 ? 286 TRP A O 1 ATOM 2168 C CB . TRP A 1 286 ? 41.807 23.445 8.373 1.00 47.71 ? 286 TRP A CB 1 ATOM 2169 C CG . TRP A 1 286 ? 40.739 23.182 9.394 1.00 51.69 ? 286 TRP A CG 1 ATOM 2170 C CD1 . TRP A 1 286 ? 40.775 23.510 10.723 1.00 55.09 ? 286 TRP A CD1 1 ATOM 2171 C CD2 . TRP A 1 286 ? 39.600 22.320 9.225 1.00 52.70 ? 286 TRP A CD2 1 ATOM 2172 N NE1 . TRP A 1 286 ? 39.703 22.941 11.385 1.00 55.03 ? 286 TRP A NE1 1 ATOM 2173 C CE2 . TRP A 1 286 ? 38.938 22.248 10.477 1.00 57.32 ? 286 TRP A CE2 1 ATOM 2174 C CE3 . TRP A 1 286 ? 39.053 21.623 8.124 1.00 55.08 ? 286 TRP A CE3 1 ATOM 2175 C CZ2 . TRP A 1 286 ? 37.734 21.546 10.646 1.00 57.14 ? 286 TRP A CZ2 1 ATOM 2176 C CZ3 . TRP A 1 286 ? 37.847 20.947 8.285 1.00 56.64 ? 286 TRP A CZ3 1 ATOM 2177 C CH2 . TRP A 1 286 ? 37.193 20.925 9.526 1.00 57.29 ? 286 TRP A CH2 1 ATOM 2178 N N . HIS A 1 287 ? 44.900 22.458 7.042 1.00 45.72 ? 287 HIS A N 1 ATOM 2179 C CA . HIS A 1 287 ? 45.750 22.566 5.855 1.00 46.78 ? 287 HIS A CA 1 ATOM 2180 C C . HIS A 1 287 ? 46.166 21.232 5.243 1.00 46.35 ? 287 HIS A C 1 ATOM 2181 O O . HIS A 1 287 ? 46.944 21.253 4.300 1.00 47.21 ? 287 HIS A O 1 ATOM 2182 C CB . HIS A 1 287 ? 47.030 23.372 6.176 1.00 50.10 ? 287 HIS A CB 1 ATOM 2183 C CG . HIS A 1 287 ? 46.816 24.740 6.730 1.00 55.89 ? 287 HIS A CG 1 ATOM 2184 N ND1 . HIS A 1 287 ? 45.910 25.634 6.170 1.00 58.94 ? 287 HIS A ND1 1 ATOM 2185 C CD2 . HIS A 1 287 ? 47.475 25.357 7.727 1.00 59.90 ? 287 HIS A CD2 1 ATOM 2186 C CE1 . HIS A 1 287 ? 46.003 26.734 6.899 1.00 59.39 ? 287 HIS A CE1 1 ATOM 2187 N NE2 . HIS A 1 287 ? 46.931 26.607 7.848 1.00 60.16 ? 287 HIS A NE2 1 ATOM 2188 N N . VAL A 1 288 ? 45.721 20.086 5.788 1.00 39.81 ? 288 VAL A N 1 ATOM 2189 C CA . VAL A 1 288 ? 46.198 18.779 5.320 1.00 38.98 ? 288 VAL A CA 1 ATOM 2190 C C . VAL A 1 288 ? 45.191 18.020 4.446 1.00 41.74 ? 288 VAL A C 1 ATOM 2191 O O . VAL A 1 288 ? 45.526 16.938 3.958 1.00 43.18 ? 288 VAL A O 1 ATOM 2192 C CB . VAL A 1 288 ? 46.721 17.884 6.481 1.00 42.13 ? 288 VAL A CB 1 ATOM 2193 C CG1 . VAL A 1 288 ? 47.876 18.556 7.204 1.00 42.37 ? 288 VAL A CG1 1 ATOM 2194 C CG2 . VAL A 1 288 ? 45.607 17.504 7.462 1.00 40.98 ? 288 VAL A CG2 1 ATOM 2195 N N . LEU A 1 289 ? 43.976 18.550 4.269 1.00 37.59 ? 289 LEU A N 1 ATOM 2196 C CA . LEU A 1 289 ? 42.946 17.930 3.412 1.00 38.44 ? 289 LEU A CA 1 ATOM 2197 C C . LEU A 1 289 ? 43.433 17.843 1.963 1.00 42.89 ? 289 LEU A C 1 ATOM 2198 O O . LEU A 1 289 ? 44.064 18.789 1.495 1.00 42.74 ? 289 LEU A O 1 ATOM 2199 C CB . LEU A 1 289 ? 41.591 18.672 3.510 1.00 37.21 ? 289 LEU A CB 1 ATOM 2200 C CG . LEU A 1 289 ? 40.821 18.439 4.830 1.00 40.80 ? 289 LEU A CG 1 ATOM 2201 C CD1 . LEU A 1 289 ? 39.583 19.361 4.900 1.00 40.25 ? 289 LEU A CD1 1 ATOM 2202 C CD2 . LEU A 1 289 ? 40.426 16.965 4.996 1.00 38.54 ? 289 LEU A CD2 1 ATOM 2203 N N . PRO A 1 290 ? 43.245 16.697 1.276 1.00 40.69 ? 290 PRO A N 1 ATOM 2204 C CA . PRO A 1 290 ? 43.813 16.545 -0.085 1.00 41.97 ? 290 PRO A CA 1 ATOM 2205 C C . PRO A 1 290 ? 43.212 17.436 -1.169 1.00 47.32 ? 290 PRO A C 1 ATOM 2206 O O . PRO A 1 290 ? 43.873 17.702 -2.160 1.00 46.75 ? 290 PRO A O 1 ATOM 2207 C CB . PRO A 1 290 ? 43.604 15.058 -0.391 1.00 44.29 ? 290 PRO A CB 1 ATOM 2208 C CG . PRO A 1 290 ? 42.430 14.658 0.467 1.00 47.18 ? 290 PRO A CG 1 ATOM 2209 C CD . PRO A 1 290 ? 42.566 15.467 1.723 1.00 42.13 ? 290 PRO A CD 1 ATOM 2210 N N . GLN A 1 291 ? 41.957 17.882 -0.998 1.00 44.68 ? 291 GLN A N 1 ATOM 2211 C CA . GLN A 1 291 ? 41.290 18.760 -1.972 1.00 44.55 ? 291 GLN A CA 1 ATOM 2212 C C . GLN A 1 291 ? 40.465 19.769 -1.204 1.00 46.67 ? 291 GLN A C 1 ATOM 2213 O O . GLN A 1 291 ? 40.173 19.570 -0.029 1.00 46.14 ? 291 GLN A O 1 ATOM 2214 C CB . GLN A 1 291 ? 40.299 17.987 -2.898 1.00 45.83 ? 291 GLN A CB 1 ATOM 2215 C CG . GLN A 1 291 ? 40.802 16.722 -3.570 1.00 52.52 ? 291 GLN A CG 1 ATOM 2216 C CD . GLN A 1 291 ? 40.577 15.510 -2.706 1.00 67.24 ? 291 GLN A CD 1 ATOM 2217 O OE1 . GLN A 1 291 ? 39.813 15.538 -1.731 1.00 64.07 ? 291 GLN A OE1 1 ATOM 2218 N NE2 . GLN A 1 291 ? 41.264 14.426 -3.025 1.00 55.02 ? 291 GLN A NE2 1 ATOM 2219 N N . GLU A 1 292 ? 40.022 20.813 -1.903 1.00 42.06 ? 292 GLU A N 1 ATOM 2220 C CA . GLU A 1 292 ? 39.100 21.808 -1.388 1.00 40.22 ? 292 GLU A CA 1 ATOM 2221 C C . GLU A 1 292 ? 37.793 21.004 -1.189 1.00 41.73 ? 292 GLU A C 1 ATOM 2222 O O . GLU A 1 292 ? 37.375 20.251 -2.078 1.00 40.59 ? 292 GLU A O 1 ATOM 2223 C CB . GLU A 1 292 ? 38.897 22.902 -2.458 1.00 41.40 ? 292 GLU A CB 1 ATOM 2224 C CG . GLU A 1 292 ? 37.973 24.015 -1.998 1.00 53.34 ? 292 GLU A CG 1 ATOM 2225 C CD . GLU A 1 292 ? 37.626 25.059 -3.039 1.00 77.37 ? 292 GLU A CD 1 ATOM 2226 O OE1 . GLU A 1 292 ? 38.129 24.972 -4.185 1.00 74.78 ? 292 GLU A OE1 1 ATOM 2227 O OE2 . GLU A 1 292 ? 36.852 25.979 -2.693 1.00 71.78 ? 292 GLU A OE2 1 ATOM 2228 N N . SER A 1 293 ? 37.210 21.077 -0.011 1.00 36.66 ? 293 SER A N 1 ATOM 2229 C CA . SER A 1 293 ? 36.051 20.232 0.246 1.00 36.19 ? 293 SER A CA 1 ATOM 2230 C C . SER A 1 293 ? 35.182 20.718 1.373 1.00 40.29 ? 293 SER A C 1 ATOM 2231 O O . SER A 1 293 ? 35.573 21.596 2.137 1.00 40.46 ? 293 SER A O 1 ATOM 2232 C CB . SER A 1 293 ? 36.515 18.808 0.574 1.00 38.06 ? 293 SER A CB 1 ATOM 2233 O OG . SER A 1 293 ? 37.489 18.765 1.596 1.00 43.88 ? 293 SER A OG 1 ATOM 2234 N N . ILE A 1 294 ? 33.999 20.114 1.496 1.00 35.31 ? 294 ILE A N 1 ATOM 2235 C CA . ILE A 1 294 ? 33.116 20.340 2.640 1.00 33.53 ? 294 ILE A CA 1 ATOM 2236 C C . ILE A 1 294 ? 32.738 18.962 3.137 1.00 36.25 ? 294 ILE A C 1 ATOM 2237 O O . ILE A 1 294 ? 32.834 17.994 2.365 1.00 33.63 ? 294 ILE A O 1 ATOM 2238 C CB . ILE A 1 294 ? 31.896 21.242 2.323 1.00 36.28 ? 294 ILE A CB 1 ATOM 2239 C CG1 . ILE A 1 294 ? 31.020 20.651 1.172 1.00 36.01 ? 294 ILE A CG1 1 ATOM 2240 C CG2 . ILE A 1 294 ? 32.359 22.698 2.060 1.00 36.06 ? 294 ILE A CG2 1 ATOM 2241 C CD1 . ILE A 1 294 ? 29.668 21.335 0.978 1.00 40.55 ? 294 ILE A CD1 1 ATOM 2242 N N . PHE A 1 295 ? 32.339 18.857 4.421 1.00 33.60 ? 295 PHE A N 1 ATOM 2243 C CA . PHE A 1 295 ? 32.004 17.591 5.065 1.00 32.98 ? 295 PHE A CA 1 ATOM 2244 C C . PHE A 1 295 ? 33.198 16.606 5.008 1.00 33.97 ? 295 PHE A C 1 ATOM 2245 O O . PHE A 1 295 ? 33.027 15.411 4.803 1.00 34.20 ? 295 PHE A O 1 ATOM 2246 C CB . PHE A 1 295 ? 30.699 16.989 4.486 1.00 34.94 ? 295 PHE A CB 1 ATOM 2247 C CG . PHE A 1 295 ? 29.756 16.412 5.523 1.00 35.40 ? 295 PHE A CG 1 ATOM 2248 C CD1 . PHE A 1 295 ? 30.226 15.551 6.520 1.00 34.08 ? 295 PHE A CD1 1 ATOM 2249 C CD2 . PHE A 1 295 ? 28.389 16.695 5.480 1.00 36.43 ? 295 PHE A CD2 1 ATOM 2250 C CE1 . PHE A 1 295 ? 29.361 15.023 7.475 1.00 32.88 ? 295 PHE A CE1 1 ATOM 2251 C CE2 . PHE A 1 295 ? 27.514 16.115 6.408 1.00 36.38 ? 295 PHE A CE2 1 ATOM 2252 C CZ . PHE A 1 295 ? 28.014 15.306 7.413 1.00 33.49 ? 295 PHE A CZ 1 ATOM 2253 N N . ARG A 1 296 ? 34.407 17.138 5.164 1.00 30.54 ? 296 ARG A N 1 ATOM 2254 C CA . ARG A 1 296 ? 35.664 16.374 5.211 1.00 31.39 ? 296 ARG A CA 1 ATOM 2255 C C . ARG A 1 296 ? 36.478 16.944 6.344 1.00 35.56 ? 296 ARG A C 1 ATOM 2256 O O . ARG A 1 296 ? 36.657 18.161 6.439 1.00 35.66 ? 296 ARG A O 1 ATOM 2257 C CB . ARG A 1 296 ? 36.468 16.415 3.874 1.00 30.11 ? 296 ARG A CB 1 ATOM 2258 C CG . ARG A 1 296 ? 35.769 15.728 2.696 1.00 35.51 ? 296 ARG A CG 1 ATOM 2259 C CD . ARG A 1 296 ? 35.545 14.216 2.878 1.00 35.64 ? 296 ARG A CD 1 ATOM 2260 N NE . ARG A 1 296 ? 34.920 13.644 1.680 1.00 39.99 ? 296 ARG A NE 1 ATOM 2261 C CZ . ARG A 1 296 ? 33.610 13.528 1.480 1.00 41.48 ? 296 ARG A CZ 1 ATOM 2262 N NH1 . ARG A 1 296 ? 32.755 13.912 2.410 1.00 33.40 ? 296 ARG A NH1 1 ATOM 2263 N NH2 . ARG A 1 296 ? 33.148 13.027 0.339 1.00 31.08 ? 296 ARG A NH2 1 ATOM 2264 N N . PHE A 1 297 ? 36.952 16.056 7.220 1.00 30.69 ? 297 PHE A N 1 ATOM 2265 C CA . PHE A 1 297 ? 37.673 16.422 8.425 1.00 30.41 ? 297 PHE A CA 1 ATOM 2266 C C . PHE A 1 297 ? 39.036 15.745 8.406 1.00 35.88 ? 297 PHE A C 1 ATOM 2267 O O . PHE A 1 297 ? 39.171 14.590 7.981 1.00 35.20 ? 297 PHE A O 1 ATOM 2268 C CB . PHE A 1 297 ? 36.818 16.073 9.667 1.00 31.28 ? 297 PHE A CB 1 ATOM 2269 C CG . PHE A 1 297 ? 35.344 16.370 9.433 1.00 31.89 ? 297 PHE A CG 1 ATOM 2270 C CD1 . PHE A 1 297 ? 34.878 17.692 9.381 1.00 32.60 ? 297 PHE A CD1 1 ATOM 2271 C CD2 . PHE A 1 297 ? 34.437 15.338 9.187 1.00 32.65 ? 297 PHE A CD2 1 ATOM 2272 C CE1 . PHE A 1 297 ? 33.524 17.969 9.129 1.00 31.92 ? 297 PHE A CE1 1 ATOM 2273 C CE2 . PHE A 1 297 ? 33.083 15.616 8.932 1.00 34.11 ? 297 PHE A CE2 1 ATOM 2274 C CZ . PHE A 1 297 ? 32.636 16.929 8.918 1.00 31.87 ? 297 PHE A CZ 1 ATOM 2275 N N . SER A 1 298 ? 40.049 16.517 8.776 1.00 32.59 ? 298 SER A N 1 ATOM 2276 C CA . SER A 1 298 ? 41.450 16.132 8.701 1.00 34.04 ? 298 SER A CA 1 ATOM 2277 C C . SER A 1 298 ? 41.856 14.891 9.510 1.00 36.57 ? 298 SER A C 1 ATOM 2278 O O . SER A 1 298 ? 42.535 14.014 8.987 1.00 36.81 ? 298 SER A O 1 ATOM 2279 C CB . SER A 1 298 ? 42.312 17.322 9.096 1.00 37.53 ? 298 SER A CB 1 ATOM 2280 O OG . SER A 1 298 ? 42.239 18.310 8.078 1.00 40.54 ? 298 SER A OG 1 ATOM 2281 N N . PHE A 1 299 ? 41.467 14.834 10.776 1.00 33.20 ? 299 PHE A N 1 ATOM 2282 C CA . PHE A 1 299 ? 41.890 13.773 11.688 1.00 31.89 ? 299 PHE A CA 1 ATOM 2283 C C . PHE A 1 299 ? 40.676 13.042 12.217 1.00 35.06 ? 299 PHE A C 1 ATOM 2284 O O . PHE A 1 299 ? 39.920 13.551 13.035 1.00 34.39 ? 299 PHE A O 1 ATOM 2285 C CB . PHE A 1 299 ? 42.801 14.360 12.786 1.00 32.05 ? 299 PHE A CB 1 ATOM 2286 C CG . PHE A 1 299 ? 44.067 14.909 12.165 1.00 32.16 ? 299 PHE A CG 1 ATOM 2287 C CD1 . PHE A 1 299 ? 45.141 14.075 11.883 1.00 34.36 ? 299 PHE A CD1 1 ATOM 2288 C CD2 . PHE A 1 299 ? 44.165 16.249 11.812 1.00 31.45 ? 299 PHE A CD2 1 ATOM 2289 C CE1 . PHE A 1 299 ? 46.293 14.572 11.256 1.00 34.72 ? 299 PHE A CE1 1 ATOM 2290 C CE2 . PHE A 1 299 ? 45.309 16.743 11.171 1.00 34.30 ? 299 PHE A CE2 1 ATOM 2291 C CZ . PHE A 1 299 ? 46.381 15.906 10.928 1.00 32.96 ? 299 PHE A CZ 1 ATOM 2292 N N . VAL A 1 300 ? 40.450 11.872 11.651 1.00 33.41 ? 300 VAL A N 1 ATOM 2293 C CA . VAL A 1 300 ? 39.278 11.040 11.938 1.00 31.51 ? 300 VAL A CA 1 ATOM 2294 C C . VAL A 1 300 ? 39.704 9.592 12.215 1.00 34.74 ? 300 VAL A C 1 ATOM 2295 O O . VAL A 1 300 ? 40.848 9.251 11.956 1.00 34.94 ? 300 VAL A O 1 ATOM 2296 C CB . VAL A 1 300 ? 38.284 11.104 10.729 1.00 32.94 ? 300 VAL A CB 1 ATOM 2297 C CG1 . VAL A 1 300 ? 37.769 12.525 10.490 1.00 31.37 ? 300 VAL A CG1 1 ATOM 2298 C CG2 . VAL A 1 300 ? 38.898 10.518 9.447 1.00 33.10 ? 300 VAL A CG2 1 ATOM 2299 N N . PRO A 1 301 ? 38.785 8.693 12.625 1.00 32.09 ? 301 PRO A N 1 ATOM 2300 C CA . PRO A 1 301 ? 39.169 7.282 12.790 1.00 32.33 ? 301 PRO A CA 1 ATOM 2301 C C . PRO A 1 301 ? 39.879 6.716 11.563 1.00 36.83 ? 301 PRO A C 1 ATOM 2302 O O . PRO A 1 301 ? 39.576 7.072 10.422 1.00 35.69 ? 301 PRO A O 1 ATOM 2303 C CB . PRO A 1 301 ? 37.828 6.592 13.046 1.00 33.18 ? 301 PRO A CB 1 ATOM 2304 C CG . PRO A 1 301 ? 37.040 7.653 13.811 1.00 35.67 ? 301 PRO A CG 1 ATOM 2305 C CD . PRO A 1 301 ? 37.390 8.921 13.071 1.00 31.89 ? 301 PRO A CD 1 ATOM 2306 N N . VAL A 1 302 ? 40.873 5.877 11.810 1.00 35.31 ? 302 VAL A N 1 ATOM 2307 C CA . VAL A 1 302 ? 41.694 5.273 10.769 1.00 35.94 ? 302 VAL A CA 1 ATOM 2308 C C . VAL A 1 302 ? 41.414 3.747 10.679 1.00 43.09 ? 302 VAL A C 1 ATOM 2309 O O . VAL A 1 302 ? 41.195 3.100 11.711 1.00 41.63 ? 302 VAL A O 1 ATOM 2310 C CB . VAL A 1 302 ? 43.207 5.604 10.993 1.00 37.83 ? 302 VAL A CB 1 ATOM 2311 C CG1 . VAL A 1 302 ? 43.719 5.098 12.345 1.00 36.77 ? 302 VAL A CG1 1 ATOM 2312 C CG2 . VAL A 1 302 ? 44.068 5.057 9.859 1.00 38.58 ? 302 VAL A CG2 1 ATOM 2313 N N . VAL A 1 303 ? 41.400 3.186 9.450 1.00 41.48 ? 303 VAL A N 1 ATOM 2314 C CA . VAL A 1 303 ? 41.241 1.735 9.287 1.00 42.11 ? 303 VAL A CA 1 ATOM 2315 C C . VAL A 1 303 ? 42.651 1.197 9.592 1.00 46.21 ? 303 VAL A C 1 ATOM 2316 O O . VAL A 1 303 ? 43.542 1.196 8.740 1.00 46.31 ? 303 VAL A O 1 ATOM 2317 C CB . VAL A 1 303 ? 40.695 1.320 7.894 1.00 46.86 ? 303 VAL A CB 1 ATOM 2318 C CG1 . VAL A 1 303 ? 40.570 -0.199 7.792 1.00 47.31 ? 303 VAL A CG1 1 ATOM 2319 C CG2 . VAL A 1 303 ? 39.358 1.999 7.601 1.00 45.14 ? 303 VAL A CG2 1 ATOM 2320 N N . ASP A 1 304 ? 42.865 0.872 10.869 1.00 42.77 ? 304 ASP A N 1 ATOM 2321 C CA . ASP A 1 304 ? 44.153 0.462 11.420 1.00 43.34 ? 304 ASP A CA 1 ATOM 2322 C C . ASP A 1 304 ? 44.436 -1.038 11.415 1.00 50.49 ? 304 ASP A C 1 ATOM 2323 O O . ASP A 1 304 ? 45.589 -1.429 11.623 1.00 50.94 ? 304 ASP A O 1 ATOM 2324 C CB . ASP A 1 304 ? 44.281 0.993 12.868 1.00 43.52 ? 304 ASP A CB 1 ATOM 2325 C CG . ASP A 1 304 ? 43.176 0.566 13.831 1.00 46.78 ? 304 ASP A CG 1 ATOM 2326 O OD1 . ASP A 1 304 ? 42.128 0.055 13.362 1.00 47.11 ? 304 ASP A OD1 1 ATOM 2327 O OD2 . ASP A 1 304 ? 43.325 0.809 15.040 1.00 46.73 ? 304 ASP A OD2 1 ATOM 2328 N N . GLY A 1 305 ? 43.401 -1.855 11.236 1.00 47.54 ? 305 GLY A N 1 ATOM 2329 C CA . GLY A 1 305 ? 43.535 -3.305 11.301 1.00 49.74 ? 305 GLY A CA 1 ATOM 2330 C C . GLY A 1 305 ? 43.534 -3.764 12.753 1.00 54.92 ? 305 GLY A C 1 ATOM 2331 O O . GLY A 1 305 ? 43.807 -4.930 13.035 1.00 56.24 ? 305 GLY A O 1 ATOM 2332 N N . ASP A 1 306 ? 43.221 -2.842 13.689 1.00 49.99 ? 306 ASP A N 1 ATOM 2333 C CA . ASP A 1 306 ? 43.191 -3.099 15.127 1.00 48.34 ? 306 ASP A CA 1 ATOM 2334 C C . ASP A 1 306 ? 41.803 -2.739 15.694 1.00 49.69 ? 306 ASP A C 1 ATOM 2335 O O . ASP A 1 306 ? 40.957 -3.635 15.758 1.00 48.79 ? 306 ASP A O 1 ATOM 2336 C CB . ASP A 1 306 ? 44.355 -2.377 15.847 1.00 49.16 ? 306 ASP A CB 1 ATOM 2337 C CG . ASP A 1 306 ? 44.427 -2.632 17.348 1.00 53.52 ? 306 ASP A CG 1 ATOM 2338 O OD1 . ASP A 1 306 ? 43.859 -3.645 17.812 1.00 52.79 ? 306 ASP A OD1 1 ATOM 2339 O OD2 . ASP A 1 306 ? 45.085 -1.843 18.049 1.00 60.79 ? 306 ASP A OD2 1 ATOM 2340 N N . PHE A 1 307 ? 41.546 -1.448 16.061 1.00 43.67 ? 307 PHE A N 1 ATOM 2341 C CA . PHE A 1 307 ? 40.205 -1.018 16.508 1.00 42.02 ? 307 PHE A CA 1 ATOM 2342 C C . PHE A 1 307 ? 39.209 -1.371 15.360 1.00 46.60 ? 307 PHE A C 1 ATOM 2343 O O . PHE A 1 307 ? 38.147 -1.945 15.604 1.00 46.06 ? 307 PHE A O 1 ATOM 2344 C CB . PHE A 1 307 ? 40.159 0.505 16.818 1.00 41.77 ? 307 PHE A CB 1 ATOM 2345 C CG . PHE A 1 307 ? 38.933 0.949 17.592 1.00 41.30 ? 307 PHE A CG 1 ATOM 2346 C CD1 . PHE A 1 307 ? 37.700 1.096 16.957 1.00 42.92 ? 307 PHE A CD1 1 ATOM 2347 C CD2 . PHE A 1 307 ? 39.021 1.270 18.946 1.00 42.13 ? 307 PHE A CD2 1 ATOM 2348 C CE1 . PHE A 1 307 ? 36.560 1.474 17.678 1.00 42.54 ? 307 PHE A CE1 1 ATOM 2349 C CE2 . PHE A 1 307 ? 37.886 1.687 19.661 1.00 43.64 ? 307 PHE A CE2 1 ATOM 2350 C CZ . PHE A 1 307 ? 36.660 1.766 19.028 1.00 41.21 ? 307 PHE A CZ 1 ATOM 2351 N N . LEU A 1 308 ? 39.576 -1.046 14.116 1.00 42.69 ? 308 LEU A N 1 ATOM 2352 C CA . LEU A 1 308 ? 38.774 -1.388 12.950 1.00 42.92 ? 308 LEU A CA 1 ATOM 2353 C C . LEU A 1 308 ? 39.573 -2.431 12.179 1.00 47.73 ? 308 LEU A C 1 ATOM 2354 O O . LEU A 1 308 ? 40.584 -2.090 11.584 1.00 48.51 ? 308 LEU A O 1 ATOM 2355 C CB . LEU A 1 308 ? 38.485 -0.155 12.063 1.00 42.07 ? 308 LEU A CB 1 ATOM 2356 C CG . LEU A 1 308 ? 37.601 0.959 12.639 1.00 44.32 ? 308 LEU A CG 1 ATOM 2357 C CD1 . LEU A 1 308 ? 37.475 2.113 11.629 1.00 41.40 ? 308 LEU A CD1 1 ATOM 2358 C CD2 . LEU A 1 308 ? 36.192 0.426 13.051 1.00 44.94 ? 308 LEU A CD2 1 ATOM 2359 N N . SER A 1 309 ? 39.148 -3.701 12.236 1.00 44.94 ? 309 SER A N 1 ATOM 2360 C CA . SER A 1 309 ? 39.834 -4.836 11.605 1.00 46.73 ? 309 SER A CA 1 ATOM 2361 C C . SER A 1 309 ? 39.829 -4.770 10.081 1.00 50.88 ? 309 SER A C 1 ATOM 2362 O O . SER A 1 309 ? 40.696 -5.352 9.427 1.00 51.60 ? 309 SER A O 1 ATOM 2363 C CB . SER A 1 309 ? 39.251 -6.162 12.098 1.00 50.83 ? 309 SER A CB 1 ATOM 2364 O OG . SER A 1 309 ? 37.881 -6.286 11.750 1.00 56.88 ? 309 SER A OG 1 ATOM 2365 N N . ASP A 1 310 ? 38.865 -4.036 9.522 1.00 46.26 ? 310 ASP A N 1 ATOM 2366 C CA . ASP A 1 310 ? 38.715 -3.798 8.084 1.00 45.41 ? 310 ASP A CA 1 ATOM 2367 C C . ASP A 1 310 ? 37.927 -2.485 7.959 1.00 47.20 ? 310 ASP A C 1 ATOM 2368 O O . ASP A 1 310 ? 37.589 -1.868 8.973 1.00 44.83 ? 310 ASP A O 1 ATOM 2369 C CB . ASP A 1 310 ? 37.945 -4.963 7.423 1.00 47.49 ? 310 ASP A CB 1 ATOM 2370 C CG . ASP A 1 310 ? 38.265 -5.210 5.953 1.00 59.23 ? 310 ASP A CG 1 ATOM 2371 O OD1 . ASP A 1 310 ? 38.605 -4.235 5.240 1.00 58.01 ? 310 ASP A OD1 1 ATOM 2372 O OD2 . ASP A 1 310 ? 38.106 -6.362 5.500 1.00 68.80 ? 310 ASP A OD2 1 ATOM 2373 N N . THR A 1 311 ? 37.651 -2.046 6.737 1.00 44.34 ? 311 THR A N 1 ATOM 2374 C CA . THR A 1 311 ? 36.888 -0.826 6.512 1.00 42.51 ? 311 THR A CA 1 ATOM 2375 C C . THR A 1 311 ? 35.456 -1.016 7.067 1.00 47.35 ? 311 THR A C 1 ATOM 2376 O O . THR A 1 311 ? 34.938 -2.138 7.002 1.00 48.22 ? 311 THR A O 1 ATOM 2377 C CB . THR A 1 311 ? 36.784 -0.532 5.008 1.00 49.07 ? 311 THR A CB 1 ATOM 2378 O OG1 . THR A 1 311 ? 35.960 -1.533 4.419 1.00 51.79 ? 311 THR A OG1 1 ATOM 2379 C CG2 . THR A 1 311 ? 38.142 -0.444 4.307 1.00 44.87 ? 311 THR A CG2 1 ATOM 2380 N N . PRO A 1 312 ? 34.775 0.045 7.558 1.00 43.16 ? 312 PRO A N 1 ATOM 2381 C CA . PRO A 1 312 ? 33.374 -0.127 7.996 1.00 42.82 ? 312 PRO A CA 1 ATOM 2382 C C . PRO A 1 312 ? 32.478 -0.738 6.905 1.00 49.23 ? 312 PRO A C 1 ATOM 2383 O O . PRO A 1 312 ? 31.609 -1.533 7.244 1.00 48.81 ? 312 PRO A O 1 ATOM 2384 C CB . PRO A 1 312 ? 32.956 1.286 8.374 1.00 42.04 ? 312 PRO A CB 1 ATOM 2385 C CG . PRO A 1 312 ? 34.236 1.930 8.800 1.00 45.45 ? 312 PRO A CG 1 ATOM 2386 C CD . PRO A 1 312 ? 35.228 1.431 7.784 1.00 42.19 ? 312 PRO A CD 1 ATOM 2387 N N . GLU A 1 313 ? 32.720 -0.404 5.606 1.00 48.47 ? 313 GLU A N 1 ATOM 2388 C CA A GLU A 1 313 ? 31.972 -0.958 4.466 0.50 49.49 ? 313 GLU A CA 1 ATOM 2389 C CA B GLU A 1 313 ? 31.971 -0.945 4.473 0.50 49.65 ? 313 GLU A CA 1 ATOM 2390 C C . GLU A 1 313 ? 32.043 -2.485 4.488 1.00 55.23 ? 313 GLU A C 1 ATOM 2391 O O . GLU A 1 313 ? 31.010 -3.142 4.407 1.00 56.45 ? 313 GLU A O 1 ATOM 2392 C CB A GLU A 1 313 ? 32.513 -0.427 3.119 0.50 51.15 ? 313 GLU A CB 1 ATOM 2393 C CB B GLU A 1 313 ? 32.532 -0.375 3.153 0.50 51.41 ? 313 GLU A CB 1 ATOM 2394 C CG A GLU A 1 313 ? 31.732 -0.915 1.906 0.50 59.57 ? 313 GLU A CG 1 ATOM 2395 C CG B GLU A 1 313 ? 31.529 0.381 2.291 0.50 60.57 ? 313 GLU A CG 1 ATOM 2396 C CD A GLU A 1 313 ? 32.433 -0.764 0.571 0.50 85.45 ? 313 GLU A CD 1 ATOM 2397 C CD B GLU A 1 313 ? 30.955 1.693 2.805 0.50 71.11 ? 313 GLU A CD 1 ATOM 2398 O OE1 A GLU A 1 313 ? 32.327 0.324 -0.040 0.50 90.67 ? 313 GLU A OE1 1 ATOM 2399 O OE1 B GLU A 1 313 ? 29.728 1.878 2.638 0.50 61.16 ? 313 GLU A OE1 1 ATOM 2400 O OE2 A GLU A 1 313 ? 33.064 -1.745 0.119 0.50 80.72 ? 313 GLU A OE2 1 ATOM 2401 O OE2 B GLU A 1 313 ? 31.718 2.552 3.312 0.50 49.02 ? 313 GLU A OE2 1 ATOM 2402 N N . ALA A 1 314 ? 33.262 -3.050 4.633 1.00 52.75 ? 314 ALA A N 1 ATOM 2403 C CA . ALA A 1 314 ? 33.483 -4.497 4.672 1.00 53.74 ? 314 ALA A CA 1 ATOM 2404 C C . ALA A 1 314 ? 32.899 -5.126 5.930 1.00 56.26 ? 314 ALA A C 1 ATOM 2405 O O . ALA A 1 314 ? 32.363 -6.228 5.871 1.00 57.34 ? 314 ALA A O 1 ATOM 2406 C CB . ALA A 1 314 ? 34.975 -4.811 4.561 1.00 55.06 ? 314 ALA A CB 1 ATOM 2407 N N . LEU A 1 315 ? 33.010 -4.435 7.073 1.00 51.79 ? 315 LEU A N 1 ATOM 2408 C CA . LEU A 1 315 ? 32.491 -4.935 8.352 1.00 49.80 ? 315 LEU A CA 1 ATOM 2409 C C . LEU A 1 315 ? 30.954 -4.908 8.413 1.00 53.35 ? 315 LEU A C 1 ATOM 2410 O O . LEU A 1 315 ? 30.376 -5.803 9.008 1.00 54.16 ? 315 LEU A O 1 ATOM 2411 C CB . LEU A 1 315 ? 33.136 -4.221 9.567 1.00 48.23 ? 315 LEU A CB 1 ATOM 2412 C CG . LEU A 1 315 ? 34.663 -4.329 9.705 1.00 52.44 ? 315 LEU A CG 1 ATOM 2413 C CD1 . LEU A 1 315 ? 35.179 -3.455 10.832 1.00 50.98 ? 315 LEU A CD1 1 ATOM 2414 C CD2 . LEU A 1 315 ? 35.118 -5.781 9.890 1.00 52.25 ? 315 LEU A CD2 1 ATOM 2415 N N . ILE A 1 316 ? 30.287 -3.926 7.781 1.00 50.44 ? 316 ILE A N 1 ATOM 2416 C CA . ILE A 1 316 ? 28.818 -3.907 7.777 1.00 51.83 ? 316 ILE A CA 1 ATOM 2417 C C . ILE A 1 316 ? 28.241 -4.963 6.799 1.00 63.87 ? 316 ILE A C 1 ATOM 2418 O O . ILE A 1 316 ? 27.122 -5.430 7.022 1.00 65.62 ? 316 ILE A O 1 ATOM 2419 C CB . ILE A 1 316 ? 28.157 -2.510 7.595 1.00 52.88 ? 316 ILE A CB 1 ATOM 2420 C CG1 . ILE A 1 316 ? 28.253 -1.996 6.137 1.00 53.45 ? 316 ILE A CG1 1 ATOM 2421 C CG2 . ILE A 1 316 ? 28.715 -1.495 8.624 1.00 50.95 ? 316 ILE A CG2 1 ATOM 2422 C CD1 . ILE A 1 316 ? 27.349 -0.708 5.776 1.00 52.09 ? 316 ILE A CD1 1 ATOM 2423 N N . ASN A 1 317 ? 28.999 -5.338 5.737 1.00 63.19 ? 317 ASN A N 1 ATOM 2424 C CA . ASN A 1 317 ? 28.568 -6.338 4.750 1.00 64.96 ? 317 ASN A CA 1 ATOM 2425 C C . ASN A 1 317 ? 28.722 -7.769 5.257 1.00 71.52 ? 317 ASN A C 1 ATOM 2426 O O . ASN A 1 317 ? 27.899 -8.614 4.916 1.00 73.68 ? 317 ASN A O 1 ATOM 2427 C CB . ASN A 1 317 ? 29.333 -6.185 3.422 1.00 65.79 ? 317 ASN A CB 1 ATOM 2428 C CG . ASN A 1 317 ? 29.082 -4.914 2.647 1.00 89.12 ? 317 ASN A CG 1 ATOM 2429 O OD1 . ASN A 1 317 ? 28.130 -4.168 2.890 1.00 86.63 ? 317 ASN A OD1 1 ATOM 2430 N ND2 . ASN A 1 317 ? 29.939 -4.645 1.669 1.00 81.82 ? 317 ASN A ND2 1 ATOM 2431 N N . THR A 1 318 ? 29.764 -8.047 6.060 1.00 67.82 ? 318 THR A N 1 ATOM 2432 C CA . THR A 1 318 ? 30.057 -9.394 6.559 1.00 68.85 ? 318 THR A CA 1 ATOM 2433 C C . THR A 1 318 ? 29.657 -9.660 8.010 1.00 73.09 ? 318 THR A C 1 ATOM 2434 O O . THR A 1 318 ? 29.711 -10.810 8.453 1.00 75.61 ? 318 THR A O 1 ATOM 2435 C CB . THR A 1 318 ? 31.543 -9.730 6.364 1.00 77.62 ? 318 THR A CB 1 ATOM 2436 O OG1 . THR A 1 318 ? 32.329 -8.893 7.214 1.00 77.54 ? 318 THR A OG1 1 ATOM 2437 C CG2 . THR A 1 318 ? 31.994 -9.615 4.911 1.00 75.80 ? 318 THR A CG2 1 ATOM 2438 N N . GLY A 1 319 ? 29.305 -8.617 8.747 1.00 66.83 ? 319 GLY A N 1 ATOM 2439 C CA . GLY A 1 319 ? 28.951 -8.748 10.155 1.00 65.96 ? 319 GLY A CA 1 ATOM 2440 C C . GLY A 1 319 ? 27.653 -9.481 10.457 1.00 69.21 ? 319 GLY A C 1 ATOM 2441 O O . GLY A 1 319 ? 26.699 -9.439 9.672 1.00 68.41 ? 319 GLY A O 1 ATOM 2442 N N . ASP A 1 320 ? 27.615 -10.149 11.615 1.00 65.94 ? 320 ASP A N 1 ATOM 2443 C CA . ASP A 1 320 ? 26.431 -10.838 12.131 1.00 66.40 ? 320 ASP A CA 1 ATOM 2444 C C . ASP A 1 320 ? 25.875 -9.913 13.220 1.00 66.68 ? 320 ASP A C 1 ATOM 2445 O O . ASP A 1 320 ? 26.542 -9.688 14.231 1.00 65.66 ? 320 ASP A O 1 ATOM 2446 C CB . ASP A 1 320 ? 26.798 -12.233 12.693 1.00 69.90 ? 320 ASP A CB 1 ATOM 2447 C CG . ASP A 1 320 ? 25.651 -13.023 13.307 1.00 82.21 ? 320 ASP A CG 1 ATOM 2448 O OD1 . ASP A 1 320 ? 24.477 -12.687 13.027 1.00 82.62 ? 320 ASP A OD1 1 ATOM 2449 O OD2 . ASP A 1 320 ? 25.929 -14.002 14.037 1.00 90.58 ? 320 ASP A OD2 1 ATOM 2450 N N . PHE A 1 321 ? 24.683 -9.333 12.983 1.00 61.68 ? 321 PHE A N 1 ATOM 2451 C CA . PHE A 1 321 ? 24.088 -8.361 13.911 1.00 59.84 ? 321 PHE A CA 1 ATOM 2452 C C . PHE A 1 321 ? 22.789 -8.841 14.568 1.00 67.52 ? 321 PHE A C 1 ATOM 2453 O O . PHE A 1 321 ? 22.012 -8.017 15.040 1.00 66.46 ? 321 PHE A O 1 ATOM 2454 C CB . PHE A 1 321 ? 23.897 -7.009 13.192 1.00 59.01 ? 321 PHE A CB 1 ATOM 2455 C CG . PHE A 1 321 ? 25.164 -6.454 12.588 1.00 58.14 ? 321 PHE A CG 1 ATOM 2456 C CD1 . PHE A 1 321 ? 26.170 -5.926 13.398 1.00 58.91 ? 321 PHE A CD1 1 ATOM 2457 C CD2 . PHE A 1 321 ? 25.362 -6.473 11.211 1.00 59.95 ? 321 PHE A CD2 1 ATOM 2458 C CE1 . PHE A 1 321 ? 27.344 -5.414 12.842 1.00 59.36 ? 321 PHE A CE1 1 ATOM 2459 C CE2 . PHE A 1 321 ? 26.532 -5.953 10.653 1.00 61.80 ? 321 PHE A CE2 1 ATOM 2460 C CZ . PHE A 1 321 ? 27.515 -5.424 11.472 1.00 58.79 ? 321 PHE A CZ 1 ATOM 2461 N N . GLN A 1 322 ? 22.587 -10.170 14.655 1.00 68.17 ? 322 GLN A N 1 ATOM 2462 C CA . GLN A 1 322 ? 21.396 -10.811 15.232 1.00 69.77 ? 322 GLN A CA 1 ATOM 2463 C C . GLN A 1 322 ? 21.006 -10.343 16.644 1.00 73.92 ? 322 GLN A C 1 ATOM 2464 O O . GLN A 1 322 ? 19.821 -10.159 16.928 1.00 74.85 ? 322 GLN A O 1 ATOM 2465 C CB . GLN A 1 322 ? 21.546 -12.340 15.208 1.00 72.90 ? 322 GLN A CB 1 ATOM 2466 C CG . GLN A 1 322 ? 21.220 -12.953 13.853 1.00 96.53 ? 322 GLN A CG 1 ATOM 2467 C CD . GLN A 1 322 ? 21.248 -14.461 13.883 1.00 125.47 ? 322 GLN A CD 1 ATOM 2468 O OE1 . GLN A 1 322 ? 20.215 -15.124 13.740 1.00 124.63 ? 322 GLN A OE1 1 ATOM 2469 N NE2 . GLN A 1 322 ? 22.432 -15.040 14.060 1.00 117.78 ? 322 GLN A NE2 1 ATOM 2470 N N . ASP A 1 323 ? 21.994 -10.125 17.505 1.00 69.34 ? 323 ASP A N 1 ATOM 2471 C CA . ASP A 1 323 ? 21.801 -9.729 18.908 1.00 69.45 ? 323 ASP A CA 1 ATOM 2472 C C . ASP A 1 323 ? 21.588 -8.210 19.130 1.00 69.48 ? 323 ASP A C 1 ATOM 2473 O O . ASP A 1 323 ? 21.528 -7.759 20.276 1.00 68.65 ? 323 ASP A O 1 ATOM 2474 C CB . ASP A 1 323 ? 23.050 -10.186 19.708 1.00 72.51 ? 323 ASP A CB 1 ATOM 2475 C CG . ASP A 1 323 ? 24.355 -9.495 19.282 1.00 90.76 ? 323 ASP A CG 1 ATOM 2476 O OD1 . ASP A 1 323 ? 24.599 -9.368 18.046 1.00 91.75 ? 323 ASP A OD1 1 ATOM 2477 O OD2 . ASP A 1 323 ? 25.136 -9.095 20.178 1.00 99.66 ? 323 ASP A OD2 1 ATOM 2478 N N . LEU A 1 324 ? 21.506 -7.433 18.050 1.00 63.42 ? 324 LEU A N 1 ATOM 2479 C CA . LEU A 1 324 ? 21.483 -5.984 18.129 1.00 60.18 ? 324 LEU A CA 1 ATOM 2480 C C . LEU A 1 324 ? 20.188 -5.303 17.739 1.00 56.78 ? 324 LEU A C 1 ATOM 2481 O O . LEU A 1 324 ? 19.579 -5.646 16.724 1.00 56.07 ? 324 LEU A O 1 ATOM 2482 C CB . LEU A 1 324 ? 22.618 -5.496 17.222 1.00 60.04 ? 324 LEU A CB 1 ATOM 2483 C CG . LEU A 1 324 ? 23.156 -4.094 17.400 1.00 64.09 ? 324 LEU A CG 1 ATOM 2484 C CD1 . LEU A 1 324 ? 23.774 -3.886 18.798 1.00 64.18 ? 324 LEU A CD1 1 ATOM 2485 C CD2 . LEU A 1 324 ? 24.159 -3.813 16.326 1.00 66.76 ? 324 LEU A CD2 1 ATOM 2486 N N . GLN A 1 325 ? 19.823 -4.278 18.522 1.00 49.17 ? 325 GLN A N 1 ATOM 2487 C CA . GLN A 1 325 ? 18.697 -3.379 18.273 1.00 46.74 ? 325 GLN A CA 1 ATOM 2488 C C . GLN A 1 325 ? 19.288 -2.013 18.034 1.00 46.04 ? 325 GLN A C 1 ATOM 2489 O O . GLN A 1 325 ? 20.096 -1.531 18.838 1.00 42.84 ? 325 GLN A O 1 ATOM 2490 C CB . GLN A 1 325 ? 17.680 -3.335 19.411 1.00 47.29 ? 325 GLN A CB 1 ATOM 2491 C CG . GLN A 1 325 ? 16.935 -4.635 19.624 1.00 57.26 ? 325 GLN A CG 1 ATOM 2492 C CD . GLN A 1 325 ? 17.372 -5.223 20.926 1.00 74.28 ? 325 GLN A CD 1 ATOM 2493 O OE1 . GLN A 1 325 ? 17.185 -4.634 21.990 1.00 62.98 ? 325 GLN A OE1 1 ATOM 2494 N NE2 . GLN A 1 325 ? 18.065 -6.340 20.857 1.00 77.36 ? 325 GLN A NE2 1 ATOM 2495 N N . VAL A 1 326 ? 18.911 -1.403 16.907 1.00 42.39 ? 326 VAL A N 1 ATOM 2496 C CA . VAL A 1 326 ? 19.453 -0.112 16.490 1.00 42.23 ? 326 VAL A CA 1 ATOM 2497 C C . VAL A 1 326 ? 18.322 0.856 16.083 1.00 44.47 ? 326 VAL A C 1 ATOM 2498 O O . VAL A 1 326 ? 17.386 0.466 15.398 1.00 44.54 ? 326 VAL A O 1 ATOM 2499 C CB . VAL A 1 326 ? 20.499 -0.312 15.328 1.00 47.17 ? 326 VAL A CB 1 ATOM 2500 C CG1 . VAL A 1 326 ? 21.014 0.999 14.806 1.00 47.22 ? 326 VAL A CG1 1 ATOM 2501 C CG2 . VAL A 1 326 ? 21.689 -1.142 15.767 1.00 46.86 ? 326 VAL A CG2 1 ATOM 2502 N N . LEU A 1 327 ? 18.442 2.116 16.500 1.00 40.45 ? 327 LEU A N 1 ATOM 2503 C CA . LEU A 1 327 ? 17.556 3.206 16.117 1.00 40.75 ? 327 LEU A CA 1 ATOM 2504 C C . LEU A 1 327 ? 18.441 4.150 15.270 1.00 40.90 ? 327 LEU A C 1 ATOM 2505 O O . LEU A 1 327 ? 19.542 4.512 15.696 1.00 39.01 ? 327 LEU A O 1 ATOM 2506 C CB . LEU A 1 327 ? 16.975 3.895 17.374 1.00 41.62 ? 327 LEU A CB 1 ATOM 2507 C CG . LEU A 1 327 ? 16.160 5.198 17.197 1.00 48.06 ? 327 LEU A CG 1 ATOM 2508 C CD1 . LEU A 1 327 ? 15.006 5.005 16.265 1.00 49.94 ? 327 LEU A CD1 1 ATOM 2509 C CD2 . LEU A 1 327 ? 15.614 5.674 18.539 1.00 52.54 ? 327 LEU A CD2 1 ATOM 2510 N N . VAL A 1 328 ? 18.034 4.423 14.029 1.00 38.10 ? 328 VAL A N 1 ATOM 2511 C CA . VAL A 1 328 ? 18.826 5.254 13.099 1.00 37.61 ? 328 VAL A CA 1 ATOM 2512 C C . VAL A 1 328 ? 17.944 6.311 12.447 1.00 39.89 ? 328 VAL A C 1 ATOM 2513 O O . VAL A 1 328 ? 16.777 6.060 12.170 1.00 39.77 ? 328 VAL A O 1 ATOM 2514 C CB . VAL A 1 328 ? 19.589 4.420 11.992 1.00 41.99 ? 328 VAL A CB 1 ATOM 2515 C CG1 . VAL A 1 328 ? 20.600 3.465 12.605 1.00 42.22 ? 328 VAL A CG1 1 ATOM 2516 C CG2 . VAL A 1 328 ? 18.630 3.650 11.077 1.00 42.50 ? 328 VAL A CG2 1 ATOM 2517 N N . GLY A 1 329 ? 18.522 7.447 12.115 1.00 34.93 ? 329 GLY A N 1 ATOM 2518 C CA . GLY A 1 329 ? 17.742 8.441 11.399 1.00 34.60 ? 329 GLY A CA 1 ATOM 2519 C C . GLY A 1 329 ? 18.510 9.639 10.938 1.00 35.89 ? 329 GLY A C 1 ATOM 2520 O O . GLY A 1 329 ? 19.716 9.743 11.170 1.00 35.65 ? 329 GLY A O 1 ATOM 2521 N N . VAL A 1 330 ? 17.794 10.537 10.268 1.00 33.28 ? 330 VAL A N 1 ATOM 2522 C CA . VAL A 1 330 ? 18.346 11.735 9.641 1.00 33.25 ? 330 VAL A CA 1 ATOM 2523 C C . VAL A 1 330 ? 17.441 12.930 9.901 1.00 36.28 ? 330 VAL A C 1 ATOM 2524 O O . VAL A 1 330 ? 16.277 12.751 10.223 1.00 35.84 ? 330 VAL A O 1 ATOM 2525 C CB . VAL A 1 330 ? 18.544 11.521 8.096 1.00 36.96 ? 330 VAL A CB 1 ATOM 2526 C CG1 . VAL A 1 330 ? 19.527 10.391 7.804 1.00 36.44 ? 330 VAL A CG1 1 ATOM 2527 C CG2 . VAL A 1 330 ? 17.215 11.278 7.370 1.00 37.21 ? 330 VAL A CG2 1 ATOM 2528 N N . VAL A 1 331 ? 17.976 14.148 9.743 1.00 33.78 ? 331 VAL A N 1 ATOM 2529 C CA . VAL A 1 331 ? 17.175 15.376 9.809 1.00 33.18 ? 331 VAL A CA 1 ATOM 2530 C C . VAL A 1 331 ? 16.819 15.717 8.361 1.00 38.31 ? 331 VAL A C 1 ATOM 2531 O O . VAL A 1 331 ? 17.433 15.168 7.438 1.00 37.08 ? 331 VAL A O 1 ATOM 2532 C CB . VAL A 1 331 ? 17.851 16.558 10.549 1.00 33.03 ? 331 VAL A CB 1 ATOM 2533 C CG1 . VAL A 1 331 ? 18.081 16.214 12.018 1.00 31.32 ? 331 VAL A CG1 1 ATOM 2534 C CG2 . VAL A 1 331 ? 19.138 17.007 9.848 1.00 30.94 ? 331 VAL A CG2 1 ATOM 2535 N N . LYS A 1 332 ? 15.852 16.614 8.158 1.00 37.20 ? 332 LYS A N 1 ATOM 2536 C CA . LYS A 1 332 ? 15.381 16.995 6.821 1.00 37.17 ? 332 LYS A CA 1 ATOM 2537 C C . LYS A 1 332 ? 16.483 17.630 5.928 1.00 41.98 ? 332 LYS A C 1 ATOM 2538 O O . LYS A 1 332 ? 16.487 17.393 4.720 1.00 42.88 ? 332 LYS A O 1 ATOM 2539 C CB . LYS A 1 332 ? 14.171 17.935 6.971 1.00 38.56 ? 332 LYS A CB 1 ATOM 2540 C CG . LYS A 1 332 ? 13.314 18.137 5.711 1.00 48.58 ? 332 LYS A CG 1 ATOM 2541 C CD . LYS A 1 332 ? 12.072 18.958 6.109 1.00 50.44 ? 332 LYS A CD 1 ATOM 2542 C CE . LYS A 1 332 ? 11.927 20.279 5.406 1.00 63.32 ? 332 LYS A CE 1 ATOM 2543 N NZ . LYS A 1 332 ? 12.980 21.268 5.763 1.00 51.44 ? 332 LYS A NZ 1 ATOM 2544 N N . ASP A 1 333 ? 17.417 18.419 6.508 1.00 37.16 ? 333 ASP A N 1 ATOM 2545 C CA . ASP A 1 333 ? 18.439 19.121 5.704 1.00 35.39 ? 333 ASP A CA 1 ATOM 2546 C C . ASP A 1 333 ? 19.856 18.961 6.230 1.00 37.57 ? 333 ASP A C 1 ATOM 2547 O O . ASP A 1 333 ? 20.491 19.932 6.649 1.00 35.26 ? 333 ASP A O 1 ATOM 2548 C CB . ASP A 1 333 ? 18.074 20.608 5.548 1.00 36.74 ? 333 ASP A CB 1 ATOM 2549 C CG . ASP A 1 333 ? 16.653 20.828 5.074 1.00 40.08 ? 333 ASP A CG 1 ATOM 2550 O OD1 . ASP A 1 333 ? 15.732 20.801 5.926 1.00 39.79 ? 333 ASP A OD1 1 ATOM 2551 O OD2 . ASP A 1 333 ? 16.447 20.910 3.853 1.00 43.27 ? 333 ASP A OD2 1 ATOM 2552 N N . GLU A 1 334 ? 20.387 17.743 6.125 1.00 35.54 ? 334 GLU A N 1 ATOM 2553 C CA . GLU A 1 334 ? 21.725 17.378 6.620 1.00 34.57 ? 334 GLU A CA 1 ATOM 2554 C C . GLU A 1 334 ? 22.847 18.227 6.036 1.00 39.00 ? 334 GLU A C 1 ATOM 2555 O O . GLU A 1 334 ? 23.791 18.576 6.741 1.00 37.48 ? 334 GLU A O 1 ATOM 2556 C CB . GLU A 1 334 ? 22.022 15.897 6.298 1.00 35.31 ? 334 GLU A CB 1 ATOM 2557 C CG . GLU A 1 334 ? 21.152 14.906 7.044 1.00 39.93 ? 334 GLU A CG 1 ATOM 2558 C CD . GLU A 1 334 ? 21.421 14.759 8.531 1.00 48.15 ? 334 GLU A CD 1 ATOM 2559 O OE1 . GLU A 1 334 ? 22.369 15.387 9.057 1.00 39.09 ? 334 GLU A OE1 1 ATOM 2560 O OE2 . GLU A 1 334 ? 20.656 14.015 9.179 1.00 39.55 ? 334 GLU A OE2 1 ATOM 2561 N N . GLY A 1 335 ? 22.750 18.557 4.756 1.00 37.01 ? 335 GLY A N 1 ATOM 2562 C CA . GLY A 1 335 ? 23.838 19.281 4.131 1.00 37.56 ? 335 GLY A CA 1 ATOM 2563 C C . GLY A 1 335 ? 23.864 20.785 4.172 1.00 42.96 ? 335 GLY A C 1 ATOM 2564 O O . GLY A 1 335 ? 24.890 21.359 3.806 1.00 41.63 ? 335 GLY A O 1 ATOM 2565 N N . SER A 1 336 ? 22.764 21.438 4.580 1.00 42.05 ? 336 SER A N 1 ATOM 2566 C CA . SER A 1 336 ? 22.625 22.899 4.482 1.00 43.40 ? 336 SER A CA 1 ATOM 2567 C C . SER A 1 336 ? 23.700 23.724 5.240 1.00 46.37 ? 336 SER A C 1 ATOM 2568 O O . SER A 1 336 ? 24.200 24.685 4.656 1.00 47.07 ? 336 SER A O 1 ATOM 2569 C CB . SER A 1 336 ? 21.212 23.358 4.837 1.00 46.66 ? 336 SER A CB 1 ATOM 2570 O OG . SER A 1 336 ? 20.882 23.157 6.193 1.00 44.51 ? 336 SER A OG 1 ATOM 2571 N N . TYR A 1 337 ? 24.117 23.325 6.445 1.00 41.65 ? 337 TYR A N 1 ATOM 2572 C CA . TYR A 1 337 ? 25.174 24.040 7.189 1.00 40.63 ? 337 TYR A CA 1 ATOM 2573 C C . TYR A 1 337 ? 26.507 24.081 6.422 1.00 42.73 ? 337 TYR A C 1 ATOM 2574 O O . TYR A 1 337 ? 27.169 25.108 6.389 1.00 41.57 ? 337 TYR A O 1 ATOM 2575 C CB . TYR A 1 337 ? 25.402 23.445 8.612 1.00 41.02 ? 337 TYR A CB 1 ATOM 2576 C CG . TYR A 1 337 ? 26.736 23.847 9.227 1.00 43.13 ? 337 TYR A CG 1 ATOM 2577 C CD1 . TYR A 1 337 ? 27.002 25.175 9.564 1.00 46.48 ? 337 TYR A CD1 1 ATOM 2578 C CD2 . TYR A 1 337 ? 27.770 22.929 9.363 1.00 43.11 ? 337 TYR A CD2 1 ATOM 2579 C CE1 . TYR A 1 337 ? 28.250 25.568 10.056 1.00 46.92 ? 337 TYR A CE1 1 ATOM 2580 C CE2 . TYR A 1 337 ? 29.033 23.320 9.813 1.00 43.86 ? 337 TYR A CE2 1 ATOM 2581 C CZ . TYR A 1 337 ? 29.252 24.630 10.208 1.00 52.89 ? 337 TYR A CZ 1 ATOM 2582 O OH . TYR A 1 337 ? 30.472 25.019 10.715 1.00 58.94 ? 337 TYR A OH 1 ATOM 2583 N N . PHE A 1 338 ? 26.908 22.926 5.872 1.00 37.43 ? 338 PHE A N 1 ATOM 2584 C CA . PHE A 1 338 ? 28.156 22.706 5.170 1.00 36.02 ? 338 PHE A CA 1 ATOM 2585 C C . PHE A 1 338 ? 28.330 23.593 3.944 1.00 39.86 ? 338 PHE A C 1 ATOM 2586 O O . PHE A 1 338 ? 29.463 23.922 3.612 1.00 39.21 ? 338 PHE A O 1 ATOM 2587 C CB . PHE A 1 338 ? 28.314 21.215 4.849 1.00 36.58 ? 338 PHE A CB 1 ATOM 2588 C CG . PHE A 1 338 ? 28.351 20.409 6.135 1.00 37.48 ? 338 PHE A CG 1 ATOM 2589 C CD1 . PHE A 1 338 ? 29.538 20.270 6.857 1.00 39.05 ? 338 PHE A CD1 1 ATOM 2590 C CD2 . PHE A 1 338 ? 27.185 19.859 6.668 1.00 37.39 ? 338 PHE A CD2 1 ATOM 2591 C CE1 . PHE A 1 338 ? 29.565 19.557 8.065 1.00 39.88 ? 338 PHE A CE1 1 ATOM 2592 C CE2 . PHE A 1 338 ? 27.217 19.150 7.875 1.00 40.00 ? 338 PHE A CE2 1 ATOM 2593 C CZ . PHE A 1 338 ? 28.408 18.981 8.552 1.00 38.35 ? 338 PHE A CZ 1 ATOM 2594 N N . LEU A 1 339 ? 27.220 24.044 3.326 1.00 37.46 ? 339 LEU A N 1 ATOM 2595 C CA . LEU A 1 339 ? 27.243 24.927 2.157 1.00 38.48 ? 339 LEU A CA 1 ATOM 2596 C C . LEU A 1 339 ? 27.709 26.335 2.497 1.00 43.79 ? 339 LEU A C 1 ATOM 2597 O O . LEU A 1 339 ? 28.493 26.910 1.744 1.00 42.80 ? 339 LEU A O 1 ATOM 2598 C CB . LEU A 1 339 ? 25.865 24.991 1.490 1.00 38.92 ? 339 LEU A CB 1 ATOM 2599 C CG . LEU A 1 339 ? 25.263 23.668 1.007 1.00 42.62 ? 339 LEU A CG 1 ATOM 2600 C CD1 . LEU A 1 339 ? 23.946 23.909 0.381 1.00 41.83 ? 339 LEU A CD1 1 ATOM 2601 C CD2 . LEU A 1 339 ? 26.171 22.970 0.019 1.00 44.90 ? 339 LEU A CD2 1 ATOM 2602 N N . VAL A 1 340 ? 27.241 26.888 3.639 1.00 43.61 ? 340 VAL A N 1 ATOM 2603 C CA . VAL A 1 340 ? 27.630 28.243 4.056 1.00 45.68 ? 340 VAL A CA 1 ATOM 2604 C C . VAL A 1 340 ? 29.108 28.282 4.472 1.00 53.15 ? 340 VAL A C 1 ATOM 2605 O O . VAL A 1 340 ? 29.755 29.305 4.307 1.00 54.92 ? 340 VAL A O 1 ATOM 2606 C CB . VAL A 1 340 ? 26.683 28.903 5.098 1.00 50.24 ? 340 VAL A CB 1 ATOM 2607 C CG1 . VAL A 1 340 ? 25.239 28.892 4.606 1.00 50.98 ? 340 VAL A CG1 1 ATOM 2608 C CG2 . VAL A 1 340 ? 26.781 28.258 6.474 1.00 49.59 ? 340 VAL A CG2 1 ATOM 2609 N N . TYR A 1 341 ? 29.651 27.145 4.909 1.00 52.28 ? 341 TYR A N 1 ATOM 2610 C CA . TYR A 1 341 ? 31.038 27.027 5.332 1.00 54.44 ? 341 TYR A CA 1 ATOM 2611 C C . TYR A 1 341 ? 32.057 27.034 4.180 1.00 62.48 ? 341 TYR A C 1 ATOM 2612 O O . TYR A 1 341 ? 33.135 27.593 4.367 1.00 66.57 ? 341 TYR A O 1 ATOM 2613 C CB . TYR A 1 341 ? 31.227 25.795 6.227 1.00 54.69 ? 341 TYR A CB 1 ATOM 2614 N N . GLY A 1 342 ? 31.738 26.446 3.022 1.00 56.24 ? 342 GLY A N 1 ATOM 2615 C CA . GLY A 1 342 ? 32.710 26.402 1.933 1.00 54.87 ? 342 GLY A CA 1 ATOM 2616 C C . GLY A 1 342 ? 32.272 26.377 0.478 1.00 54.92 ? 342 GLY A C 1 ATOM 2617 O O . GLY A 1 342 ? 33.133 26.235 -0.397 1.00 55.21 ? 342 GLY A O 1 ATOM 2618 N N . VAL A 1 343 ? 30.965 26.540 0.182 1.00 47.42 ? 343 VAL A N 1 ATOM 2619 C CA . VAL A 1 343 ? 30.529 26.592 -1.222 1.00 45.76 ? 343 VAL A CA 1 ATOM 2620 C C . VAL A 1 343 ? 30.289 28.058 -1.666 1.00 47.09 ? 343 VAL A C 1 ATOM 2621 O O . VAL A 1 343 ? 29.414 28.722 -1.099 1.00 46.93 ? 343 VAL A O 1 ATOM 2622 C CB . VAL A 1 343 ? 29.311 25.680 -1.550 1.00 48.28 ? 343 VAL A CB 1 ATOM 2623 C CG1 . VAL A 1 343 ? 28.999 25.710 -3.046 1.00 47.58 ? 343 VAL A CG1 1 ATOM 2624 C CG2 . VAL A 1 343 ? 29.561 24.253 -1.099 1.00 47.97 ? 343 VAL A CG2 1 ATOM 2625 N N . PRO A 1 344 ? 31.005 28.565 -2.696 1.00 42.83 ? 344 PRO A N 1 ATOM 2626 C CA . PRO A 1 344 ? 30.760 29.940 -3.153 1.00 43.20 ? 344 PRO A CA 1 ATOM 2627 C C . PRO A 1 344 ? 29.330 30.142 -3.643 1.00 46.88 ? 344 PRO A C 1 ATOM 2628 O O . PRO A 1 344 ? 28.781 29.280 -4.342 1.00 45.61 ? 344 PRO A O 1 ATOM 2629 C CB . PRO A 1 344 ? 31.778 30.116 -4.291 1.00 46.04 ? 344 PRO A CB 1 ATOM 2630 C CG . PRO A 1 344 ? 32.859 29.110 -3.978 1.00 48.92 ? 344 PRO A CG 1 ATOM 2631 C CD . PRO A 1 344 ? 32.086 27.939 -3.482 1.00 43.80 ? 344 PRO A CD 1 ATOM 2632 N N . GLY A 1 345 ? 28.747 31.269 -3.239 1.00 44.37 ? 345 GLY A N 1 ATOM 2633 C CA . GLY A 1 345 ? 27.379 31.673 -3.549 1.00 43.52 ? 345 GLY A CA 1 ATOM 2634 C C . GLY A 1 345 ? 26.456 31.439 -2.371 1.00 45.15 ? 345 GLY A C 1 ATOM 2635 O O . GLY A 1 345 ? 25.333 31.939 -2.351 1.00 45.21 ? 345 GLY A O 1 ATOM 2636 N N . PHE A 1 346 ? 26.914 30.669 -1.381 1.00 40.42 ? 346 PHE A N 1 ATOM 2637 C CA . PHE A 1 346 ? 26.110 30.353 -0.195 1.00 39.74 ? 346 PHE A CA 1 ATOM 2638 C C . PHE A 1 346 ? 26.423 31.250 0.978 1.00 46.95 ? 346 PHE A C 1 ATOM 2639 O O . PHE A 1 346 ? 27.585 31.545 1.237 1.00 49.12 ? 346 PHE A O 1 ATOM 2640 C CB . PHE A 1 346 ? 26.209 28.866 0.193 1.00 39.10 ? 346 PHE A CB 1 ATOM 2641 C CG . PHE A 1 346 ? 25.492 27.964 -0.785 1.00 38.81 ? 346 PHE A CG 1 ATOM 2642 C CD1 . PHE A 1 346 ? 26.110 27.549 -1.953 1.00 40.26 ? 346 PHE A CD1 1 ATOM 2643 C CD2 . PHE A 1 346 ? 24.188 27.541 -0.537 1.00 40.01 ? 346 PHE A CD2 1 ATOM 2644 C CE1 . PHE A 1 346 ? 25.438 26.724 -2.861 1.00 42.80 ? 346 PHE A CE1 1 ATOM 2645 C CE2 . PHE A 1 346 ? 23.514 26.730 -1.446 1.00 42.47 ? 346 PHE A CE2 1 ATOM 2646 C CZ . PHE A 1 346 ? 24.143 26.317 -2.599 1.00 40.85 ? 346 PHE A CZ 1 ATOM 2647 N N . SER A 1 347 ? 25.377 31.684 1.676 1.00 44.89 ? 347 SER A N 1 ATOM 2648 C CA . SER A 1 347 ? 25.451 32.578 2.843 1.00 45.14 ? 347 SER A CA 1 ATOM 2649 C C . SER A 1 347 ? 24.230 32.378 3.736 1.00 47.54 ? 347 SER A C 1 ATOM 2650 O O . SER A 1 347 ? 23.126 32.144 3.236 1.00 46.92 ? 347 SER A O 1 ATOM 2651 C CB . SER A 1 347 ? 25.512 34.042 2.389 1.00 48.38 ? 347 SER A CB 1 ATOM 2652 O OG . SER A 1 347 ? 25.580 34.929 3.494 1.00 58.42 ? 347 SER A OG 1 ATOM 2653 N N . LYS A 1 348 ? 24.415 32.537 5.051 1.00 43.46 ? 348 LYS A N 1 ATOM 2654 C CA . LYS A 1 348 ? 23.319 32.457 6.010 1.00 42.48 ? 348 LYS A CA 1 ATOM 2655 C C . LYS A 1 348 ? 22.516 33.767 5.977 1.00 45.10 ? 348 LYS A C 1 ATOM 2656 O O . LYS A 1 348 ? 21.393 33.808 6.475 1.00 44.48 ? 348 LYS A O 1 ATOM 2657 C CB . LYS A 1 348 ? 23.858 32.188 7.444 1.00 44.31 ? 348 LYS A CB 1 ATOM 2658 C CG . LYS A 1 348 ? 24.468 33.415 8.150 1.00 51.05 ? 348 LYS A CG 1 ATOM 2659 C CD . LYS A 1 348 ? 24.647 33.216 9.651 1.00 48.87 ? 348 LYS A CD 1 ATOM 2660 C CE . LYS A 1 348 ? 24.870 34.498 10.423 1.00 44.03 ? 348 LYS A CE 1 ATOM 2661 N NZ . LYS A 1 348 ? 23.651 35.363 10.436 1.00 53.30 ? 348 LYS A NZ 1 ATOM 2662 N N . ASP A 1 349 ? 23.112 34.839 5.410 1.00 41.75 ? 349 ASP A N 1 ATOM 2663 C CA . ASP A 1 349 ? 22.541 36.194 5.413 1.00 42.39 ? 349 ASP A CA 1 ATOM 2664 C C . ASP A 1 349 ? 21.755 36.583 4.152 1.00 46.96 ? 349 ASP A C 1 ATOM 2665 O O . ASP A 1 349 ? 21.200 37.680 4.103 1.00 47.61 ? 349 ASP A O 1 ATOM 2666 C CB . ASP A 1 349 ? 23.650 37.216 5.721 1.00 44.30 ? 349 ASP A CB 1 ATOM 2667 C CG . ASP A 1 349 ? 24.198 37.044 7.126 1.00 48.99 ? 349 ASP A CG 1 ATOM 2668 O OD1 . ASP A 1 349 ? 23.391 36.890 8.063 1.00 48.85 ? 349 ASP A OD1 1 ATOM 2669 O OD2 . ASP A 1 349 ? 25.434 37.008 7.279 1.00 54.61 ? 349 ASP A OD2 1 ATOM 2670 N N . ASN A 1 350 ? 21.646 35.667 3.177 1.00 43.15 ? 350 ASN A N 1 ATOM 2671 C CA . ASN A 1 350 ? 20.851 35.848 1.956 1.00 44.04 ? 350 ASN A CA 1 ATOM 2672 C C . ASN A 1 350 ? 20.199 34.515 1.604 1.00 48.02 ? 350 ASN A C 1 ATOM 2673 O O . ASN A 1 350 ? 20.509 33.502 2.253 1.00 46.49 ? 350 ASN A O 1 ATOM 2674 C CB . ASN A 1 350 ? 21.650 36.504 0.795 1.00 43.60 ? 350 ASN A CB 1 ATOM 2675 C CG . ASN A 1 350 ? 22.785 35.717 0.167 1.00 67.31 ? 350 ASN A CG 1 ATOM 2676 O OD1 . ASN A 1 350 ? 22.726 34.490 0.029 1.00 58.90 ? 350 ASN A OD1 1 ATOM 2677 N ND2 . ASN A 1 350 ? 23.844 36.419 -0.269 1.00 70.80 ? 350 ASN A ND2 1 ATOM 2678 N N . GLU A 1 351 ? 19.286 34.514 0.614 1.00 44.19 ? 351 GLU A N 1 ATOM 2679 C CA . GLU A 1 351 ? 18.537 33.342 0.127 1.00 43.56 ? 351 GLU A CA 1 ATOM 2680 C C . GLU A 1 351 ? 19.391 32.272 -0.559 1.00 44.36 ? 351 GLU A C 1 ATOM 2681 O O . GLU A 1 351 ? 18.893 31.169 -0.830 1.00 42.81 ? 351 GLU A O 1 ATOM 2682 C CB . GLU A 1 351 ? 17.429 33.793 -0.841 1.00 46.24 ? 351 GLU A CB 1 ATOM 2683 C CG . GLU A 1 351 ? 16.217 34.354 -0.130 1.00 59.48 ? 351 GLU A CG 1 ATOM 2684 C CD . GLU A 1 351 ? 15.526 33.344 0.759 1.00 81.22 ? 351 GLU A CD 1 ATOM 2685 O OE1 . GLU A 1 351 ? 14.905 32.382 0.241 1.00 83.86 ? 351 GLU A OE1 1 ATOM 2686 O OE2 . GLU A 1 351 ? 15.656 33.500 1.990 1.00 60.94 ? 351 GLU A OE2 1 ATOM 2687 N N . SER A 1 352 ? 20.652 32.620 -0.889 1.00 39.33 ? 352 SER A N 1 ATOM 2688 C CA . SER A 1 352 ? 21.654 31.749 -1.516 1.00 37.46 ? 352 SER A CA 1 ATOM 2689 C C . SER A 1 352 ? 21.184 31.127 -2.830 1.00 41.21 ? 352 SER A C 1 ATOM 2690 O O . SER A 1 352 ? 21.449 29.948 -3.088 1.00 39.90 ? 352 SER A O 1 ATOM 2691 C CB . SER A 1 352 ? 22.135 30.676 -0.526 1.00 37.41 ? 352 SER A CB 1 ATOM 2692 O OG . SER A 1 352 ? 22.782 31.274 0.583 1.00 41.54 ? 352 SER A OG 1 ATOM 2693 N N . LEU A 1 353 ? 20.507 31.926 -3.667 1.00 39.13 ? 353 LEU A N 1 ATOM 2694 C CA . LEU A 1 353 ? 20.057 31.498 -4.983 1.00 40.26 ? 353 LEU A CA 1 ATOM 2695 C C . LEU A 1 353 ? 21.301 31.463 -5.873 1.00 47.15 ? 353 LEU A C 1 ATOM 2696 O O . LEU A 1 353 ? 22.014 32.455 -5.994 1.00 49.69 ? 353 LEU A O 1 ATOM 2697 C CB . LEU A 1 353 ? 18.979 32.449 -5.533 1.00 41.71 ? 353 LEU A CB 1 ATOM 2698 C CG . LEU A 1 353 ? 17.702 32.613 -4.676 1.00 47.91 ? 353 LEU A CG 1 ATOM 2699 C CD1 . LEU A 1 353 ? 16.655 33.421 -5.432 1.00 49.75 ? 353 LEU A CD1 1 ATOM 2700 C CD2 . LEU A 1 353 ? 17.107 31.279 -4.258 1.00 48.53 ? 353 LEU A CD2 1 ATOM 2701 N N . ILE A 1 354 ? 21.619 30.292 -6.397 1.00 41.18 ? 354 ILE A N 1 ATOM 2702 C CA . ILE A 1 354 ? 22.842 30.077 -7.162 1.00 38.67 ? 354 ILE A CA 1 ATOM 2703 C C . ILE A 1 354 ? 22.606 29.782 -8.626 1.00 41.87 ? 354 ILE A C 1 ATOM 2704 O O . ILE A 1 354 ? 21.520 29.343 -9.027 1.00 40.70 ? 354 ILE A O 1 ATOM 2705 C CB . ILE A 1 354 ? 23.700 28.956 -6.476 1.00 39.82 ? 354 ILE A CB 1 ATOM 2706 C CG1 . ILE A 1 354 ? 22.946 27.595 -6.417 1.00 37.72 ? 354 ILE A CG1 1 ATOM 2707 C CG2 . ILE A 1 354 ? 24.211 29.404 -5.092 1.00 39.13 ? 354 ILE A CG2 1 ATOM 2708 C CD1 . ILE A 1 354 ? 23.856 26.347 -6.352 1.00 37.77 ? 354 ILE A CD1 1 ATOM 2709 N N . SER A 1 355 ? 23.652 30.000 -9.427 1.00 39.04 ? 355 SER A N 1 ATOM 2710 C CA . SER A 1 355 ? 23.647 29.731 -10.851 1.00 39.92 ? 355 SER A CA 1 ATOM 2711 C C . SER A 1 355 ? 24.014 28.266 -11.093 1.00 43.15 ? 355 SER A C 1 ATOM 2712 O O . SER A 1 355 ? 24.480 27.579 -10.181 1.00 41.14 ? 355 SER A O 1 ATOM 2713 C CB . SER A 1 355 ? 24.662 30.635 -11.556 1.00 45.34 ? 355 SER A CB 1 ATOM 2714 O OG . SER A 1 355 ? 25.989 30.249 -11.221 1.00 50.61 ? 355 SER A OG 1 ATOM 2715 N N . ARG A 1 356 ? 23.865 27.816 -12.342 1.00 41.78 ? 356 ARG A N 1 ATOM 2716 C CA . ARG A 1 356 ? 24.235 26.470 -12.760 1.00 43.18 ? 356 ARG A CA 1 ATOM 2717 C C . ARG A 1 356 ? 25.753 26.262 -12.604 1.00 47.72 ? 356 ARG A C 1 ATOM 2718 O O . ARG A 1 356 ? 26.173 25.213 -12.126 1.00 47.01 ? 356 ARG A O 1 ATOM 2719 C CB . ARG A 1 356 ? 23.793 26.237 -14.207 1.00 46.00 ? 356 ARG A CB 1 ATOM 2720 C CG . ARG A 1 356 ? 24.071 24.839 -14.687 1.00 54.65 ? 356 ARG A CG 1 ATOM 2721 C CD . ARG A 1 356 ? 22.928 24.268 -15.492 1.00 64.06 ? 356 ARG A CD 1 ATOM 2722 N NE . ARG A 1 356 ? 23.188 22.850 -15.737 1.00 62.71 ? 356 ARG A NE 1 ATOM 2723 C CZ . ARG A 1 356 ? 22.769 21.865 -14.954 1.00 63.28 ? 356 ARG A CZ 1 ATOM 2724 N NH1 . ARG A 1 356 ? 22.007 22.125 -13.899 1.00 51.63 ? 356 ARG A NH1 1 ATOM 2725 N NH2 . ARG A 1 356 ? 23.074 20.609 -15.241 1.00 49.81 ? 356 ARG A NH2 1 ATOM 2726 N N . ALA A 1 357 ? 26.557 27.276 -12.965 1.00 45.19 ? 357 ALA A N 1 ATOM 2727 C CA . ALA A 1 357 ? 28.015 27.246 -12.826 1.00 44.53 ? 357 ALA A CA 1 ATOM 2728 C C . ALA A 1 357 ? 28.400 27.055 -11.354 1.00 44.39 ? 357 ALA A C 1 ATOM 2729 O O . ALA A 1 357 ? 29.243 26.208 -11.044 1.00 44.11 ? 357 ALA A O 1 ATOM 2730 C CB . ALA A 1 357 ? 28.627 28.531 -13.402 1.00 45.91 ? 357 ALA A CB 1 ATOM 2731 N N . GLN A 1 358 ? 27.721 27.771 -10.442 1.00 39.42 ? 358 GLN A N 1 ATOM 2732 C CA . GLN A 1 358 ? 27.945 27.657 -8.995 1.00 37.39 ? 358 GLN A CA 1 ATOM 2733 C C . GLN A 1 358 ? 27.536 26.281 -8.473 1.00 40.12 ? 358 GLN A C 1 ATOM 2734 O O . GLN A 1 358 ? 28.168 25.771 -7.550 1.00 39.91 ? 358 GLN A O 1 ATOM 2735 C CB . GLN A 1 358 ? 27.220 28.772 -8.226 1.00 38.77 ? 358 GLN A CB 1 ATOM 2736 C CG . GLN A 1 358 ? 27.837 30.159 -8.433 1.00 46.86 ? 358 GLN A CG 1 ATOM 2737 C CD . GLN A 1 358 ? 27.062 31.250 -7.749 1.00 52.62 ? 358 GLN A CD 1 ATOM 2738 O OE1 . GLN A 1 358 ? 25.849 31.374 -7.899 1.00 50.38 ? 358 GLN A OE1 1 ATOM 2739 N NE2 . GLN A 1 358 ? 27.753 32.106 -7.031 1.00 47.68 ? 358 GLN A NE2 1 ATOM 2740 N N . PHE A 1 359 ? 26.504 25.661 -9.076 1.00 36.85 ? 359 PHE A N 1 ATOM 2741 C CA . PHE A 1 359 ? 26.078 24.301 -8.718 1.00 35.58 ? 359 PHE A CA 1 ATOM 2742 C C . PHE A 1 359 ? 27.150 23.273 -9.150 1.00 40.04 ? 359 PHE A C 1 ATOM 2743 O O . PHE A 1 359 ? 27.476 22.390 -8.373 1.00 40.15 ? 359 PHE A O 1 ATOM 2744 C CB . PHE A 1 359 ? 24.711 23.971 -9.359 1.00 37.49 ? 359 PHE A CB 1 ATOM 2745 C CG . PHE A 1 359 ? 24.228 22.545 -9.160 1.00 38.90 ? 359 PHE A CG 1 ATOM 2746 C CD1 . PHE A 1 359 ? 23.995 22.043 -7.887 1.00 41.02 ? 359 PHE A CD1 1 ATOM 2747 C CD2 . PHE A 1 359 ? 23.962 21.726 -10.250 1.00 40.65 ? 359 PHE A CD2 1 ATOM 2748 C CE1 . PHE A 1 359 ? 23.526 20.739 -7.707 1.00 42.37 ? 359 PHE A CE1 1 ATOM 2749 C CE2 . PHE A 1 359 ? 23.476 20.429 -10.073 1.00 43.10 ? 359 PHE A CE2 1 ATOM 2750 C CZ . PHE A 1 359 ? 23.262 19.942 -8.807 1.00 41.11 ? 359 PHE A CZ 1 ATOM 2751 N N . LEU A 1 360 ? 27.703 23.396 -10.369 1.00 40.23 ? 360 LEU A N 1 ATOM 2752 C CA . LEU A 1 360 ? 28.747 22.471 -10.835 1.00 41.73 ? 360 LEU A CA 1 ATOM 2753 C C . LEU A 1 360 ? 30.018 22.589 -9.973 1.00 45.47 ? 360 LEU A C 1 ATOM 2754 O O . LEU A 1 360 ? 30.593 21.570 -9.592 1.00 45.65 ? 360 LEU A O 1 ATOM 2755 C CB . LEU A 1 360 ? 29.092 22.654 -12.323 1.00 43.34 ? 360 LEU A CB 1 ATOM 2756 C CG . LEU A 1 360 ? 27.985 22.797 -13.399 1.00 51.43 ? 360 LEU A CG 1 ATOM 2757 C CD1 . LEU A 1 360 ? 28.577 22.695 -14.824 1.00 53.52 ? 360 LEU A CD1 1 ATOM 2758 C CD2 . LEU A 1 360 ? 26.859 21.784 -13.253 1.00 52.03 ? 360 LEU A CD2 1 ATOM 2759 N N . ALA A 1 361 ? 30.434 23.833 -9.639 1.00 40.42 ? 361 ALA A N 1 ATOM 2760 C CA . ALA A 1 361 ? 31.587 24.087 -8.786 1.00 39.39 ? 361 ALA A CA 1 ATOM 2761 C C . ALA A 1 361 ? 31.339 23.556 -7.374 1.00 41.95 ? 361 ALA A C 1 ATOM 2762 O O . ALA A 1 361 ? 32.256 22.985 -6.777 1.00 41.13 ? 361 ALA A O 1 ATOM 2763 C CB . ALA A 1 361 ? 31.907 25.569 -8.763 1.00 40.65 ? 361 ALA A CB 1 ATOM 2764 N N . GLY A 1 362 ? 30.092 23.688 -6.883 1.00 35.06 ? 362 GLY A N 1 ATOM 2765 C CA . GLY A 1 362 ? 29.673 23.195 -5.581 1.00 33.10 ? 362 GLY A CA 1 ATOM 2766 C C . GLY A 1 362 ? 29.744 21.683 -5.494 1.00 37.85 ? 362 GLY A C 1 ATOM 2767 O O . GLY A 1 362 ? 30.155 21.141 -4.468 1.00 37.24 ? 362 GLY A O 1 ATOM 2768 N N . VAL A 1 363 ? 29.345 20.987 -6.577 1.00 35.73 ? 363 VAL A N 1 ATOM 2769 C CA . VAL A 1 363 ? 29.398 19.518 -6.654 1.00 36.38 ? 363 VAL A CA 1 ATOM 2770 C C . VAL A 1 363 ? 30.861 19.021 -6.529 1.00 40.81 ? 363 VAL A C 1 ATOM 2771 O O . VAL A 1 363 ? 31.089 18.012 -5.879 1.00 40.41 ? 363 VAL A O 1 ATOM 2772 C CB . VAL A 1 363 ? 28.657 18.955 -7.906 1.00 39.94 ? 363 VAL A CB 1 ATOM 2773 C CG1 . VAL A 1 363 ? 29.009 17.484 -8.161 1.00 39.35 ? 363 VAL A CG1 1 ATOM 2774 C CG2 . VAL A 1 363 ? 27.140 19.127 -7.767 1.00 39.23 ? 363 VAL A CG2 1 ATOM 2775 N N . ARG A 1 364 ? 31.830 19.738 -7.126 1.00 40.02 ? 364 ARG A N 1 ATOM 2776 C CA . ARG A 1 364 ? 33.262 19.393 -7.044 1.00 40.33 ? 364 ARG A CA 1 ATOM 2777 C C . ARG A 1 364 ? 33.788 19.504 -5.609 1.00 42.17 ? 364 ARG A C 1 ATOM 2778 O O . ARG A 1 364 ? 34.609 18.691 -5.199 1.00 42.94 ? 364 ARG A O 1 ATOM 2779 C CB . ARG A 1 364 ? 34.121 20.252 -7.994 1.00 38.66 ? 364 ARG A CB 1 ATOM 2780 C CG . ARG A 1 364 ? 33.796 20.156 -9.501 1.00 47.57 ? 364 ARG A CG 1 ATOM 2781 C CD . ARG A 1 364 ? 33.365 18.780 -10.007 1.00 55.51 ? 364 ARG A CD 1 ATOM 2782 N NE . ARG A 1 364 ? 34.387 17.730 -9.899 1.00 58.88 ? 364 ARG A NE 1 ATOM 2783 C CZ . ARG A 1 364 ? 35.159 17.326 -10.903 1.00 73.09 ? 364 ARG A CZ 1 ATOM 2784 N NH1 . ARG A 1 364 ? 35.064 17.902 -12.098 1.00 60.09 ? 364 ARG A NH1 1 ATOM 2785 N NH2 . ARG A 1 364 ? 36.043 16.352 -10.718 1.00 55.45 ? 364 ARG A NH2 1 ATOM 2786 N N . ILE A 1 365 ? 33.310 20.502 -4.854 1.00 37.19 ? 365 ILE A N 1 ATOM 2787 C CA . ILE A 1 365 ? 33.648 20.726 -3.446 1.00 35.86 ? 365 ILE A CA 1 ATOM 2788 C C . ILE A 1 365 ? 32.914 19.712 -2.540 1.00 38.15 ? 365 ILE A C 1 ATOM 2789 O O . ILE A 1 365 ? 33.500 19.200 -1.591 1.00 37.41 ? 365 ILE A O 1 ATOM 2790 C CB . ILE A 1 365 ? 33.372 22.217 -3.043 1.00 37.76 ? 365 ILE A CB 1 ATOM 2791 C CG1 . ILE A 1 365 ? 34.202 23.192 -3.914 1.00 39.06 ? 365 ILE A CG1 1 ATOM 2792 C CG2 . ILE A 1 365 ? 33.636 22.463 -1.551 1.00 35.91 ? 365 ILE A CG2 1 ATOM 2793 C CD1 . ILE A 1 365 ? 33.636 24.611 -3.953 1.00 44.94 ? 365 ILE A CD1 1 ATOM 2794 N N . GLY A 1 366 ? 31.649 19.447 -2.847 1.00 35.37 ? 366 GLY A N 1 ATOM 2795 C CA . GLY A 1 366 ? 30.794 18.548 -2.077 1.00 35.57 ? 366 GLY A CA 1 ATOM 2796 C C . GLY A 1 366 ? 31.069 17.079 -2.294 1.00 41.41 ? 366 GLY A C 1 ATOM 2797 O O . GLY A 1 366 ? 30.757 16.265 -1.428 1.00 42.18 ? 366 GLY A O 1 ATOM 2798 N N . VAL A 1 367 ? 31.593 16.707 -3.477 1.00 37.32 ? 367 VAL A N 1 ATOM 2799 C CA . VAL A 1 367 ? 31.948 15.313 -3.771 1.00 36.96 ? 367 VAL A CA 1 ATOM 2800 C C . VAL A 1 367 ? 33.430 15.386 -4.193 1.00 41.35 ? 367 VAL A C 1 ATOM 2801 O O . VAL A 1 367 ? 33.744 15.248 -5.373 1.00 40.93 ? 367 VAL A O 1 ATOM 2802 C CB . VAL A 1 367 ? 30.990 14.643 -4.809 1.00 40.77 ? 367 VAL A CB 1 ATOM 2803 C CG1 . VAL A 1 367 ? 31.157 13.124 -4.793 1.00 40.82 ? 367 VAL A CG1 1 ATOM 2804 C CG2 . VAL A 1 367 ? 29.522 15.006 -4.525 1.00 39.50 ? 367 VAL A CG2 1 ATOM 2805 N N . PRO A 1 368 ? 34.357 15.710 -3.238 1.00 39.47 ? 368 PRO A N 1 ATOM 2806 C CA . PRO A 1 368 ? 35.763 15.966 -3.625 1.00 39.66 ? 368 PRO A CA 1 ATOM 2807 C C . PRO A 1 368 ? 36.533 14.807 -4.236 1.00 45.72 ? 368 PRO A C 1 ATOM 2808 O O . PRO A 1 368 ? 37.518 15.055 -4.935 1.00 47.41 ? 368 PRO A O 1 ATOM 2809 C CB . PRO A 1 368 ? 36.407 16.423 -2.314 1.00 40.81 ? 368 PRO A CB 1 ATOM 2810 C CG . PRO A 1 368 ? 35.543 15.859 -1.244 1.00 43.57 ? 368 PRO A CG 1 ATOM 2811 C CD . PRO A 1 368 ? 34.164 15.941 -1.784 1.00 39.07 ? 368 PRO A CD 1 ATOM 2812 N N . GLN A 1 369 ? 36.077 13.568 -3.982 1.00 43.44 ? 369 GLN A N 1 ATOM 2813 C CA A GLN A 1 369 ? 36.667 12.310 -4.478 0.50 44.56 ? 369 GLN A CA 1 ATOM 2814 C CA B GLN A 1 369 ? 36.724 12.361 -4.478 0.50 44.55 ? 369 GLN A CA 1 ATOM 2815 C C . GLN A 1 369 ? 36.223 11.997 -5.895 1.00 51.66 ? 369 GLN A C 1 ATOM 2816 O O . GLN A 1 369 ? 36.836 11.156 -6.566 1.00 54.23 ? 369 GLN A O 1 ATOM 2817 C CB A GLN A 1 369 ? 36.285 11.128 -3.564 0.50 45.40 ? 369 GLN A CB 1 ATOM 2818 C CB B GLN A 1 369 ? 36.567 11.221 -3.443 0.50 45.38 ? 369 GLN A CB 1 ATOM 2819 C CG A GLN A 1 369 ? 34.845 10.625 -3.754 0.50 46.98 ? 369 GLN A CG 1 ATOM 2820 C CG B GLN A 1 369 ? 37.514 11.303 -2.199 0.50 45.44 ? 369 GLN A CG 1 ATOM 2821 C CD A GLN A 1 369 ? 33.895 11.111 -2.694 0.50 49.56 ? 369 GLN A CD 1 ATOM 2822 C CD B GLN A 1 369 ? 37.332 12.442 -1.188 0.50 45.43 ? 369 GLN A CD 1 ATOM 2823 O OE1 A GLN A 1 369 ? 33.703 12.318 -2.468 0.50 30.06 ? 369 GLN A OE1 1 ATOM 2824 O OE1 B GLN A 1 369 ? 36.525 12.398 -0.239 0.50 27.27 ? 369 GLN A OE1 1 ATOM 2825 N NE2 A GLN A 1 369 ? 33.285 10.159 -2.020 0.50 48.41 ? 369 GLN A NE2 1 ATOM 2826 N NE2 B GLN A 1 369 ? 38.211 13.412 -1.255 0.50 34.23 ? 369 GLN A NE2 1 ATOM 2827 N N . ALA A 1 370 ? 35.136 12.665 -6.373 1.00 48.59 ? 370 ALA A N 1 ATOM 2828 C CA . ALA A 1 370 ? 34.583 12.431 -7.718 1.00 48.04 ? 370 ALA A CA 1 ATOM 2829 C C . ALA A 1 370 ? 35.479 12.853 -8.850 1.00 53.72 ? 370 ALA A C 1 ATOM 2830 O O . ALA A 1 370 ? 35.957 13.989 -8.917 1.00 53.43 ? 370 ALA A O 1 ATOM 2831 C CB . ALA A 1 370 ? 33.221 13.096 -7.885 1.00 47.80 ? 370 ALA A CB 1 ATOM 2832 N N . SER A 1 371 ? 35.607 11.940 -9.812 1.00 50.95 ? 371 SER A N 1 ATOM 2833 C CA . SER A 1 371 ? 36.267 12.164 -11.076 1.00 51.32 ? 371 SER A CA 1 ATOM 2834 C C . SER A 1 371 ? 35.322 13.088 -11.865 1.00 54.44 ? 371 SER A C 1 ATOM 2835 O O . SER A 1 371 ? 34.191 13.356 -11.424 1.00 51.92 ? 371 SER A O 1 ATOM 2836 C CB . SER A 1 371 ? 36.416 10.837 -11.821 1.00 55.96 ? 371 SER A CB 1 ATOM 2837 O OG . SER A 1 371 ? 35.164 10.208 -12.067 1.00 61.31 ? 371 SER A OG 1 ATOM 2838 N N . ASP A 1 372 ? 35.767 13.553 -13.031 1.00 51.92 ? 372 ASP A N 1 ATOM 2839 C CA . ASP A 1 372 ? 34.957 14.401 -13.890 1.00 52.12 ? 372 ASP A CA 1 ATOM 2840 C C . ASP A 1 372 ? 33.660 13.710 -14.296 1.00 54.98 ? 372 ASP A C 1 ATOM 2841 O O . ASP A 1 372 ? 32.615 14.347 -14.267 1.00 53.61 ? 372 ASP A O 1 ATOM 2842 C CB . ASP A 1 372 ? 35.760 14.846 -15.120 1.00 55.10 ? 372 ASP A CB 1 ATOM 2843 C CG . ASP A 1 372 ? 36.789 15.920 -14.827 1.00 66.22 ? 372 ASP A CG 1 ATOM 2844 O OD1 . ASP A 1 372 ? 37.184 16.061 -13.648 1.00 65.09 ? 372 ASP A OD1 1 ATOM 2845 O OD2 . ASP A 1 372 ? 37.193 16.628 -15.776 1.00 77.42 ? 372 ASP A OD2 1 ATOM 2846 N N . LEU A 1 373 ? 33.724 12.407 -14.622 1.00 52.23 ? 373 LEU A N 1 ATOM 2847 C CA . LEU A 1 373 ? 32.563 11.612 -15.029 1.00 51.38 ? 373 LEU A CA 1 ATOM 2848 C C . LEU A 1 373 ? 31.587 11.379 -13.870 1.00 51.55 ? 373 LEU A C 1 ATOM 2849 O O . LEU A 1 373 ? 30.380 11.495 -14.079 1.00 50.37 ? 373 LEU A O 1 ATOM 2850 C CB . LEU A 1 373 ? 32.990 10.291 -15.697 1.00 52.15 ? 373 LEU A CB 1 ATOM 2851 C CG . LEU A 1 373 ? 31.881 9.380 -16.249 1.00 56.70 ? 373 LEU A CG 1 ATOM 2852 C CD1 . LEU A 1 373 ? 31.161 10.010 -17.440 1.00 56.18 ? 373 LEU A CD1 1 ATOM 2853 C CD2 . LEU A 1 373 ? 32.449 8.049 -16.651 1.00 59.26 ? 373 LEU A CD2 1 ATOM 2854 N N . ALA A 1 374 ? 32.103 11.074 -12.658 1.00 45.99 ? 374 ALA A N 1 ATOM 2855 C CA . ALA A 1 374 ? 31.282 10.885 -11.461 1.00 44.05 ? 374 ALA A CA 1 ATOM 2856 C C . ALA A 1 374 ? 30.560 12.187 -11.096 1.00 46.34 ? 374 ALA A C 1 ATOM 2857 O O . ALA A 1 374 ? 29.380 12.142 -10.752 1.00 45.67 ? 374 ALA A O 1 ATOM 2858 C CB . ALA A 1 374 ? 32.136 10.403 -10.294 1.00 44.32 ? 374 ALA A CB 1 ATOM 2859 N N . ALA A 1 375 ? 31.257 13.339 -11.193 1.00 43.00 ? 375 ALA A N 1 ATOM 2860 C CA . ALA A 1 375 ? 30.683 14.652 -10.874 1.00 42.40 ? 375 ALA A CA 1 ATOM 2861 C C . ALA A 1 375 ? 29.594 15.002 -11.885 1.00 46.86 ? 375 ALA A C 1 ATOM 2862 O O . ALA A 1 375 ? 28.590 15.611 -11.500 1.00 46.58 ? 375 ALA A O 1 ATOM 2863 C CB . ALA A 1 375 ? 31.756 15.722 -10.863 1.00 42.57 ? 375 ALA A CB 1 ATOM 2864 N N . GLU A 1 376 ? 29.784 14.612 -13.169 1.00 42.75 ? 376 GLU A N 1 ATOM 2865 C CA A GLU A 1 376 ? 28.750 14.889 -14.157 0.50 42.76 ? 376 GLU A CA 1 ATOM 2866 C CA B GLU A 1 376 ? 28.800 14.830 -14.225 0.50 42.60 ? 376 GLU A CA 1 ATOM 2867 C C . GLU A 1 376 ? 27.548 13.985 -13.938 1.00 44.71 ? 376 GLU A C 1 ATOM 2868 O O . GLU A 1 376 ? 26.435 14.478 -14.062 1.00 43.92 ? 376 GLU A O 1 ATOM 2869 C CB A GLU A 1 376 ? 29.249 14.896 -15.611 0.50 45.71 ? 376 GLU A CB 1 ATOM 2870 C CB B GLU A 1 376 ? 29.405 14.527 -15.611 0.50 45.42 ? 376 GLU A CB 1 ATOM 2871 C CG A GLU A 1 376 ? 29.367 16.302 -16.211 0.50 58.86 ? 376 GLU A CG 1 ATOM 2872 C CG B GLU A 1 376 ? 30.306 15.656 -16.108 0.50 58.17 ? 376 GLU A CG 1 ATOM 2873 C CD A GLU A 1 376 ? 28.197 17.264 -16.042 0.50 70.15 ? 376 GLU A CD 1 ATOM 2874 C CD B GLU A 1 376 ? 30.870 15.573 -17.515 0.50 74.85 ? 376 GLU A CD 1 ATOM 2875 O OE1 A GLU A 1 376 ? 28.414 18.386 -15.520 0.50 49.44 ? 376 GLU A OE1 1 ATOM 2876 O OE1 B GLU A 1 376 ? 31.332 14.482 -17.919 0.50 60.10 ? 376 GLU A OE1 1 ATOM 2877 O OE2 A GLU A 1 376 ? 27.061 16.888 -16.417 0.50 50.51 ? 376 GLU A OE2 1 ATOM 2878 O OE2 B GLU A 1 376 ? 30.912 16.627 -18.189 0.50 70.84 ? 376 GLU A OE2 1 ATOM 2879 N N . ALA A 1 377 ? 27.746 12.716 -13.487 1.00 40.81 ? 377 ALA A N 1 ATOM 2880 C CA . ALA A 1 377 ? 26.634 11.816 -13.136 1.00 40.25 ? 377 ALA A CA 1 ATOM 2881 C C . ALA A 1 377 ? 25.778 12.440 -12.002 1.00 42.44 ? 377 ALA A C 1 ATOM 2882 O O . ALA A 1 377 ? 24.545 12.375 -12.073 1.00 41.31 ? 377 ALA A O 1 ATOM 2883 C CB . ALA A 1 377 ? 27.155 10.448 -12.710 1.00 40.85 ? 377 ALA A CB 1 ATOM 2884 N N . VAL A 1 378 ? 26.435 13.056 -10.978 1.00 38.05 ? 378 VAL A N 1 ATOM 2885 C CA . VAL A 1 378 ? 25.782 13.717 -9.836 1.00 36.41 ? 378 VAL A CA 1 ATOM 2886 C C . VAL A 1 378 ? 24.934 14.901 -10.348 1.00 40.53 ? 378 VAL A C 1 ATOM 2887 O O . VAL A 1 378 ? 23.746 14.993 -10.043 1.00 39.57 ? 378 VAL A O 1 ATOM 2888 C CB . VAL A 1 378 ? 26.792 14.184 -8.741 1.00 38.51 ? 378 VAL A CB 1 ATOM 2889 C CG1 . VAL A 1 378 ? 26.083 15.035 -7.681 1.00 37.65 ? 378 VAL A CG1 1 ATOM 2890 C CG2 . VAL A 1 378 ? 27.502 12.992 -8.078 1.00 37.64 ? 378 VAL A CG2 1 ATOM 2891 N N . VAL A 1 379 ? 25.560 15.798 -11.120 1.00 39.29 ? 379 VAL A N 1 ATOM 2892 C CA . VAL A 1 379 ? 24.916 16.977 -11.719 1.00 40.57 ? 379 VAL A CA 1 ATOM 2893 C C . VAL A 1 379 ? 23.697 16.560 -12.565 1.00 46.36 ? 379 VAL A C 1 ATOM 2894 O O . VAL A 1 379 ? 22.638 17.170 -12.448 1.00 47.06 ? 379 VAL A O 1 ATOM 2895 C CB . VAL A 1 379 ? 25.945 17.822 -12.537 1.00 43.65 ? 379 VAL A CB 1 ATOM 2896 C CG1 . VAL A 1 379 ? 25.250 18.755 -13.521 1.00 43.54 ? 379 VAL A CG1 1 ATOM 2897 C CG2 . VAL A 1 379 ? 26.860 18.620 -11.606 1.00 42.33 ? 379 VAL A CG2 1 ATOM 2898 N N . LEU A 1 380 ? 23.833 15.505 -13.361 1.00 43.68 ? 380 LEU A N 1 ATOM 2899 C CA . LEU A 1 380 ? 22.738 15.066 -14.226 1.00 45.92 ? 380 LEU A CA 1 ATOM 2900 C C . LEU A 1 380 ? 21.584 14.437 -13.437 1.00 45.95 ? 380 LEU A C 1 ATOM 2901 O O . LEU A 1 380 ? 20.422 14.648 -13.779 1.00 45.25 ? 380 LEU A O 1 ATOM 2902 C CB . LEU A 1 380 ? 23.239 14.167 -15.363 1.00 48.34 ? 380 LEU A CB 1 ATOM 2903 C CG . LEU A 1 380 ? 24.298 14.791 -16.320 1.00 55.48 ? 380 LEU A CG 1 ATOM 2904 C CD1 . LEU A 1 380 ? 24.872 13.746 -17.242 1.00 56.86 ? 380 LEU A CD1 1 ATOM 2905 C CD2 . LEU A 1 380 ? 23.723 15.884 -17.186 1.00 61.82 ? 380 LEU A CD2 1 ATOM 2906 N N . HIS A 1 381 ? 21.899 13.740 -12.348 1.00 40.61 ? 381 HIS A N 1 ATOM 2907 C CA . HIS A 1 381 ? 20.897 13.135 -11.484 1.00 40.38 ? 381 HIS A CA 1 ATOM 2908 C C . HIS A 1 381 ? 20.107 14.187 -10.684 1.00 42.23 ? 381 HIS A C 1 ATOM 2909 O O . HIS A 1 381 ? 18.902 14.043 -10.521 1.00 42.04 ? 381 HIS A O 1 ATOM 2910 C CB . HIS A 1 381 ? 21.567 12.134 -10.521 1.00 40.12 ? 381 HIS A CB 1 ATOM 2911 C CG . HIS A 1 381 ? 20.604 11.424 -9.638 1.00 43.00 ? 381 HIS A CG 1 ATOM 2912 N ND1 . HIS A 1 381 ? 19.953 10.278 -10.055 1.00 45.88 ? 381 HIS A ND1 1 ATOM 2913 C CD2 . HIS A 1 381 ? 20.201 11.724 -8.384 1.00 43.82 ? 381 HIS A CD2 1 ATOM 2914 C CE1 . HIS A 1 381 ? 19.179 9.917 -9.046 1.00 44.98 ? 381 HIS A CE1 1 ATOM 2915 N NE2 . HIS A 1 381 ? 19.296 10.758 -8.017 1.00 44.19 ? 381 HIS A NE2 1 ATOM 2916 N N . TYR A 1 382 ? 20.793 15.225 -10.180 1.00 37.93 ? 382 TYR A N 1 ATOM 2917 C CA . TYR A 1 382 ? 20.188 16.244 -9.313 1.00 36.64 ? 382 TYR A CA 1 ATOM 2918 C C . TYR A 1 382 ? 19.589 17.435 -10.036 1.00 40.82 ? 382 TYR A C 1 ATOM 2919 O O . TYR A 1 382 ? 18.798 18.171 -9.434 1.00 40.47 ? 382 TYR A O 1 ATOM 2920 C CB . TYR A 1 382 ? 21.190 16.705 -8.251 1.00 35.66 ? 382 TYR A CB 1 ATOM 2921 C CG . TYR A 1 382 ? 21.291 15.717 -7.113 1.00 35.53 ? 382 TYR A CG 1 ATOM 2922 C CD1 . TYR A 1 382 ? 22.159 14.627 -7.185 1.00 36.89 ? 382 TYR A CD1 1 ATOM 2923 C CD2 . TYR A 1 382 ? 20.505 15.857 -5.972 1.00 34.36 ? 382 TYR A CD2 1 ATOM 2924 C CE1 . TYR A 1 382 ? 22.261 13.717 -6.137 1.00 35.14 ? 382 TYR A CE1 1 ATOM 2925 C CE2 . TYR A 1 382 ? 20.581 14.939 -4.925 1.00 34.79 ? 382 TYR A CE2 1 ATOM 2926 C CZ . TYR A 1 382 ? 21.478 13.886 -5.005 1.00 41.08 ? 382 TYR A CZ 1 ATOM 2927 O OH . TYR A 1 382 ? 21.568 12.995 -3.982 1.00 39.26 ? 382 TYR A OH 1 ATOM 2928 N N . THR A 1 383 ? 19.941 17.635 -11.309 1.00 37.72 ? 383 THR A N 1 ATOM 2929 C CA . THR A 1 383 ? 19.327 18.686 -12.113 1.00 37.97 ? 383 THR A CA 1 ATOM 2930 C C . THR A 1 383 ? 17.872 18.330 -12.367 1.00 44.77 ? 383 THR A C 1 ATOM 2931 O O . THR A 1 383 ? 17.559 17.172 -12.655 1.00 46.69 ? 383 THR A O 1 ATOM 2932 C CB . THR A 1 383 ? 20.087 18.873 -13.448 1.00 39.21 ? 383 THR A CB 1 ATOM 2933 O OG1 . THR A 1 383 ? 21.382 19.368 -13.133 1.00 41.26 ? 383 THR A OG1 1 ATOM 2934 C CG2 . THR A 1 383 ? 19.408 19.850 -14.398 1.00 36.69 ? 383 THR A CG2 1 ATOM 2935 N N . ASP A 1 384 ? 16.997 19.339 -12.270 1.00 42.95 ? 384 ASP A N 1 ATOM 2936 C CA . ASP A 1 384 ? 15.602 19.270 -12.668 1.00 44.66 ? 384 ASP A CA 1 ATOM 2937 C C . ASP A 1 384 ? 15.650 19.691 -14.135 1.00 50.20 ? 384 ASP A C 1 ATOM 2938 O O . ASP A 1 384 ? 15.834 20.868 -14.437 1.00 50.88 ? 384 ASP A O 1 ATOM 2939 C CB . ASP A 1 384 ? 14.727 20.249 -11.853 1.00 46.77 ? 384 ASP A CB 1 ATOM 2940 C CG . ASP A 1 384 ? 13.242 20.208 -12.216 1.00 57.84 ? 384 ASP A CG 1 ATOM 2941 O OD1 . ASP A 1 384 ? 12.887 19.556 -13.235 1.00 57.57 ? 384 ASP A OD1 1 ATOM 2942 O OD2 . ASP A 1 384 ? 12.438 20.823 -11.487 1.00 65.35 ? 384 ASP A OD2 1 ATOM 2943 N N . TRP A 1 385 ? 15.524 18.727 -15.056 1.00 47.07 ? 385 TRP A N 1 ATOM 2944 C CA . TRP A 1 385 ? 15.649 18.989 -16.481 1.00 46.50 ? 385 TRP A CA 1 ATOM 2945 C C . TRP A 1 385 ? 14.478 19.789 -17.077 1.00 51.75 ? 385 TRP A C 1 ATOM 2946 O O . TRP A 1 385 ? 14.608 20.288 -18.190 1.00 52.41 ? 385 TRP A O 1 ATOM 2947 C CB . TRP A 1 385 ? 15.954 17.689 -17.237 1.00 45.31 ? 385 TRP A CB 1 ATOM 2948 C CG . TRP A 1 385 ? 17.329 17.215 -16.896 1.00 44.02 ? 385 TRP A CG 1 ATOM 2949 C CD1 . TRP A 1 385 ? 17.664 16.260 -15.983 1.00 45.71 ? 385 TRP A CD1 1 ATOM 2950 C CD2 . TRP A 1 385 ? 18.551 17.853 -17.280 1.00 43.84 ? 385 TRP A CD2 1 ATOM 2951 N NE1 . TRP A 1 385 ? 19.035 16.207 -15.839 1.00 44.34 ? 385 TRP A NE1 1 ATOM 2952 C CE2 . TRP A 1 385 ? 19.603 17.164 -16.643 1.00 46.76 ? 385 TRP A CE2 1 ATOM 2953 C CE3 . TRP A 1 385 ? 18.863 18.922 -18.150 1.00 46.61 ? 385 TRP A CE3 1 ATOM 2954 C CZ2 . TRP A 1 385 ? 20.943 17.554 -16.784 1.00 47.17 ? 385 TRP A CZ2 1 ATOM 2955 C CZ3 . TRP A 1 385 ? 20.189 19.309 -18.290 1.00 48.62 ? 385 TRP A CZ3 1 ATOM 2956 C CH2 . TRP A 1 385 ? 21.215 18.629 -17.613 1.00 48.82 ? 385 TRP A CH2 1 ATOM 2957 N N . LEU A 1 386 ? 13.426 20.046 -16.292 1.00 50.90 ? 386 LEU A N 1 ATOM 2958 C CA . LEU A 1 386 ? 12.328 20.923 -16.694 1.00 52.68 ? 386 LEU A CA 1 ATOM 2959 C C . LEU A 1 386 ? 12.712 22.384 -16.387 1.00 56.83 ? 386 LEU A C 1 ATOM 2960 O O . LEU A 1 386 ? 12.261 23.296 -17.068 1.00 57.34 ? 386 LEU A O 1 ATOM 2961 C CB . LEU A 1 386 ? 11.040 20.573 -15.927 1.00 53.49 ? 386 LEU A CB 1 ATOM 2962 C CG . LEU A 1 386 ? 9.854 20.040 -16.748 1.00 60.58 ? 386 LEU A CG 1 ATOM 2963 C CD1 . LEU A 1 386 ? 8.599 20.045 -15.912 1.00 60.90 ? 386 LEU A CD1 1 ATOM 2964 C CD2 . LEU A 1 386 ? 9.618 20.853 -18.074 1.00 62.87 ? 386 LEU A CD2 1 ATOM 2965 N N . HIS A 1 387 ? 13.495 22.607 -15.312 1.00 52.54 ? 387 HIS A N 1 ATOM 2966 C CA . HIS A 1 387 ? 13.932 23.946 -14.882 1.00 50.80 ? 387 HIS A CA 1 ATOM 2967 C C . HIS A 1 387 ? 15.432 23.851 -14.588 1.00 50.11 ? 387 HIS A C 1 ATOM 2968 O O . HIS A 1 387 ? 15.817 23.967 -13.438 1.00 48.27 ? 387 HIS A O 1 ATOM 2969 C CB . HIS A 1 387 ? 13.126 24.393 -13.639 1.00 51.00 ? 387 HIS A CB 1 ATOM 2970 C CG . HIS A 1 387 ? 11.644 24.226 -13.793 1.00 55.69 ? 387 HIS A CG 1 ATOM 2971 N ND1 . HIS A 1 387 ? 10.973 23.153 -13.224 1.00 58.17 ? 387 HIS A ND1 1 ATOM 2972 C CD2 . HIS A 1 387 ? 10.756 24.977 -14.478 1.00 59.20 ? 387 HIS A CD2 1 ATOM 2973 C CE1 . HIS A 1 387 ? 9.701 23.304 -13.558 1.00 58.49 ? 387 HIS A CE1 1 ATOM 2974 N NE2 . HIS A 1 387 ? 9.521 24.384 -14.317 1.00 59.65 ? 387 HIS A NE2 1 ATOM 2975 N N . PRO A 1 388 ? 16.301 23.580 -15.595 1.00 46.78 ? 388 PRO A N 1 ATOM 2976 C CA . PRO A 1 388 ? 17.722 23.347 -15.289 1.00 44.99 ? 388 PRO A CA 1 ATOM 2977 C C . PRO A 1 388 ? 18.522 24.541 -14.748 1.00 47.46 ? 388 PRO A C 1 ATOM 2978 O O . PRO A 1 388 ? 19.592 24.331 -14.187 1.00 44.39 ? 388 PRO A O 1 ATOM 2979 C CB . PRO A 1 388 ? 18.284 22.828 -16.622 1.00 47.02 ? 388 PRO A CB 1 ATOM 2980 C CG . PRO A 1 388 ? 17.388 23.372 -17.655 1.00 52.82 ? 388 PRO A CG 1 ATOM 2981 C CD . PRO A 1 388 ? 16.031 23.386 -17.043 1.00 48.95 ? 388 PRO A CD 1 ATOM 2982 N N . GLU A 1 389 ? 18.020 25.765 -14.935 1.00 46.02 ? 389 GLU A N 1 ATOM 2983 C CA . GLU A 1 389 ? 18.690 27.005 -14.533 1.00 45.52 ? 389 GLU A CA 1 ATOM 2984 C C . GLU A 1 389 ? 17.997 27.709 -13.358 1.00 47.45 ? 389 GLU A C 1 ATOM 2985 O O . GLU A 1 389 ? 18.469 28.762 -12.938 1.00 47.01 ? 389 GLU A O 1 ATOM 2986 C CB . GLU A 1 389 ? 18.815 27.965 -15.737 1.00 47.70 ? 389 GLU A CB 1 ATOM 2987 C CG . GLU A 1 389 ? 19.423 27.322 -16.976 1.00 61.99 ? 389 GLU A CG 1 ATOM 2988 C CD . GLU A 1 389 ? 20.704 27.951 -17.481 1.00 96.85 ? 389 GLU A CD 1 ATOM 2989 O OE1 . GLU A 1 389 ? 21.731 27.882 -16.767 1.00 77.15 ? 389 GLU A OE1 1 ATOM 2990 O OE2 . GLU A 1 389 ? 20.689 28.478 -18.617 1.00 107.04 ? 389 GLU A OE2 1 ATOM 2991 N N . ASP A 1 390 ? 16.891 27.137 -12.831 1.00 41.95 ? 390 ASP A N 1 ATOM 2992 C CA . ASP A 1 390 ? 16.157 27.708 -11.700 1.00 41.17 ? 390 ASP A CA 1 ATOM 2993 C C . ASP A 1 390 ? 17.055 27.794 -10.432 1.00 40.05 ? 390 ASP A C 1 ATOM 2994 O O . ASP A 1 390 ? 17.463 26.767 -9.910 1.00 38.65 ? 390 ASP A O 1 ATOM 2995 C CB . ASP A 1 390 ? 14.857 26.929 -11.405 1.00 43.60 ? 390 ASP A CB 1 ATOM 2996 C CG . ASP A 1 390 ? 14.089 27.574 -10.272 1.00 52.48 ? 390 ASP A CG 1 ATOM 2997 O OD1 . ASP A 1 390 ? 13.459 28.612 -10.507 1.00 59.33 ? 390 ASP A OD1 1 ATOM 2998 O OD2 . ASP A 1 390 ? 14.248 27.145 -9.142 1.00 56.60 ? 390 ASP A OD2 1 ATOM 2999 N N . PRO A 1 391 ? 17.351 29.020 -9.950 1.00 37.48 ? 391 PRO A N 1 ATOM 3000 C CA . PRO A 1 391 ? 18.269 29.185 -8.805 1.00 36.83 ? 391 PRO A CA 1 ATOM 3001 C C . PRO A 1 391 ? 17.844 28.556 -7.489 1.00 40.66 ? 391 PRO A C 1 ATOM 3002 O O . PRO A 1 391 ? 18.719 28.130 -6.743 1.00 39.47 ? 391 PRO A O 1 ATOM 3003 C CB . PRO A 1 391 ? 18.404 30.710 -8.664 1.00 39.04 ? 391 PRO A CB 1 ATOM 3004 C CG . PRO A 1 391 ? 17.976 31.249 -9.919 1.00 45.47 ? 391 PRO A CG 1 ATOM 3005 C CD . PRO A 1 391 ? 16.939 30.331 -10.483 1.00 41.09 ? 391 PRO A CD 1 ATOM 3006 N N . THR A 1 392 ? 16.527 28.505 -7.189 1.00 39.87 ? 392 THR A N 1 ATOM 3007 C CA . THR A 1 392 ? 16.010 27.892 -5.943 1.00 39.45 ? 392 THR A CA 1 ATOM 3008 C C . THR A 1 392 ? 16.207 26.379 -6.043 1.00 42.39 ? 392 THR A C 1 ATOM 3009 O O . THR A 1 392 ? 16.617 25.784 -5.065 1.00 39.74 ? 392 THR A O 1 ATOM 3010 C CB . THR A 1 392 ? 14.520 28.234 -5.730 1.00 47.30 ? 392 THR A CB 1 ATOM 3011 O OG1 . THR A 1 392 ? 14.380 29.652 -5.680 1.00 44.22 ? 392 THR A OG1 1 ATOM 3012 C CG2 . THR A 1 392 ? 13.955 27.638 -4.431 1.00 45.13 ? 392 THR A CG2 1 ATOM 3013 N N . HIS A 1 393 ? 15.876 25.755 -7.215 1.00 42.59 ? 393 HIS A N 1 ATOM 3014 C CA . HIS A 1 393 ? 16.084 24.321 -7.339 1.00 43.62 ? 393 HIS A CA 1 ATOM 3015 C C . HIS A 1 393 ? 17.560 23.972 -7.215 1.00 41.31 ? 393 HIS A C 1 ATOM 3016 O O . HIS A 1 393 ? 17.850 23.002 -6.562 1.00 40.67 ? 393 HIS A O 1 ATOM 3017 C CB . HIS A 1 393 ? 15.481 23.690 -8.615 1.00 47.29 ? 393 HIS A CB 1 ATOM 3018 C CG . HIS A 1 393 ? 15.933 22.256 -8.782 1.00 52.87 ? 393 HIS A CG 1 ATOM 3019 N ND1 . HIS A 1 393 ? 15.380 21.220 -8.013 1.00 55.90 ? 393 HIS A ND1 1 ATOM 3020 C CD2 . HIS A 1 393 ? 16.990 21.755 -9.476 1.00 55.62 ? 393 HIS A CD2 1 ATOM 3021 C CE1 . HIS A 1 393 ? 16.062 20.127 -8.335 1.00 55.24 ? 393 HIS A CE1 1 ATOM 3022 N NE2 . HIS A 1 393 ? 17.053 20.401 -9.197 1.00 55.57 ? 393 HIS A NE2 1 ATOM 3023 N N . LEU A 1 394 ? 18.472 24.717 -7.873 1.00 36.85 ? 394 LEU A N 1 ATOM 3024 C CA . LEU A 1 394 ? 19.932 24.493 -7.817 1.00 35.32 ? 394 LEU A CA 1 ATOM 3025 C C . LEU A 1 394 ? 20.481 24.585 -6.391 1.00 38.32 ? 394 LEU A C 1 ATOM 3026 O O . LEU A 1 394 ? 21.288 23.734 -5.971 1.00 37.66 ? 394 LEU A O 1 ATOM 3027 C CB . LEU A 1 394 ? 20.665 25.450 -8.786 1.00 35.27 ? 394 LEU A CB 1 ATOM 3028 C CG . LEU A 1 394 ? 20.368 25.219 -10.285 1.00 40.52 ? 394 LEU A CG 1 ATOM 3029 C CD1 . LEU A 1 394 ? 20.825 26.386 -11.128 1.00 41.56 ? 394 LEU A CD1 1 ATOM 3030 C CD2 . LEU A 1 394 ? 20.967 23.908 -10.784 1.00 41.18 ? 394 LEU A CD2 1 ATOM 3031 N N . ARG A 1 395 ? 19.997 25.577 -5.622 1.00 35.92 ? 395 ARG A N 1 ATOM 3032 C CA . ARG A 1 395 ? 20.358 25.768 -4.206 1.00 35.34 ? 395 ARG A CA 1 ATOM 3033 C C . ARG A 1 395 ? 19.947 24.525 -3.394 1.00 39.30 ? 395 ARG A C 1 ATOM 3034 O O . ARG A 1 395 ? 20.779 23.954 -2.693 1.00 38.48 ? 395 ARG A O 1 ATOM 3035 C CB . ARG A 1 395 ? 19.669 27.030 -3.647 1.00 36.87 ? 395 ARG A CB 1 ATOM 3036 C CG . ARG A 1 395 ? 19.961 27.295 -2.152 1.00 36.64 ? 395 ARG A CG 1 ATOM 3037 C CD . ARG A 1 395 ? 18.701 27.162 -1.347 1.00 44.76 ? 395 ARG A CD 1 ATOM 3038 N NE . ARG A 1 395 ? 18.031 28.437 -1.208 1.00 45.60 ? 395 ARG A NE 1 ATOM 3039 C CZ . ARG A 1 395 ? 16.720 28.605 -1.105 1.00 52.42 ? 395 ARG A CZ 1 ATOM 3040 N NH1 . ARG A 1 395 ? 15.904 27.562 -1.134 1.00 39.71 ? 395 ARG A NH1 1 ATOM 3041 N NH2 . ARG A 1 395 ? 16.216 29.819 -0.958 1.00 48.51 ? 395 ARG A NH2 1 ATOM 3042 N N . ASP A 1 396 ? 18.684 24.084 -3.550 1.00 36.95 ? 396 ASP A N 1 ATOM 3043 C CA . ASP A 1 396 ? 18.129 22.917 -2.856 1.00 37.44 ? 396 ASP A CA 1 ATOM 3044 C C . ASP A 1 396 ? 18.772 21.610 -3.315 1.00 40.19 ? 396 ASP A C 1 ATOM 3045 O O . ASP A 1 396 ? 18.975 20.730 -2.487 1.00 38.01 ? 396 ASP A O 1 ATOM 3046 C CB . ASP A 1 396 ? 16.588 22.872 -3.016 1.00 39.89 ? 396 ASP A CB 1 ATOM 3047 C CG . ASP A 1 396 ? 15.872 24.057 -2.372 1.00 42.99 ? 396 ASP A CG 1 ATOM 3048 O OD1 . ASP A 1 396 ? 16.494 24.746 -1.525 1.00 42.93 ? 396 ASP A OD1 1 ATOM 3049 O OD2 . ASP A 1 396 ? 14.711 24.300 -2.719 1.00 54.15 ? 396 ASP A OD2 1 ATOM 3050 N N . ALA A 1 397 ? 19.123 21.493 -4.622 1.00 36.51 ? 397 ALA A N 1 ATOM 3051 C CA . ALA A 1 397 ? 19.801 20.304 -5.160 1.00 35.33 ? 397 ALA A CA 1 ATOM 3052 C C . ALA A 1 397 ? 21.215 20.222 -4.560 1.00 39.47 ? 397 ALA A C 1 ATOM 3053 O O . ALA A 1 397 ? 21.659 19.141 -4.216 1.00 39.63 ? 397 ALA A O 1 ATOM 3054 C CB . ALA A 1 397 ? 19.875 20.364 -6.684 1.00 36.11 ? 397 ALA A CB 1 ATOM 3055 N N . MET A 1 398 ? 21.905 21.365 -4.404 1.00 36.81 ? 398 MET A N 1 ATOM 3056 C CA . MET A 1 398 ? 23.251 21.412 -3.816 1.00 35.55 ? 398 MET A CA 1 ATOM 3057 C C . MET A 1 398 ? 23.220 20.909 -2.371 1.00 37.95 ? 398 MET A C 1 ATOM 3058 O O . MET A 1 398 ? 24.082 20.125 -1.975 1.00 35.76 ? 398 MET A O 1 ATOM 3059 C CB . MET A 1 398 ? 23.835 22.843 -3.874 1.00 37.18 ? 398 MET A CB 1 ATOM 3060 C CG . MET A 1 398 ? 25.315 22.922 -3.523 1.00 38.95 ? 398 MET A CG 1 ATOM 3061 S SD . MET A 1 398 ? 26.362 22.036 -4.704 1.00 42.59 ? 398 MET A SD 1 ATOM 3062 C CE . MET A 1 398 ? 26.897 20.659 -3.676 1.00 38.14 ? 398 MET A CE 1 ATOM 3063 N N . SER A 1 399 ? 22.204 21.337 -1.606 1.00 35.62 ? 399 SER A N 1 ATOM 3064 C CA . SER A 1 399 ? 22.020 20.924 -0.218 1.00 35.30 ? 399 SER A CA 1 ATOM 3065 C C . SER A 1 399 ? 21.736 19.429 -0.165 1.00 38.69 ? 399 SER A C 1 ATOM 3066 O O . SER A 1 399 ? 22.321 18.733 0.659 1.00 37.97 ? 399 SER A O 1 ATOM 3067 C CB . SER A 1 399 ? 20.888 21.717 0.428 1.00 36.63 ? 399 SER A CB 1 ATOM 3068 O OG . SER A 1 399 ? 20.688 21.248 1.751 1.00 43.71 ? 399 SER A OG 1 ATOM 3069 N N . ALA A 1 400 ? 20.874 18.934 -1.086 1.00 35.56 ? 400 ALA A N 1 ATOM 3070 C CA . ALA A 1 400 ? 20.518 17.511 -1.192 1.00 34.56 ? 400 ALA A CA 1 ATOM 3071 C C . ALA A 1 400 ? 21.740 16.664 -1.571 1.00 35.29 ? 400 ALA A C 1 ATOM 3072 O O . ALA A 1 400 ? 21.935 15.633 -0.976 1.00 34.58 ? 400 ALA A O 1 ATOM 3073 C CB . ALA A 1 400 ? 19.385 17.311 -2.191 1.00 35.52 ? 400 ALA A CB 1 ATOM 3074 N N . VAL A 1 401 ? 22.576 17.105 -2.516 1.00 32.76 ? 401 VAL A N 1 ATOM 3075 C CA . VAL A 1 401 ? 23.811 16.383 -2.876 1.00 32.68 ? 401 VAL A CA 1 ATOM 3076 C C . VAL A 1 401 ? 24.664 16.102 -1.604 1.00 36.28 ? 401 VAL A C 1 ATOM 3077 O O . VAL A 1 401 ? 25.046 14.965 -1.361 1.00 37.15 ? 401 VAL A O 1 ATOM 3078 C CB . VAL A 1 401 ? 24.651 17.155 -3.939 1.00 36.27 ? 401 VAL A CB 1 ATOM 3079 C CG1 . VAL A 1 401 ? 26.085 16.613 -4.023 1.00 35.90 ? 401 VAL A CG1 1 ATOM 3080 C CG2 . VAL A 1 401 ? 23.978 17.130 -5.319 1.00 36.23 ? 401 VAL A CG2 1 ATOM 3081 N N . VAL A 1 402 ? 24.977 17.147 -0.830 1.00 32.60 ? 402 VAL A N 1 ATOM 3082 C CA . VAL A 1 402 ? 25.822 17.078 0.368 1.00 32.69 ? 402 VAL A CA 1 ATOM 3083 C C . VAL A 1 402 ? 25.189 16.188 1.443 1.00 36.51 ? 402 VAL A C 1 ATOM 3084 O O . VAL A 1 402 ? 25.858 15.302 1.969 1.00 35.32 ? 402 VAL A O 1 ATOM 3085 C CB . VAL A 1 402 ? 26.155 18.513 0.884 1.00 36.73 ? 402 VAL A CB 1 ATOM 3086 C CG1 . VAL A 1 402 ? 26.956 18.484 2.195 1.00 36.02 ? 402 VAL A CG1 1 ATOM 3087 C CG2 . VAL A 1 402 ? 26.922 19.282 -0.183 1.00 36.90 ? 402 VAL A CG2 1 ATOM 3088 N N . GLY A 1 403 ? 23.907 16.417 1.713 1.00 33.23 ? 403 GLY A N 1 ATOM 3089 C CA . GLY A 1 403 ? 23.162 15.663 2.711 1.00 33.79 ? 403 GLY A CA 1 ATOM 3090 C C . GLY A 1 403 ? 23.023 14.195 2.375 1.00 38.62 ? 403 GLY A C 1 ATOM 3091 O O . GLY A 1 403 ? 23.205 13.357 3.253 1.00 37.99 ? 403 GLY A O 1 ATOM 3092 N N . ASP A 1 404 ? 22.677 13.875 1.099 1.00 34.24 ? 404 ASP A N 1 ATOM 3093 C CA . ASP A 1 404 ? 22.511 12.497 0.635 1.00 33.27 ? 404 ASP A CA 1 ATOM 3094 C C . ASP A 1 404 ? 23.830 11.750 0.600 1.00 37.70 ? 404 ASP A C 1 ATOM 3095 O O . ASP A 1 404 ? 23.883 10.629 1.066 1.00 37.78 ? 404 ASP A O 1 ATOM 3096 C CB . ASP A 1 404 ? 21.893 12.465 -0.768 1.00 34.67 ? 404 ASP A CB 1 ATOM 3097 C CG . ASP A 1 404 ? 20.473 12.994 -0.825 1.00 40.52 ? 404 ASP A CG 1 ATOM 3098 O OD1 . ASP A 1 404 ? 19.842 13.140 0.253 1.00 39.58 ? 404 ASP A OD1 1 ATOM 3099 O OD2 . ASP A 1 404 ? 20.002 13.286 -1.936 1.00 38.90 ? 404 ASP A OD2 1 ATOM 3100 N N . HIS A 1 405 ? 24.881 12.354 0.020 1.00 33.40 ? 405 HIS A N 1 ATOM 3101 C CA . HIS A 1 405 ? 26.193 11.718 -0.108 1.00 34.00 ? 405 HIS A CA 1 ATOM 3102 C C . HIS A 1 405 ? 26.835 11.401 1.258 1.00 37.20 ? 405 HIS A C 1 ATOM 3103 O O . HIS A 1 405 ? 27.395 10.324 1.454 1.00 34.57 ? 405 HIS A O 1 ATOM 3104 C CB . HIS A 1 405 ? 27.098 12.639 -0.943 1.00 34.01 ? 405 HIS A CB 1 ATOM 3105 C CG . HIS A 1 405 ? 28.555 12.279 -0.997 1.00 36.80 ? 405 HIS A CG 1 ATOM 3106 N ND1 . HIS A 1 405 ? 28.986 11.032 -1.416 1.00 38.43 ? 405 HIS A ND1 1 ATOM 3107 C CD2 . HIS A 1 405 ? 29.637 13.051 -0.744 1.00 37.62 ? 405 HIS A CD2 1 ATOM 3108 C CE1 . HIS A 1 405 ? 30.305 11.090 -1.412 1.00 37.41 ? 405 HIS A CE1 1 ATOM 3109 N NE2 . HIS A 1 405 ? 30.739 12.279 -0.994 1.00 37.51 ? 405 HIS A NE2 1 ATOM 3110 N N . ASN A 1 406 ? 26.760 12.347 2.191 1.00 34.73 ? 406 ASN A N 1 ATOM 3111 C CA . ASN A 1 406 ? 27.437 12.203 3.478 1.00 34.28 ? 406 ASN A CA 1 ATOM 3112 C C . ASN A 1 406 ? 26.646 11.548 4.562 1.00 36.89 ? 406 ASN A C 1 ATOM 3113 O O . ASN A 1 406 ? 27.251 10.936 5.452 1.00 35.90 ? 406 ASN A O 1 ATOM 3114 C CB . ASN A 1 406 ? 27.924 13.563 3.948 1.00 31.54 ? 406 ASN A CB 1 ATOM 3115 C CG . ASN A 1 406 ? 29.013 14.108 3.068 1.00 36.44 ? 406 ASN A CG 1 ATOM 3116 O OD1 . ASN A 1 406 ? 30.108 13.565 3.020 1.00 35.66 ? 406 ASN A OD1 1 ATOM 3117 N ND2 . ASN A 1 406 ? 28.736 15.181 2.337 1.00 27.86 ? 406 ASN A ND2 1 ATOM 3118 N N . VAL A 1 407 ? 25.307 11.714 4.552 1.00 34.48 ? 407 VAL A N 1 ATOM 3119 C CA . VAL A 1 407 ? 24.493 11.196 5.652 1.00 33.05 ? 407 VAL A CA 1 ATOM 3120 C C . VAL A 1 407 ? 23.336 10.289 5.227 1.00 37.74 ? 407 VAL A C 1 ATOM 3121 O O . VAL A 1 407 ? 23.292 9.144 5.692 1.00 37.28 ? 407 VAL A O 1 ATOM 3122 C CB . VAL A 1 407 ? 23.971 12.340 6.579 1.00 35.13 ? 407 VAL A CB 1 ATOM 3123 C CG1 . VAL A 1 407 ? 23.144 11.766 7.733 1.00 34.31 ? 407 VAL A CG1 1 ATOM 3124 C CG2 . VAL A 1 407 ? 25.121 13.190 7.123 1.00 33.58 ? 407 VAL A CG2 1 ATOM 3125 N N . VAL A 1 408 ? 22.374 10.798 4.416 1.00 34.14 ? 408 VAL A N 1 ATOM 3126 C CA . VAL A 1 408 ? 21.154 10.039 4.097 1.00 35.02 ? 408 VAL A CA 1 ATOM 3127 C C . VAL A 1 408 ? 21.454 8.685 3.458 1.00 39.78 ? 408 VAL A C 1 ATOM 3128 O O . VAL A 1 408 ? 20.943 7.675 3.938 1.00 38.59 ? 408 VAL A O 1 ATOM 3129 C CB . VAL A 1 408 ? 20.086 10.832 3.293 1.00 37.78 ? 408 VAL A CB 1 ATOM 3130 C CG1 . VAL A 1 408 ? 18.799 10.014 3.139 1.00 38.61 ? 408 VAL A CG1 1 ATOM 3131 C CG2 . VAL A 1 408 ? 19.771 12.142 3.982 1.00 37.07 ? 408 VAL A CG2 1 ATOM 3132 N N . CYS A 1 409 ? 22.308 8.652 2.417 1.00 36.74 ? 409 CYS A N 1 ATOM 3133 C CA . CYS A 1 409 ? 22.555 7.381 1.742 1.00 37.90 ? 409 CYS A CA 1 ATOM 3134 C C . CYS A 1 409 ? 23.487 6.447 2.545 1.00 39.52 ? 409 CYS A C 1 ATOM 3135 O O . CYS A 1 409 ? 23.085 5.307 2.709 1.00 39.62 ? 409 CYS A O 1 ATOM 3136 C CB . CYS A 1 409 ? 22.979 7.602 0.301 1.00 38.36 ? 409 CYS A CB 1 ATOM 3137 S SG . CYS A 1 409 ? 21.686 8.439 -0.657 1.00 42.68 ? 409 CYS A SG 1 ATOM 3138 N N . PRO A 1 410 ? 24.538 6.908 3.257 1.00 36.47 ? 410 PRO A N 1 ATOM 3139 C CA . PRO A 1 410 ? 25.245 5.996 4.185 1.00 36.07 ? 410 PRO A CA 1 ATOM 3140 C C . PRO A 1 410 ? 24.306 5.402 5.275 1.00 37.95 ? 410 PRO A C 1 ATOM 3141 O O . PRO A 1 410 ? 24.460 4.236 5.635 1.00 38.21 ? 410 PRO A O 1 ATOM 3142 C CB . PRO A 1 410 ? 26.315 6.916 4.797 1.00 36.36 ? 410 PRO A CB 1 ATOM 3143 C CG . PRO A 1 410 ? 26.642 7.869 3.667 1.00 38.93 ? 410 PRO A CG 1 ATOM 3144 C CD . PRO A 1 410 ? 25.260 8.203 3.151 1.00 35.98 ? 410 PRO A CD 1 ATOM 3145 N N . VAL A 1 411 ? 23.321 6.180 5.774 1.00 34.64 ? 411 VAL A N 1 ATOM 3146 C CA . VAL A 1 411 ? 22.321 5.728 6.766 1.00 34.23 ? 411 VAL A CA 1 ATOM 3147 C C . VAL A 1 411 ? 21.443 4.642 6.149 1.00 40.02 ? 411 VAL A C 1 ATOM 3148 O O . VAL A 1 411 ? 21.257 3.603 6.775 1.00 40.94 ? 411 VAL A O 1 ATOM 3149 C CB . VAL A 1 411 ? 21.475 6.876 7.418 1.00 37.87 ? 411 VAL A CB 1 ATOM 3150 C CG1 . VAL A 1 411 ? 20.252 6.316 8.165 1.00 38.23 ? 411 VAL A CG1 1 ATOM 3151 C CG2 . VAL A 1 411 ? 22.314 7.727 8.372 1.00 36.47 ? 411 VAL A CG2 1 ATOM 3152 N N . ALA A 1 412 ? 20.918 4.867 4.902 1.00 37.53 ? 412 ALA A N 1 ATOM 3153 C CA . ALA A 1 412 ? 20.075 3.875 4.222 1.00 38.29 ? 412 ALA A CA 1 ATOM 3154 C C . ALA A 1 412 ? 20.883 2.596 4.010 1.00 41.75 ? 412 ALA A C 1 ATOM 3155 O O . ALA A 1 412 ? 20.360 1.500 4.217 1.00 41.70 ? 412 ALA A O 1 ATOM 3156 C CB . ALA A 1 412 ? 19.589 4.417 2.867 1.00 39.50 ? 412 ALA A CB 1 ATOM 3157 N N . GLN A 1 413 ? 22.176 2.744 3.646 1.00 37.51 ? 413 GLN A N 1 ATOM 3158 C CA . GLN A 1 413 ? 23.071 1.605 3.405 1.00 38.72 ? 413 GLN A CA 1 ATOM 3159 C C . GLN A 1 413 ? 23.238 0.798 4.700 1.00 43.80 ? 413 GLN A C 1 ATOM 3160 O O . GLN A 1 413 ? 23.087 -0.424 4.696 1.00 44.69 ? 413 GLN A O 1 ATOM 3161 C CB . GLN A 1 413 ? 24.437 2.097 2.894 1.00 39.42 ? 413 GLN A CB 1 ATOM 3162 C CG . GLN A 1 413 ? 25.476 1.000 2.703 1.00 44.67 ? 413 GLN A CG 1 ATOM 3163 C CD . GLN A 1 413 ? 25.421 0.366 1.343 1.00 79.68 ? 413 GLN A CD 1 ATOM 3164 O OE1 . GLN A 1 413 ? 24.422 0.432 0.614 1.00 77.41 ? 413 GLN A OE1 1 ATOM 3165 N NE2 . GLN A 1 413 ? 26.461 -0.332 0.999 1.00 84.76 ? 413 GLN A NE2 1 ATOM 3166 N N . LEU A 1 414 ? 23.537 1.497 5.801 1.00 38.86 ? 414 LEU A N 1 ATOM 3167 C CA . LEU A 1 414 ? 23.708 0.890 7.105 1.00 38.06 ? 414 LEU A CA 1 ATOM 3168 C C . LEU A 1 414 ? 22.417 0.183 7.563 1.00 43.61 ? 414 LEU A C 1 ATOM 3169 O O . LEU A 1 414 ? 22.489 -0.988 7.943 1.00 44.62 ? 414 LEU A O 1 ATOM 3170 C CB . LEU A 1 414 ? 24.186 1.927 8.151 1.00 35.74 ? 414 LEU A CB 1 ATOM 3171 C CG . LEU A 1 414 ? 24.355 1.352 9.580 1.00 38.06 ? 414 LEU A CG 1 ATOM 3172 C CD1 . LEU A 1 414 ? 25.535 0.378 9.653 1.00 38.81 ? 414 LEU A CD1 1 ATOM 3173 C CD2 . LEU A 1 414 ? 24.497 2.438 10.595 1.00 38.52 ? 414 LEU A CD2 1 ATOM 3174 N N . ALA A 1 415 ? 21.253 0.877 7.498 1.00 40.60 ? 415 ALA A N 1 ATOM 3175 C CA . ALA A 1 415 ? 19.946 0.305 7.890 1.00 41.36 ? 415 ALA A CA 1 ATOM 3176 C C . ALA A 1 415 ? 19.627 -0.984 7.108 1.00 48.67 ? 415 ALA A C 1 ATOM 3177 O O . ALA A 1 415 ? 19.181 -1.964 7.699 1.00 49.92 ? 415 ALA A O 1 ATOM 3178 C CB . ALA A 1 415 ? 18.838 1.338 7.705 1.00 41.33 ? 415 ALA A CB 1 ATOM 3179 N N . GLY A 1 416 ? 19.918 -0.993 5.804 1.00 47.46 ? 416 GLY A N 1 ATOM 3180 C CA . GLY A 1 416 ? 19.706 -2.162 4.950 1.00 48.01 ? 416 GLY A CA 1 ATOM 3181 C C . GLY A 1 416 ? 20.578 -3.351 5.307 1.00 51.78 ? 416 GLY A C 1 ATOM 3182 O O . GLY A 1 416 ? 20.082 -4.479 5.396 1.00 52.53 ? 416 GLY A O 1 ATOM 3183 N N . ARG A 1 417 ? 21.894 -3.114 5.500 1.00 47.30 ? 417 ARG A N 1 ATOM 3184 C CA . ARG A 1 417 ? 22.863 -4.163 5.843 1.00 47.44 ? 417 ARG A CA 1 ATOM 3185 C C . ARG A 1 417 ? 22.574 -4.739 7.223 1.00 52.32 ? 417 ARG A C 1 ATOM 3186 O O . ARG A 1 417 ? 22.566 -5.960 7.372 1.00 54.18 ? 417 ARG A O 1 ATOM 3187 C CB . ARG A 1 417 ? 24.327 -3.656 5.764 1.00 45.19 ? 417 ARG A CB 1 ATOM 3188 C CG . ARG A 1 417 ? 24.820 -3.183 4.385 1.00 51.13 ? 417 ARG A CG 1 ATOM 3189 C CD . ARG A 1 417 ? 24.579 -4.135 3.215 1.00 63.38 ? 417 ARG A CD 1 ATOM 3190 N NE . ARG A 1 417 ? 25.045 -5.496 3.479 1.00 77.68 ? 417 ARG A NE 1 ATOM 3191 C CZ . ARG A 1 417 ? 25.441 -6.353 2.544 1.00 96.49 ? 417 ARG A CZ 1 ATOM 3192 N NH1 . ARG A 1 417 ? 25.454 -5.994 1.263 1.00 82.53 ? 417 ARG A NH1 1 ATOM 3193 N NH2 . ARG A 1 417 ? 25.851 -7.568 2.883 1.00 86.27 ? 417 ARG A NH2 1 ATOM 3194 N N . LEU A 1 418 ? 22.313 -3.871 8.220 1.00 48.05 ? 418 LEU A N 1 ATOM 3195 C CA . LEU A 1 418 ? 21.991 -4.294 9.584 1.00 48.03 ? 418 LEU A CA 1 ATOM 3196 C C . LEU A 1 418 ? 20.735 -5.167 9.610 1.00 53.18 ? 418 LEU A C 1 ATOM 3197 O O . LEU A 1 418 ? 20.771 -6.237 10.210 1.00 53.70 ? 418 LEU A O 1 ATOM 3198 C CB . LEU A 1 418 ? 21.812 -3.089 10.534 1.00 46.42 ? 418 LEU A CB 1 ATOM 3199 C CG . LEU A 1 418 ? 23.036 -2.249 10.930 1.00 49.24 ? 418 LEU A CG 1 ATOM 3200 C CD1 . LEU A 1 418 ? 22.613 -1.100 11.811 1.00 46.61 ? 418 LEU A CD1 1 ATOM 3201 C CD2 . LEU A 1 418 ? 24.081 -3.072 11.673 1.00 52.09 ? 418 LEU A CD2 1 ATOM 3202 N N . ALA A 1 419 ? 19.643 -4.724 8.943 1.00 50.80 ? 419 ALA A N 1 ATOM 3203 C CA . ALA A 1 419 ? 18.370 -5.462 8.872 1.00 52.60 ? 419 ALA A CA 1 ATOM 3204 C C . ALA A 1 419 ? 18.516 -6.818 8.131 1.00 60.65 ? 419 ALA A C 1 ATOM 3205 O O . ALA A 1 419 ? 17.944 -7.826 8.574 1.00 63.36 ? 419 ALA A O 1 ATOM 3206 C CB . ALA A 1 419 ? 17.296 -4.609 8.211 1.00 52.92 ? 419 ALA A CB 1 ATOM 3207 N N . ALA A 1 420 ? 19.301 -6.857 7.034 1.00 55.71 ? 420 ALA A N 1 ATOM 3208 C CA . ALA A 1 420 ? 19.518 -8.092 6.273 1.00 56.77 ? 420 ALA A CA 1 ATOM 3209 C C . ALA A 1 420 ? 20.363 -9.094 7.060 1.00 63.04 ? 420 ALA A C 1 ATOM 3210 O O . ALA A 1 420 ? 20.254 -10.298 6.828 1.00 64.89 ? 420 ALA A O 1 ATOM 3211 C CB . ALA A 1 420 ? 20.181 -7.782 4.940 1.00 56.86 ? 420 ALA A CB 1 ATOM 3212 N N . GLN A 1 421 ? 21.180 -8.601 8.004 1.00 58.66 ? 421 GLN A N 1 ATOM 3213 C CA . GLN A 1 421 ? 22.080 -9.438 8.785 1.00 58.74 ? 421 GLN A CA 1 ATOM 3214 C C . GLN A 1 421 ? 21.637 -9.653 10.237 1.00 62.22 ? 421 GLN A C 1 ATOM 3215 O O . GLN A 1 421 ? 22.479 -9.864 11.117 1.00 62.13 ? 421 GLN A O 1 ATOM 3216 C CB . GLN A 1 421 ? 23.516 -8.917 8.683 1.00 59.54 ? 421 GLN A CB 1 ATOM 3217 C CG . GLN A 1 421 ? 24.146 -9.381 7.360 1.00 74.16 ? 421 GLN A CG 1 ATOM 3218 C CD . GLN A 1 421 ? 24.920 -8.309 6.658 1.00 88.52 ? 421 GLN A CD 1 ATOM 3219 O OE1 . GLN A 1 421 ? 24.535 -7.829 5.589 1.00 86.12 ? 421 GLN A OE1 1 ATOM 3220 N NE2 . GLN A 1 421 ? 26.055 -7.945 7.213 1.00 77.16 ? 421 GLN A NE2 1 ATOM 3221 N N . GLY A 1 422 ? 20.318 -9.701 10.445 1.00 58.31 ? 422 GLY A N 1 ATOM 3222 C CA . GLY A 1 422 ? 19.697 -10.049 11.722 1.00 57.71 ? 422 GLY A CA 1 ATOM 3223 C C . GLY A 1 422 ? 19.356 -8.984 12.743 1.00 59.19 ? 422 GLY A C 1 ATOM 3224 O O . GLY A 1 422 ? 18.738 -9.302 13.756 1.00 59.84 ? 422 GLY A O 1 ATOM 3225 N N . ALA A 1 423 ? 19.719 -7.732 12.515 1.00 53.06 ? 423 ALA A N 1 ATOM 3226 C CA . ALA A 1 423 ? 19.414 -6.712 13.522 1.00 50.20 ? 423 ALA A CA 1 ATOM 3227 C C . ALA A 1 423 ? 17.994 -6.201 13.468 1.00 51.72 ? 423 ALA A C 1 ATOM 3228 O O . ALA A 1 423 ? 17.366 -6.247 12.417 1.00 51.20 ? 423 ALA A O 1 ATOM 3229 C CB . ALA A 1 423 ? 20.386 -5.534 13.402 1.00 48.72 ? 423 ALA A CB 1 ATOM 3230 N N . ARG A 1 424 ? 17.499 -5.705 14.625 1.00 47.54 ? 424 ARG A N 1 ATOM 3231 C CA A ARG A 1 424 ? 16.192 -5.059 14.731 0.50 46.34 ? 424 ARG A CA 1 ATOM 3232 C CA B ARG A 1 424 ? 16.190 -5.058 14.712 0.50 46.45 ? 424 ARG A CA 1 ATOM 3233 C C . ARG A 1 424 ? 16.530 -3.591 14.504 1.00 46.19 ? 424 ARG A C 1 ATOM 3234 O O . ARG A 1 424 ? 17.324 -3.034 15.259 1.00 43.43 ? 424 ARG A O 1 ATOM 3235 C CB A ARG A 1 424 ? 15.580 -5.272 16.131 0.50 45.92 ? 424 ARG A CB 1 ATOM 3236 C CB B ARG A 1 424 ? 15.523 -5.288 16.085 0.50 46.68 ? 424 ARG A CB 1 ATOM 3237 C CG A ARG A 1 424 ? 14.146 -4.762 16.262 0.50 56.71 ? 424 ARG A CG 1 ATOM 3238 C CG B ARG A 1 424 ? 14.047 -4.888 16.120 0.50 59.35 ? 424 ARG A CG 1 ATOM 3239 C CD A ARG A 1 424 ? 13.641 -4.809 17.701 0.50 67.70 ? 424 ARG A CD 1 ATOM 3240 C CD B ARG A 1 424 ? 13.382 -5.359 17.408 0.50 73.94 ? 424 ARG A CD 1 ATOM 3241 N NE A ARG A 1 424 ? 13.468 -6.177 18.203 0.50 72.87 ? 424 ARG A NE 1 ATOM 3242 N NE B ARG A 1 424 ? 11.929 -5.164 17.410 0.50 77.31 ? 424 ARG A NE 1 ATOM 3243 C CZ A ARG A 1 424 ? 13.232 -6.485 19.473 0.50 78.49 ? 424 ARG A CZ 1 ATOM 3244 C CZ B ARG A 1 424 ? 11.046 -6.055 16.966 0.50 89.96 ? 424 ARG A CZ 1 ATOM 3245 N NH1 A ARG A 1 424 ? 13.128 -5.528 20.388 0.50 57.00 ? 424 ARG A NH1 1 ATOM 3246 N NH1 B ARG A 1 424 ? 11.456 -7.214 16.461 0.50 77.45 ? 424 ARG A NH1 1 ATOM 3247 N NH2 A ARG A 1 424 ? 13.094 -7.753 19.840 0.50 63.18 ? 424 ARG A NH2 1 ATOM 3248 N NH2 B ARG A 1 424 ? 9.747 -5.793 17.018 0.50 74.17 ? 424 ARG A NH2 1 ATOM 3249 N N . VAL A 1 425 ? 16.017 -2.998 13.417 1.00 41.87 ? 425 VAL A N 1 ATOM 3250 C CA . VAL A 1 425 ? 16.304 -1.609 13.047 1.00 39.17 ? 425 VAL A CA 1 ATOM 3251 C C . VAL A 1 425 ? 15.019 -0.802 13.059 1.00 43.24 ? 425 VAL A C 1 ATOM 3252 O O . VAL A 1 425 ? 14.027 -1.276 12.534 1.00 44.14 ? 425 VAL A O 1 ATOM 3253 C CB . VAL A 1 425 ? 17.007 -1.514 11.642 1.00 41.67 ? 425 VAL A CB 1 ATOM 3254 C CG1 . VAL A 1 425 ? 17.445 -0.073 11.321 1.00 38.70 ? 425 VAL A CG1 1 ATOM 3255 C CG2 . VAL A 1 425 ? 18.188 -2.483 11.517 1.00 41.40 ? 425 VAL A CG2 1 ATOM 3256 N N . TYR A 1 426 ? 15.050 0.424 13.625 1.00 38.65 ? 426 TYR A N 1 ATOM 3257 C CA . TYR A 1 426 ? 13.952 1.397 13.565 1.00 38.04 ? 426 TYR A CA 1 ATOM 3258 C C . TYR A 1 426 ? 14.560 2.616 12.908 1.00 40.58 ? 426 TYR A C 1 ATOM 3259 O O . TYR A 1 426 ? 15.662 3.023 13.281 1.00 39.52 ? 426 TYR A O 1 ATOM 3260 C CB . TYR A 1 426 ? 13.416 1.765 14.965 1.00 38.37 ? 426 TYR A CB 1 ATOM 3261 C CG . TYR A 1 426 ? 12.690 0.617 15.628 1.00 40.53 ? 426 TYR A CG 1 ATOM 3262 C CD1 . TYR A 1 426 ? 11.337 0.383 15.380 1.00 42.61 ? 426 TYR A CD1 1 ATOM 3263 C CD2 . TYR A 1 426 ? 13.365 -0.270 16.468 1.00 41.07 ? 426 TYR A CD2 1 ATOM 3264 C CE1 . TYR A 1 426 ? 10.675 -0.710 15.947 1.00 44.51 ? 426 TYR A CE1 1 ATOM 3265 C CE2 . TYR A 1 426 ? 12.714 -1.365 17.038 1.00 42.91 ? 426 TYR A CE2 1 ATOM 3266 C CZ . TYR A 1 426 ? 11.368 -1.578 16.779 1.00 49.66 ? 426 TYR A CZ 1 ATOM 3267 O OH . TYR A 1 426 ? 10.714 -2.632 17.374 1.00 51.42 ? 426 TYR A OH 1 ATOM 3268 N N . ALA A 1 427 ? 13.890 3.179 11.905 1.00 36.96 ? 427 ALA A N 1 ATOM 3269 C CA . ALA A 1 427 ? 14.447 4.335 11.202 1.00 36.06 ? 427 ALA A CA 1 ATOM 3270 C C . ALA A 1 427 ? 13.492 5.515 11.231 1.00 40.84 ? 427 ALA A C 1 ATOM 3271 O O . ALA A 1 427 ? 12.274 5.320 11.296 1.00 41.58 ? 427 ALA A O 1 ATOM 3272 C CB . ALA A 1 427 ? 14.802 3.961 9.751 1.00 36.35 ? 427 ALA A CB 1 ATOM 3273 N N . TYR A 1 428 ? 14.037 6.735 11.162 1.00 36.21 ? 428 TYR A N 1 ATOM 3274 C CA . TYR A 1 428 ? 13.215 7.946 11.162 1.00 36.08 ? 428 TYR A CA 1 ATOM 3275 C C . TYR A 1 428 ? 13.784 9.041 10.261 1.00 40.18 ? 428 TYR A C 1 ATOM 3276 O O . TYR A 1 428 ? 14.964 9.012 9.891 1.00 37.76 ? 428 TYR A O 1 ATOM 3277 C CB . TYR A 1 428 ? 13.033 8.503 12.618 1.00 35.89 ? 428 TYR A CB 1 ATOM 3278 C CG . TYR A 1 428 ? 14.316 9.061 13.212 1.00 35.36 ? 428 TYR A CG 1 ATOM 3279 C CD1 . TYR A 1 428 ? 14.759 10.344 12.888 1.00 36.23 ? 428 TYR A CD1 1 ATOM 3280 C CD2 . TYR A 1 428 ? 15.128 8.279 14.033 1.00 34.03 ? 428 TYR A CD2 1 ATOM 3281 C CE1 . TYR A 1 428 ? 15.987 10.829 13.345 1.00 33.36 ? 428 TYR A CE1 1 ATOM 3282 C CE2 . TYR A 1 428 ? 16.347 8.764 14.520 1.00 33.34 ? 428 TYR A CE2 1 ATOM 3283 C CZ . TYR A 1 428 ? 16.774 10.038 14.166 1.00 40.37 ? 428 TYR A CZ 1 ATOM 3284 O OH . TYR A 1 428 ? 17.990 10.519 14.597 1.00 33.93 ? 428 TYR A OH 1 ATOM 3285 N N . ILE A 1 429 ? 12.941 10.049 9.967 1.00 37.28 ? 429 ILE A N 1 ATOM 3286 C CA . ILE A 1 429 ? 13.335 11.321 9.364 1.00 35.81 ? 429 ILE A CA 1 ATOM 3287 C C . ILE A 1 429 ? 12.759 12.371 10.315 1.00 40.13 ? 429 ILE A C 1 ATOM 3288 O O . ILE A 1 429 ? 11.573 12.297 10.654 1.00 40.98 ? 429 ILE A O 1 ATOM 3289 C CB . ILE A 1 429 ? 12.962 11.558 7.873 1.00 40.17 ? 429 ILE A CB 1 ATOM 3290 C CG1 . ILE A 1 429 ? 13.517 12.941 7.409 1.00 39.65 ? 429 ILE A CG1 1 ATOM 3291 C CG2 . ILE A 1 429 ? 11.439 11.436 7.621 1.00 43.36 ? 429 ILE A CG2 1 ATOM 3292 C CD1 . ILE A 1 429 ? 13.715 13.140 5.891 1.00 46.09 ? 429 ILE A CD1 1 ATOM 3293 N N . PHE A 1 430 ? 13.600 13.292 10.801 1.00 35.20 ? 430 PHE A N 1 ATOM 3294 C CA . PHE A 1 430 ? 13.179 14.359 11.715 1.00 34.86 ? 430 PHE A CA 1 ATOM 3295 C C . PHE A 1 430 ? 12.964 15.608 10.877 1.00 37.61 ? 430 PHE A C 1 ATOM 3296 O O . PHE A 1 430 ? 13.897 16.096 10.236 1.00 34.04 ? 430 PHE A O 1 ATOM 3297 C CB . PHE A 1 430 ? 14.231 14.577 12.815 1.00 34.72 ? 430 PHE A CB 1 ATOM 3298 C CG . PHE A 1 430 ? 13.852 15.601 13.846 1.00 35.29 ? 430 PHE A CG 1 ATOM 3299 C CD1 . PHE A 1 430 ? 14.114 16.948 13.640 1.00 37.41 ? 430 PHE A CD1 1 ATOM 3300 C CD2 . PHE A 1 430 ? 13.311 15.211 15.070 1.00 36.64 ? 430 PHE A CD2 1 ATOM 3301 C CE1 . PHE A 1 430 ? 13.808 17.890 14.628 1.00 38.24 ? 430 PHE A CE1 1 ATOM 3302 C CE2 . PHE A 1 430 ? 13.032 16.147 16.057 1.00 39.06 ? 430 PHE A CE2 1 ATOM 3303 C CZ . PHE A 1 430 ? 13.253 17.485 15.818 1.00 37.46 ? 430 PHE A CZ 1 ATOM 3304 N N . GLU A 1 431 ? 11.725 16.123 10.876 1.00 37.59 ? 431 GLU A N 1 ATOM 3305 C CA . GLU A 1 431 ? 11.371 17.229 9.977 1.00 39.03 ? 431 GLU A CA 1 ATOM 3306 C C . GLU A 1 431 ? 10.937 18.491 10.642 1.00 44.65 ? 431 GLU A C 1 ATOM 3307 O O . GLU A 1 431 ? 10.513 19.416 9.952 1.00 45.27 ? 431 GLU A O 1 ATOM 3308 C CB . GLU A 1 431 ? 10.258 16.785 9.019 1.00 41.21 ? 431 GLU A CB 1 ATOM 3309 C CG . GLU A 1 431 ? 10.544 15.506 8.276 1.00 47.69 ? 431 GLU A CG 1 ATOM 3310 C CD . GLU A 1 431 ? 9.443 15.144 7.306 1.00 54.73 ? 431 GLU A CD 1 ATOM 3311 O OE1 . GLU A 1 431 ? 8.258 15.120 7.714 1.00 51.53 ? 431 GLU A OE1 1 ATOM 3312 O OE2 . GLU A 1 431 ? 9.770 14.913 6.121 1.00 48.75 ? 431 GLU A OE2 1 ATOM 3313 N N . HIS A 1 432 ? 11.002 18.545 11.964 1.00 41.73 ? 432 HIS A N 1 ATOM 3314 C CA . HIS A 1 432 ? 10.566 19.754 12.641 1.00 41.79 ? 432 HIS A CA 1 ATOM 3315 C C . HIS A 1 432 ? 11.699 20.777 12.795 1.00 44.35 ? 432 HIS A C 1 ATOM 3316 O O . HIS A 1 432 ? 12.763 20.467 13.356 1.00 41.19 ? 432 HIS A O 1 ATOM 3317 C CB . HIS A 1 432 ? 9.884 19.441 13.988 1.00 42.56 ? 432 HIS A CB 1 ATOM 3318 C CG . HIS A 1 432 ? 9.601 20.680 14.765 1.00 45.42 ? 432 HIS A CG 1 ATOM 3319 N ND1 . HIS A 1 432 ? 8.606 21.558 14.373 1.00 47.26 ? 432 HIS A ND1 1 ATOM 3320 C CD2 . HIS A 1 432 ? 10.272 21.213 15.808 1.00 45.79 ? 432 HIS A CD2 1 ATOM 3321 C CE1 . HIS A 1 432 ? 8.666 22.565 15.223 1.00 46.76 ? 432 HIS A CE1 1 ATOM 3322 N NE2 . HIS A 1 432 ? 9.648 22.400 16.106 1.00 46.57 ? 432 HIS A NE2 1 ATOM 3323 N N . ARG A 1 433 ? 11.439 22.009 12.329 1.00 41.26 ? 433 ARG A N 1 ATOM 3324 C CA . ARG A 1 433 ? 12.387 23.114 12.467 1.00 41.39 ? 433 ARG A CA 1 ATOM 3325 C C . ARG A 1 433 ? 12.057 23.874 13.765 1.00 45.67 ? 433 ARG A C 1 ATOM 3326 O O . ARG A 1 433 ? 10.939 24.365 13.909 1.00 45.59 ? 433 ARG A O 1 ATOM 3327 C CB . ARG A 1 433 ? 12.289 24.043 11.239 1.00 41.19 ? 433 ARG A CB 1 ATOM 3328 C CG . ARG A 1 433 ? 13.298 25.168 11.284 1.00 46.62 ? 433 ARG A CG 1 ATOM 3329 C CD . ARG A 1 433 ? 13.123 26.107 10.112 1.00 49.44 ? 433 ARG A CD 1 ATOM 3330 N NE . ARG A 1 433 ? 13.562 27.453 10.463 1.00 45.55 ? 433 ARG A NE 1 ATOM 3331 C CZ . ARG A 1 433 ? 14.723 27.989 10.116 1.00 55.82 ? 433 ARG A CZ 1 ATOM 3332 N NH1 . ARG A 1 433 ? 15.588 27.302 9.376 1.00 45.87 ? 433 ARG A NH1 1 ATOM 3333 N NH2 . ARG A 1 433 ? 15.023 29.225 10.488 1.00 47.76 ? 433 ARG A NH2 1 ATOM 3334 N N . ALA A 1 434 ? 13.022 23.964 14.715 1.00 42.54 ? 434 ALA A N 1 ATOM 3335 C CA . ALA A 1 434 ? 12.787 24.660 15.988 1.00 42.43 ? 434 ALA A CA 1 ATOM 3336 C C . ALA A 1 434 ? 12.278 26.089 15.713 1.00 45.34 ? 434 ALA A C 1 ATOM 3337 O O . ALA A 1 434 ? 12.831 26.776 14.855 1.00 41.57 ? 434 ALA A O 1 ATOM 3338 C CB . ALA A 1 434 ? 14.068 24.714 16.804 1.00 42.16 ? 434 ALA A CB 1 ATOM 3339 N N . SER A 1 435 ? 11.224 26.522 16.440 1.00 44.70 ? 435 SER A N 1 ATOM 3340 C CA . SER A 1 435 ? 10.639 27.875 16.316 1.00 45.84 ? 435 SER A CA 1 ATOM 3341 C C . SER A 1 435 ? 11.693 28.941 16.687 1.00 52.10 ? 435 SER A C 1 ATOM 3342 O O . SER A 1 435 ? 11.647 30.060 16.198 1.00 53.09 ? 435 SER A O 1 ATOM 3343 C CB . SER A 1 435 ? 9.423 28.015 17.229 1.00 47.35 ? 435 SER A CB 1 ATOM 3344 O OG . SER A 1 435 ? 9.794 27.885 18.593 1.00 47.84 ? 435 SER A OG 1 ATOM 3345 N N . THR A 1 436 ? 12.647 28.542 17.521 1.00 50.03 ? 436 THR A N 1 ATOM 3346 C CA . THR A 1 436 ? 13.765 29.324 18.047 1.00 51.75 ? 436 THR A CA 1 ATOM 3347 C C . THR A 1 436 ? 14.995 29.425 17.090 1.00 56.84 ? 436 THR A C 1 ATOM 3348 O O . THR A 1 436 ? 15.841 30.289 17.316 1.00 58.14 ? 436 THR A O 1 ATOM 3349 C CB . THR A 1 436 ? 14.168 28.759 19.432 1.00 59.59 ? 436 THR A CB 1 ATOM 3350 O OG1 . THR A 1 436 ? 14.512 27.374 19.302 1.00 61.21 ? 436 THR A OG1 1 ATOM 3351 C CG2 . THR A 1 436 ? 13.060 28.908 20.476 1.00 59.28 ? 436 THR A CG2 1 ATOM 3352 N N . LEU A 1 437 ? 15.071 28.583 16.019 1.00 51.50 ? 437 LEU A N 1 ATOM 3353 C CA . LEU A 1 437 ? 16.176 28.514 15.043 1.00 48.96 ? 437 LEU A CA 1 ATOM 3354 C C . LEU A 1 437 ? 16.589 29.881 14.452 1.00 49.08 ? 437 LEU A C 1 ATOM 3355 O O . LEU A 1 437 ? 15.738 30.598 13.940 1.00 48.95 ? 437 LEU A O 1 ATOM 3356 C CB . LEU A 1 437 ? 15.827 27.495 13.926 1.00 48.89 ? 437 LEU A CB 1 ATOM 3357 C CG . LEU A 1 437 ? 16.956 26.632 13.270 1.00 53.07 ? 437 LEU A CG 1 ATOM 3358 C CD1 . LEU A 1 437 ? 18.276 26.730 13.984 1.00 51.41 ? 437 LEU A CD1 1 ATOM 3359 C CD2 . LEU A 1 437 ? 16.545 25.182 13.153 1.00 55.27 ? 437 LEU A CD2 1 ATOM 3360 N N . THR A 1 438 ? 17.902 30.231 14.527 1.00 43.94 ? 438 THR A N 1 ATOM 3361 C CA . THR A 1 438 ? 18.446 31.515 14.025 1.00 43.66 ? 438 THR A CA 1 ATOM 3362 C C . THR A 1 438 ? 19.105 31.411 12.658 1.00 46.78 ? 438 THR A C 1 ATOM 3363 O O . THR A 1 438 ? 19.453 32.435 12.059 1.00 47.52 ? 438 THR A O 1 ATOM 3364 C CB . THR A 1 438 ? 19.408 32.188 15.038 1.00 48.53 ? 438 THR A CB 1 ATOM 3365 O OG1 . THR A 1 438 ? 20.518 31.322 15.298 1.00 49.80 ? 438 THR A OG1 1 ATOM 3366 C CG2 . THR A 1 438 ? 18.722 32.576 16.331 1.00 49.52 ? 438 THR A CG2 1 ATOM 3367 N N . TRP A 1 439 ? 19.310 30.190 12.159 1.00 42.15 ? 439 TRP A N 1 ATOM 3368 C CA . TRP A 1 439 ? 19.832 29.989 10.796 1.00 40.09 ? 439 TRP A CA 1 ATOM 3369 C C . TRP A 1 439 ? 18.691 30.365 9.844 1.00 42.92 ? 439 TRP A C 1 ATOM 3370 O O . TRP A 1 439 ? 17.541 30.311 10.275 1.00 42.93 ? 439 TRP A O 1 ATOM 3371 C CB . TRP A 1 439 ? 20.244 28.528 10.588 1.00 37.16 ? 439 TRP A CB 1 ATOM 3372 C CG . TRP A 1 439 ? 21.499 28.171 11.328 1.00 36.60 ? 439 TRP A CG 1 ATOM 3373 C CD1 . TRP A 1 439 ? 21.597 27.461 12.483 1.00 38.62 ? 439 TRP A CD1 1 ATOM 3374 C CD2 . TRP A 1 439 ? 22.838 28.533 10.962 1.00 36.14 ? 439 TRP A CD2 1 ATOM 3375 N NE1 . TRP A 1 439 ? 22.915 27.316 12.840 1.00 37.86 ? 439 TRP A NE1 1 ATOM 3376 C CE2 . TRP A 1 439 ? 23.699 27.987 11.941 1.00 39.26 ? 439 TRP A CE2 1 ATOM 3377 C CE3 . TRP A 1 439 ? 23.396 29.264 9.891 1.00 36.95 ? 439 TRP A CE3 1 ATOM 3378 C CZ2 . TRP A 1 439 ? 25.090 28.129 11.877 1.00 38.09 ? 439 TRP A CZ2 1 ATOM 3379 C CZ3 . TRP A 1 439 ? 24.773 29.383 9.813 1.00 38.13 ? 439 TRP A CZ3 1 ATOM 3380 C CH2 . TRP A 1 439 ? 25.607 28.821 10.800 1.00 38.71 ? 439 TRP A CH2 1 ATOM 3381 N N . PRO A 1 440 ? 18.948 30.826 8.595 1.00 39.63 ? 440 PRO A N 1 ATOM 3382 C CA . PRO A 1 440 ? 17.828 31.201 7.707 1.00 39.46 ? 440 PRO A CA 1 ATOM 3383 C C . PRO A 1 440 ? 16.883 30.035 7.373 1.00 45.11 ? 440 PRO A C 1 ATOM 3384 O O . PRO A 1 440 ? 17.283 28.868 7.454 1.00 42.16 ? 440 PRO A O 1 ATOM 3385 C CB . PRO A 1 440 ? 18.548 31.712 6.457 1.00 40.69 ? 440 PRO A CB 1 ATOM 3386 C CG . PRO A 1 440 ? 19.823 30.981 6.434 1.00 44.57 ? 440 PRO A CG 1 ATOM 3387 C CD . PRO A 1 440 ? 20.242 30.967 7.890 1.00 40.30 ? 440 PRO A CD 1 ATOM 3388 N N . LEU A 1 441 ? 15.629 30.358 6.980 1.00 44.54 ? 441 LEU A N 1 ATOM 3389 C CA . LEU A 1 441 ? 14.605 29.380 6.612 1.00 45.51 ? 441 LEU A CA 1 ATOM 3390 C C . LEU A 1 441 ? 15.031 28.439 5.498 1.00 48.88 ? 441 LEU A C 1 ATOM 3391 O O . LEU A 1 441 ? 14.616 27.281 5.532 1.00 50.60 ? 441 LEU A O 1 ATOM 3392 C CB . LEU A 1 441 ? 13.280 30.056 6.216 1.00 47.70 ? 441 LEU A CB 1 ATOM 3393 C CG . LEU A 1 441 ? 12.525 30.799 7.319 1.00 55.50 ? 441 LEU A CG 1 ATOM 3394 C CD1 . LEU A 1 441 ? 11.432 31.675 6.708 1.00 57.82 ? 441 LEU A CD1 1 ATOM 3395 C CD2 . LEU A 1 441 ? 11.935 29.831 8.362 1.00 58.16 ? 441 LEU A CD2 1 ATOM 3396 N N . TRP A 1 442 ? 15.846 28.908 4.518 1.00 43.57 ? 442 TRP A N 1 ATOM 3397 C CA . TRP A 1 442 ? 16.287 28.058 3.396 1.00 43.13 ? 442 TRP A CA 1 ATOM 3398 C C . TRP A 1 442 ? 17.092 26.841 3.886 1.00 44.92 ? 442 TRP A C 1 ATOM 3399 O O . TRP A 1 442 ? 17.101 25.795 3.240 1.00 44.53 ? 442 TRP A O 1 ATOM 3400 C CB . TRP A 1 442 ? 17.032 28.846 2.273 1.00 41.27 ? 442 TRP A CB 1 ATOM 3401 C CG . TRP A 1 442 ? 18.441 29.298 2.576 1.00 41.12 ? 442 TRP A CG 1 ATOM 3402 C CD1 . TRP A 1 442 ? 18.838 30.562 2.909 1.00 44.12 ? 442 TRP A CD1 1 ATOM 3403 C CD2 . TRP A 1 442 ? 19.649 28.508 2.493 1.00 40.14 ? 442 TRP A CD2 1 ATOM 3404 N NE1 . TRP A 1 442 ? 20.210 30.599 3.088 1.00 42.21 ? 442 TRP A NE1 1 ATOM 3405 C CE2 . TRP A 1 442 ? 20.730 29.356 2.829 1.00 42.88 ? 442 TRP A CE2 1 ATOM 3406 C CE3 . TRP A 1 442 ? 19.920 27.157 2.191 1.00 41.20 ? 442 TRP A CE3 1 ATOM 3407 C CZ2 . TRP A 1 442 ? 22.056 28.900 2.878 1.00 42.13 ? 442 TRP A CZ2 1 ATOM 3408 C CZ3 . TRP A 1 442 ? 21.235 26.708 2.239 1.00 41.77 ? 442 TRP A CZ3 1 ATOM 3409 C CH2 . TRP A 1 442 ? 22.286 27.574 2.580 1.00 42.08 ? 442 TRP A CH2 1 ATOM 3410 N N . MET A 1 443 ? 17.739 26.976 5.040 1.00 40.40 ? 443 MET A N 1 ATOM 3411 C CA . MET A 1 443 ? 18.556 25.905 5.617 1.00 38.44 ? 443 MET A CA 1 ATOM 3412 C C . MET A 1 443 ? 17.719 24.769 6.227 1.00 41.09 ? 443 MET A C 1 ATOM 3413 O O . MET A 1 443 ? 18.261 23.702 6.501 1.00 40.37 ? 443 MET A O 1 ATOM 3414 C CB . MET A 1 443 ? 19.577 26.475 6.608 1.00 39.58 ? 443 MET A CB 1 ATOM 3415 C CG . MET A 1 443 ? 20.743 27.127 5.890 1.00 41.94 ? 443 MET A CG 1 ATOM 3416 S SD . MET A 1 443 ? 22.006 27.823 6.999 1.00 44.32 ? 443 MET A SD 1 ATOM 3417 C CE . MET A 1 443 ? 22.648 26.424 7.646 1.00 40.66 ? 443 MET A CE 1 ATOM 3418 N N . GLY A 1 444 ? 16.422 25.007 6.377 1.00 37.63 ? 444 GLY A N 1 ATOM 3419 C CA . GLY A 1 444 ? 15.442 24.053 6.869 1.00 38.66 ? 444 GLY A CA 1 ATOM 3420 C C . GLY A 1 444 ? 15.745 23.523 8.257 1.00 41.58 ? 444 GLY A C 1 ATOM 3421 O O . GLY A 1 444 ? 15.849 24.306 9.203 1.00 40.83 ? 444 GLY A O 1 ATOM 3422 N N . VAL A 1 445 ? 15.897 22.188 8.381 1.00 36.53 ? 445 VAL A N 1 ATOM 3423 C CA . VAL A 1 445 ? 16.265 21.536 9.664 1.00 35.26 ? 445 VAL A CA 1 ATOM 3424 C C . VAL A 1 445 ? 17.750 21.129 9.519 1.00 37.23 ? 445 VAL A C 1 ATOM 3425 O O . VAL A 1 445 ? 18.025 20.069 8.947 1.00 34.32 ? 445 VAL A O 1 ATOM 3426 C CB . VAL A 1 445 ? 15.362 20.302 10.014 1.00 38.00 ? 445 VAL A CB 1 ATOM 3427 C CG1 . VAL A 1 445 ? 15.701 19.743 11.400 1.00 36.44 ? 445 VAL A CG1 1 ATOM 3428 C CG2 . VAL A 1 445 ? 13.876 20.642 9.919 1.00 38.38 ? 445 VAL A CG2 1 ATOM 3429 N N . PRO A 1 446 ? 18.728 21.956 9.947 1.00 33.59 ? 446 PRO A N 1 ATOM 3430 C CA . PRO A 1 446 ? 20.129 21.568 9.769 1.00 34.00 ? 446 PRO A CA 1 ATOM 3431 C C . PRO A 1 446 ? 20.558 20.456 10.738 1.00 38.61 ? 446 PRO A C 1 ATOM 3432 O O . PRO A 1 446 ? 19.859 20.173 11.722 1.00 35.52 ? 446 PRO A O 1 ATOM 3433 C CB . PRO A 1 446 ? 20.900 22.879 10.031 1.00 35.27 ? 446 PRO A CB 1 ATOM 3434 C CG . PRO A 1 446 ? 19.855 23.956 10.147 1.00 39.36 ? 446 PRO A CG 1 ATOM 3435 C CD . PRO A 1 446 ? 18.637 23.257 10.630 1.00 35.30 ? 446 PRO A CD 1 ATOM 3436 N N . HIS A 1 447 ? 21.735 19.842 10.471 1.00 38.33 ? 447 HIS A N 1 ATOM 3437 C CA . HIS A 1 447 ? 22.209 18.744 11.309 1.00 40.12 ? 447 HIS A CA 1 ATOM 3438 C C . HIS A 1 447 ? 22.423 19.189 12.738 1.00 39.32 ? 447 HIS A C 1 ATOM 3439 O O . HIS A 1 447 ? 22.927 20.286 12.980 1.00 37.94 ? 447 HIS A O 1 ATOM 3440 C CB . HIS A 1 447 ? 23.439 18.029 10.706 1.00 43.25 ? 447 HIS A CB 1 ATOM 3441 C CG . HIS A 1 447 ? 24.757 18.664 11.010 1.00 47.57 ? 447 HIS A CG 1 ATOM 3442 N ND1 . HIS A 1 447 ? 25.738 17.980 11.721 1.00 49.62 ? 447 HIS A ND1 1 ATOM 3443 C CD2 . HIS A 1 447 ? 25.220 19.897 10.688 1.00 50.25 ? 447 HIS A CD2 1 ATOM 3444 C CE1 . HIS A 1 447 ? 26.758 18.821 11.823 1.00 49.32 ? 447 HIS A CE1 1 ATOM 3445 N NE2 . HIS A 1 447 ? 26.494 19.992 11.220 1.00 50.13 ? 447 HIS A NE2 1 ATOM 3446 N N . GLY A 1 448 ? 21.896 18.390 13.660 1.00 34.71 ? 448 GLY A N 1 ATOM 3447 C CA . GLY A 1 448 ? 21.997 18.641 15.089 1.00 33.20 ? 448 GLY A CA 1 ATOM 3448 C C . GLY A 1 448 ? 20.825 19.359 15.710 1.00 36.57 ? 448 GLY A C 1 ATOM 3449 O O . GLY A 1 448 ? 20.762 19.442 16.932 1.00 35.04 ? 448 GLY A O 1 ATOM 3450 N N . TYR A 1 449 ? 19.854 19.846 14.900 1.00 33.65 ? 449 TYR A N 1 ATOM 3451 C CA . TYR A 1 449 ? 18.746 20.621 15.459 1.00 33.67 ? 449 TYR A CA 1 ATOM 3452 C C . TYR A 1 449 ? 17.553 19.765 15.920 1.00 37.98 ? 449 TYR A C 1 ATOM 3453 O O . TYR A 1 449 ? 16.530 20.306 16.336 1.00 37.86 ? 449 TYR A O 1 ATOM 3454 C CB . TYR A 1 449 ? 18.351 21.787 14.533 1.00 34.37 ? 449 TYR A CB 1 ATOM 3455 C CG . TYR A 1 449 ? 19.389 22.886 14.691 1.00 34.17 ? 449 TYR A CG 1 ATOM 3456 C CD1 . TYR A 1 449 ? 19.344 23.763 15.774 1.00 36.15 ? 449 TYR A CD1 1 ATOM 3457 C CD2 . TYR A 1 449 ? 20.502 22.944 13.857 1.00 32.86 ? 449 TYR A CD2 1 ATOM 3458 C CE1 . TYR A 1 449 ? 20.336 24.727 15.967 1.00 34.88 ? 449 TYR A CE1 1 ATOM 3459 C CE2 . TYR A 1 449 ? 21.497 23.900 14.040 1.00 32.40 ? 449 TYR A CE2 1 ATOM 3460 C CZ . TYR A 1 449 ? 21.405 24.795 15.093 1.00 37.92 ? 449 TYR A CZ 1 ATOM 3461 O OH . TYR A 1 449 ? 22.389 25.735 15.275 1.00 37.99 ? 449 TYR A OH 1 ATOM 3462 N N . GLU A 1 450 ? 17.769 18.448 16.025 1.00 34.91 ? 450 GLU A N 1 ATOM 3463 C CA . GLU A 1 450 ? 16.828 17.516 16.645 1.00 34.70 ? 450 GLU A CA 1 ATOM 3464 C C . GLU A 1 450 ? 17.260 17.256 18.092 1.00 37.04 ? 450 GLU A C 1 ATOM 3465 O O . GLU A 1 450 ? 16.428 16.899 18.914 1.00 36.63 ? 450 GLU A O 1 ATOM 3466 C CB . GLU A 1 450 ? 16.769 16.182 15.864 1.00 35.86 ? 450 GLU A CB 1 ATOM 3467 C CG . GLU A 1 450 ? 17.858 15.152 16.169 1.00 37.45 ? 450 GLU A CG 1 ATOM 3468 C CD . GLU A 1 450 ? 19.221 15.369 15.539 1.00 41.65 ? 450 GLU A CD 1 ATOM 3469 O OE1 . GLU A 1 450 ? 19.568 16.524 15.219 1.00 40.58 ? 450 GLU A OE1 1 ATOM 3470 O OE2 . GLU A 1 450 ? 19.952 14.374 15.367 1.00 39.31 ? 450 GLU A OE2 1 ATOM 3471 N N . ILE A 1 451 ? 18.575 17.403 18.391 1.00 34.09 ? 451 ILE A N 1 ATOM 3472 C CA . ILE A 1 451 ? 19.176 17.044 19.687 1.00 32.26 ? 451 ILE A CA 1 ATOM 3473 C C . ILE A 1 451 ? 18.462 17.687 20.867 1.00 36.73 ? 451 ILE A C 1 ATOM 3474 O O . ILE A 1 451 ? 18.112 16.976 21.811 1.00 37.08 ? 451 ILE A O 1 ATOM 3475 C CB . ILE A 1 451 ? 20.708 17.304 19.726 1.00 33.50 ? 451 ILE A CB 1 ATOM 3476 C CG1 . ILE A 1 451 ? 21.439 16.567 18.568 1.00 32.08 ? 451 ILE A CG1 1 ATOM 3477 C CG2 . ILE A 1 451 ? 21.285 16.887 21.094 1.00 33.40 ? 451 ILE A CG2 1 ATOM 3478 C CD1 . ILE A 1 451 ? 22.967 17.019 18.382 1.00 32.34 ? 451 ILE A CD1 1 ATOM 3479 N N . GLU A 1 452 ? 18.232 19.010 20.813 1.00 33.54 ? 452 GLU A N 1 ATOM 3480 C CA . GLU A 1 452 ? 17.563 19.761 21.887 1.00 33.88 ? 452 GLU A CA 1 ATOM 3481 C C . GLU A 1 452 ? 16.167 19.201 22.229 1.00 38.90 ? 452 GLU A C 1 ATOM 3482 O O . GLU A 1 452 ? 15.749 19.301 23.370 1.00 38.98 ? 452 GLU A O 1 ATOM 3483 C CB . GLU A 1 452 ? 17.494 21.261 21.539 1.00 34.99 ? 452 GLU A CB 1 ATOM 3484 C CG . GLU A 1 452 ? 16.697 21.576 20.267 1.00 42.32 ? 452 GLU A CG 1 ATOM 3485 C CD . GLU A 1 452 ? 17.091 22.877 19.595 1.00 54.21 ? 452 GLU A CD 1 ATOM 3486 O OE1 . GLU A 1 452 ? 16.311 23.847 19.675 1.00 57.94 ? 452 GLU A OE1 1 ATOM 3487 O OE2 . GLU A 1 452 ? 18.207 22.947 19.037 1.00 53.51 ? 452 GLU A OE2 1 ATOM 3488 N N . PHE A 1 453 ? 15.469 18.590 21.240 1.00 36.42 ? 453 PHE A N 1 ATOM 3489 C CA . PHE A 1 453 ? 14.147 17.977 21.420 1.00 36.48 ? 453 PHE A CA 1 ATOM 3490 C C . PHE A 1 453 ? 14.251 16.607 22.109 1.00 40.21 ? 453 PHE A C 1 ATOM 3491 O O . PHE A 1 453 ? 13.475 16.330 23.023 1.00 41.60 ? 453 PHE A O 1 ATOM 3492 C CB . PHE A 1 453 ? 13.410 17.878 20.071 1.00 38.19 ? 453 PHE A CB 1 ATOM 3493 C CG . PHE A 1 453 ? 13.009 19.229 19.529 1.00 39.36 ? 453 PHE A CG 1 ATOM 3494 C CD1 . PHE A 1 453 ? 11.853 19.864 19.982 1.00 41.50 ? 453 PHE A CD1 1 ATOM 3495 C CD2 . PHE A 1 453 ? 13.812 19.894 18.605 1.00 39.87 ? 453 PHE A CD2 1 ATOM 3496 C CE1 . PHE A 1 453 ? 11.525 21.146 19.539 1.00 42.62 ? 453 PHE A CE1 1 ATOM 3497 C CE2 . PHE A 1 453 ? 13.466 21.169 18.147 1.00 42.75 ? 453 PHE A CE2 1 ATOM 3498 C CZ . PHE A 1 453 ? 12.331 21.789 18.629 1.00 41.33 ? 453 PHE A CZ 1 ATOM 3499 N N . ILE A 1 454 ? 15.225 15.765 21.691 1.00 35.00 ? 454 ILE A N 1 ATOM 3500 C CA . ILE A 1 454 ? 15.463 14.434 22.282 1.00 34.81 ? 454 ILE A CA 1 ATOM 3501 C C . ILE A 1 454 ? 15.927 14.572 23.771 1.00 38.82 ? 454 ILE A C 1 ATOM 3502 O O . ILE A 1 454 ? 15.526 13.773 24.625 1.00 39.24 ? 454 ILE A O 1 ATOM 3503 C CB . ILE A 1 454 ? 16.476 13.635 21.415 1.00 36.40 ? 454 ILE A CB 1 ATOM 3504 C CG1 . ILE A 1 454 ? 15.865 13.290 20.045 1.00 36.40 ? 454 ILE A CG1 1 ATOM 3505 C CG2 . ILE A 1 454 ? 17.000 12.350 22.147 1.00 34.62 ? 454 ILE A CG2 1 ATOM 3506 C CD1 . ILE A 1 454 ? 16.889 13.181 19.022 1.00 40.48 ? 454 ILE A CD1 1 ATOM 3507 N N . PHE A 1 455 ? 16.766 15.589 24.064 1.00 33.69 ? 455 PHE A N 1 ATOM 3508 C CA . PHE A 1 455 ? 17.236 15.867 25.428 1.00 33.03 ? 455 PHE A CA 1 ATOM 3509 C C . PHE A 1 455 ? 16.168 16.565 26.264 1.00 37.30 ? 455 PHE A C 1 ATOM 3510 O O . PHE A 1 455 ? 16.299 16.611 27.471 1.00 36.89 ? 455 PHE A O 1 ATOM 3511 C CB . PHE A 1 455 ? 18.565 16.648 25.420 1.00 32.96 ? 455 PHE A CB 1 ATOM 3512 C CG . PHE A 1 455 ? 19.766 15.741 25.295 1.00 32.54 ? 455 PHE A CG 1 ATOM 3513 C CD1 . PHE A 1 455 ? 20.212 15.315 24.044 1.00 34.18 ? 455 PHE A CD1 1 ATOM 3514 C CD2 . PHE A 1 455 ? 20.459 15.312 26.428 1.00 32.15 ? 455 PHE A CD2 1 ATOM 3515 C CE1 . PHE A 1 455 ? 21.342 14.498 23.928 1.00 33.27 ? 455 PHE A CE1 1 ATOM 3516 C CE2 . PHE A 1 455 ? 21.592 14.507 26.308 1.00 32.96 ? 455 PHE A CE2 1 ATOM 3517 C CZ . PHE A 1 455 ? 22.015 14.089 25.057 1.00 30.84 ? 455 PHE A CZ 1 ATOM 3518 N N . GLY A 1 456 ? 15.118 17.079 25.617 1.00 35.31 ? 456 GLY A N 1 ATOM 3519 C CA . GLY A 1 456 ? 13.972 17.679 26.297 1.00 35.45 ? 456 GLY A CA 1 ATOM 3520 C C . GLY A 1 456 ? 14.113 19.106 26.764 1.00 39.58 ? 456 GLY A C 1 ATOM 3521 O O . GLY A 1 456 ? 13.414 19.514 27.686 1.00 38.91 ? 456 GLY A O 1 ATOM 3522 N N . LEU A 1 457 ? 14.975 19.897 26.111 1.00 37.55 ? 457 LEU A N 1 ATOM 3523 C CA . LEU A 1 457 ? 15.130 21.330 26.435 1.00 37.98 ? 457 LEU A CA 1 ATOM 3524 C C . LEU A 1 457 ? 13.796 22.107 26.331 1.00 42.41 ? 457 LEU A C 1 ATOM 3525 O O . LEU A 1 457 ? 13.548 22.901 27.228 1.00 42.61 ? 457 LEU A O 1 ATOM 3526 C CB . LEU A 1 457 ? 16.243 21.990 25.601 1.00 36.96 ? 457 LEU A CB 1 ATOM 3527 C CG . LEU A 1 457 ? 17.662 21.924 26.212 1.00 39.46 ? 457 LEU A CG 1 ATOM 3528 C CD1 . LEU A 1 457 ? 18.227 20.481 26.222 1.00 36.84 ? 457 LEU A CD1 1 ATOM 3529 C CD2 . LEU A 1 457 ? 18.596 22.852 25.458 1.00 40.37 ? 457 LEU A CD2 1 ATOM 3530 N N . PRO A 1 458 ? 12.856 21.819 25.379 1.00 40.82 ? 458 PRO A N 1 ATOM 3531 C CA . PRO A 1 458 ? 11.567 22.546 25.378 1.00 41.41 ? 458 PRO A CA 1 ATOM 3532 C C . PRO A 1 458 ? 10.743 22.456 26.668 1.00 48.71 ? 458 PRO A C 1 ATOM 3533 O O . PRO A 1 458 ? 9.843 23.269 26.849 1.00 50.78 ? 458 PRO A O 1 ATOM 3534 C CB . PRO A 1 458 ? 10.824 21.948 24.173 1.00 42.14 ? 458 PRO A CB 1 ATOM 3535 C CG . PRO A 1 458 ? 11.907 21.496 23.275 1.00 45.29 ? 458 PRO A CG 1 ATOM 3536 C CD . PRO A 1 458 ? 12.939 20.932 24.194 1.00 40.85 ? 458 PRO A CD 1 ATOM 3537 N N . LEU A 1 459 ? 11.072 21.512 27.582 1.00 46.14 ? 459 LEU A N 1 ATOM 3538 C CA . LEU A 1 459 ? 10.402 21.347 28.881 1.00 47.87 ? 459 LEU A CA 1 ATOM 3539 C C . LEU A 1 459 ? 10.742 22.485 29.858 1.00 52.72 ? 459 LEU A C 1 ATOM 3540 O O . LEU A 1 459 ? 10.028 22.686 30.839 1.00 53.45 ? 459 LEU A O 1 ATOM 3541 C CB . LEU A 1 459 ? 10.723 19.969 29.519 1.00 47.48 ? 459 LEU A CB 1 ATOM 3542 C CG . LEU A 1 459 ? 9.795 18.809 29.132 1.00 52.90 ? 459 LEU A CG 1 ATOM 3543 C CD1 . LEU A 1 459 ? 9.770 18.559 27.607 1.00 52.81 ? 459 LEU A CD1 1 ATOM 3544 C CD2 . LEU A 1 459 ? 10.253 17.545 29.765 1.00 54.16 ? 459 LEU A CD2 1 ATOM 3545 N N . ASP A 1 460 ? 11.835 23.213 29.593 1.00 48.96 ? 460 ASP A N 1 ATOM 3546 C CA . ASP A 1 460 ? 12.250 24.353 30.400 1.00 49.22 ? 460 ASP A CA 1 ATOM 3547 C C . ASP A 1 460 ? 11.417 25.559 29.895 1.00 55.30 ? 460 ASP A C 1 ATOM 3548 O O . ASP A 1 460 ? 11.617 25.984 28.753 1.00 52.66 ? 460 ASP A O 1 ATOM 3549 C CB . ASP A 1 460 ? 13.774 24.592 30.246 1.00 49.51 ? 460 ASP A CB 1 ATOM 3550 C CG . ASP A 1 460 ? 14.352 25.691 31.125 1.00 55.94 ? 460 ASP A CG 1 ATOM 3551 O OD1 . ASP A 1 460 ? 13.573 26.538 31.612 1.00 56.29 ? 460 ASP A OD1 1 ATOM 3552 O OD2 . ASP A 1 460 ? 15.592 25.735 31.282 1.00 65.58 ? 460 ASP A OD2 1 ATOM 3553 N N . PRO A 1 461 ? 10.484 26.119 30.710 1.00 57.11 ? 461 PRO A N 1 ATOM 3554 C CA . PRO A 1 461 ? 9.649 27.242 30.220 1.00 58.94 ? 461 PRO A CA 1 ATOM 3555 C C . PRO A 1 461 ? 10.399 28.520 29.827 1.00 65.59 ? 461 PRO A C 1 ATOM 3556 O O . PRO A 1 461 ? 9.883 29.290 29.018 1.00 67.21 ? 461 PRO A O 1 ATOM 3557 C CB . PRO A 1 461 ? 8.671 27.493 31.370 1.00 61.58 ? 461 PRO A CB 1 ATOM 3558 C CG . PRO A 1 461 ? 8.740 26.292 32.229 1.00 65.49 ? 461 PRO A CG 1 ATOM 3559 C CD . PRO A 1 461 ? 10.125 25.761 32.097 1.00 59.65 ? 461 PRO A CD 1 ATOM 3560 N N . SER A 1 462 ? 11.618 28.725 30.357 1.00 62.20 ? 462 SER A N 1 ATOM 3561 C CA . SER A 1 462 ? 12.437 29.903 30.079 1.00 62.16 ? 462 SER A CA 1 ATOM 3562 C C . SER A 1 462 ? 13.115 29.904 28.692 1.00 65.54 ? 462 SER A C 1 ATOM 3563 O O . SER A 1 462 ? 13.643 30.941 28.285 1.00 65.40 ? 462 SER A O 1 ATOM 3564 C CB . SER A 1 462 ? 13.464 30.106 31.194 1.00 65.99 ? 462 SER A CB 1 ATOM 3565 O OG . SER A 1 462 ? 14.468 29.105 31.202 1.00 73.03 ? 462 SER A OG 1 ATOM 3566 N N . LEU A 1 463 ? 13.089 28.768 27.959 1.00 62.28 ? 463 LEU A N 1 ATOM 3567 C CA . LEU A 1 463 ? 13.733 28.650 26.643 1.00 61.32 ? 463 LEU A CA 1 ATOM 3568 C C . LEU A 1 463 ? 12.838 29.097 25.444 1.00 65.81 ? 463 LEU A C 1 ATOM 3569 O O . LEU A 1 463 ? 13.313 29.188 24.304 1.00 66.31 ? 463 LEU A O 1 ATOM 3570 C CB . LEU A 1 463 ? 14.307 27.236 26.437 1.00 60.45 ? 463 LEU A CB 1 ATOM 3571 C CG . LEU A 1 463 ? 15.394 26.804 27.456 1.00 65.20 ? 463 LEU A CG 1 ATOM 3572 C CD1 . LEU A 1 463 ? 15.898 25.412 27.163 1.00 63.65 ? 463 LEU A CD1 1 ATOM 3573 C CD2 . LEU A 1 463 ? 16.578 27.785 27.475 1.00 68.24 ? 463 LEU A CD2 1 ATOM 3574 N N . ASN A 1 464 ? 11.579 29.429 25.721 1.00 61.89 ? 464 ASN A N 1 ATOM 3575 C CA . ASN A 1 464 ? 10.616 30.016 24.778 1.00 63.15 ? 464 ASN A CA 1 ATOM 3576 C C . ASN A 1 464 ? 10.188 29.121 23.586 1.00 63.41 ? 464 ASN A C 1 ATOM 3577 O O . ASN A 1 464 ? 9.731 29.664 22.572 1.00 64.96 ? 464 ASN A O 1 ATOM 3578 C CB . ASN A 1 464 ? 11.086 31.414 24.254 1.00 69.10 ? 464 ASN A CB 1 ATOM 3579 C CG . ASN A 1 464 ? 11.343 32.473 25.315 1.00 101.69 ? 464 ASN A CG 1 ATOM 3580 O OD1 . ASN A 1 464 ? 10.857 32.392 26.459 1.00 87.70 ? 464 ASN A OD1 1 ATOM 3581 N ND2 . ASN A 1 464 ? 12.121 33.487 24.895 1.00 109.82 ? 464 ASN A ND2 1 ATOM 3582 N N . TYR A 1 465 ? 10.196 27.784 23.748 1.00 53.22 ? 465 TYR A N 1 ATOM 3583 C CA . TYR A 1 465 ? 9.651 26.888 22.723 1.00 50.71 ? 465 TYR A CA 1 ATOM 3584 C C . TYR A 1 465 ? 8.107 26.959 22.813 1.00 54.75 ? 465 TYR A C 1 ATOM 3585 O O . TYR A 1 465 ? 7.576 27.343 23.852 1.00 54.74 ? 465 TYR A O 1 ATOM 3586 C CB . TYR A 1 465 ? 10.093 25.445 22.970 1.00 49.14 ? 465 TYR A CB 1 ATOM 3587 C CG . TYR A 1 465 ? 11.563 25.185 22.735 1.00 47.50 ? 465 TYR A CG 1 ATOM 3588 C CD1 . TYR A 1 465 ? 12.492 25.328 23.765 1.00 47.82 ? 465 TYR A CD1 1 ATOM 3589 C CD2 . TYR A 1 465 ? 12.024 24.737 21.500 1.00 47.21 ? 465 TYR A CD2 1 ATOM 3590 C CE1 . TYR A 1 465 ? 13.837 25.011 23.576 1.00 45.31 ? 465 TYR A CE1 1 ATOM 3591 C CE2 . TYR A 1 465 ? 13.379 24.463 21.286 1.00 47.19 ? 465 TYR A CE2 1 ATOM 3592 C CZ . TYR A 1 465 ? 14.279 24.595 22.331 1.00 53.44 ? 465 TYR A CZ 1 ATOM 3593 O OH . TYR A 1 465 ? 15.607 24.299 22.145 1.00 58.33 ? 465 TYR A OH 1 ATOM 3594 N N . THR A 1 466 ? 7.388 26.595 21.741 1.00 49.81 ? 466 THR A N 1 ATOM 3595 C CA . THR A 1 466 ? 5.919 26.583 21.766 1.00 49.58 ? 466 THR A CA 1 ATOM 3596 C C . THR A 1 466 ? 5.419 25.381 22.600 1.00 53.52 ? 466 THR A C 1 ATOM 3597 O O . THR A 1 466 ? 6.194 24.459 22.886 1.00 49.97 ? 466 THR A O 1 ATOM 3598 C CB . THR A 1 466 ? 5.333 26.524 20.334 1.00 52.02 ? 466 THR A CB 1 ATOM 3599 O OG1 . THR A 1 466 ? 5.562 25.230 19.786 1.00 55.17 ? 466 THR A OG1 1 ATOM 3600 C CG2 . THR A 1 466 ? 5.889 27.588 19.417 1.00 46.34 ? 466 THR A CG2 1 ATOM 3601 N N . THR A 1 467 ? 4.115 25.375 22.944 1.00 52.62 ? 467 THR A N 1 ATOM 3602 C CA . THR A 1 467 ? 3.437 24.301 23.682 1.00 53.14 ? 467 THR A CA 1 ATOM 3603 C C . THR A 1 467 ? 3.511 22.995 22.873 1.00 54.73 ? 467 THR A C 1 ATOM 3604 O O . THR A 1 467 ? 3.726 21.925 23.455 1.00 55.20 ? 467 THR A O 1 ATOM 3605 C CB . THR A 1 467 ? 1.999 24.741 23.999 1.00 67.22 ? 467 THR A CB 1 ATOM 3606 O OG1 . THR A 1 467 ? 2.072 25.890 24.844 1.00 71.98 ? 467 THR A OG1 1 ATOM 3607 C CG2 . THR A 1 467 ? 1.184 23.658 24.695 1.00 65.91 ? 467 THR A CG2 1 ATOM 3608 N N . GLU A 1 468 ? 3.351 23.114 21.533 1.00 49.27 ? 468 GLU A N 1 ATOM 3609 C CA A GLU A 1 468 ? 3.409 21.981 20.617 0.50 48.34 ? 468 GLU A CA 1 ATOM 3610 C CA B GLU A 1 468 ? 3.438 22.028 20.535 0.50 48.40 ? 468 GLU A CA 1 ATOM 3611 C C . GLU A 1 468 ? 4.804 21.344 20.662 1.00 49.34 ? 468 GLU A C 1 ATOM 3612 O O . GLU A 1 468 ? 4.904 20.117 20.722 1.00 48.57 ? 468 GLU A O 1 ATOM 3613 C CB A GLU A 1 468 ? 2.988 22.405 19.195 0.50 49.84 ? 468 GLU A CB 1 ATOM 3614 C CB B GLU A 1 468 ? 3.350 22.587 19.090 0.50 49.62 ? 468 GLU A CB 1 ATOM 3615 C CG A GLU A 1 468 ? 1.508 22.768 19.067 0.50 61.79 ? 468 GLU A CG 1 ATOM 3616 C CG B GLU A 1 468 ? 2.026 23.173 18.633 0.50 62.84 ? 468 GLU A CG 1 ATOM 3617 C CD A GLU A 1 468 ? 1.006 23.984 19.834 0.50 80.13 ? 468 GLU A CD 1 ATOM 3618 C CD B GLU A 1 468 ? 2.082 23.680 17.200 0.50 75.84 ? 468 GLU A CD 1 ATOM 3619 O OE1 A GLU A 1 468 ? -0.065 23.874 20.473 0.50 78.48 ? 468 GLU A OE1 1 ATOM 3620 O OE1 B GLU A 1 468 ? 2.754 24.709 16.953 0.50 55.15 ? 468 GLU A OE1 1 ATOM 3621 O OE2 A GLU A 1 468 ? 1.704 25.026 19.842 0.50 68.08 ? 468 GLU A OE2 1 ATOM 3622 O OE2 B GLU A 1 468 ? 1.481 23.026 16.315 0.50 68.51 ? 468 GLU A OE2 1 ATOM 3623 N N . GLU A 1 469 ? 5.863 22.172 20.701 1.00 43.48 ? 469 GLU A N 1 ATOM 3624 C CA . GLU A 1 469 ? 7.261 21.747 20.801 1.00 42.09 ? 469 GLU A CA 1 ATOM 3625 C C . GLU A 1 469 ? 7.558 21.021 22.112 1.00 46.00 ? 469 GLU A C 1 ATOM 3626 O O . GLU A 1 469 ? 8.314 20.048 22.111 1.00 45.18 ? 469 GLU A O 1 ATOM 3627 C CB . GLU A 1 469 ? 8.192 22.944 20.595 1.00 42.67 ? 469 GLU A CB 1 ATOM 3628 C CG . GLU A 1 469 ? 8.264 23.369 19.130 1.00 47.15 ? 469 GLU A CG 1 ATOM 3629 C CD . GLU A 1 469 ? 9.176 24.545 18.872 1.00 46.50 ? 469 GLU A CD 1 ATOM 3630 O OE1 . GLU A 1 469 ? 9.150 25.510 19.666 1.00 45.23 ? 469 GLU A OE1 1 ATOM 3631 O OE2 . GLU A 1 469 ? 9.943 24.493 17.889 1.00 47.63 ? 469 GLU A OE2 1 ATOM 3632 N N . ARG A 1 470 ? 6.926 21.469 23.225 1.00 44.52 ? 470 ARG A N 1 ATOM 3633 C CA . ARG A 1 470 ? 7.050 20.853 24.551 1.00 44.55 ? 470 ARG A CA 1 ATOM 3634 C C . ARG A 1 470 ? 6.435 19.453 24.540 1.00 47.45 ? 470 ARG A C 1 ATOM 3635 O O . ARG A 1 470 ? 7.063 18.523 25.022 1.00 47.77 ? 470 ARG A O 1 ATOM 3636 C CB . ARG A 1 470 ? 6.441 21.733 25.662 1.00 48.13 ? 470 ARG A CB 1 ATOM 3637 C CG . ARG A 1 470 ? 6.944 23.182 25.643 1.00 63.74 ? 470 ARG A CG 1 ATOM 3638 C CD . ARG A 1 470 ? 6.537 24.008 26.864 1.00 77.79 ? 470 ARG A CD 1 ATOM 3639 N NE . ARG A 1 470 ? 7.403 25.183 27.026 1.00 79.62 ? 470 ARG A NE 1 ATOM 3640 C CZ . ARG A 1 470 ? 7.066 26.427 26.696 1.00 90.97 ? 470 ARG A CZ 1 ATOM 3641 N NH1 . ARG A 1 470 ? 5.863 26.687 26.196 1.00 89.15 ? 470 ARG A NH1 1 ATOM 3642 N NH2 . ARG A 1 470 ? 7.931 27.419 26.859 1.00 68.08 ? 470 ARG A NH2 1 ATOM 3643 N N . ILE A 1 471 ? 5.250 19.295 23.932 1.00 44.51 ? 471 ILE A N 1 ATOM 3644 C CA . ILE A 1 471 ? 4.546 18.011 23.768 1.00 44.82 ? 471 ILE A CA 1 ATOM 3645 C C . ILE A 1 471 ? 5.352 17.097 22.831 1.00 45.41 ? 471 ILE A C 1 ATOM 3646 O O . ILE A 1 471 ? 5.496 15.914 23.112 1.00 45.57 ? 471 ILE A O 1 ATOM 3647 C CB . ILE A 1 471 ? 3.067 18.235 23.290 1.00 49.44 ? 471 ILE A CB 1 ATOM 3648 C CG1 . ILE A 1 471 ? 2.219 18.873 24.419 1.00 51.22 ? 471 ILE A CG1 1 ATOM 3649 C CG2 . ILE A 1 471 ? 2.398 16.929 22.776 1.00 49.73 ? 471 ILE A CG2 1 ATOM 3650 C CD1 . ILE A 1 471 ? 0.972 19.678 23.924 1.00 60.23 ? 471 ILE A CD1 1 ATOM 3651 N N . PHE A 1 472 ? 5.899 17.659 21.743 1.00 40.50 ? 472 PHE A N 1 ATOM 3652 C CA . PHE A 1 472 ? 6.730 16.938 20.781 1.00 38.40 ? 472 PHE A CA 1 ATOM 3653 C C . PHE A 1 472 ? 8.020 16.409 21.446 1.00 42.17 ? 472 PHE A C 1 ATOM 3654 O O . PHE A 1 472 ? 8.340 15.233 21.265 1.00 42.77 ? 472 PHE A O 1 ATOM 3655 C CB . PHE A 1 472 ? 7.024 17.821 19.565 1.00 38.58 ? 472 PHE A CB 1 ATOM 3656 C CG . PHE A 1 472 ? 7.938 17.250 18.511 1.00 38.59 ? 472 PHE A CG 1 ATOM 3657 C CD1 . PHE A 1 472 ? 7.664 16.019 17.922 1.00 41.65 ? 472 PHE A CD1 1 ATOM 3658 C CD2 . PHE A 1 472 ? 9.040 17.972 18.059 1.00 37.86 ? 472 PHE A CD2 1 ATOM 3659 C CE1 . PHE A 1 472 ? 8.499 15.502 16.926 1.00 41.51 ? 472 PHE A CE1 1 ATOM 3660 C CE2 . PHE A 1 472 ? 9.869 17.460 17.060 1.00 40.49 ? 472 PHE A CE2 1 ATOM 3661 C CZ . PHE A 1 472 ? 9.592 16.229 16.496 1.00 39.62 ? 472 PHE A CZ 1 ATOM 3662 N N . ALA A 1 473 ? 8.711 17.239 22.268 1.00 38.17 ? 473 ALA A N 1 ATOM 3663 C CA . ALA A 1 473 ? 9.930 16.823 22.994 1.00 37.78 ? 473 ALA A CA 1 ATOM 3664 C C . ALA A 1 473 ? 9.639 15.609 23.909 1.00 44.43 ? 473 ALA A C 1 ATOM 3665 O O . ALA A 1 473 ? 10.399 14.634 23.903 1.00 44.26 ? 473 ALA A O 1 ATOM 3666 C CB . ALA A 1 473 ? 10.473 17.984 23.828 1.00 38.17 ? 473 ALA A CB 1 ATOM 3667 N N . GLN A 1 474 ? 8.517 15.663 24.665 1.00 42.09 ? 474 GLN A N 1 ATOM 3668 C CA . GLN A 1 474 ? 8.063 14.598 25.568 1.00 42.05 ? 474 GLN A CA 1 ATOM 3669 C C . GLN A 1 474 ? 7.845 13.289 24.803 1.00 44.71 ? 474 GLN A C 1 ATOM 3670 O O . GLN A 1 474 ? 8.247 12.234 25.284 1.00 43.97 ? 474 GLN A O 1 ATOM 3671 C CB . GLN A 1 474 ? 6.768 15.002 26.297 1.00 44.17 ? 474 GLN A CB 1 ATOM 3672 C CG . GLN A 1 474 ? 6.940 16.092 27.360 1.00 55.65 ? 474 GLN A CG 1 ATOM 3673 C CD . GLN A 1 474 ? 5.624 16.516 27.980 1.00 69.34 ? 474 GLN A CD 1 ATOM 3674 O OE1 . GLN A 1 474 ? 4.566 16.524 27.349 1.00 67.83 ? 474 GLN A OE1 1 ATOM 3675 N NE2 . GLN A 1 474 ? 5.662 16.904 29.233 1.00 68.65 ? 474 GLN A NE2 1 ATOM 3676 N N . ARG A 1 475 ? 7.226 13.362 23.614 1.00 42.18 ? 475 ARG A N 1 ATOM 3677 C CA . ARG A 1 475 ? 7.011 12.191 22.751 1.00 43.41 ? 475 ARG A CA 1 ATOM 3678 C C . ARG A 1 475 ? 8.361 11.561 22.323 1.00 44.86 ? 475 ARG A C 1 ATOM 3679 O O . ARG A 1 475 ? 8.505 10.338 22.379 1.00 43.97 ? 475 ARG A O 1 ATOM 3680 C CB . ARG A 1 475 ? 6.138 12.561 21.523 1.00 46.35 ? 475 ARG A CB 1 ATOM 3681 C CG . ARG A 1 475 ? 5.684 11.341 20.715 1.00 58.87 ? 475 ARG A CG 1 ATOM 3682 C CD . ARG A 1 475 ? 4.404 11.521 19.897 1.00 56.77 ? 475 ARG A CD 1 ATOM 3683 N NE . ARG A 1 475 ? 4.440 12.723 19.069 1.00 46.69 ? 475 ARG A NE 1 ATOM 3684 C CZ . ARG A 1 475 ? 4.876 12.774 17.816 1.00 53.52 ? 475 ARG A CZ 1 ATOM 3685 N NH1 . ARG A 1 475 ? 5.300 11.674 17.204 1.00 43.47 ? 475 ARG A NH1 1 ATOM 3686 N NH2 . ARG A 1 475 ? 4.881 13.923 17.162 1.00 43.61 ? 475 ARG A NH2 1 ATOM 3687 N N . LEU A 1 476 ? 9.343 12.396 21.936 1.00 40.67 ? 476 LEU A N 1 ATOM 3688 C CA . LEU A 1 476 ? 10.678 11.941 21.512 1.00 40.26 ? 476 LEU A CA 1 ATOM 3689 C C . LEU A 1 476 ? 11.479 11.318 22.630 1.00 43.82 ? 476 LEU A C 1 ATOM 3690 O O . LEU A 1 476 ? 12.134 10.301 22.408 1.00 44.52 ? 476 LEU A O 1 ATOM 3691 C CB . LEU A 1 476 ? 11.492 13.086 20.872 1.00 40.03 ? 476 LEU A CB 1 ATOM 3692 C CG . LEU A 1 476 ? 10.907 13.699 19.595 1.00 45.35 ? 476 LEU A CG 1 ATOM 3693 C CD1 . LEU A 1 476 ? 11.757 14.828 19.133 1.00 44.69 ? 476 LEU A CD1 1 ATOM 3694 C CD2 . LEU A 1 476 ? 10.780 12.671 18.496 1.00 48.03 ? 476 LEU A CD2 1 ATOM 3695 N N . MET A 1 477 ? 11.446 11.938 23.824 1.00 38.84 ? 477 MET A N 1 ATOM 3696 C CA . MET A 1 477 ? 12.106 11.455 25.034 1.00 37.96 ? 477 MET A CA 1 ATOM 3697 C C . MET A 1 477 ? 11.585 10.061 25.350 1.00 41.91 ? 477 MET A C 1 ATOM 3698 O O . MET A 1 477 ? 12.369 9.194 25.734 1.00 42.20 ? 477 MET A O 1 ATOM 3699 C CB . MET A 1 477 ? 11.817 12.391 26.218 1.00 40.37 ? 477 MET A CB 1 ATOM 3700 C CG . MET A 1 477 ? 12.475 13.762 26.095 1.00 43.80 ? 477 MET A CG 1 ATOM 3701 S SD . MET A 1 477 ? 11.930 14.899 27.407 1.00 49.30 ? 477 MET A SD 1 ATOM 3702 C CE . MET A 1 477 ? 12.927 14.384 28.701 1.00 43.82 ? 477 MET A CE 1 ATOM 3703 N N . LYS A 1 478 ? 10.267 9.841 25.156 1.00 38.03 ? 478 LYS A N 1 ATOM 3704 C CA . LYS A 1 478 ? 9.602 8.552 25.365 1.00 39.45 ? 478 LYS A CA 1 ATOM 3705 C C . LYS A 1 478 ? 10.062 7.514 24.346 1.00 42.88 ? 478 LYS A C 1 ATOM 3706 O O . LYS A 1 478 ? 10.340 6.389 24.752 1.00 42.55 ? 478 LYS A O 1 ATOM 3707 C CB . LYS A 1 478 ? 8.070 8.695 25.310 1.00 43.67 ? 478 LYS A CB 1 ATOM 3708 C CG . LYS A 1 478 ? 7.401 8.897 26.656 1.00 63.79 ? 478 LYS A CG 1 ATOM 3709 C CD . LYS A 1 478 ? 7.271 7.591 27.445 1.00 80.54 ? 478 LYS A CD 1 ATOM 3710 C CE . LYS A 1 478 ? 6.485 7.748 28.728 1.00 91.40 ? 478 LYS A CE 1 ATOM 3711 N NZ . LYS A 1 478 ? 7.193 8.577 29.740 1.00 93.94 ? 478 LYS A NZ 1 ATOM 3712 N N . TYR A 1 479 ? 10.156 7.876 23.035 1.00 38.88 ? 479 TYR A N 1 ATOM 3713 C CA . TYR A 1 479 ? 10.628 6.930 22.007 1.00 37.99 ? 479 TYR A CA 1 ATOM 3714 C C . TYR A 1 479 ? 12.037 6.451 22.344 1.00 39.39 ? 479 TYR A C 1 ATOM 3715 O O . TYR A 1 479 ? 12.288 5.244 22.348 1.00 38.22 ? 479 TYR A O 1 ATOM 3716 C CB . TYR A 1 479 ? 10.658 7.547 20.591 1.00 38.23 ? 479 TYR A CB 1 ATOM 3717 C CG . TYR A 1 479 ? 9.329 7.937 19.986 1.00 40.40 ? 479 TYR A CG 1 ATOM 3718 C CD1 . TYR A 1 479 ? 8.235 7.067 20.026 1.00 43.41 ? 479 TYR A CD1 1 ATOM 3719 C CD2 . TYR A 1 479 ? 9.196 9.118 19.264 1.00 40.70 ? 479 TYR A CD2 1 ATOM 3720 C CE1 . TYR A 1 479 ? 7.021 7.403 19.418 1.00 43.93 ? 479 TYR A CE1 1 ATOM 3721 C CE2 . TYR A 1 479 ? 7.994 9.463 18.649 1.00 42.95 ? 479 TYR A CE2 1 ATOM 3722 C CZ . TYR A 1 479 ? 6.906 8.606 18.735 1.00 50.24 ? 479 TYR A CZ 1 ATOM 3723 O OH . TYR A 1 479 ? 5.725 8.977 18.150 1.00 47.46 ? 479 TYR A OH 1 ATOM 3724 N N . TRP A 1 480 ? 12.942 7.402 22.633 1.00 35.46 ? 480 TRP A N 1 ATOM 3725 C CA . TRP A 1 480 ? 14.349 7.140 22.921 1.00 35.69 ? 480 TRP A CA 1 ATOM 3726 C C . TRP A 1 480 ? 14.546 6.298 24.196 1.00 40.76 ? 480 TRP A C 1 ATOM 3727 O O . TRP A 1 480 ? 15.322 5.337 24.179 1.00 40.29 ? 480 TRP A O 1 ATOM 3728 C CB . TRP A 1 480 ? 15.134 8.470 22.982 1.00 33.47 ? 480 TRP A CB 1 ATOM 3729 C CG . TRP A 1 480 ? 15.905 8.816 21.726 1.00 33.33 ? 480 TRP A CG 1 ATOM 3730 C CD1 . TRP A 1 480 ? 17.263 8.956 21.614 1.00 34.89 ? 480 TRP A CD1 1 ATOM 3731 C CD2 . TRP A 1 480 ? 15.362 9.108 20.422 1.00 33.27 ? 480 TRP A CD2 1 ATOM 3732 N NE1 . TRP A 1 480 ? 17.598 9.310 20.321 1.00 33.35 ? 480 TRP A NE1 1 ATOM 3733 C CE2 . TRP A 1 480 ? 16.453 9.401 19.569 1.00 34.94 ? 480 TRP A CE2 1 ATOM 3734 C CE3 . TRP A 1 480 ? 14.048 9.168 19.894 1.00 35.65 ? 480 TRP A CE3 1 ATOM 3735 C CZ2 . TRP A 1 480 ? 16.279 9.737 18.218 1.00 34.76 ? 480 TRP A CZ2 1 ATOM 3736 C CZ3 . TRP A 1 480 ? 13.873 9.480 18.551 1.00 36.39 ? 480 TRP A CZ3 1 ATOM 3737 C CH2 . TRP A 1 480 ? 14.974 9.767 17.724 1.00 36.44 ? 480 TRP A CH2 1 ATOM 3738 N N . THR A 1 481 ? 13.812 6.622 25.282 1.00 38.79 ? 481 THR A N 1 ATOM 3739 C CA . THR A 1 481 ? 13.935 5.887 26.548 1.00 38.96 ? 481 THR A CA 1 ATOM 3740 C C . THR A 1 481 ? 13.202 4.553 26.477 1.00 43.48 ? 481 THR A C 1 ATOM 3741 O O . THR A 1 481 ? 13.674 3.598 27.090 1.00 44.20 ? 481 THR A O 1 ATOM 3742 C CB . THR A 1 481 ? 13.554 6.743 27.773 1.00 42.33 ? 481 THR A CB 1 ATOM 3743 O OG1 . THR A 1 481 ? 12.220 7.216 27.620 1.00 44.21 ? 481 THR A OG1 1 ATOM 3744 C CG2 . THR A 1 481 ? 14.486 7.936 27.949 1.00 39.67 ? 481 THR A CG2 1 ATOM 3745 N N . ASN A 1 482 ? 12.089 4.450 25.708 1.00 39.38 ? 482 ASN A N 1 ATOM 3746 C CA . ASN A 1 482 ? 11.418 3.142 25.532 1.00 40.32 ? 482 ASN A CA 1 ATOM 3747 C C . ASN A 1 482 ? 12.359 2.244 24.740 1.00 43.24 ? 482 ASN A C 1 ATOM 3748 O O . ASN A 1 482 ? 12.483 1.071 25.069 1.00 43.87 ? 482 ASN A O 1 ATOM 3749 C CB . ASN A 1 482 ? 10.083 3.254 24.794 1.00 43.02 ? 482 ASN A CB 1 ATOM 3750 C CG . ASN A 1 482 ? 8.948 3.820 25.610 1.00 57.41 ? 482 ASN A CG 1 ATOM 3751 O OD1 . ASN A 1 482 ? 8.916 3.725 26.828 1.00 52.18 ? 482 ASN A OD1 1 ATOM 3752 N ND2 . ASN A 1 482 ? 8.005 4.452 24.944 1.00 55.08 ? 482 ASN A ND2 1 ATOM 3753 N N . PHE A 1 483 ? 13.066 2.813 23.732 1.00 39.62 ? 483 PHE A N 1 ATOM 3754 C CA . PHE A 1 483 ? 14.060 2.076 22.954 1.00 38.61 ? 483 PHE A CA 1 ATOM 3755 C C . PHE A 1 483 ? 15.204 1.609 23.885 1.00 43.60 ? 483 PHE A C 1 ATOM 3756 O O . PHE A 1 483 ? 15.582 0.444 23.832 1.00 43.47 ? 483 PHE A O 1 ATOM 3757 C CB . PHE A 1 483 ? 14.618 2.909 21.770 1.00 38.53 ? 483 PHE A CB 1 ATOM 3758 C CG . PHE A 1 483 ? 15.660 2.146 20.997 1.00 38.89 ? 483 PHE A CG 1 ATOM 3759 C CD1 . PHE A 1 483 ? 15.295 1.094 20.154 1.00 42.82 ? 483 PHE A CD1 1 ATOM 3760 C CD2 . PHE A 1 483 ? 17.019 2.411 21.179 1.00 39.02 ? 483 PHE A CD2 1 ATOM 3761 C CE1 . PHE A 1 483 ? 16.271 0.336 19.492 1.00 43.34 ? 483 PHE A CE1 1 ATOM 3762 C CE2 . PHE A 1 483 ? 17.990 1.656 20.522 1.00 41.37 ? 483 PHE A CE2 1 ATOM 3763 C CZ . PHE A 1 483 ? 17.611 0.627 19.679 1.00 40.48 ? 483 PHE A CZ 1 ATOM 3764 N N . ALA A 1 484 ? 15.752 2.510 24.721 1.00 41.38 ? 484 ALA A N 1 ATOM 3765 C CA . ALA A 1 484 ? 16.829 2.165 25.667 1.00 41.62 ? 484 ALA A CA 1 ATOM 3766 C C . ALA A 1 484 ? 16.407 1.027 26.616 1.00 46.92 ? 484 ALA A C 1 ATOM 3767 O O . ALA A 1 484 ? 17.185 0.100 26.846 1.00 47.84 ? 484 ALA A O 1 ATOM 3768 C CB . ALA A 1 484 ? 17.241 3.392 26.470 1.00 41.46 ? 484 ALA A CB 1 ATOM 3769 N N . ARG A 1 485 ? 15.165 1.081 27.119 1.00 44.51 ? 485 ARG A N 1 ATOM 3770 C CA . ARG A 1 485 ? 14.624 0.097 28.059 1.00 45.43 ? 485 ARG A CA 1 ATOM 3771 C C . ARG A 1 485 ? 14.312 -1.259 27.412 1.00 50.30 ? 485 ARG A C 1 ATOM 3772 O O . ARG A 1 485 ? 14.528 -2.294 28.033 1.00 50.48 ? 485 ARG A O 1 ATOM 3773 C CB . ARG A 1 485 ? 13.330 0.635 28.724 1.00 46.54 ? 485 ARG A CB 1 ATOM 3774 C CG . ARG A 1 485 ? 13.505 1.758 29.760 1.00 62.98 ? 485 ARG A CG 1 ATOM 3775 C CD . ARG A 1 485 ? 12.187 2.146 30.464 1.00 69.59 ? 485 ARG A CD 1 ATOM 3776 N NE . ARG A 1 485 ? 11.352 3.034 29.641 1.00 67.03 ? 485 ARG A NE 1 ATOM 3777 C CZ . ARG A 1 485 ? 11.272 4.357 29.787 1.00 73.43 ? 485 ARG A CZ 1 ATOM 3778 N NH1 . ARG A 1 485 ? 11.936 4.968 30.763 1.00 55.51 ? 485 ARG A NH1 1 ATOM 3779 N NH2 . ARG A 1 485 ? 10.519 5.080 28.960 1.00 53.80 ? 485 ARG A NH2 1 ATOM 3780 N N . THR A 1 486 ? 13.726 -1.259 26.200 1.00 47.51 ? 486 THR A N 1 ATOM 3781 C CA . THR A 1 486 ? 13.200 -2.485 25.597 1.00 47.20 ? 486 THR A CA 1 ATOM 3782 C C . THR A 1 486 ? 13.722 -2.879 24.214 1.00 51.24 ? 486 THR A C 1 ATOM 3783 O O . THR A 1 486 ? 13.397 -3.968 23.746 1.00 51.60 ? 486 THR A O 1 ATOM 3784 C CB . THR A 1 486 ? 11.655 -2.354 25.508 1.00 48.70 ? 486 THR A CB 1 ATOM 3785 O OG1 . THR A 1 486 ? 11.326 -1.348 24.539 1.00 50.01 ? 486 THR A OG1 1 ATOM 3786 C CG2 . THR A 1 486 ? 10.991 -2.021 26.860 1.00 41.03 ? 486 THR A CG2 1 ATOM 3787 N N . GLY A 1 487 ? 14.438 -1.982 23.542 1.00 47.04 ? 487 GLY A N 1 ATOM 3788 C CA . GLY A 1 487 ? 14.884 -2.193 22.169 1.00 46.55 ? 487 GLY A CA 1 ATOM 3789 C C . GLY A 1 487 ? 13.754 -1.938 21.187 1.00 49.99 ? 487 GLY A C 1 ATOM 3790 O O . GLY A 1 487 ? 13.850 -2.305 20.015 1.00 50.33 ? 487 GLY A O 1 ATOM 3791 N N . ASP A 1 488 ? 12.673 -1.282 21.668 1.00 45.50 ? 488 ASP A N 1 ATOM 3792 C CA . ASP A 1 488 ? 11.478 -0.954 20.900 1.00 45.07 ? 488 ASP A CA 1 ATOM 3793 C C . ASP A 1 488 ? 11.024 0.464 21.289 1.00 48.35 ? 488 ASP A C 1 ATOM 3794 O O . ASP A 1 488 ? 10.718 0.679 22.459 1.00 47.01 ? 488 ASP A O 1 ATOM 3795 C CB . ASP A 1 488 ? 10.369 -1.980 21.220 1.00 48.00 ? 488 ASP A CB 1 ATOM 3796 C CG . ASP A 1 488 ? 9.138 -1.944 20.324 1.00 57.88 ? 488 ASP A CG 1 ATOM 3797 O OD1 . ASP A 1 488 ? 8.852 -0.879 19.741 1.00 57.37 ? 488 ASP A OD1 1 ATOM 3798 O OD2 . ASP A 1 488 ? 8.443 -2.975 20.233 1.00 67.29 ? 488 ASP A OD2 1 ATOM 3799 N N . PRO A 1 489 ? 10.947 1.444 20.348 1.00 45.40 ? 489 PRO A N 1 ATOM 3800 C CA . PRO A 1 489 ? 10.527 2.805 20.747 1.00 44.21 ? 489 PRO A CA 1 ATOM 3801 C C . PRO A 1 489 ? 9.036 2.955 21.084 1.00 50.73 ? 489 PRO A C 1 ATOM 3802 O O . PRO A 1 489 ? 8.634 3.980 21.618 1.00 50.69 ? 489 PRO A O 1 ATOM 3803 C CB . PRO A 1 489 ? 10.939 3.658 19.541 1.00 44.74 ? 489 PRO A CB 1 ATOM 3804 C CG . PRO A 1 489 ? 10.841 2.723 18.375 1.00 49.17 ? 489 PRO A CG 1 ATOM 3805 C CD . PRO A 1 489 ? 11.283 1.390 18.904 1.00 45.73 ? 489 PRO A CD 1 ATOM 3806 N N . ASN A 1 490 ? 8.214 1.953 20.752 1.00 50.34 ? 490 ASN A N 1 ATOM 3807 C CA . ASN A 1 490 ? 6.767 1.971 20.963 1.00 52.39 ? 490 ASN A CA 1 ATOM 3808 C C . ASN A 1 490 ? 6.397 1.750 22.423 1.00 60.46 ? 490 ASN A C 1 ATOM 3809 O O . ASN A 1 490 ? 7.059 0.981 23.114 1.00 58.49 ? 490 ASN A O 1 ATOM 3810 C CB . ASN A 1 490 ? 6.079 0.906 20.094 1.00 50.69 ? 490 ASN A CB 1 ATOM 3811 C CG . ASN A 1 490 ? 6.202 1.145 18.618 1.00 60.43 ? 490 ASN A CG 1 ATOM 3812 O OD1 . ASN A 1 490 ? 5.630 2.099 18.076 1.00 52.35 ? 490 ASN A OD1 1 ATOM 3813 N ND2 . ASN A 1 490 ? 6.950 0.275 17.941 1.00 44.99 ? 490 ASN A ND2 1 ATOM 3814 N N . ASP A 1 491 ? 5.341 2.424 22.892 1.00 63.19 ? 491 ASP A N 1 ATOM 3815 C CA . ASP A 1 491 ? 4.872 2.250 24.266 1.00 66.54 ? 491 ASP A CA 1 ATOM 3816 C C . ASP A 1 491 ? 3.858 1.090 24.274 1.00 77.44 ? 491 ASP A C 1 ATOM 3817 O O . ASP A 1 491 ? 2.872 1.155 23.535 1.00 76.77 ? 491 ASP A O 1 ATOM 3818 C CB . ASP A 1 491 ? 4.281 3.547 24.832 1.00 68.86 ? 491 ASP A CB 1 ATOM 3819 C CG . ASP A 1 491 ? 3.929 3.431 26.301 1.00 83.74 ? 491 ASP A CG 1 ATOM 3820 O OD1 . ASP A 1 491 ? 4.827 3.646 27.147 1.00 93.38 ? 491 ASP A OD1 1 ATOM 3821 O OD2 . ASP A 1 491 ? 2.778 3.070 26.603 1.00 84.93 ? 491 ASP A OD2 1 ATOM 3822 N N . PRO A 1 492 ? 4.117 0.000 25.043 1.00 80.24 ? 492 PRO A N 1 ATOM 3823 C CA . PRO A 1 492 ? 3.206 -1.165 25.015 1.00 83.75 ? 492 PRO A CA 1 ATOM 3824 C C . PRO A 1 492 ? 1.804 -0.945 25.549 1.00 93.45 ? 492 PRO A C 1 ATOM 3825 O O . PRO A 1 492 ? 0.904 -1.669 25.138 1.00 94.82 ? 492 PRO A O 1 ATOM 3826 C CB . PRO A 1 492 ? 3.930 -2.223 25.855 1.00 85.47 ? 492 PRO A CB 1 ATOM 3827 C CG . PRO A 1 492 ? 5.331 -1.738 25.987 1.00 87.89 ? 492 PRO A CG 1 ATOM 3828 C CD . PRO A 1 492 ? 5.254 -0.245 25.949 1.00 81.78 ? 492 PRO A CD 1 ATOM 3829 N N . ARG A 1 493 ? 1.625 0.005 26.479 1.00 92.51 ? 493 ARG A N 1 ATOM 3830 C CA . ARG A 1 493 ? 0.321 0.300 27.078 1.00 94.97 ? 493 ARG A CA 1 ATOM 3831 C C . ARG A 1 493 ? -0.398 1.468 26.355 1.00 100.76 ? 493 ARG A C 1 ATOM 3832 O O . ARG A 1 493 ? -1.317 2.078 26.912 1.00 101.50 ? 493 ARG A O 1 ATOM 3833 C CB . ARG A 1 493 ? 0.446 0.508 28.608 1.00 95.86 ? 493 ARG A CB 1 ATOM 3834 C CG . ARG A 1 493 ? 1.316 1.687 29.034 1.00 106.48 ? 493 ARG A CG 1 ATOM 3835 C CD . ARG A 1 493 ? 1.603 1.688 30.519 1.00 122.32 ? 493 ARG A CD 1 ATOM 3836 N NE . ARG A 1 493 ? 2.499 2.786 30.887 1.00 133.13 ? 493 ARG A NE 1 ATOM 3837 C CZ . ARG A 1 493 ? 3.824 2.691 30.938 1.00 146.90 ? 493 ARG A CZ 1 ATOM 3838 N NH1 . ARG A 1 493 ? 4.428 1.544 30.649 1.00 133.38 ? 493 ARG A NH1 1 ATOM 3839 N NH2 . ARG A 1 493 ? 4.557 3.742 31.281 1.00 132.81 ? 493 ARG A NH2 1 ATOM 3840 N N . ASP A 1 494 ? 0.005 1.741 25.095 1.00 97.49 ? 494 ASP A N 1 ATOM 3841 C CA . ASP A 1 494 ? -0.552 2.798 24.252 1.00 97.70 ? 494 ASP A CA 1 ATOM 3842 C C . ASP A 1 494 ? -0.593 2.359 22.779 1.00 103.25 ? 494 ASP A C 1 ATOM 3843 O O . ASP A 1 494 ? 0.238 2.769 21.962 1.00 102.16 ? 494 ASP A O 1 ATOM 3844 C CB . ASP A 1 494 ? 0.218 4.119 24.460 1.00 97.77 ? 494 ASP A CB 1 ATOM 3845 C CG . ASP A 1 494 ? -0.298 5.312 23.674 1.00 108.18 ? 494 ASP A CG 1 ATOM 3846 O OD1 . ASP A 1 494 ? -1.529 5.383 23.432 1.00 109.86 ? 494 ASP A OD1 1 ATOM 3847 O OD2 . ASP A 1 494 ? 0.523 6.182 23.319 1.00 113.67 ? 494 ASP A OD2 1 ATOM 3848 N N . SER A 1 495 ? -1.566 1.501 22.457 1.00 102.29 ? 495 SER A N 1 ATOM 3849 C CA . SER A 1 495 ? -1.786 0.953 21.117 1.00 103.02 ? 495 SER A CA 1 ATOM 3850 C C . SER A 1 495 ? -2.629 1.900 20.243 1.00 106.22 ? 495 SER A C 1 ATOM 3851 O O . SER A 1 495 ? -2.693 1.714 19.021 1.00 106.48 ? 495 SER A O 1 ATOM 3852 C CB . SER A 1 495 ? -2.422 -0.431 21.206 1.00 109.84 ? 495 SER A CB 1 ATOM 3853 O OG . SER A 1 495 ? -1.564 -1.339 21.881 1.00 120.55 ? 495 SER A OG 1 ATOM 3854 N N . LYS A 1 496 ? -3.229 2.947 20.874 1.00 101.05 ? 496 LYS A N 1 ATOM 3855 C CA . LYS A 1 496 ? -4.037 3.999 20.235 1.00 99.90 ? 496 LYS A CA 1 ATOM 3856 C C . LYS A 1 496 ? -3.170 4.893 19.309 1.00 97.93 ? 496 LYS A C 1 ATOM 3857 O O . LYS A 1 496 ? -3.607 5.225 18.198 1.00 97.80 ? 496 LYS A O 1 ATOM 3858 C CB . LYS A 1 496 ? -4.738 4.857 21.299 1.00 102.84 ? 496 LYS A CB 1 ATOM 3859 N N . SER A 1 497 ? -1.942 5.275 19.780 1.00 88.74 ? 497 SER A N 1 ATOM 3860 C CA . SER A 1 497 ? -0.955 6.072 19.038 1.00 85.00 ? 497 SER A CA 1 ATOM 3861 C C . SER A 1 497 ? -0.393 5.226 17.872 1.00 84.18 ? 497 SER A C 1 ATOM 3862 O O . SER A 1 497 ? -0.232 4.011 18.057 1.00 84.47 ? 497 SER A O 1 ATOM 3863 C CB . SER A 1 497 ? 0.191 6.488 19.955 1.00 86.93 ? 497 SER A CB 1 ATOM 3864 O OG . SER A 1 497 ? -0.228 7.345 21.003 1.00 94.75 ? 497 SER A OG 1 ATOM 3865 N N . PRO A 1 498 ? -0.076 5.817 16.679 1.00 76.13 ? 498 PRO A N 1 ATOM 3866 C CA . PRO A 1 498 ? 0.457 5.002 15.562 1.00 73.62 ? 498 PRO A CA 1 ATOM 3867 C C . PRO A 1 498 ? 1.745 4.295 15.928 1.00 69.85 ? 498 PRO A C 1 ATOM 3868 O O . PRO A 1 498 ? 2.535 4.842 16.691 1.00 68.33 ? 498 PRO A O 1 ATOM 3869 C CB . PRO A 1 498 ? 0.673 6.019 14.439 1.00 75.04 ? 498 PRO A CB 1 ATOM 3870 C CG . PRO A 1 498 ? -0.198 7.161 14.794 1.00 80.66 ? 498 PRO A CG 1 ATOM 3871 C CD . PRO A 1 498 ? -0.163 7.235 16.288 1.00 76.49 ? 498 PRO A CD 1 ATOM 3872 N N . GLN A 1 499 ? 1.905 3.057 15.463 1.00 62.17 ? 499 GLN A N 1 ATOM 3873 C CA . GLN A 1 499 ? 3.066 2.266 15.795 1.00 58.69 ? 499 GLN A CA 1 ATOM 3874 C C . GLN A 1 499 ? 4.204 2.576 14.845 1.00 56.55 ? 499 GLN A C 1 ATOM 3875 O O . GLN A 1 499 ? 3.986 2.923 13.689 1.00 54.80 ? 499 GLN A O 1 ATOM 3876 C CB . GLN A 1 499 ? 2.712 0.769 15.821 1.00 61.10 ? 499 GLN A CB 1 ATOM 3877 C CG . GLN A 1 499 ? 1.611 0.427 16.843 1.00 66.20 ? 499 GLN A CG 1 ATOM 3878 C CD . GLN A 1 499 ? 1.996 0.760 18.274 1.00 76.52 ? 499 GLN A CD 1 ATOM 3879 O OE1 . GLN A 1 499 ? 2.868 0.123 18.865 1.00 67.41 ? 499 GLN A OE1 1 ATOM 3880 N NE2 . GLN A 1 499 ? 1.362 1.778 18.859 1.00 64.80 ? 499 GLN A NE2 1 ATOM 3881 N N . TRP A 1 500 ? 5.428 2.496 15.361 1.00 50.58 ? 500 TRP A N 1 ATOM 3882 C CA . TRP A 1 500 ? 6.666 2.700 14.628 1.00 48.23 ? 500 TRP A CA 1 ATOM 3883 C C . TRP A 1 500 ? 7.090 1.280 14.213 1.00 52.53 ? 500 TRP A C 1 ATOM 3884 O O . TRP A 1 500 ? 7.497 0.488 15.072 1.00 52.50 ? 500 TRP A O 1 ATOM 3885 C CB . TRP A 1 500 ? 7.708 3.346 15.558 1.00 44.88 ? 500 TRP A CB 1 ATOM 3886 C CG . TRP A 1 500 ? 8.993 3.789 14.920 1.00 44.20 ? 500 TRP A CG 1 ATOM 3887 C CD1 . TRP A 1 500 ? 9.592 3.281 13.795 1.00 46.74 ? 500 TRP A CD1 1 ATOM 3888 C CD2 . TRP A 1 500 ? 9.899 4.770 15.451 1.00 42.48 ? 500 TRP A CD2 1 ATOM 3889 N NE1 . TRP A 1 500 ? 10.793 3.927 13.567 1.00 43.85 ? 500 TRP A NE1 1 ATOM 3890 C CE2 . TRP A 1 500 ? 11.010 4.836 14.575 1.00 44.23 ? 500 TRP A CE2 1 ATOM 3891 C CE3 . TRP A 1 500 ? 9.847 5.649 16.552 1.00 43.12 ? 500 TRP A CE3 1 ATOM 3892 C CZ2 . TRP A 1 500 ? 12.055 5.749 14.762 1.00 42.19 ? 500 TRP A CZ2 1 ATOM 3893 C CZ3 . TRP A 1 500 ? 10.909 6.521 16.765 1.00 42.84 ? 500 TRP A CZ3 1 ATOM 3894 C CH2 . TRP A 1 500 ? 11.990 6.576 15.870 1.00 42.62 ? 500 TRP A CH2 1 ATOM 3895 N N . PRO A 1 501 ? 6.926 0.900 12.927 1.00 49.47 ? 501 PRO A N 1 ATOM 3896 C CA . PRO A 1 501 ? 7.317 -0.454 12.532 1.00 49.23 ? 501 PRO A CA 1 ATOM 3897 C C . PRO A 1 501 ? 8.829 -0.597 12.340 1.00 50.30 ? 501 PRO A C 1 ATOM 3898 O O . PRO A 1 501 ? 9.486 0.374 11.962 1.00 47.00 ? 501 PRO A O 1 ATOM 3899 C CB . PRO A 1 501 ? 6.571 -0.652 11.209 1.00 51.69 ? 501 PRO A CB 1 ATOM 3900 C CG . PRO A 1 501 ? 6.498 0.711 10.614 1.00 55.30 ? 501 PRO A CG 1 ATOM 3901 C CD . PRO A 1 501 ? 6.441 1.681 11.760 1.00 50.68 ? 501 PRO A CD 1 ATOM 3902 N N . PRO A 1 502 ? 9.415 -1.793 12.572 1.00 47.74 ? 502 PRO A N 1 ATOM 3903 C CA . PRO A 1 502 ? 10.854 -1.956 12.289 1.00 46.39 ? 502 PRO A CA 1 ATOM 3904 C C . PRO A 1 502 ? 11.154 -1.766 10.787 1.00 49.74 ? 502 PRO A C 1 ATOM 3905 O O . PRO A 1 502 ? 10.313 -2.045 9.931 1.00 47.78 ? 502 PRO A O 1 ATOM 3906 C CB . PRO A 1 502 ? 11.137 -3.408 12.701 1.00 49.26 ? 502 PRO A CB 1 ATOM 3907 C CG . PRO A 1 502 ? 9.985 -3.793 13.621 1.00 54.85 ? 502 PRO A CG 1 ATOM 3908 C CD . PRO A 1 502 ? 8.812 -3.057 13.044 1.00 50.72 ? 502 PRO A CD 1 ATOM 3909 N N . TYR A 1 503 ? 12.346 -1.250 10.480 1.00 45.29 ? 503 TYR A N 1 ATOM 3910 C CA . TYR A 1 503 ? 12.848 -1.090 9.127 1.00 44.26 ? 503 TYR A CA 1 ATOM 3911 C C . TYR A 1 503 ? 13.306 -2.476 8.659 1.00 50.82 ? 503 TYR A C 1 ATOM 3912 O O . TYR A 1 503 ? 14.047 -3.155 9.371 1.00 50.29 ? 503 TYR A O 1 ATOM 3913 C CB . TYR A 1 503 ? 14.043 -0.109 9.118 1.00 43.40 ? 503 TYR A CB 1 ATOM 3914 C CG . TYR A 1 503 ? 14.620 0.098 7.736 1.00 43.92 ? 503 TYR A CG 1 ATOM 3915 C CD1 . TYR A 1 503 ? 15.632 -0.730 7.248 1.00 45.79 ? 503 TYR A CD1 1 ATOM 3916 C CD2 . TYR A 1 503 ? 14.132 1.095 6.898 1.00 44.01 ? 503 TYR A CD2 1 ATOM 3917 C CE1 . TYR A 1 503 ? 16.138 -0.574 5.959 1.00 45.20 ? 503 TYR A CE1 1 ATOM 3918 C CE2 . TYR A 1 503 ? 14.643 1.272 5.615 1.00 44.96 ? 503 TYR A CE2 1 ATOM 3919 C CZ . TYR A 1 503 ? 15.641 0.429 5.147 1.00 52.53 ? 503 TYR A CZ 1 ATOM 3920 O OH . TYR A 1 503 ? 16.166 0.598 3.892 1.00 54.69 ? 503 TYR A OH 1 ATOM 3921 N N . THR A 1 504 ? 12.861 -2.891 7.467 1.00 49.85 ? 504 THR A N 1 ATOM 3922 C CA . THR A 1 504 ? 13.209 -4.183 6.875 1.00 51.76 ? 504 THR A CA 1 ATOM 3923 C C . THR A 1 504 ? 13.657 -3.961 5.432 1.00 56.85 ? 504 THR A C 1 ATOM 3924 O O . THR A 1 504 ? 13.261 -2.971 4.825 1.00 54.02 ? 504 THR A O 1 ATOM 3925 C CB . THR A 1 504 ? 11.976 -5.127 6.888 1.00 59.26 ? 504 THR A CB 1 ATOM 3926 O OG1 . THR A 1 504 ? 10.915 -4.519 6.146 1.00 59.62 ? 504 THR A OG1 1 ATOM 3927 C CG2 . THR A 1 504 ? 11.488 -5.474 8.305 1.00 52.15 ? 504 THR A CG2 1 ATOM 3928 N N . THR A 1 505 ? 14.437 -4.890 4.861 1.00 57.61 ? 505 THR A N 1 ATOM 3929 C CA . THR A 1 505 ? 14.847 -4.754 3.455 1.00 58.82 ? 505 THR A CA 1 ATOM 3930 C C . THR A 1 505 ? 13.640 -4.863 2.509 1.00 64.46 ? 505 THR A C 1 ATOM 3931 O O . THR A 1 505 ? 13.603 -4.167 1.499 1.00 64.57 ? 505 THR A O 1 ATOM 3932 C CB . THR A 1 505 ? 15.994 -5.699 3.079 1.00 68.41 ? 505 THR A CB 1 ATOM 3933 O OG1 . THR A 1 505 ? 15.585 -7.040 3.310 1.00 64.03 ? 505 THR A OG1 1 ATOM 3934 C CG2 . THR A 1 505 ? 17.300 -5.371 3.825 1.00 67.22 ? 505 THR A CG2 1 ATOM 3935 N N . ALA A 1 506 ? 12.630 -5.658 2.882 1.00 62.81 ? 506 ALA A N 1 ATOM 3936 C CA . ALA A 1 506 ? 11.417 -5.845 2.086 1.00 65.01 ? 506 ALA A CA 1 ATOM 3937 C C . ALA A 1 506 ? 10.497 -4.614 2.033 1.00 69.40 ? 506 ALA A C 1 ATOM 3938 O O . ALA A 1 506 ? 10.147 -4.179 0.934 1.00 72.08 ? 506 ALA A O 1 ATOM 3939 C CB . ALA A 1 506 ? 10.639 -7.059 2.577 1.00 67.27 ? 506 ALA A CB 1 ATOM 3940 N N . ALA A 1 507 ? 10.078 -4.080 3.200 1.00 61.50 ? 507 ALA A N 1 ATOM 3941 C CA . ALA A 1 507 ? 9.136 -2.963 3.261 1.00 58.88 ? 507 ALA A CA 1 ATOM 3942 C C . ALA A 1 507 ? 9.795 -1.594 3.349 1.00 58.29 ? 507 ALA A C 1 ATOM 3943 O O . ALA A 1 507 ? 9.159 -0.602 3.004 1.00 56.76 ? 507 ALA A O 1 ATOM 3944 C CB . ALA A 1 507 ? 8.155 -3.162 4.408 1.00 59.87 ? 507 ALA A CB 1 ATOM 3945 N N . GLN A 1 508 ? 11.047 -1.528 3.846 1.00 52.08 ? 508 GLN A N 1 ATOM 3946 C CA . GLN A 1 508 ? 11.829 -0.285 3.974 1.00 49.33 ? 508 GLN A CA 1 ATOM 3947 C C . GLN A 1 508 ? 11.071 0.845 4.723 1.00 49.31 ? 508 GLN A C 1 ATOM 3948 O O . GLN A 1 508 ? 11.151 2.020 4.352 1.00 46.15 ? 508 GLN A O 1 ATOM 3949 C CB . GLN A 1 508 ? 12.328 0.171 2.587 1.00 49.78 ? 508 GLN A CB 1 ATOM 3950 C CG . GLN A 1 508 ? 13.159 -0.869 1.848 1.00 55.88 ? 508 GLN A CG 1 ATOM 3951 C CD . GLN A 1 508 ? 13.484 -0.418 0.442 1.00 63.23 ? 508 GLN A CD 1 ATOM 3952 O OE1 . GLN A 1 508 ? 14.023 0.676 0.215 1.00 52.82 ? 508 GLN A OE1 1 ATOM 3953 N NE2 . GLN A 1 508 ? 13.135 -1.238 -0.535 1.00 52.23 ? 508 GLN A NE2 1 ATOM 3954 N N . GLN A 1 509 ? 10.333 0.472 5.774 1.00 46.61 ? 509 GLN A N 1 ATOM 3955 C CA . GLN A 1 509 ? 9.531 1.422 6.552 1.00 46.10 ? 509 GLN A CA 1 ATOM 3956 C C . GLN A 1 509 ? 10.324 2.253 7.541 1.00 48.23 ? 509 GLN A C 1 ATOM 3957 O O . GLN A 1 509 ? 11.161 1.735 8.277 1.00 47.47 ? 509 GLN A O 1 ATOM 3958 C CB . GLN A 1 509 ? 8.372 0.724 7.273 1.00 48.66 ? 509 GLN A CB 1 ATOM 3959 C CG . GLN A 1 509 ? 7.335 0.136 6.331 1.00 51.81 ? 509 GLN A CG 1 ATOM 3960 C CD . GLN A 1 509 ? 6.450 -0.827 7.062 1.00 62.45 ? 509 GLN A CD 1 ATOM 3961 O OE1 . GLN A 1 509 ? 6.873 -1.910 7.488 1.00 60.21 ? 509 GLN A OE1 1 ATOM 3962 N NE2 . GLN A 1 509 ? 5.198 -0.465 7.193 1.00 52.34 ? 509 GLN A NE2 1 ATOM 3963 N N . TYR A 1 510 ? 10.029 3.549 7.560 1.00 43.60 ? 510 TYR A N 1 ATOM 3964 C CA . TYR A 1 510 ? 10.592 4.533 8.476 1.00 41.54 ? 510 TYR A CA 1 ATOM 3965 C C . TYR A 1 510 ? 9.482 5.514 8.851 1.00 46.59 ? 510 TYR A C 1 ATOM 3966 O O . TYR A 1 510 ? 8.426 5.512 8.220 1.00 46.94 ? 510 TYR A O 1 ATOM 3967 C CB . TYR A 1 510 ? 11.834 5.234 7.892 1.00 40.43 ? 510 TYR A CB 1 ATOM 3968 C CG . TYR A 1 510 ? 11.551 6.131 6.710 1.00 42.45 ? 510 TYR A CG 1 ATOM 3969 C CD1 . TYR A 1 510 ? 11.359 5.601 5.432 1.00 44.30 ? 510 TYR A CD1 1 ATOM 3970 C CD2 . TYR A 1 510 ? 11.508 7.515 6.856 1.00 42.28 ? 510 TYR A CD2 1 ATOM 3971 C CE1 . TYR A 1 510 ? 11.088 6.423 4.343 1.00 42.58 ? 510 TYR A CE1 1 ATOM 3972 C CE2 . TYR A 1 510 ? 11.242 8.347 5.768 1.00 42.76 ? 510 TYR A CE2 1 ATOM 3973 C CZ . TYR A 1 510 ? 11.052 7.796 4.512 1.00 46.77 ? 510 TYR A CZ 1 ATOM 3974 O OH . TYR A 1 510 ? 10.800 8.610 3.436 1.00 46.31 ? 510 TYR A OH 1 ATOM 3975 N N . VAL A 1 511 ? 9.689 6.317 9.891 1.00 42.99 ? 511 VAL A N 1 ATOM 3976 C CA . VAL A 1 511 ? 8.648 7.249 10.319 1.00 42.11 ? 511 VAL A CA 1 ATOM 3977 C C . VAL A 1 511 ? 9.111 8.682 10.225 1.00 43.96 ? 511 VAL A C 1 ATOM 3978 O O . VAL A 1 511 ? 10.303 8.958 10.341 1.00 41.15 ? 511 VAL A O 1 ATOM 3979 C CB . VAL A 1 511 ? 8.106 6.951 11.744 1.00 44.72 ? 511 VAL A CB 1 ATOM 3980 C CG1 . VAL A 1 511 ? 7.434 5.584 11.831 1.00 45.30 ? 511 VAL A CG1 1 ATOM 3981 C CG2 . VAL A 1 511 ? 9.195 7.121 12.800 1.00 43.14 ? 511 VAL A CG2 1 ATOM 3982 N N . SER A 1 512 ? 8.155 9.600 10.107 1.00 42.41 ? 512 SER A N 1 ATOM 3983 C CA . SER A 1 512 ? 8.435 11.032 10.143 1.00 41.36 ? 512 SER A CA 1 ATOM 3984 C C . SER A 1 512 ? 8.248 11.496 11.588 1.00 44.13 ? 512 SER A C 1 ATOM 3985 O O . SER A 1 512 ? 7.242 11.156 12.243 1.00 43.86 ? 512 SER A O 1 ATOM 3986 C CB . SER A 1 512 ? 7.487 11.798 9.221 1.00 44.99 ? 512 SER A CB 1 ATOM 3987 O OG . SER A 1 512 ? 6.139 11.464 9.503 1.00 48.98 ? 512 SER A OG 1 ATOM 3988 N N . LEU A 1 513 ? 9.249 12.222 12.102 1.00 39.59 ? 513 LEU A N 1 ATOM 3989 C CA . LEU A 1 513 ? 9.212 12.791 13.440 1.00 38.58 ? 513 LEU A CA 1 ATOM 3990 C C . LEU A 1 513 ? 9.000 14.287 13.243 1.00 42.69 ? 513 LEU A C 1 ATOM 3991 O O . LEU A 1 513 ? 9.888 14.997 12.760 1.00 40.45 ? 513 LEU A O 1 ATOM 3992 C CB . LEU A 1 513 ? 10.511 12.508 14.230 1.00 37.70 ? 513 LEU A CB 1 ATOM 3993 C CG . LEU A 1 513 ? 10.856 11.041 14.547 1.00 41.84 ? 513 LEU A CG 1 ATOM 3994 C CD1 . LEU A 1 513 ? 12.116 10.965 15.394 1.00 39.85 ? 513 LEU A CD1 1 ATOM 3995 C CD2 . LEU A 1 513 ? 9.706 10.330 15.298 1.00 41.86 ? 513 LEU A CD2 1 ATOM 3996 N N . ASN A 1 514 ? 7.778 14.738 13.540 1.00 40.92 ? 514 ASN A N 1 ATOM 3997 C CA . ASN A 1 514 ? 7.381 16.142 13.411 1.00 41.72 ? 514 ASN A CA 1 ATOM 3998 C C . ASN A 1 514 ? 6.208 16.416 14.359 1.00 47.40 ? 514 ASN A C 1 ATOM 3999 O O . ASN A 1 514 ? 5.860 15.540 15.148 1.00 45.00 ? 514 ASN A O 1 ATOM 4000 C CB . ASN A 1 514 ? 7.080 16.531 11.931 1.00 40.68 ? 514 ASN A CB 1 ATOM 4001 C CG . ASN A 1 514 ? 6.054 15.675 11.232 1.00 51.87 ? 514 ASN A CG 1 ATOM 4002 O OD1 . ASN A 1 514 ? 5.019 15.307 11.789 1.00 48.36 ? 514 ASN A OD1 1 ATOM 4003 N ND2 . ASN A 1 514 ? 6.321 15.343 9.989 1.00 45.16 ? 514 ASN A ND2 1 ATOM 4004 N N . LEU A 1 515 ? 5.598 17.613 14.295 1.00 47.55 ? 515 LEU A N 1 ATOM 4005 C CA . LEU A 1 515 ? 4.497 17.963 15.214 1.00 48.74 ? 515 LEU A CA 1 ATOM 4006 C C . LEU A 1 515 ? 3.229 17.115 15.010 1.00 53.00 ? 515 LEU A C 1 ATOM 4007 O O . LEU A 1 515 ? 2.417 17.000 15.922 1.00 54.40 ? 515 LEU A O 1 ATOM 4008 C CB . LEU A 1 515 ? 4.178 19.472 15.174 1.00 49.12 ? 515 LEU A CB 1 ATOM 4009 C CG . LEU A 1 515 ? 5.318 20.450 15.481 1.00 52.48 ? 515 LEU A CG 1 ATOM 4010 C CD1 . LEU A 1 515 ? 4.839 21.885 15.336 1.00 52.67 ? 515 LEU A CD1 1 ATOM 4011 C CD2 . LEU A 1 515 ? 5.915 20.217 16.880 1.00 52.10 ? 515 LEU A CD2 1 ATOM 4012 N N . LYS A 1 516 ? 3.085 16.491 13.844 1.00 48.93 ? 516 LYS A N 1 ATOM 4013 C CA . LYS A 1 516 ? 1.936 15.634 13.549 1.00 50.07 ? 516 LYS A CA 1 ATOM 4014 C C . LYS A 1 516 ? 2.171 14.233 14.132 1.00 54.24 ? 516 LYS A C 1 ATOM 4015 O O . LYS A 1 516 ? 3.331 13.876 14.349 1.00 52.19 ? 516 LYS A O 1 ATOM 4016 C CB . LYS A 1 516 ? 1.709 15.542 12.024 1.00 51.61 ? 516 LYS A CB 1 ATOM 4017 C CG . LYS A 1 516 ? 1.358 16.867 11.362 1.00 64.82 ? 516 LYS A CG 1 ATOM 4018 C CD . LYS A 1 516 ? 0.826 16.683 9.939 1.00 76.59 ? 516 LYS A CD 1 ATOM 4019 C CE . LYS A 1 516 ? 1.878 16.756 8.855 1.00 88.37 ? 516 LYS A CE 1 ATOM 4020 N NZ . LYS A 1 516 ? 1.250 16.871 7.506 1.00 98.55 ? 516 LYS A NZ 1 ATOM 4021 N N . PRO A 1 517 ? 1.121 13.395 14.367 1.00 52.95 ? 517 PRO A N 1 ATOM 4022 C CA . PRO A 1 517 ? 1.375 12.022 14.850 1.00 52.52 ? 517 PRO A CA 1 ATOM 4023 C C . PRO A 1 517 ? 2.259 11.242 13.865 1.00 54.22 ? 517 PRO A C 1 ATOM 4024 O O . PRO A 1 517 ? 2.293 11.602 12.688 1.00 52.65 ? 517 PRO A O 1 ATOM 4025 C CB . PRO A 1 517 ? -0.034 11.409 14.908 1.00 55.41 ? 517 PRO A CB 1 ATOM 4026 C CG . PRO A 1 517 ? -0.948 12.570 15.039 1.00 59.96 ? 517 PRO A CG 1 ATOM 4027 C CD . PRO A 1 517 ? -0.329 13.622 14.177 1.00 55.43 ? 517 PRO A CD 1 ATOM 4028 N N . LEU A 1 518 ? 2.972 10.187 14.333 1.00 50.38 ? 518 LEU A N 1 ATOM 4029 C CA . LEU A 1 518 ? 3.845 9.363 13.481 1.00 49.59 ? 518 LEU A CA 1 ATOM 4030 C C . LEU A 1 518 ? 3.179 8.984 12.172 1.00 53.37 ? 518 LEU A C 1 ATOM 4031 O O . LEU A 1 518 ? 2.037 8.524 12.168 1.00 53.24 ? 518 LEU A O 1 ATOM 4032 C CB . LEU A 1 518 ? 4.212 8.036 14.167 1.00 49.84 ? 518 LEU A CB 1 ATOM 4033 C CG . LEU A 1 518 ? 5.281 7.982 15.192 1.00 52.88 ? 518 LEU A CG 1 ATOM 4034 C CD1 . LEU A 1 518 ? 5.615 6.548 15.489 1.00 53.63 ? 518 LEU A CD1 1 ATOM 4035 C CD2 . LEU A 1 518 ? 6.516 8.711 14.760 1.00 53.42 ? 518 LEU A CD2 1 ATOM 4036 N N . GLU A 1 519 ? 3.917 9.121 11.075 1.00 50.55 ? 519 GLU A N 1 ATOM 4037 C CA . GLU A 1 519 ? 3.449 8.730 9.753 1.00 51.05 ? 519 GLU A CA 1 ATOM 4038 C C . GLU A 1 519 ? 4.489 7.733 9.227 1.00 53.67 ? 519 GLU A C 1 ATOM 4039 O O . GLU A 1 519 ? 5.684 7.991 9.350 1.00 51.53 ? 519 GLU A O 1 ATOM 4040 C CB . GLU A 1 519 ? 3.326 9.980 8.853 1.00 52.50 ? 519 GLU A CB 1 ATOM 4041 C CG . GLU A 1 519 ? 2.920 9.731 7.405 1.00 64.59 ? 519 GLU A CG 1 ATOM 4042 C CD . GLU A 1 519 ? 3.066 10.948 6.507 1.00 81.67 ? 519 GLU A CD 1 ATOM 4043 O OE1 . GLU A 1 519 ? 2.232 11.875 6.631 1.00 84.74 ? 519 GLU A OE1 1 ATOM 4044 O OE2 . GLU A 1 519 ? 4.026 10.990 5.701 1.00 61.26 ? 519 GLU A OE2 1 ATOM 4045 N N . VAL A 1 520 ? 4.041 6.589 8.694 1.00 50.70 ? 520 VAL A N 1 ATOM 4046 C CA . VAL A 1 520 ? 4.934 5.557 8.160 1.00 49.37 ? 520 VAL A CA 1 ATOM 4047 C C . VAL A 1 520 ? 5.173 5.832 6.669 1.00 53.14 ? 520 VAL A C 1 ATOM 4048 O O . VAL A 1 520 ? 4.219 6.025 5.911 1.00 53.39 ? 520 VAL A O 1 ATOM 4049 C CB . VAL A 1 520 ? 4.370 4.132 8.406 1.00 53.03 ? 520 VAL A CB 1 ATOM 4050 C CG1 . VAL A 1 520 ? 5.278 3.059 7.810 1.00 52.37 ? 520 VAL A CG1 1 ATOM 4051 C CG2 . VAL A 1 520 ? 4.145 3.875 9.891 1.00 52.34 ? 520 VAL A CG2 1 ATOM 4052 N N . ARG A 1 521 ? 6.445 5.879 6.266 1.00 48.56 ? 521 ARG A N 1 ATOM 4053 C CA . ARG A 1 521 ? 6.847 6.080 4.877 1.00 47.92 ? 521 ARG A CA 1 ATOM 4054 C C . ARG A 1 521 ? 7.702 4.886 4.459 1.00 50.81 ? 521 ARG A C 1 ATOM 4055 O O . ARG A 1 521 ? 8.194 4.163 5.326 1.00 48.40 ? 521 ARG A O 1 ATOM 4056 C CB . ARG A 1 521 ? 7.604 7.408 4.704 1.00 47.13 ? 521 ARG A CB 1 ATOM 4057 C CG . ARG A 1 521 ? 6.760 8.633 5.018 1.00 50.14 ? 521 ARG A CG 1 ATOM 4058 C CD . ARG A 1 521 ? 7.547 9.911 4.881 1.00 49.62 ? 521 ARG A CD 1 ATOM 4059 N NE . ARG A 1 521 ? 6.819 11.030 5.477 1.00 49.11 ? 521 ARG A NE 1 ATOM 4060 C CZ . ARG A 1 521 ? 7.334 12.234 5.693 1.00 58.93 ? 521 ARG A CZ 1 ATOM 4061 N NH1 . ARG A 1 521 ? 8.587 12.501 5.346 1.00 45.98 ? 521 ARG A NH1 1 ATOM 4062 N NH2 . ARG A 1 521 ? 6.602 13.181 6.262 1.00 46.48 ? 521 ARG A NH2 1 ATOM 4063 N N . ARG A 1 522 ? 7.860 4.667 3.134 1.00 48.63 ? 522 ARG A N 1 ATOM 4064 C CA . ARG A 1 522 ? 8.622 3.552 2.562 1.00 48.93 ? 522 ARG A CA 1 ATOM 4065 C C . ARG A 1 522 ? 9.733 4.029 1.651 1.00 53.94 ? 522 ARG A C 1 ATOM 4066 O O . ARG A 1 522 ? 9.520 4.910 0.806 1.00 53.80 ? 522 ARG A O 1 ATOM 4067 C CB . ARG A 1 522 ? 7.692 2.605 1.778 1.00 51.28 ? 522 ARG A CB 1 ATOM 4068 C CG . ARG A 1 522 ? 6.892 1.689 2.695 1.00 62.15 ? 522 ARG A CG 1 ATOM 4069 C CD . ARG A 1 522 ? 5.450 1.499 2.286 1.00 71.17 ? 522 ARG A CD 1 ATOM 4070 N NE . ARG A 1 522 ? 4.673 1.015 3.432 1.00 88.60 ? 522 ARG A NE 1 ATOM 4071 C CZ . ARG A 1 522 ? 4.031 1.798 4.301 1.00 96.32 ? 522 ARG A CZ 1 ATOM 4072 N NH1 . ARG A 1 522 ? 4.019 3.119 4.136 1.00 79.10 ? 522 ARG A NH1 1 ATOM 4073 N NH2 . ARG A 1 522 ? 3.385 1.267 5.331 1.00 71.82 ? 522 ARG A NH2 1 ATOM 4074 N N . GLY A 1 523 ? 10.900 3.408 1.800 1.00 50.51 ? 523 GLY A N 1 ATOM 4075 C CA . GLY A 1 523 ? 12.066 3.710 0.981 1.00 49.75 ? 523 GLY A CA 1 ATOM 4076 C C . GLY A 1 523 ? 12.735 4.984 1.427 1.00 52.75 ? 523 GLY A C 1 ATOM 4077 O O . GLY A 1 523 ? 12.194 6.075 1.258 1.00 52.55 ? 523 GLY A O 1 ATOM 4078 N N . LEU A 1 524 ? 13.900 4.856 2.024 1.00 49.09 ? 524 LEU A N 1 ATOM 4079 C CA . LEU A 1 524 ? 14.612 6.027 2.484 1.00 48.83 ? 524 LEU A CA 1 ATOM 4080 C C . LEU A 1 524 ? 15.423 6.544 1.299 1.00 50.23 ? 524 LEU A C 1 ATOM 4081 O O . LEU A 1 524 ? 16.520 6.046 1.036 1.00 49.16 ? 524 LEU A O 1 ATOM 4082 C CB . LEU A 1 524 ? 15.482 5.648 3.692 1.00 49.56 ? 524 LEU A CB 1 ATOM 4083 C CG . LEU A 1 524 ? 16.143 6.789 4.470 1.00 55.72 ? 524 LEU A CG 1 ATOM 4084 C CD1 . LEU A 1 524 ? 15.122 7.896 4.882 1.00 56.17 ? 524 LEU A CD1 1 ATOM 4085 C CD2 . LEU A 1 524 ? 16.890 6.234 5.679 1.00 57.89 ? 524 LEU A CD2 1 ATOM 4086 N N . ARG A 1 525 ? 14.827 7.496 0.532 1.00 46.34 ? 525 ARG A N 1 ATOM 4087 C CA . ARG A 1 525 ? 15.397 8.100 -0.688 1.00 45.32 ? 525 ARG A CA 1 ATOM 4088 C C . ARG A 1 525 ? 15.918 6.950 -1.602 1.00 47.41 ? 525 ARG A C 1 ATOM 4089 O O . ARG A 1 525 ? 17.054 6.997 -2.046 1.00 46.13 ? 525 ARG A O 1 ATOM 4090 C CB . ARG A 1 525 ? 16.525 9.099 -0.275 1.00 44.89 ? 525 ARG A CB 1 ATOM 4091 C CG . ARG A 1 525 ? 16.764 10.208 -1.286 1.00 58.08 ? 525 ARG A CG 1 ATOM 4092 C CD . ARG A 1 525 ? 17.096 11.560 -0.685 1.00 67.42 ? 525 ARG A CD 1 ATOM 4093 N NE . ARG A 1 525 ? 16.074 12.058 0.239 1.00 77.25 ? 525 ARG A NE 1 ATOM 4094 C CZ . ARG A 1 525 ? 16.197 13.160 0.979 1.00 92.51 ? 525 ARG A CZ 1 ATOM 4095 N NH1 . ARG A 1 525 ? 17.285 13.918 0.882 1.00 63.72 ? 525 ARG A NH1 1 ATOM 4096 N NH2 . ARG A 1 525 ? 15.231 13.514 1.821 1.00 90.36 ? 525 ARG A NH2 1 ATOM 4097 N N . ALA A 1 526 ? 15.099 5.881 -1.802 1.00 45.36 ? 526 ALA A N 1 ATOM 4098 C CA . ALA A 1 526 ? 15.447 4.624 -2.480 1.00 46.59 ? 526 ALA A CA 1 ATOM 4099 C C . ALA A 1 526 ? 16.136 4.771 -3.855 1.00 49.46 ? 526 ALA A C 1 ATOM 4100 O O . ALA A 1 526 ? 17.209 4.188 -4.032 1.00 47.79 ? 526 ALA A O 1 ATOM 4101 C CB . ALA A 1 526 ? 14.223 3.709 -2.584 1.00 48.81 ? 526 ALA A CB 1 ATOM 4102 N N . GLN A 1 527 ? 15.546 5.532 -4.813 1.00 47.57 ? 527 GLN A N 1 ATOM 4103 C CA . GLN A 1 527 ? 16.137 5.728 -6.141 1.00 46.58 ? 527 GLN A CA 1 ATOM 4104 C C . GLN A 1 527 ? 17.469 6.443 -6.066 1.00 46.89 ? 527 GLN A C 1 ATOM 4105 O O . GLN A 1 527 ? 18.454 5.946 -6.604 1.00 47.24 ? 527 GLN A O 1 ATOM 4106 C CB . GLN A 1 527 ? 15.195 6.482 -7.119 1.00 48.75 ? 527 GLN A CB 1 ATOM 4107 C CG . GLN A 1 527 ? 14.032 5.685 -7.718 1.00 59.18 ? 527 GLN A CG 1 ATOM 4108 C CD . GLN A 1 527 ? 14.325 4.264 -8.128 1.00 63.03 ? 527 GLN A CD 1 ATOM 4109 O OE1 . GLN A 1 527 ? 13.945 3.324 -7.429 1.00 62.15 ? 527 GLN A OE1 1 ATOM 4110 N NE2 . GLN A 1 527 ? 14.970 4.068 -9.265 1.00 52.87 ? 527 GLN A NE2 1 ATOM 4111 N N . THR A 1 528 ? 17.507 7.593 -5.375 1.00 43.04 ? 528 THR A N 1 ATOM 4112 C CA . THR A 1 528 ? 18.720 8.397 -5.220 1.00 42.17 ? 528 THR A CA 1 ATOM 4113 C C . THR A 1 528 ? 19.812 7.646 -4.458 1.00 44.91 ? 528 THR A C 1 ATOM 4114 O O . THR A 1 528 ? 20.975 7.722 -4.847 1.00 45.14 ? 528 THR A O 1 ATOM 4115 C CB . THR A 1 528 ? 18.375 9.757 -4.617 1.00 49.27 ? 528 THR A CB 1 ATOM 4116 O OG1 . THR A 1 528 ? 17.663 10.493 -5.606 1.00 46.76 ? 528 THR A OG1 1 ATOM 4117 C CG2 . THR A 1 528 ? 19.599 10.558 -4.203 1.00 46.62 ? 528 THR A CG2 1 ATOM 4118 N N . CYS A 1 529 ? 19.447 6.881 -3.420 1.00 40.73 ? 529 CYS A N 1 ATOM 4119 C CA . CYS A 1 529 ? 20.480 6.185 -2.690 1.00 40.39 ? 529 CYS A CA 1 ATOM 4120 C C . CYS A 1 529 ? 21.007 4.965 -3.454 1.00 43.58 ? 529 CYS A C 1 ATOM 4121 O O . CYS A 1 529 ? 22.172 4.648 -3.269 1.00 42.89 ? 529 CYS A O 1 ATOM 4122 C CB . CYS A 1 529 ? 20.069 5.889 -1.251 1.00 41.02 ? 529 CYS A CB 1 ATOM 4123 S SG . CYS A 1 529 ? 19.977 7.388 -0.211 1.00 44.12 ? 529 CYS A SG 1 ATOM 4124 N N . ALA A 1 530 ? 20.260 4.426 -4.465 1.00 40.74 ? 530 ALA A N 1 ATOM 4125 C CA . ALA A 1 530 ? 20.799 3.375 -5.332 1.00 42.52 ? 530 ALA A CA 1 ATOM 4126 C C . ALA A 1 530 ? 21.915 3.995 -6.197 1.00 48.15 ? 530 ALA A C 1 ATOM 4127 O O . ALA A 1 530 ? 22.922 3.341 -6.481 1.00 48.06 ? 530 ALA A O 1 ATOM 4128 C CB . ALA A 1 530 ? 19.714 2.812 -6.235 1.00 44.73 ? 530 ALA A CB 1 ATOM 4129 N N . PHE A 1 531 ? 21.738 5.273 -6.592 1.00 44.95 ? 531 PHE A N 1 ATOM 4130 C CA . PHE A 1 531 ? 22.739 6.016 -7.348 1.00 44.50 ? 531 PHE A CA 1 ATOM 4131 C C . PHE A 1 531 ? 24.065 6.126 -6.532 1.00 46.46 ? 531 PHE A C 1 ATOM 4132 O O . PHE A 1 531 ? 25.126 5.760 -7.033 1.00 46.88 ? 531 PHE A O 1 ATOM 4133 C CB . PHE A 1 531 ? 22.194 7.405 -7.745 1.00 45.20 ? 531 PHE A CB 1 ATOM 4134 C CG . PHE A 1 531 ? 23.258 8.332 -8.268 1.00 45.00 ? 531 PHE A CG 1 ATOM 4135 C CD1 . PHE A 1 531 ? 23.748 8.195 -9.567 1.00 48.13 ? 531 PHE A CD1 1 ATOM 4136 C CD2 . PHE A 1 531 ? 23.783 9.337 -7.464 1.00 44.48 ? 531 PHE A CD2 1 ATOM 4137 C CE1 . PHE A 1 531 ? 24.741 9.048 -10.047 1.00 48.47 ? 531 PHE A CE1 1 ATOM 4138 C CE2 . PHE A 1 531 ? 24.787 10.184 -7.940 1.00 46.57 ? 531 PHE A CE2 1 ATOM 4139 C CZ . PHE A 1 531 ? 25.261 10.034 -9.229 1.00 45.78 ? 531 PHE A CZ 1 ATOM 4140 N N . TRP A 1 532 ? 23.989 6.626 -5.302 1.00 41.46 ? 532 TRP A N 1 ATOM 4141 C CA . TRP A 1 532 ? 25.153 6.786 -4.410 1.00 41.25 ? 532 TRP A CA 1 ATOM 4142 C C . TRP A 1 532 ? 25.763 5.461 -3.935 1.00 45.79 ? 532 TRP A C 1 ATOM 4143 O O . TRP A 1 532 ? 26.980 5.308 -3.985 1.00 45.05 ? 532 TRP A O 1 ATOM 4144 C CB . TRP A 1 532 ? 24.809 7.643 -3.180 1.00 38.15 ? 532 TRP A CB 1 ATOM 4145 C CG . TRP A 1 532 ? 24.521 9.081 -3.505 1.00 38.05 ? 532 TRP A CG 1 ATOM 4146 C CD1 . TRP A 1 532 ? 23.295 9.684 -3.564 1.00 40.60 ? 532 TRP A CD1 1 ATOM 4147 C CD2 . TRP A 1 532 ? 25.481 10.086 -3.865 1.00 36.91 ? 532 TRP A CD2 1 ATOM 4148 N NE1 . TRP A 1 532 ? 23.437 11.015 -3.884 1.00 38.64 ? 532 TRP A NE1 1 ATOM 4149 C CE2 . TRP A 1 532 ? 24.768 11.287 -4.087 1.00 39.58 ? 532 TRP A CE2 1 ATOM 4150 C CE3 . TRP A 1 532 ? 26.880 10.092 -4.011 1.00 37.39 ? 532 TRP A CE3 1 ATOM 4151 C CZ2 . TRP A 1 532 ? 25.409 12.481 -4.448 1.00 37.80 ? 532 TRP A CZ2 1 ATOM 4152 C CZ3 . TRP A 1 532 ? 27.508 11.277 -4.370 1.00 37.60 ? 532 TRP A CZ3 1 ATOM 4153 C CH2 . TRP A 1 532 ? 26.776 12.455 -4.565 1.00 37.40 ? 532 TRP A CH2 1 ATOM 4154 N N . ASN A 1 533 ? 24.922 4.505 -3.521 1.00 43.16 ? 533 ASN A N 1 ATOM 4155 C CA . ASN A 1 533 ? 25.358 3.236 -2.926 1.00 44.19 ? 533 ASN A CA 1 ATOM 4156 C C . ASN A 1 533 ? 25.695 2.134 -3.913 1.00 50.53 ? 533 ASN A C 1 ATOM 4157 O O . ASN A 1 533 ? 26.534 1.300 -3.587 1.00 51.05 ? 533 ASN A O 1 ATOM 4158 C CB . ASN A 1 533 ? 24.326 2.739 -1.906 1.00 40.41 ? 533 ASN A CB 1 ATOM 4159 C CG . ASN A 1 533 ? 24.127 3.721 -0.775 1.00 52.20 ? 533 ASN A CG 1 ATOM 4160 O OD1 . ASN A 1 533 ? 24.940 4.605 -0.562 1.00 47.46 ? 533 ASN A OD1 1 ATOM 4161 N ND2 . ASN A 1 533 ? 23.029 3.626 -0.045 1.00 44.66 ? 533 ASN A ND2 1 ATOM 4162 N N . ARG A 1 534 ? 25.047 2.097 -5.083 1.00 48.16 ? 534 ARG A N 1 ATOM 4163 C CA . ARG A 1 534 ? 25.303 1.035 -6.055 1.00 49.35 ? 534 ARG A CA 1 ATOM 4164 C C . ARG A 1 534 ? 26.010 1.511 -7.303 1.00 55.70 ? 534 ARG A C 1 ATOM 4165 O O . ARG A 1 534 ? 26.952 0.847 -7.749 1.00 58.16 ? 534 ARG A O 1 ATOM 4166 C CB . ARG A 1 534 ? 24.016 0.301 -6.430 1.00 47.84 ? 534 ARG A CB 1 ATOM 4167 C CG . ARG A 1 534 ? 23.268 -0.272 -5.244 1.00 55.43 ? 534 ARG A CG 1 ATOM 4168 C CD . ARG A 1 534 ? 21.889 -0.719 -5.659 1.00 58.08 ? 534 ARG A CD 1 ATOM 4169 N NE . ARG A 1 534 ? 21.052 -1.000 -4.495 1.00 68.17 ? 534 ARG A NE 1 ATOM 4170 C CZ . ARG A 1 534 ? 20.854 -2.212 -3.984 1.00 79.54 ? 534 ARG A CZ 1 ATOM 4171 N NH1 . ARG A 1 534 ? 21.410 -3.281 -4.549 1.00 65.73 ? 534 ARG A NH1 1 ATOM 4172 N NH2 . ARG A 1 534 ? 20.077 -2.371 -2.920 1.00 61.42 ? 534 ARG A NH2 1 ATOM 4173 N N . PHE A 1 535 ? 25.557 2.630 -7.898 1.00 50.03 ? 535 PHE A N 1 ATOM 4174 C CA . PHE A 1 535 ? 26.174 3.066 -9.138 1.00 49.48 ? 535 PHE A CA 1 ATOM 4175 C C . PHE A 1 535 ? 27.500 3.768 -8.952 1.00 53.33 ? 535 PHE A C 1 ATOM 4176 O O . PHE A 1 535 ? 28.459 3.353 -9.590 1.00 54.02 ? 535 PHE A O 1 ATOM 4177 C CB . PHE A 1 535 ? 25.233 3.914 -10.012 1.00 50.46 ? 535 PHE A CB 1 ATOM 4178 C CG . PHE A 1 535 ? 25.892 4.279 -11.323 1.00 51.93 ? 535 PHE A CG 1 ATOM 4179 C CD1 . PHE A 1 535 ? 26.140 3.309 -12.289 1.00 54.96 ? 535 PHE A CD1 1 ATOM 4180 C CD2 . PHE A 1 535 ? 26.336 5.572 -11.556 1.00 52.12 ? 535 PHE A CD2 1 ATOM 4181 C CE1 . PHE A 1 535 ? 26.800 3.635 -13.474 1.00 57.06 ? 535 PHE A CE1 1 ATOM 4182 C CE2 . PHE A 1 535 ? 26.968 5.904 -12.756 1.00 55.42 ? 535 PHE A CE2 1 ATOM 4183 C CZ . PHE A 1 535 ? 27.197 4.935 -13.708 1.00 55.24 ? 535 PHE A CZ 1 ATOM 4184 N N . LEU A 1 536 ? 27.552 4.858 -8.178 1.00 50.02 ? 536 LEU A N 1 ATOM 4185 C CA . LEU A 1 536 ? 28.781 5.638 -8.016 1.00 52.16 ? 536 LEU A CA 1 ATOM 4186 C C . LEU A 1 536 ? 30.019 4.802 -7.621 1.00 62.07 ? 536 LEU A C 1 ATOM 4187 O O . LEU A 1 536 ? 31.057 5.023 -8.256 1.00 63.52 ? 536 LEU A O 1 ATOM 4188 C CB . LEU A 1 536 ? 28.610 6.837 -7.094 1.00 51.76 ? 536 LEU A CB 1 ATOM 4189 C CG . LEU A 1 536 ? 28.234 8.167 -7.771 1.00 57.97 ? 536 LEU A CG 1 ATOM 4190 C CD1 . LEU A 1 536 ? 29.097 9.284 -7.247 1.00 61.62 ? 536 LEU A CD1 1 ATOM 4191 C CD2 . LEU A 1 536 ? 28.362 8.113 -9.328 1.00 58.53 ? 536 LEU A CD2 1 ATOM 4192 N N . PRO A 1 537 ? 29.957 3.795 -6.692 1.00 61.50 ? 537 PRO A N 1 ATOM 4193 C CA . PRO A 1 537 ? 31.153 2.974 -6.447 1.00 62.97 ? 537 PRO A CA 1 ATOM 4194 C C . PRO A 1 537 ? 31.657 2.307 -7.742 1.00 72.52 ? 537 PRO A C 1 ATOM 4195 O O . PRO A 1 537 ? 32.850 2.393 -8.008 1.00 73.85 ? 537 PRO A O 1 ATOM 4196 C CB . PRO A 1 537 ? 30.662 1.946 -5.420 1.00 64.20 ? 537 PRO A CB 1 ATOM 4197 C CG . PRO A 1 537 ? 29.537 2.613 -4.732 1.00 66.57 ? 537 PRO A CG 1 ATOM 4198 C CD . PRO A 1 537 ? 28.841 3.347 -5.829 1.00 62.00 ? 537 PRO A CD 1 ATOM 4199 N N . LYS A 1 538 ? 30.752 1.738 -8.582 1.00 71.26 ? 538 LYS A N 1 ATOM 4200 C CA . LYS A 1 538 ? 31.101 1.101 -9.869 1.00 73.12 ? 538 LYS A CA 1 ATOM 4201 C C . LYS A 1 538 ? 31.742 2.074 -10.868 1.00 81.70 ? 538 LYS A C 1 ATOM 4202 O O . LYS A 1 538 ? 32.589 1.668 -11.655 1.00 82.83 ? 538 LYS A O 1 ATOM 4203 C CB . LYS A 1 538 ? 29.898 0.376 -10.485 1.00 74.96 ? 538 LYS A CB 1 ATOM 4204 C CG . LYS A 1 538 ? 29.565 -0.944 -9.793 1.00 83.34 ? 538 LYS A CG 1 ATOM 4205 C CD . LYS A 1 538 ? 28.394 -1.644 -10.468 1.00 94.72 ? 538 LYS A CD 1 ATOM 4206 C CE . LYS A 1 538 ? 27.926 -2.877 -9.733 1.00 108.41 ? 538 LYS A CE 1 ATOM 4207 N NZ . LYS A 1 538 ? 28.760 -4.070 -10.041 1.00 120.79 ? 538 LYS A NZ 1 ATOM 4208 N N . LEU A 1 539 ? 31.381 3.362 -10.798 1.00 81.54 ? 539 LEU A N 1 ATOM 4209 C CA . LEU A 1 539 ? 31.950 4.409 -11.643 1.00 83.48 ? 539 LEU A CA 1 ATOM 4210 C C . LEU A 1 539 ? 33.379 4.725 -11.215 1.00 94.95 ? 539 LEU A C 1 ATOM 4211 O O . LEU A 1 539 ? 34.178 5.166 -12.040 1.00 96.60 ? 539 LEU A O 1 ATOM 4212 C CB . LEU A 1 539 ? 31.078 5.668 -11.600 1.00 81.98 ? 539 LEU A CB 1 ATOM 4213 C CG . LEU A 1 539 ? 31.146 6.586 -12.804 1.00 85.59 ? 539 LEU A CG 1 ATOM 4214 C CD1 . LEU A 1 539 ? 30.889 5.830 -14.087 1.00 87.16 ? 539 LEU A CD1 1 ATOM 4215 C CD2 . LEU A 1 539 ? 30.134 7.673 -12.683 1.00 85.47 ? 539 LEU A CD2 1 ATOM 4216 N N . LEU A 1 540 ? 33.705 4.474 -9.933 1.00 94.99 ? 540 LEU A N 1 ATOM 4217 C CA . LEU A 1 540 ? 35.041 4.646 -9.380 1.00 96.33 ? 540 LEU A CA 1 ATOM 4218 C C . LEU A 1 540 ? 35.889 3.368 -9.636 1.00 104.39 ? 540 LEU A C 1 ATOM 4219 O O . LEU A 1 540 ? 37.024 3.478 -10.107 1.00 104.74 ? 540 LEU A O 1 ATOM 4220 C CB . LEU A 1 540 ? 34.934 4.967 -7.873 1.00 95.22 ? 540 LEU A CB 1 ATOM 4221 C CG . LEU A 1 540 ? 36.228 4.972 -7.081 1.00 100.14 ? 540 LEU A CG 1 ATOM 4222 C CD1 . LEU A 1 540 ? 37.064 6.204 -7.389 1.00 100.11 ? 540 LEU A CD1 1 ATOM 4223 C CD2 . LEU A 1 540 ? 35.952 4.880 -5.592 1.00 102.70 ? 540 LEU A CD2 1 ATOM 4224 N N . SER A 1 541 ? 35.317 2.172 -9.343 1.00 103.40 ? 541 SER A N 1 ATOM 4225 C CA . SER A 1 541 ? 35.943 0.847 -9.494 1.00 105.56 ? 541 SER A CA 1 ATOM 4226 C C . SER A 1 541 ? 36.408 0.512 -10.914 1.00 113.54 ? 541 SER A C 1 ATOM 4227 O O . SER A 1 541 ? 37.366 -0.248 -11.067 1.00 114.86 ? 541 SER A O 1 ATOM 4228 C CB . SER A 1 541 ? 35.010 -0.254 -8.991 1.00 109.66 ? 541 SER A CB 1 ATOM 4229 O OG . SER A 1 541 ? 35.106 -0.442 -7.590 1.00 118.58 ? 541 SER A OG 1 ATOM 4230 N N . ALA A 1 542 ? 35.722 1.048 -11.942 1.00 111.30 ? 542 ALA A N 1 ATOM 4231 C CA . ALA A 1 542 ? 36.030 0.814 -13.355 1.00 112.78 ? 542 ALA A CA 1 ATOM 4232 C C . ALA A 1 542 ? 36.827 1.954 -13.993 1.00 117.29 ? 542 ALA A C 1 ATOM 4233 O O . ALA A 1 542 ? 37.651 1.694 -14.878 1.00 118.89 ? 542 ALA A O 1 ATOM 4234 C CB . ALA A 1 542 ? 34.747 0.578 -14.138 1.00 113.94 ? 542 ALA A CB 1 ATOM 4235 N N . THR A 1 543 ? 36.531 3.217 -13.607 1.00 111.96 ? 543 THR A N 1 ATOM 4236 C CA . THR A 1 543 ? 37.177 4.419 -14.144 1.00 140.01 ? 543 THR A CA 1 ATOM 4237 C C . THR A 1 543 ? 37.390 5.474 -13.056 1.00 174.10 ? 543 THR A C 1 ATOM 4238 O O . THR A 1 543 ? 38.237 6.357 -13.201 1.00 137.10 ? 543 THR A O 1 ATOM 4239 C CB . THR A 1 543 ? 36.342 4.996 -15.279 1.00 140.91 ? 543 THR A CB 1 ATOM 4240 N N . ARG B 1 3 ? -18.774 3.804 -71.421 1.00 101.29 ? 3 ARG B N 1 ATOM 4241 C CA . ARG B 1 3 ? -18.697 5.215 -71.054 1.00 100.70 ? 3 ARG B CA 1 ATOM 4242 C C . ARG B 1 3 ? -17.809 5.423 -69.818 1.00 101.60 ? 3 ARG B C 1 ATOM 4243 O O . ARG B 1 3 ? -18.193 5.083 -68.689 1.00 102.39 ? 3 ARG B O 1 ATOM 4244 C CB . ARG B 1 3 ? -20.092 5.788 -70.828 1.00 103.63 ? 3 ARG B CB 1 ATOM 4245 N N . GLU B 1 4 ? -16.599 5.959 -70.045 1.00 93.13 ? 4 GLU B N 1 ATOM 4246 C CA . GLU B 1 4 ? -15.636 6.229 -68.986 1.00 88.99 ? 4 GLU B CA 1 ATOM 4247 C C . GLU B 1 4 ? -16.073 7.404 -68.110 1.00 89.24 ? 4 GLU B C 1 ATOM 4248 O O . GLU B 1 4 ? -16.720 8.341 -68.592 1.00 90.33 ? 4 GLU B O 1 ATOM 4249 C CB . GLU B 1 4 ? -14.247 6.498 -69.576 1.00 88.89 ? 4 GLU B CB 1 ATOM 4250 C CG . GLU B 1 4 ? -13.498 5.240 -69.976 1.00 98.27 ? 4 GLU B CG 1 ATOM 4251 C CD . GLU B 1 4 ? -11.995 5.343 -69.826 1.00 113.68 ? 4 GLU B CD 1 ATOM 4252 O OE1 . GLU B 1 4 ? -11.527 5.489 -68.674 1.00 100.06 ? 4 GLU B OE1 1 ATOM 4253 O OE2 . GLU B 1 4 ? -11.283 5.276 -70.855 1.00 108.62 ? 4 GLU B OE2 1 ATOM 4254 N N . ASP B 1 5 ? -15.717 7.344 -66.816 1.00 80.79 ? 5 ASP B N 1 ATOM 4255 C CA . ASP B 1 5 ? -16.004 8.403 -65.854 1.00 78.45 ? 5 ASP B CA 1 ATOM 4256 C C . ASP B 1 5 ? -14.870 9.427 -66.002 1.00 79.20 ? 5 ASP B C 1 ATOM 4257 O O . ASP B 1 5 ? -13.716 9.071 -65.763 1.00 77.05 ? 5 ASP B O 1 ATOM 4258 C CB . ASP B 1 5 ? -16.053 7.816 -64.435 1.00 78.24 ? 5 ASP B CB 1 ATOM 4259 C CG . ASP B 1 5 ? -16.625 8.695 -63.337 1.00 76.45 ? 5 ASP B CG 1 ATOM 4260 O OD1 . ASP B 1 5 ? -16.559 9.946 -63.471 1.00 73.81 ? 5 ASP B OD1 1 ATOM 4261 O OD2 . ASP B 1 5 ? -17.075 8.136 -62.315 1.00 78.08 ? 5 ASP B OD2 1 ATOM 4262 N N . PRO B 1 6 ? -15.151 10.679 -66.443 1.00 76.57 ? 6 PRO B N 1 ATOM 4263 C CA . PRO B 1 6 ? -14.059 11.657 -66.630 1.00 75.02 ? 6 PRO B CA 1 ATOM 4264 C C . PRO B 1 6 ? -13.282 12.003 -65.369 1.00 76.34 ? 6 PRO B C 1 ATOM 4265 O O . PRO B 1 6 ? -12.130 12.426 -65.483 1.00 75.49 ? 6 PRO B O 1 ATOM 4266 C CB . PRO B 1 6 ? -14.762 12.878 -67.229 1.00 78.97 ? 6 PRO B CB 1 ATOM 4267 C CG . PRO B 1 6 ? -16.182 12.729 -66.847 1.00 85.12 ? 6 PRO B CG 1 ATOM 4268 C CD . PRO B 1 6 ? -16.457 11.260 -66.819 1.00 80.50 ? 6 PRO B CD 1 ATOM 4269 N N . GLN B 1 7 ? -13.887 11.787 -64.172 1.00 70.79 ? 7 GLN B N 1 ATOM 4270 C CA . GLN B 1 7 ? -13.233 11.997 -62.871 1.00 68.15 ? 7 GLN B CA 1 ATOM 4271 C C . GLN B 1 7 ? -12.155 10.931 -62.629 1.00 67.74 ? 7 GLN B C 1 ATOM 4272 O O . GLN B 1 7 ? -11.222 11.156 -61.854 1.00 65.39 ? 7 GLN B O 1 ATOM 4273 C CB . GLN B 1 7 ? -14.258 11.948 -61.720 1.00 69.96 ? 7 GLN B CB 1 ATOM 4274 C CG . GLN B 1 7 ? -15.277 13.095 -61.723 1.00 81.50 ? 7 GLN B CG 1 ATOM 4275 C CD . GLN B 1 7 ? -14.662 14.442 -61.417 1.00 91.97 ? 7 GLN B CD 1 ATOM 4276 O OE1 . GLN B 1 7 ? -13.664 14.558 -60.710 1.00 81.46 ? 7 GLN B OE1 1 ATOM 4277 N NE2 . GLN B 1 7 ? -15.255 15.495 -61.938 1.00 86.89 ? 7 GLN B NE2 1 ATOM 4278 N N . LEU B 1 8 ? -12.303 9.768 -63.281 1.00 62.05 ? 8 LEU B N 1 ATOM 4279 C CA . LEU B 1 8 ? -11.386 8.648 -63.134 1.00 59.58 ? 8 LEU B CA 1 ATOM 4280 C C . LEU B 1 8 ? -10.287 8.636 -64.212 1.00 62.18 ? 8 LEU B C 1 ATOM 4281 O O . LEU B 1 8 ? -9.397 7.791 -64.172 1.00 60.33 ? 8 LEU B O 1 ATOM 4282 C CB . LEU B 1 8 ? -12.162 7.313 -63.060 1.00 59.63 ? 8 LEU B CB 1 ATOM 4283 C CG . LEU B 1 8 ? -13.217 7.212 -61.937 1.00 63.47 ? 8 LEU B CG 1 ATOM 4284 C CD1 . LEU B 1 8 ? -13.943 5.876 -61.982 1.00 63.84 ? 8 LEU B CD1 1 ATOM 4285 C CD2 . LEU B 1 8 ? -12.610 7.476 -60.557 1.00 61.32 ? 8 LEU B CD2 1 ATOM 4286 N N . LEU B 1 9 ? -10.301 9.632 -65.099 1.00 59.43 ? 9 LEU B N 1 ATOM 4287 C CA . LEU B 1 9 ? -9.321 9.780 -66.166 1.00 59.51 ? 9 LEU B CA 1 ATOM 4288 C C . LEU B 1 9 ? -8.457 10.977 -65.918 1.00 60.98 ? 9 LEU B C 1 ATOM 4289 O O . LEU B 1 9 ? -8.948 12.099 -65.825 1.00 62.29 ? 9 LEU B O 1 ATOM 4290 C CB . LEU B 1 9 ? -9.996 9.887 -67.540 1.00 61.90 ? 9 LEU B CB 1 ATOM 4291 C CG . LEU B 1 9 ? -10.337 8.592 -68.205 1.00 68.35 ? 9 LEU B CG 1 ATOM 4292 C CD1 . LEU B 1 9 ? -11.251 8.847 -69.386 1.00 71.60 ? 9 LEU B CD1 1 ATOM 4293 C CD2 . LEU B 1 9 ? -9.055 7.854 -68.667 1.00 70.91 ? 9 LEU B CD2 1 ATOM 4294 N N . VAL B 1 10 ? -7.160 10.720 -65.805 1.00 54.90 ? 10 VAL B N 1 ATOM 4295 C CA A VAL B 1 10 ? -6.123 11.716 -65.503 0.50 53.86 ? 10 VAL B CA 1 ATOM 4296 C CA B VAL B 1 10 ? -6.164 11.751 -65.565 0.50 53.72 ? 10 VAL B CA 1 ATOM 4297 C C . VAL B 1 10 ? -4.940 11.482 -66.446 1.00 57.55 ? 10 VAL B C 1 ATOM 4298 O O . VAL B 1 10 ? -4.585 10.333 -66.684 1.00 57.51 ? 10 VAL B O 1 ATOM 4299 C CB A VAL B 1 10 ? -5.670 11.601 -64.006 0.50 55.72 ? 10 VAL B CB 1 ATOM 4300 C CB B VAL B 1 10 ? -5.820 11.865 -64.051 0.50 55.44 ? 10 VAL B CB 1 ATOM 4301 C CG1 A VAL B 1 10 ? -4.405 12.406 -63.719 0.50 54.29 ? 10 VAL B CG1 1 ATOM 4302 C CG1 B VAL B 1 10 ? -5.078 10.637 -63.546 0.50 53.37 ? 10 VAL B CG1 1 ATOM 4303 C CG2 A VAL B 1 10 ? -6.777 12.014 -63.051 0.50 56.10 ? 10 VAL B CG2 1 ATOM 4304 C CG2 B VAL B 1 10 ? -5.038 13.133 -63.746 0.50 54.81 ? 10 VAL B CG2 1 ATOM 4305 N N . ARG B 1 11 ? -4.297 12.558 -66.920 1.00 53.97 ? 11 ARG B N 1 ATOM 4306 C CA . ARG B 1 11 ? -3.088 12.512 -67.725 1.00 52.92 ? 11 ARG B CA 1 ATOM 4307 C C . ARG B 1 11 ? -1.946 13.033 -66.835 1.00 55.04 ? 11 ARG B C 1 ATOM 4308 O O . ARG B 1 11 ? -2.027 14.150 -66.308 1.00 55.20 ? 11 ARG B O 1 ATOM 4309 C CB . ARG B 1 11 ? -3.219 13.389 -68.984 1.00 54.23 ? 11 ARG B CB 1 ATOM 4310 C CG . ARG B 1 11 ? -1.966 13.347 -69.864 1.00 62.49 ? 11 ARG B CG 1 ATOM 4311 C CD . ARG B 1 11 ? -2.119 14.110 -71.169 1.00 69.60 ? 11 ARG B CD 1 ATOM 4312 N NE . ARG B 1 11 ? -2.954 13.399 -72.140 1.00 82.09 ? 11 ARG B NE 1 ATOM 4313 C CZ . ARG B 1 11 ? -2.527 12.413 -72.928 1.00 91.11 ? 11 ARG B CZ 1 ATOM 4314 N NH1 . ARG B 1 11 ? -1.269 11.991 -72.855 1.00 65.68 ? 11 ARG B NH1 1 ATOM 4315 N NH2 . ARG B 1 11 ? -3.356 11.835 -73.785 1.00 83.34 ? 11 ARG B NH2 1 ATOM 4316 N N . VAL B 1 12 ? -0.904 12.217 -66.653 1.00 49.84 ? 12 VAL B N 1 ATOM 4317 C CA . VAL B 1 12 ? 0.308 12.581 -65.911 1.00 48.58 ? 12 VAL B CA 1 ATOM 4318 C C . VAL B 1 12 ? 1.440 12.704 -66.951 1.00 53.47 ? 12 VAL B C 1 ATOM 4319 O O . VAL B 1 12 ? 1.192 12.434 -68.118 1.00 52.64 ? 12 VAL B O 1 ATOM 4320 C CB . VAL B 1 12 ? 0.624 11.646 -64.705 1.00 50.26 ? 12 VAL B CB 1 ATOM 4321 C CG1 . VAL B 1 12 ? -0.447 11.777 -63.623 1.00 49.84 ? 12 VAL B CG1 1 ATOM 4322 C CG2 . VAL B 1 12 ? 0.798 10.193 -65.136 1.00 49.37 ? 12 VAL B CG2 1 ATOM 4323 N N . ARG B 1 13 ? 2.642 13.150 -66.565 1.00 51.50 ? 13 ARG B N 1 ATOM 4324 C CA . ARG B 1 13 ? 3.739 13.302 -67.529 1.00 52.18 ? 13 ARG B CA 1 ATOM 4325 C C . ARG B 1 13 ? 4.053 12.017 -68.348 1.00 55.11 ? 13 ARG B C 1 ATOM 4326 O O . ARG B 1 13 ? 4.385 12.143 -69.518 1.00 54.60 ? 13 ARG B O 1 ATOM 4327 C CB . ARG B 1 13 ? 4.997 13.848 -66.849 1.00 52.86 ? 13 ARG B CB 1 ATOM 4328 C CG . ARG B 1 13 ? 4.859 15.307 -66.405 1.00 65.95 ? 13 ARG B CG 1 ATOM 4329 C CD . ARG B 1 13 ? 6.215 15.959 -66.207 1.00 78.69 ? 13 ARG B CD 1 ATOM 4330 N NE . ARG B 1 13 ? 6.102 17.291 -65.608 1.00 94.83 ? 13 ARG B NE 1 ATOM 4331 C CZ . ARG B 1 13 ? 7.136 18.041 -65.236 1.00 108.88 ? 13 ARG B CZ 1 ATOM 4332 N NH1 . ARG B 1 13 ? 8.380 17.605 -65.407 1.00 95.65 ? 13 ARG B NH1 1 ATOM 4333 N NH2 . ARG B 1 13 ? 6.935 19.233 -64.688 1.00 92.80 ? 13 ARG B NH2 1 ATOM 4334 N N . GLY B 1 14 ? 3.926 10.825 -67.741 1.00 49.65 ? 14 GLY B N 1 ATOM 4335 C CA . GLY B 1 14 ? 4.172 9.541 -68.398 1.00 47.95 ? 14 GLY B CA 1 ATOM 4336 C C . GLY B 1 14 ? 3.032 9.073 -69.285 1.00 49.86 ? 14 GLY B C 1 ATOM 4337 O O . GLY B 1 14 ? 3.213 8.155 -70.084 1.00 47.54 ? 14 GLY B O 1 ATOM 4338 N N . GLY B 1 15 ? 1.848 9.675 -69.142 1.00 46.19 ? 15 GLY B N 1 ATOM 4339 C CA . GLY B 1 15 ? 0.699 9.273 -69.951 1.00 47.37 ? 15 GLY B CA 1 ATOM 4340 C C . GLY B 1 15 ? -0.633 9.253 -69.231 1.00 51.57 ? 15 GLY B C 1 ATOM 4341 O O . GLY B 1 15 ? -0.765 9.828 -68.160 1.00 50.48 ? 15 GLY B O 1 ATOM 4342 N N . GLN B 1 16 ? -1.630 8.585 -69.830 1.00 47.54 ? 16 GLN B N 1 ATOM 4343 C CA . GLN B 1 16 ? -2.982 8.501 -69.274 1.00 47.18 ? 16 GLN B CA 1 ATOM 4344 C C . GLN B 1 16 ? -3.148 7.410 -68.244 1.00 49.72 ? 16 GLN B C 1 ATOM 4345 O O . GLN B 1 16 ? -2.550 6.347 -68.374 1.00 48.76 ? 16 GLN B O 1 ATOM 4346 C CB . GLN B 1 16 ? -4.036 8.351 -70.378 1.00 49.41 ? 16 GLN B CB 1 ATOM 4347 C CG . GLN B 1 16 ? -4.298 9.635 -71.153 1.00 63.34 ? 16 GLN B CG 1 ATOM 4348 C CD . GLN B 1 16 ? -5.310 9.417 -72.260 1.00 84.77 ? 16 GLN B CD 1 ATOM 4349 O OE1 . GLN B 1 16 ? -5.121 8.593 -73.172 1.00 79.45 ? 16 GLN B OE1 1 ATOM 4350 N NE2 . GLN B 1 16 ? -6.410 10.150 -72.197 1.00 76.97 ? 16 GLN B NE2 1 ATOM 4351 N N . LEU B 1 17 ? -3.974 7.681 -67.228 1.00 46.29 ? 17 LEU B N 1 ATOM 4352 C CA . LEU B 1 17 ? -4.282 6.768 -66.133 1.00 46.71 ? 17 LEU B CA 1 ATOM 4353 C C . LEU B 1 17 ? -5.776 6.653 -65.975 1.00 52.40 ? 17 LEU B C 1 ATOM 4354 O O . LEU B 1 17 ? -6.503 7.621 -66.216 1.00 54.08 ? 17 LEU B O 1 ATOM 4355 C CB . LEU B 1 17 ? -3.746 7.318 -64.775 1.00 46.11 ? 17 LEU B CB 1 ATOM 4356 C CG . LEU B 1 17 ? -2.277 7.605 -64.624 1.00 49.61 ? 17 LEU B CG 1 ATOM 4357 C CD1 . LEU B 1 17 ? -2.052 8.441 -63.433 1.00 48.81 ? 17 LEU B CD1 1 ATOM 4358 C CD2 . LEU B 1 17 ? -1.483 6.316 -64.462 1.00 51.97 ? 17 LEU B CD2 1 ATOM 4359 N N . ARG B 1 18 ? -6.224 5.478 -65.515 1.00 49.11 ? 18 ARG B N 1 ATOM 4360 C CA . ARG B 1 18 ? -7.613 5.225 -65.163 1.00 49.23 ? 18 ARG B CA 1 ATOM 4361 C C . ARG B 1 18 ? -7.653 4.750 -63.738 1.00 51.83 ? 18 ARG B C 1 ATOM 4362 O O . ARG B 1 18 ? -7.122 3.680 -63.421 1.00 49.56 ? 18 ARG B O 1 ATOM 4363 C CB . ARG B 1 18 ? -8.297 4.200 -66.062 1.00 46.46 ? 18 ARG B CB 1 ATOM 4364 C CG . ARG B 1 18 ? -9.805 4.106 -65.757 1.00 56.92 ? 18 ARG B CG 1 ATOM 4365 C CD . ARG B 1 18 ? -10.493 2.940 -66.437 1.00 65.61 ? 18 ARG B CD 1 ATOM 4366 N NE . ARG B 1 18 ? -10.466 3.080 -67.895 1.00 72.90 ? 18 ARG B NE 1 ATOM 4367 C CZ . ARG B 1 18 ? -9.597 2.472 -68.698 1.00 84.11 ? 18 ARG B CZ 1 ATOM 4368 N NH1 . ARG B 1 18 ? -8.676 1.650 -68.197 1.00 68.73 ? 18 ARG B NH1 1 ATOM 4369 N NH2 . ARG B 1 18 ? -9.632 2.688 -70.005 1.00 68.99 ? 18 ARG B NH2 1 ATOM 4370 N N . GLY B 1 19 ? -8.329 5.527 -62.904 1.00 49.43 ? 19 GLY B N 1 ATOM 4371 C CA . GLY B 1 19 ? -8.497 5.211 -61.498 1.00 47.86 ? 19 GLY B CA 1 ATOM 4372 C C . GLY B 1 19 ? -9.799 4.489 -61.239 1.00 53.12 ? 19 GLY B C 1 ATOM 4373 O O . GLY B 1 19 ? -10.485 4.056 -62.170 1.00 52.22 ? 19 GLY B O 1 ATOM 4374 N N . ILE B 1 20 ? -10.156 4.388 -59.963 1.00 49.73 ? 20 ILE B N 1 ATOM 4375 C CA . ILE B 1 20 ? -11.370 3.700 -59.537 1.00 50.72 ? 20 ILE B CA 1 ATOM 4376 C C . ILE B 1 20 ? -12.162 4.563 -58.536 1.00 54.59 ? 20 ILE B C 1 ATOM 4377 O O . ILE B 1 20 ? -11.573 5.272 -57.711 1.00 52.27 ? 20 ILE B O 1 ATOM 4378 C CB . ILE B 1 20 ? -10.993 2.287 -58.981 1.00 53.41 ? 20 ILE B CB 1 ATOM 4379 C CG1 . ILE B 1 20 ? -12.247 1.411 -58.711 1.00 55.52 ? 20 ILE B CG1 1 ATOM 4380 C CG2 . ILE B 1 20 ? -10.058 2.365 -57.756 1.00 51.42 ? 20 ILE B CG2 1 ATOM 4381 C CD1 . ILE B 1 20 ? -11.984 -0.085 -58.384 1.00 62.14 ? 20 ILE B CD1 1 ATOM 4382 N N . ARG B 1 21 ? -13.499 4.503 -58.625 1.00 53.54 ? 21 ARG B N 1 ATOM 4383 C CA . ARG B 1 21 ? -14.411 5.182 -57.706 1.00 54.22 ? 21 ARG B CA 1 ATOM 4384 C C . ARG B 1 21 ? -14.555 4.238 -56.518 1.00 59.65 ? 21 ARG B C 1 ATOM 4385 O O . ARG B 1 21 ? -14.987 3.094 -56.692 1.00 61.08 ? 21 ARG B O 1 ATOM 4386 C CB . ARG B 1 21 ? -15.775 5.429 -58.368 1.00 56.54 ? 21 ARG B CB 1 ATOM 4387 C CG . ARG B 1 21 ? -16.662 6.443 -57.632 1.00 67.23 ? 21 ARG B CG 1 ATOM 4388 C CD . ARG B 1 21 ? -18.010 6.605 -58.335 1.00 81.28 ? 21 ARG B CD 1 ATOM 4389 N NE . ARG B 1 21 ? -19.075 5.872 -57.646 1.00 97.10 ? 21 ARG B NE 1 ATOM 4390 C CZ . ARG B 1 21 ? -20.095 6.444 -57.010 1.00 120.25 ? 21 ARG B CZ 1 ATOM 4391 N NH1 . ARG B 1 21 ? -20.227 7.766 -57.003 1.00 109.16 ? 21 ARG B NH1 1 ATOM 4392 N NH2 . ARG B 1 21 ? -21.004 5.698 -56.396 1.00 112.21 ? 21 ARG B NH2 1 ATOM 4393 N N . LEU B 1 22 ? -14.092 4.671 -55.341 1.00 55.91 ? 22 LEU B N 1 ATOM 4394 C CA . LEU B 1 22 ? -14.194 3.858 -54.135 1.00 56.62 ? 22 LEU B CA 1 ATOM 4395 C C . LEU B 1 22 ? -15.253 4.415 -53.224 1.00 63.84 ? 22 LEU B C 1 ATOM 4396 O O . LEU B 1 22 ? -15.531 5.617 -53.255 1.00 63.54 ? 22 LEU B O 1 ATOM 4397 C CB . LEU B 1 22 ? -12.858 3.772 -53.382 1.00 54.94 ? 22 LEU B CB 1 ATOM 4398 C CG . LEU B 1 22 ? -11.705 3.056 -54.088 1.00 58.75 ? 22 LEU B CG 1 ATOM 4399 C CD1 . LEU B 1 22 ? -10.497 3.018 -53.190 1.00 58.08 ? 22 LEU B CD1 1 ATOM 4400 C CD2 . LEU B 1 22 ? -12.079 1.636 -54.511 1.00 62.24 ? 22 LEU B CD2 1 ATOM 4401 N N . LYS B 1 23 ? -15.829 3.540 -52.395 1.00 62.54 ? 23 LYS B N 1 ATOM 4402 C CA . LYS B 1 23 ? -16.838 3.945 -51.428 1.00 63.83 ? 23 LYS B CA 1 ATOM 4403 C C . LYS B 1 23 ? -16.198 4.157 -50.058 1.00 66.64 ? 23 LYS B C 1 ATOM 4404 O O . LYS B 1 23 ? -15.530 3.263 -49.537 1.00 65.89 ? 23 LYS B O 1 ATOM 4405 C CB . LYS B 1 23 ? -17.999 2.918 -51.386 1.00 68.34 ? 23 LYS B CB 1 ATOM 4406 C CG . LYS B 1 23 ? -19.154 3.243 -50.437 1.00 87.12 ? 23 LYS B CG 1 ATOM 4407 C CD . LYS B 1 23 ? -20.003 4.447 -50.874 1.00 97.20 ? 23 LYS B CD 1 ATOM 4408 C CE . LYS B 1 23 ? -20.920 4.904 -49.768 1.00 103.02 ? 23 LYS B CE 1 ATOM 4409 N NZ . LYS B 1 23 ? -21.418 6.281 -50.005 1.00 112.77 ? 23 LYS B NZ 1 ATOM 4410 N N . ALA B 1 24 ? -16.361 5.362 -49.506 1.00 62.19 ? 24 ALA B N 1 ATOM 4411 C CA . ALA B 1 24 ? -15.938 5.688 -48.157 1.00 60.70 ? 24 ALA B CA 1 ATOM 4412 C C . ALA B 1 24 ? -17.276 5.862 -47.400 1.00 65.52 ? 24 ALA B C 1 ATOM 4413 O O . ALA B 1 24 ? -18.296 6.015 -48.076 1.00 67.13 ? 24 ALA B O 1 ATOM 4414 C CB . ALA B 1 24 ? -15.123 6.971 -48.146 1.00 60.03 ? 24 ALA B CB 1 ATOM 4415 N N . PRO B 1 25 ? -17.348 5.783 -46.047 1.00 60.81 ? 25 PRO B N 1 ATOM 4416 C CA . PRO B 1 25 ? -18.662 5.867 -45.371 1.00 62.12 ? 25 PRO B CA 1 ATOM 4417 C C . PRO B 1 25 ? -19.542 7.078 -45.722 1.00 66.78 ? 25 PRO B C 1 ATOM 4418 O O . PRO B 1 25 ? -20.753 6.930 -45.837 1.00 67.82 ? 25 PRO B O 1 ATOM 4419 C CB . PRO B 1 25 ? -18.293 5.847 -43.881 1.00 63.13 ? 25 PRO B CB 1 ATOM 4420 C CG . PRO B 1 25 ? -17.011 5.131 -43.830 1.00 65.92 ? 25 PRO B CG 1 ATOM 4421 C CD . PRO B 1 25 ? -16.270 5.534 -45.069 1.00 60.49 ? 25 PRO B CD 1 ATOM 4422 N N . GLY B 1 26 ? -18.935 8.248 -45.889 1.00 62.81 ? 26 GLY B N 1 ATOM 4423 C CA . GLY B 1 26 ? -19.658 9.478 -46.199 1.00 63.43 ? 26 GLY B CA 1 ATOM 4424 C C . GLY B 1 26 ? -19.899 9.778 -47.666 1.00 67.17 ? 26 GLY B C 1 ATOM 4425 O O . GLY B 1 26 ? -20.585 10.749 -47.992 1.00 68.53 ? 26 GLY B O 1 ATOM 4426 N N . GLY B 1 27 ? -19.317 8.979 -48.552 1.00 62.40 ? 27 GLY B N 1 ATOM 4427 C CA . GLY B 1 27 ? -19.471 9.184 -49.986 1.00 62.59 ? 27 GLY B CA 1 ATOM 4428 C C . GLY B 1 27 ? -18.323 8.652 -50.817 1.00 64.37 ? 27 GLY B C 1 ATOM 4429 O O . GLY B 1 27 ? -17.401 8.028 -50.280 1.00 62.51 ? 27 GLY B O 1 ATOM 4430 N N . PRO B 1 28 ? -18.346 8.887 -52.146 1.00 61.40 ? 28 PRO B N 1 ATOM 4431 C CA . PRO B 1 28 ? -17.269 8.355 -52.994 1.00 58.88 ? 28 PRO B CA 1 ATOM 4432 C C . PRO B 1 28 ? -15.952 9.117 -52.912 1.00 60.00 ? 28 PRO B C 1 ATOM 4433 O O . PRO B 1 28 ? -15.920 10.278 -52.513 1.00 58.54 ? 28 PRO B O 1 ATOM 4434 C CB . PRO B 1 28 ? -17.862 8.429 -54.400 1.00 61.86 ? 28 PRO B CB 1 ATOM 4435 C CG . PRO B 1 28 ? -18.839 9.557 -54.340 1.00 67.72 ? 28 PRO B CG 1 ATOM 4436 C CD . PRO B 1 28 ? -19.382 9.579 -52.949 1.00 64.44 ? 28 PRO B CD 1 ATOM 4437 N N . VAL B 1 29 ? -14.859 8.436 -53.298 1.00 55.21 ? 29 VAL B N 1 ATOM 4438 C CA . VAL B 1 29 ? -13.502 8.974 -53.427 1.00 52.61 ? 29 VAL B CA 1 ATOM 4439 C C . VAL B 1 29 ? -12.903 8.429 -54.746 1.00 55.16 ? 29 VAL B C 1 ATOM 4440 O O . VAL B 1 29 ? -13.354 7.391 -55.248 1.00 55.01 ? 29 VAL B O 1 ATOM 4441 C CB . VAL B 1 29 ? -12.548 8.751 -52.205 1.00 54.71 ? 29 VAL B CB 1 ATOM 4442 C CG1 . VAL B 1 29 ? -13.125 9.318 -50.928 1.00 54.39 ? 29 VAL B CG1 1 ATOM 4443 C CG2 . VAL B 1 29 ? -12.162 7.287 -52.018 1.00 54.06 ? 29 VAL B CG2 1 ATOM 4444 N N . SER B 1 30 ? -11.912 9.134 -55.305 1.00 50.21 ? 30 SER B N 1 ATOM 4445 C CA . SER B 1 30 ? -11.194 8.681 -56.494 1.00 49.91 ? 30 SER B CA 1 ATOM 4446 C C . SER B 1 30 ? -9.871 8.083 -56.002 1.00 51.19 ? 30 SER B C 1 ATOM 4447 O O . SER B 1 30 ? -9.216 8.657 -55.136 1.00 51.14 ? 30 SER B O 1 ATOM 4448 C CB . SER B 1 30 ? -10.914 9.840 -57.447 1.00 53.86 ? 30 SER B CB 1 ATOM 4449 O OG . SER B 1 30 ? -12.107 10.491 -57.848 1.00 60.67 ? 30 SER B OG 1 ATOM 4450 N N . ALA B 1 31 ? -9.507 6.920 -56.511 1.00 47.01 ? 31 ALA B N 1 ATOM 4451 C CA . ALA B 1 31 ? -8.249 6.272 -56.139 1.00 45.43 ? 31 ALA B CA 1 ATOM 4452 C C . ALA B 1 31 ? -7.502 5.863 -57.402 1.00 48.73 ? 31 ALA B C 1 ATOM 4453 O O . ALA B 1 31 ? -8.107 5.337 -58.328 1.00 47.87 ? 31 ALA B O 1 ATOM 4454 C CB . ALA B 1 31 ? -8.511 5.063 -55.255 1.00 45.98 ? 31 ALA B CB 1 ATOM 4455 N N . PHE B 1 32 ? -6.217 6.201 -57.466 1.00 45.61 ? 32 PHE B N 1 ATOM 4456 C CA . PHE B 1 32 ? -5.326 5.905 -58.585 1.00 44.94 ? 32 PHE B CA 1 ATOM 4457 C C . PHE B 1 32 ? -4.232 5.085 -57.944 1.00 45.97 ? 32 PHE B C 1 ATOM 4458 O O . PHE B 1 32 ? -3.342 5.625 -57.296 1.00 42.92 ? 32 PHE B O 1 ATOM 4459 C CB . PHE B 1 32 ? -4.816 7.211 -59.233 1.00 47.07 ? 32 PHE B CB 1 ATOM 4460 C CG . PHE B 1 32 ? -5.936 8.052 -59.804 1.00 50.83 ? 32 PHE B CG 1 ATOM 4461 C CD1 . PHE B 1 32 ? -6.625 8.961 -59.005 1.00 54.55 ? 32 PHE B CD1 1 ATOM 4462 C CD2 . PHE B 1 32 ? -6.315 7.925 -61.135 1.00 54.35 ? 32 PHE B CD2 1 ATOM 4463 C CE1 . PHE B 1 32 ? -7.680 9.718 -59.533 1.00 57.29 ? 32 PHE B CE1 1 ATOM 4464 C CE2 . PHE B 1 32 ? -7.375 8.675 -61.654 1.00 58.81 ? 32 PHE B CE2 1 ATOM 4465 C CZ . PHE B 1 32 ? -8.055 9.557 -60.850 1.00 57.28 ? 32 PHE B CZ 1 ATOM 4466 N N . LEU B 1 33 ? -4.385 3.755 -58.026 1.00 43.05 ? 33 LEU B N 1 ATOM 4467 C CA . LEU B 1 33 ? -3.519 2.786 -57.361 1.00 41.41 ? 33 LEU B CA 1 ATOM 4468 C C . LEU B 1 33 ? -2.555 2.096 -58.296 1.00 45.93 ? 33 LEU B C 1 ATOM 4469 O O . LEU B 1 33 ? -2.920 1.766 -59.409 1.00 45.88 ? 33 LEU B O 1 ATOM 4470 C CB . LEU B 1 33 ? -4.382 1.737 -56.626 1.00 41.32 ? 33 LEU B CB 1 ATOM 4471 C CG . LEU B 1 33 ? -5.540 2.255 -55.751 1.00 44.19 ? 33 LEU B CG 1 ATOM 4472 C CD1 . LEU B 1 33 ? -6.346 1.103 -55.206 1.00 44.04 ? 33 LEU B CD1 1 ATOM 4473 C CD2 . LEU B 1 33 ? -5.028 3.141 -54.602 1.00 39.22 ? 33 LEU B CD2 1 ATOM 4474 N N . GLY B 1 34 ? -1.335 1.874 -57.831 1.00 42.62 ? 34 GLY B N 1 ATOM 4475 C CA . GLY B 1 34 ? -0.321 1.197 -58.632 1.00 42.13 ? 34 GLY B CA 1 ATOM 4476 C C . GLY B 1 34 ? 0.235 2.017 -59.780 1.00 44.63 ? 34 GLY B C 1 ATOM 4477 O O . GLY B 1 34 ? 0.490 1.463 -60.851 1.00 44.26 ? 34 GLY B O 1 ATOM 4478 N N . ILE B 1 35 ? 0.446 3.341 -59.569 1.00 39.49 ? 35 ILE B N 1 ATOM 4479 C CA . ILE B 1 35 ? 1.027 4.205 -60.601 1.00 38.91 ? 35 ILE B CA 1 ATOM 4480 C C . ILE B 1 35 ? 2.544 3.974 -60.604 1.00 40.91 ? 35 ILE B C 1 ATOM 4481 O O . ILE B 1 35 ? 3.190 4.218 -59.587 1.00 39.34 ? 35 ILE B O 1 ATOM 4482 C CB . ILE B 1 35 ? 0.712 5.722 -60.411 1.00 41.85 ? 35 ILE B CB 1 ATOM 4483 C CG1 . ILE B 1 35 ? -0.805 5.999 -60.308 1.00 41.65 ? 35 ILE B CG1 1 ATOM 4484 C CG2 . ILE B 1 35 ? 1.397 6.558 -61.539 1.00 41.93 ? 35 ILE B CG2 1 ATOM 4485 C CD1 . ILE B 1 35 ? -1.168 7.406 -59.783 1.00 42.22 ? 35 ILE B CD1 1 ATOM 4486 N N . PRO B 1 36 ? 3.151 3.555 -61.736 1.00 37.51 ? 36 PRO B N 1 ATOM 4487 C CA . PRO B 1 36 ? 4.615 3.382 -61.741 1.00 36.07 ? 36 PRO B CA 1 ATOM 4488 C C . PRO B 1 36 ? 5.339 4.729 -61.662 1.00 39.13 ? 36 PRO B C 1 ATOM 4489 O O . PRO B 1 36 ? 4.998 5.643 -62.410 1.00 38.49 ? 36 PRO B O 1 ATOM 4490 C CB . PRO B 1 36 ? 4.877 2.677 -63.084 1.00 38.29 ? 36 PRO B CB 1 ATOM 4491 C CG . PRO B 1 36 ? 3.738 3.084 -63.959 1.00 42.06 ? 36 PRO B CG 1 ATOM 4492 C CD . PRO B 1 36 ? 2.555 3.256 -63.063 1.00 37.86 ? 36 PRO B CD 1 ATOM 4493 N N . PHE B 1 37 ? 6.308 4.873 -60.743 1.00 35.42 ? 37 PHE B N 1 ATOM 4494 C CA . PHE B 1 37 ? 7.066 6.126 -60.659 1.00 35.18 ? 37 PHE B CA 1 ATOM 4495 C C . PHE B 1 37 ? 8.540 5.923 -61.050 1.00 40.40 ? 37 PHE B C 1 ATOM 4496 O O . PHE B 1 37 ? 9.295 6.886 -61.168 1.00 40.66 ? 37 PHE B O 1 ATOM 4497 C CB . PHE B 1 37 ? 6.920 6.805 -59.271 1.00 34.51 ? 37 PHE B CB 1 ATOM 4498 C CG . PHE B 1 37 ? 7.513 6.058 -58.102 1.00 34.39 ? 37 PHE B CG 1 ATOM 4499 C CD1 . PHE B 1 37 ? 8.850 6.224 -57.751 1.00 34.66 ? 37 PHE B CD1 1 ATOM 4500 C CD2 . PHE B 1 37 ? 6.715 5.252 -57.297 1.00 34.84 ? 37 PHE B CD2 1 ATOM 4501 C CE1 . PHE B 1 37 ? 9.395 5.537 -56.665 1.00 34.05 ? 37 PHE B CE1 1 ATOM 4502 C CE2 . PHE B 1 37 ? 7.252 4.589 -56.191 1.00 34.96 ? 37 PHE B CE2 1 ATOM 4503 C CZ . PHE B 1 37 ? 8.585 4.744 -55.876 1.00 32.83 ? 37 PHE B CZ 1 ATOM 4504 N N . ALA B 1 38 ? 8.943 4.669 -61.239 1.00 36.16 ? 38 ALA B N 1 ATOM 4505 C CA . ALA B 1 38 ? 10.317 4.354 -61.603 1.00 35.73 ? 38 ALA B CA 1 ATOM 4506 C C . ALA B 1 38 ? 10.367 3.183 -62.557 1.00 40.14 ? 38 ALA B C 1 ATOM 4507 O O . ALA B 1 38 ? 9.410 2.407 -62.643 1.00 39.25 ? 38 ALA B O 1 ATOM 4508 C CB . ALA B 1 38 ? 11.108 4.005 -60.345 1.00 35.18 ? 38 ALA B CB 1 ATOM 4509 N N . GLU B 1 39 ? 11.511 3.021 -63.219 1.00 36.65 ? 39 GLU B N 1 ATOM 4510 C CA . GLU B 1 39 ? 11.793 1.839 -64.019 1.00 37.82 ? 39 GLU B CA 1 ATOM 4511 C C . GLU B 1 39 ? 11.926 0.658 -63.013 1.00 43.90 ? 39 GLU B C 1 ATOM 4512 O O . GLU B 1 39 ? 12.571 0.840 -61.980 1.00 44.10 ? 39 GLU B O 1 ATOM 4513 C CB . GLU B 1 39 ? 13.124 2.005 -64.781 1.00 38.89 ? 39 GLU B CB 1 ATOM 4514 C CG . GLU B 1 39 ? 13.003 2.866 -66.025 1.00 40.37 ? 39 GLU B CG 1 ATOM 4515 C CD . GLU B 1 39 ? 12.064 2.266 -67.036 1.00 53.80 ? 39 GLU B CD 1 ATOM 4516 O OE1 . GLU B 1 39 ? 12.481 1.304 -67.724 1.00 55.26 ? 39 GLU B OE1 1 ATOM 4517 O OE2 . GLU B 1 39 ? 10.902 2.721 -67.098 1.00 40.41 ? 39 GLU B OE2 1 ATOM 4518 N N . PRO B 1 40 ? 11.323 -0.535 -63.280 1.00 40.43 ? 40 PRO B N 1 ATOM 4519 C CA . PRO B 1 40 ? 11.478 -1.668 -62.336 1.00 38.61 ? 40 PRO B CA 1 ATOM 4520 C C . PRO B 1 40 ? 12.943 -1.903 -61.944 1.00 43.48 ? 40 PRO B C 1 ATOM 4521 O O . PRO B 1 40 ? 13.804 -2.042 -62.811 1.00 44.22 ? 40 PRO B O 1 ATOM 4522 C CB . PRO B 1 40 ? 10.859 -2.838 -63.083 1.00 40.79 ? 40 PRO B CB 1 ATOM 4523 C CG . PRO B 1 40 ? 9.813 -2.159 -63.999 1.00 44.02 ? 40 PRO B CG 1 ATOM 4524 C CD . PRO B 1 40 ? 10.502 -0.916 -64.457 1.00 39.44 ? 40 PRO B CD 1 ATOM 4525 N N . PRO B 1 41 ? 13.269 -1.850 -60.630 1.00 37.40 ? 41 PRO B N 1 ATOM 4526 C CA . PRO B 1 41 ? 14.695 -1.949 -60.218 1.00 37.48 ? 41 PRO B CA 1 ATOM 4527 C C . PRO B 1 41 ? 15.176 -3.395 -60.162 1.00 43.72 ? 41 PRO B C 1 ATOM 4528 O O . PRO B 1 41 ? 15.656 -3.867 -59.129 1.00 43.75 ? 41 PRO B O 1 ATOM 4529 C CB . PRO B 1 41 ? 14.694 -1.269 -58.842 1.00 37.69 ? 41 PRO B CB 1 ATOM 4530 C CG . PRO B 1 41 ? 13.313 -1.638 -58.278 1.00 40.99 ? 41 PRO B CG 1 ATOM 4531 C CD . PRO B 1 41 ? 12.373 -1.632 -59.476 1.00 37.17 ? 41 PRO B CD 1 ATOM 4532 N N . VAL B 1 42 ? 15.039 -4.096 -61.297 1.00 41.62 ? 42 VAL B N 1 ATOM 4533 C CA . VAL B 1 42 ? 15.319 -5.521 -61.441 1.00 42.26 ? 42 VAL B CA 1 ATOM 4534 C C . VAL B 1 42 ? 16.592 -5.798 -62.261 1.00 45.72 ? 42 VAL B C 1 ATOM 4535 O O . VAL B 1 42 ? 17.051 -4.938 -63.009 1.00 44.99 ? 42 VAL B O 1 ATOM 4536 C CB . VAL B 1 42 ? 14.072 -6.252 -62.039 1.00 45.17 ? 42 VAL B CB 1 ATOM 4537 C CG1 . VAL B 1 42 ? 12.825 -6.016 -61.177 1.00 43.24 ? 42 VAL B CG1 1 ATOM 4538 C CG2 . VAL B 1 42 ? 13.822 -5.850 -63.504 1.00 44.81 ? 42 VAL B CG2 1 ATOM 4539 N N . GLY B 1 43 ? 17.110 -7.009 -62.143 1.00 45.22 ? 43 GLY B N 1 ATOM 4540 C CA . GLY B 1 43 ? 18.298 -7.445 -62.880 1.00 46.82 ? 43 GLY B CA 1 ATOM 4541 C C . GLY B 1 43 ? 19.528 -6.632 -62.525 1.00 51.71 ? 43 GLY B C 1 ATOM 4542 O O . GLY B 1 43 ? 19.935 -6.598 -61.358 1.00 49.95 ? 43 GLY B O 1 ATOM 4543 N N . SER B 1 44 ? 20.083 -5.911 -63.517 1.00 48.62 ? 44 SER B N 1 ATOM 4544 C CA . SER B 1 44 ? 21.277 -5.068 -63.350 1.00 48.97 ? 44 SER B CA 1 ATOM 4545 C C . SER B 1 44 ? 21.009 -3.852 -62.476 1.00 50.69 ? 44 SER B C 1 ATOM 4546 O O . SER B 1 44 ? 21.956 -3.273 -61.937 1.00 51.98 ? 44 SER B O 1 ATOM 4547 C CB . SER B 1 44 ? 21.818 -4.624 -64.715 1.00 54.41 ? 44 SER B CB 1 ATOM 4548 O OG . SER B 1 44 ? 20.985 -3.625 -65.291 1.00 60.80 ? 44 SER B OG 1 ATOM 4549 N N . ARG B 1 45 ? 19.724 -3.455 -62.343 1.00 44.74 ? 45 ARG B N 1 ATOM 4550 C CA . ARG B 1 45 ? 19.288 -2.305 -61.551 1.00 43.39 ? 45 ARG B CA 1 ATOM 4551 C C . ARG B 1 45 ? 19.121 -2.636 -60.064 1.00 46.84 ? 45 ARG B C 1 ATOM 4552 O O . ARG B 1 45 ? 18.838 -1.724 -59.296 1.00 46.73 ? 45 ARG B O 1 ATOM 4553 C CB . ARG B 1 45 ? 17.998 -1.674 -62.110 1.00 39.75 ? 45 ARG B CB 1 ATOM 4554 C CG . ARG B 1 45 ? 18.055 -1.204 -63.580 1.00 46.51 ? 45 ARG B CG 1 ATOM 4555 C CD . ARG B 1 45 ? 16.623 -0.813 -63.977 1.00 62.11 ? 45 ARG B CD 1 ATOM 4556 N NE . ARG B 1 45 ? 16.428 -0.552 -65.409 1.00 70.59 ? 45 ARG B NE 1 ATOM 4557 C CZ . ARG B 1 45 ? 15.358 -0.932 -66.110 1.00 82.77 ? 45 ARG B CZ 1 ATOM 4558 N NH1 . ARG B 1 45 ? 14.376 -1.617 -65.524 1.00 48.48 ? 45 ARG B NH1 1 ATOM 4559 N NH2 . ARG B 1 45 ? 15.266 -0.642 -67.404 1.00 78.65 ? 45 ARG B NH2 1 ATOM 4560 N N . ARG B 1 46 ? 19.274 -3.918 -59.647 1.00 43.74 ? 46 ARG B N 1 ATOM 4561 C CA . ARG B 1 46 ? 19.200 -4.270 -58.217 1.00 43.25 ? 46 ARG B CA 1 ATOM 4562 C C . ARG B 1 46 ? 20.365 -3.555 -57.497 1.00 45.54 ? 46 ARG B C 1 ATOM 4563 O O . ARG B 1 46 ? 21.484 -3.551 -58.015 1.00 46.60 ? 46 ARG B O 1 ATOM 4564 C CB . ARG B 1 46 ? 19.277 -5.793 -58.006 1.00 44.30 ? 46 ARG B CB 1 ATOM 4565 C CG . ARG B 1 46 ? 19.143 -6.199 -56.526 1.00 45.01 ? 46 ARG B CG 1 ATOM 4566 C CD . ARG B 1 46 ? 19.510 -7.643 -56.322 1.00 44.05 ? 46 ARG B CD 1 ATOM 4567 N NE . ARG B 1 46 ? 18.406 -8.551 -56.612 1.00 42.34 ? 46 ARG B NE 1 ATOM 4568 C CZ . ARG B 1 46 ? 18.505 -9.873 -56.556 1.00 52.32 ? 46 ARG B CZ 1 ATOM 4569 N NH1 . ARG B 1 46 ? 19.661 -10.444 -56.251 1.00 40.53 ? 46 ARG B NH1 1 ATOM 4570 N NH2 . ARG B 1 46 ? 17.452 -10.634 -56.801 1.00 37.10 ? 46 ARG B NH2 1 ATOM 4571 N N . PHE B 1 47 ? 20.069 -2.885 -56.361 1.00 41.92 ? 47 PHE B N 1 ATOM 4572 C CA . PHE B 1 47 ? 20.965 -2.094 -55.476 1.00 39.95 ? 47 PHE B CA 1 ATOM 4573 C C . PHE B 1 47 ? 21.310 -0.715 -56.049 1.00 42.85 ? 47 PHE B C 1 ATOM 4574 O O . PHE B 1 47 ? 22.021 0.053 -55.406 1.00 42.39 ? 47 PHE B O 1 ATOM 4575 C CB . PHE B 1 47 ? 22.269 -2.849 -55.112 1.00 41.88 ? 47 PHE B CB 1 ATOM 4576 C CG . PHE B 1 47 ? 22.131 -4.297 -54.704 1.00 42.96 ? 47 PHE B CG 1 ATOM 4577 C CD1 . PHE B 1 47 ? 21.347 -4.659 -53.612 1.00 44.08 ? 47 PHE B CD1 1 ATOM 4578 C CD2 . PHE B 1 47 ? 22.822 -5.300 -55.386 1.00 44.10 ? 47 PHE B CD2 1 ATOM 4579 C CE1 . PHE B 1 47 ? 21.251 -5.999 -53.210 1.00 45.34 ? 47 PHE B CE1 1 ATOM 4580 C CE2 . PHE B 1 47 ? 22.713 -6.637 -54.995 1.00 46.69 ? 47 PHE B CE2 1 ATOM 4581 C CZ . PHE B 1 47 ? 21.944 -6.977 -53.898 1.00 44.73 ? 47 PHE B CZ 1 ATOM 4582 N N . MET B 1 48 ? 20.815 -0.413 -57.260 1.00 39.70 ? 48 MET B N 1 ATOM 4583 C CA A MET B 1 48 ? 21.083 0.835 -57.976 0.50 38.77 ? 48 MET B CA 1 ATOM 4584 C CA B MET B 1 48 ? 21.117 0.844 -57.925 0.50 39.19 ? 48 MET B CA 1 ATOM 4585 C C . MET B 1 48 ? 20.035 1.900 -57.673 1.00 41.78 ? 48 MET B C 1 ATOM 4586 O O . MET B 1 48 ? 18.870 1.541 -57.447 1.00 39.13 ? 48 MET B O 1 ATOM 4587 C CB A MET B 1 48 ? 21.079 0.590 -59.499 0.50 41.35 ? 48 MET B CB 1 ATOM 4588 C CB B MET B 1 48 ? 21.359 0.611 -59.432 0.50 42.26 ? 48 MET B CB 1 ATOM 4589 C CG A MET B 1 48 ? 22.158 -0.334 -59.995 0.50 45.81 ? 48 MET B CG 1 ATOM 4590 C CG B MET B 1 48 ? 22.492 -0.379 -59.719 0.50 47.09 ? 48 MET B CG 1 ATOM 4591 S SD A MET B 1 48 ? 22.494 -0.027 -61.748 0.50 50.83 ? 48 MET B SD 1 ATOM 4592 S SD B MET B 1 48 ? 23.525 -0.038 -61.177 0.50 52.91 ? 48 MET B SD 1 ATOM 4593 C CE A MET B 1 48 ? 23.715 1.284 -61.587 0.50 48.43 ? 48 MET B CE 1 ATOM 4594 C CE B MET B 1 48 ? 22.303 -0.059 -62.452 0.50 49.02 ? 48 MET B CE 1 ATOM 4595 N N . PRO B 1 49 ? 20.395 3.226 -57.751 1.00 40.87 ? 49 PRO B N 1 ATOM 4596 C CA . PRO B 1 49 ? 19.373 4.279 -57.574 1.00 39.90 ? 49 PRO B CA 1 ATOM 4597 C C . PRO B 1 49 ? 18.216 4.104 -58.567 1.00 41.62 ? 49 PRO B C 1 ATOM 4598 O O . PRO B 1 49 ? 18.398 3.522 -59.640 1.00 39.62 ? 49 PRO B O 1 ATOM 4599 C CB . PRO B 1 49 ? 20.155 5.571 -57.871 1.00 42.28 ? 49 PRO B CB 1 ATOM 4600 C CG . PRO B 1 49 ? 21.578 5.233 -57.468 1.00 46.85 ? 49 PRO B CG 1 ATOM 4601 C CD . PRO B 1 49 ? 21.724 3.838 -58.011 1.00 42.94 ? 49 PRO B CD 1 ATOM 4602 N N . PRO B 1 50 ? 16.982 4.547 -58.218 1.00 36.71 ? 50 PRO B N 1 ATOM 4603 C CA . PRO B 1 50 ? 15.864 4.370 -59.161 1.00 34.51 ? 50 PRO B CA 1 ATOM 4604 C C . PRO B 1 50 ? 16.005 5.309 -60.364 1.00 40.17 ? 50 PRO B C 1 ATOM 4605 O O . PRO B 1 50 ? 16.566 6.396 -60.248 1.00 39.97 ? 50 PRO B O 1 ATOM 4606 C CB . PRO B 1 50 ? 14.642 4.752 -58.312 1.00 34.97 ? 50 PRO B CB 1 ATOM 4607 C CG . PRO B 1 50 ? 15.184 5.793 -57.363 1.00 38.83 ? 50 PRO B CG 1 ATOM 4608 C CD . PRO B 1 50 ? 16.549 5.254 -56.994 1.00 35.37 ? 50 PRO B CD 1 ATOM 4609 N N . GLU B 1 51 ? 15.517 4.880 -61.520 1.00 38.08 ? 51 GLU B N 1 ATOM 4610 C CA . GLU B 1 51 ? 15.496 5.729 -62.700 1.00 39.19 ? 51 GLU B CA 1 ATOM 4611 C C . GLU B 1 51 ? 14.031 6.107 -62.948 1.00 42.30 ? 51 GLU B C 1 ATOM 4612 O O . GLU B 1 51 ? 13.163 5.286 -62.674 1.00 40.85 ? 51 GLU B O 1 ATOM 4613 C CB A GLU B 1 51 ? 15.992 4.951 -63.936 0.50 41.46 ? 51 GLU B CB 1 ATOM 4614 C CB B GLU B 1 51 ? 16.223 5.090 -63.895 0.50 41.52 ? 51 GLU B CB 1 ATOM 4615 C CG A GLU B 1 51 ? 17.438 4.502 -63.887 0.50 53.67 ? 51 GLU B CG 1 ATOM 4616 C CG B GLU B 1 51 ? 17.743 5.120 -63.725 0.50 51.02 ? 51 GLU B CG 1 ATOM 4617 C CD A GLU B 1 51 ? 17.748 3.534 -65.009 0.50 73.98 ? 51 GLU B CD 1 ATOM 4618 C CD B GLU B 1 51 ? 18.406 6.471 -63.492 0.50 70.04 ? 51 GLU B CD 1 ATOM 4619 O OE1 A GLU B 1 51 ? 17.576 2.312 -64.803 0.50 59.16 ? 51 GLU B OE1 1 ATOM 4620 O OE1 B GLU B 1 51 ? 18.044 7.451 -64.185 0.50 66.51 ? 51 GLU B OE1 1 ATOM 4621 O OE2 A GLU B 1 51 ? 18.078 4.004 -66.121 0.50 76.17 ? 51 GLU B OE2 1 ATOM 4622 O OE2 B GLU B 1 51 ? 19.312 6.540 -62.631 0.50 66.27 ? 51 GLU B OE2 1 ATOM 4623 N N . PRO B 1 52 ? 13.712 7.325 -63.421 1.00 41.57 ? 52 PRO B N 1 ATOM 4624 C CA . PRO B 1 52 ? 12.289 7.674 -63.650 1.00 41.69 ? 52 PRO B CA 1 ATOM 4625 C C . PRO B 1 52 ? 11.596 6.776 -64.666 1.00 44.95 ? 52 PRO B C 1 ATOM 4626 O O . PRO B 1 52 ? 12.203 6.356 -65.659 1.00 44.77 ? 52 PRO B O 1 ATOM 4627 C CB . PRO B 1 52 ? 12.345 9.120 -64.150 1.00 44.63 ? 52 PRO B CB 1 ATOM 4628 C CG . PRO B 1 52 ? 13.703 9.627 -63.715 1.00 50.12 ? 52 PRO B CG 1 ATOM 4629 C CD . PRO B 1 52 ? 14.609 8.438 -63.801 1.00 45.04 ? 52 PRO B CD 1 ATOM 4630 N N . LYS B 1 53 ? 10.331 6.452 -64.403 1.00 40.57 ? 53 LYS B N 1 ATOM 4631 C CA . LYS B 1 53 ? 9.549 5.591 -65.281 1.00 40.04 ? 53 LYS B CA 1 ATOM 4632 C C . LYS B 1 53 ? 9.442 6.192 -66.693 1.00 46.91 ? 53 LYS B C 1 ATOM 4633 O O . LYS B 1 53 ? 9.157 7.381 -66.841 1.00 48.76 ? 53 LYS B O 1 ATOM 4634 C CB . LYS B 1 53 ? 8.166 5.345 -64.655 1.00 41.21 ? 53 LYS B CB 1 ATOM 4635 C CG . LYS B 1 53 ? 7.156 4.616 -65.546 1.00 40.65 ? 53 LYS B CG 1 ATOM 4636 C CD . LYS B 1 53 ? 7.474 3.114 -65.679 1.00 39.69 ? 53 LYS B CD 1 ATOM 4637 C CE . LYS B 1 53 ? 6.421 2.429 -66.549 1.00 40.07 ? 53 LYS B CE 1 ATOM 4638 N NZ . LYS B 1 53 ? 6.706 2.587 -67.996 1.00 46.24 ? 53 LYS B NZ 1 ATOM 4639 N N . ARG B 1 54 ? 9.715 5.395 -67.732 1.00 43.79 ? 54 ARG B N 1 ATOM 4640 C CA . ARG B 1 54 ? 9.607 5.906 -69.100 1.00 44.16 ? 54 ARG B CA 1 ATOM 4641 C C . ARG B 1 54 ? 8.103 6.097 -69.449 1.00 48.05 ? 54 ARG B C 1 ATOM 4642 O O . ARG B 1 54 ? 7.287 5.309 -68.966 1.00 43.64 ? 54 ARG B O 1 ATOM 4643 C CB . ARG B 1 54 ? 10.203 4.911 -70.103 1.00 43.91 ? 54 ARG B CB 1 ATOM 4644 C CG . ARG B 1 54 ? 11.680 4.595 -70.011 1.00 44.05 ? 54 ARG B CG 1 ATOM 4645 C CD . ARG B 1 54 ? 12.026 3.433 -70.997 1.00 45.27 ? 54 ARG B CD 1 ATOM 4646 N NE . ARG B 1 54 ? 11.405 2.165 -70.578 1.00 43.21 ? 54 ARG B NE 1 ATOM 4647 C CZ . ARG B 1 54 ? 10.603 1.382 -71.313 1.00 58.06 ? 54 ARG B CZ 1 ATOM 4648 N NH1 . ARG B 1 54 ? 10.023 0.318 -70.768 1.00 42.80 ? 54 ARG B NH1 1 ATOM 4649 N NH2 . ARG B 1 54 ? 10.383 1.655 -72.593 1.00 43.54 ? 54 ARG B NH2 1 ATOM 4650 N N . PRO B 1 55 ? 7.718 7.085 -70.303 1.00 50.52 ? 55 PRO B N 1 ATOM 4651 C CA . PRO B 1 55 ? 6.291 7.223 -70.699 1.00 51.29 ? 55 PRO B CA 1 ATOM 4652 C C . PRO B 1 55 ? 5.689 5.960 -71.327 1.00 51.32 ? 55 PRO B C 1 ATOM 4653 O O . PRO B 1 55 ? 6.398 5.185 -71.951 1.00 51.28 ? 55 PRO B O 1 ATOM 4654 C CB . PRO B 1 55 ? 6.310 8.353 -71.746 1.00 54.75 ? 55 PRO B CB 1 ATOM 4655 C CG . PRO B 1 55 ? 7.527 9.156 -71.391 1.00 60.44 ? 55 PRO B CG 1 ATOM 4656 C CD . PRO B 1 55 ? 8.550 8.116 -70.965 1.00 54.75 ? 55 PRO B CD 1 ATOM 4657 N N . TRP B 1 56 ? 4.377 5.769 -71.162 1.00 45.36 ? 56 TRP B N 1 ATOM 4658 C CA . TRP B 1 56 ? 3.646 4.618 -71.667 1.00 44.94 ? 56 TRP B CA 1 ATOM 4659 C C . TRP B 1 56 ? 2.557 5.048 -72.659 1.00 52.11 ? 56 TRP B C 1 ATOM 4660 O O . TRP B 1 56 ? 2.130 6.216 -72.661 1.00 53.36 ? 56 TRP B O 1 ATOM 4661 C CB . TRP B 1 56 ? 3.036 3.810 -70.507 1.00 42.68 ? 56 TRP B CB 1 ATOM 4662 C CG . TRP B 1 56 ? 2.080 4.599 -69.669 1.00 42.82 ? 56 TRP B CG 1 ATOM 4663 C CD1 . TRP B 1 56 ? 0.767 4.847 -69.944 1.00 46.20 ? 56 TRP B CD1 1 ATOM 4664 C CD2 . TRP B 1 56 ? 2.381 5.310 -68.458 1.00 41.66 ? 56 TRP B CD2 1 ATOM 4665 N NE1 . TRP B 1 56 ? 0.234 5.681 -68.992 1.00 45.38 ? 56 TRP B NE1 1 ATOM 4666 C CE2 . TRP B 1 56 ? 1.192 5.947 -68.045 1.00 45.88 ? 56 TRP B CE2 1 ATOM 4667 C CE3 . TRP B 1 56 ? 3.536 5.436 -67.655 1.00 42.08 ? 56 TRP B CE3 1 ATOM 4668 C CZ2 . TRP B 1 56 ? 1.126 6.719 -66.888 1.00 44.83 ? 56 TRP B CZ2 1 ATOM 4669 C CZ3 . TRP B 1 56 ? 3.472 6.213 -66.508 1.00 43.05 ? 56 TRP B CZ3 1 ATOM 4670 C CH2 . TRP B 1 56 ? 2.280 6.849 -66.139 1.00 44.02 ? 56 TRP B CH2 1 ATOM 4671 N N . SER B 1 57 ? 2.095 4.102 -73.486 1.00 46.78 ? 57 SER B N 1 ATOM 4672 C CA . SER B 1 57 ? 1.037 4.339 -74.460 1.00 47.72 ? 57 SER B CA 1 ATOM 4673 C C . SER B 1 57 ? -0.321 3.971 -73.857 1.00 51.74 ? 57 SER B C 1 ATOM 4674 O O . SER B 1 57 ? -0.357 3.163 -72.937 1.00 49.83 ? 57 SER B O 1 ATOM 4675 C CB . SER B 1 57 ? 1.274 3.484 -75.705 1.00 50.78 ? 57 SER B CB 1 ATOM 4676 O OG . SER B 1 57 ? 0.997 2.118 -75.425 1.00 54.05 ? 57 SER B OG 1 ATOM 4677 N N . GLY B 1 58 ? -1.411 4.447 -74.466 1.00 50.37 ? 58 GLY B N 1 ATOM 4678 C CA . GLY B 1 58 ? -2.774 4.142 -74.046 1.00 50.51 ? 58 GLY B CA 1 ATOM 4679 C C . GLY B 1 58 ? -3.136 4.635 -72.657 1.00 52.23 ? 58 GLY B C 1 ATOM 4680 O O . GLY B 1 58 ? -2.555 5.610 -72.155 1.00 50.82 ? 58 GLY B O 1 ATOM 4681 N N . VAL B 1 59 ? -4.105 3.949 -72.019 1.00 48.65 ? 59 VAL B N 1 ATOM 4682 C CA . VAL B 1 59 ? -4.579 4.277 -70.675 1.00 47.61 ? 59 VAL B CA 1 ATOM 4683 C C . VAL B 1 59 ? -4.069 3.186 -69.736 1.00 53.13 ? 59 VAL B C 1 ATOM 4684 O O . VAL B 1 59 ? -4.440 2.016 -69.903 1.00 53.20 ? 59 VAL B O 1 ATOM 4685 C CB . VAL B 1 59 ? -6.134 4.408 -70.630 1.00 51.39 ? 59 VAL B CB 1 ATOM 4686 C CG1 . VAL B 1 59 ? -6.601 4.910 -69.260 1.00 49.90 ? 59 VAL B CG1 1 ATOM 4687 C CG2 . VAL B 1 59 ? -6.661 5.305 -71.757 1.00 51.84 ? 59 VAL B CG2 1 ATOM 4688 N N . LEU B 1 60 ? -3.185 3.564 -68.785 1.00 51.06 ? 60 LEU B N 1 ATOM 4689 C CA . LEU B 1 60 ? -2.638 2.654 -67.787 1.00 49.89 ? 60 LEU B CA 1 ATOM 4690 C C . LEU B 1 60 ? -3.716 2.436 -66.739 1.00 52.31 ? 60 LEU B C 1 ATOM 4691 O O . LEU B 1 60 ? -4.302 3.397 -66.212 1.00 51.79 ? 60 LEU B O 1 ATOM 4692 C CB . LEU B 1 60 ? -1.350 3.215 -67.140 1.00 49.85 ? 60 LEU B CB 1 ATOM 4693 C CG . LEU B 1 60 ? -0.618 2.287 -66.130 1.00 54.40 ? 60 LEU B CG 1 ATOM 4694 C CD1 . LEU B 1 60 ? 0.844 2.310 -66.338 1.00 55.11 ? 60 LEU B CD1 1 ATOM 4695 C CD2 . LEU B 1 60 ? -0.845 2.725 -64.715 1.00 59.24 ? 60 LEU B CD2 1 ATOM 4696 N N . ASP B 1 61 ? -3.987 1.168 -66.447 1.00 49.15 ? 61 ASP B N 1 ATOM 4697 C CA . ASP B 1 61 ? -4.956 0.825 -65.422 1.00 49.93 ? 61 ASP B CA 1 ATOM 4698 C C . ASP B 1 61 ? -4.355 1.048 -64.017 1.00 50.14 ? 61 ASP B C 1 ATOM 4699 O O . ASP B 1 61 ? -3.413 0.353 -63.626 1.00 47.76 ? 61 ASP B O 1 ATOM 4700 C CB . ASP B 1 61 ? -5.406 -0.619 -65.598 1.00 53.95 ? 61 ASP B CB 1 ATOM 4701 C CG . ASP B 1 61 ? -6.621 -0.908 -64.767 1.00 71.63 ? 61 ASP B CG 1 ATOM 4702 O OD1 . ASP B 1 61 ? -7.759 -0.607 -65.240 1.00 77.43 ? 61 ASP B OD1 1 ATOM 4703 O OD2 . ASP B 1 61 ? -6.451 -1.396 -63.651 1.00 71.97 ? 61 ASP B OD2 1 ATOM 4704 N N . ALA B 1 62 ? -4.891 2.042 -63.282 1.00 45.60 ? 62 ALA B N 1 ATOM 4705 C CA . ALA B 1 62 ? -4.480 2.387 -61.917 1.00 43.84 ? 62 ALA B CA 1 ATOM 4706 C C . ALA B 1 62 ? -5.663 2.125 -60.970 1.00 48.48 ? 62 ALA B C 1 ATOM 4707 O O . ALA B 1 62 ? -6.068 2.993 -60.195 1.00 46.88 ? 62 ALA B O 1 ATOM 4708 C CB . ALA B 1 62 ? -4.031 3.847 -61.864 1.00 43.78 ? 62 ALA B CB 1 ATOM 4709 N N . THR B 1 63 ? -6.252 0.920 -61.071 1.00 47.40 ? 63 THR B N 1 ATOM 4710 C CA . THR B 1 63 ? -7.438 0.557 -60.279 1.00 47.80 ? 63 THR B CA 1 ATOM 4711 C C . THR B 1 63 ? -7.150 -0.432 -59.131 1.00 50.55 ? 63 THR B C 1 ATOM 4712 O O . THR B 1 63 ? -8.062 -0.717 -58.347 1.00 50.50 ? 63 THR B O 1 ATOM 4713 C CB . THR B 1 63 ? -8.590 0.031 -61.173 1.00 51.60 ? 63 THR B CB 1 ATOM 4714 O OG1 . THR B 1 63 ? -8.264 -1.273 -61.663 1.00 51.09 ? 63 THR B OG1 1 ATOM 4715 C CG2 . THR B 1 63 ? -8.974 0.989 -62.324 1.00 50.30 ? 63 THR B CG2 1 ATOM 4716 N N . THR B 1 64 ? -5.914 -0.997 -59.064 1.00 44.91 ? 64 THR B N 1 ATOM 4717 C CA . THR B 1 64 ? -5.547 -1.988 -58.039 1.00 44.02 ? 64 THR B CA 1 ATOM 4718 C C . THR B 1 64 ? -4.163 -1.718 -57.481 1.00 44.56 ? 64 THR B C 1 ATOM 4719 O O . THR B 1 64 ? -3.315 -1.170 -58.181 1.00 43.41 ? 64 THR B O 1 ATOM 4720 C CB . THR B 1 64 ? -5.554 -3.418 -58.635 1.00 55.26 ? 64 THR B CB 1 ATOM 4721 O OG1 . THR B 1 64 ? -4.590 -3.483 -59.682 1.00 57.75 ? 64 THR B OG1 1 ATOM 4722 C CG2 . THR B 1 64 ? -6.923 -3.862 -59.176 1.00 58.52 ? 64 THR B CG2 1 ATOM 4723 N N . PHE B 1 65 ? -3.907 -2.151 -56.245 1.00 41.73 ? 65 PHE B N 1 ATOM 4724 C CA . PHE B 1 65 ? -2.583 -2.013 -55.650 1.00 39.91 ? 65 PHE B CA 1 ATOM 4725 C C . PHE B 1 65 ? -1.610 -2.899 -56.406 1.00 45.25 ? 65 PHE B C 1 ATOM 4726 O O . PHE B 1 65 ? -1.962 -3.995 -56.830 1.00 45.85 ? 65 PHE B O 1 ATOM 4727 C CB . PHE B 1 65 ? -2.581 -2.435 -54.186 1.00 40.66 ? 65 PHE B CB 1 ATOM 4728 C CG . PHE B 1 65 ? -3.215 -1.427 -53.256 1.00 41.63 ? 65 PHE B CG 1 ATOM 4729 C CD1 . PHE B 1 65 ? -2.669 -0.160 -53.105 1.00 41.27 ? 65 PHE B CD1 1 ATOM 4730 C CD2 . PHE B 1 65 ? -4.334 -1.765 -52.495 1.00 42.61 ? 65 PHE B CD2 1 ATOM 4731 C CE1 . PHE B 1 65 ? -3.251 0.763 -52.235 1.00 41.75 ? 65 PHE B CE1 1 ATOM 4732 C CE2 . PHE B 1 65 ? -4.902 -0.846 -51.610 1.00 44.04 ? 65 PHE B CE2 1 ATOM 4733 C CZ . PHE B 1 65 ? -4.363 0.413 -51.498 1.00 41.03 ? 65 PHE B CZ 1 ATOM 4734 N N . GLN B 1 66 ? -0.387 -2.424 -56.548 1.00 41.91 ? 66 GLN B N 1 ATOM 4735 C CA . GLN B 1 66 ? 0.657 -3.176 -57.206 1.00 41.08 ? 66 GLN B CA 1 ATOM 4736 C C . GLN B 1 66 ? 1.425 -4.068 -56.202 1.00 44.34 ? 66 GLN B C 1 ATOM 4737 O O . GLN B 1 66 ? 1.082 -4.118 -55.015 1.00 42.34 ? 66 GLN B O 1 ATOM 4738 C CB . GLN B 1 66 ? 1.576 -2.221 -57.967 1.00 40.91 ? 66 GLN B CB 1 ATOM 4739 C CG . GLN B 1 66 ? 1.194 -2.108 -59.426 1.00 42.18 ? 66 GLN B CG 1 ATOM 4740 C CD . GLN B 1 66 ? 1.680 -3.297 -60.225 1.00 52.84 ? 66 GLN B CD 1 ATOM 4741 O OE1 . GLN B 1 66 ? 2.303 -4.240 -59.703 1.00 51.32 ? 66 GLN B OE1 1 ATOM 4742 N NE2 . GLN B 1 66 ? 1.460 -3.250 -61.517 1.00 48.94 ? 66 GLN B NE2 1 ATOM 4743 N N . ASN B 1 67 ? 2.444 -4.785 -56.697 1.00 40.37 ? 67 ASN B N 1 ATOM 4744 C CA . ASN B 1 67 ? 3.271 -5.682 -55.902 1.00 39.55 ? 67 ASN B CA 1 ATOM 4745 C C . ASN B 1 67 ? 3.964 -4.989 -54.732 1.00 41.09 ? 67 ASN B C 1 ATOM 4746 O O . ASN B 1 67 ? 4.298 -3.805 -54.799 1.00 39.69 ? 67 ASN B O 1 ATOM 4747 C CB . ASN B 1 67 ? 4.323 -6.342 -56.780 1.00 34.97 ? 67 ASN B CB 1 ATOM 4748 C CG . ASN B 1 67 ? 3.721 -7.220 -57.848 1.00 59.98 ? 67 ASN B CG 1 ATOM 4749 O OD1 . ASN B 1 67 ? 2.650 -7.804 -57.661 1.00 45.72 ? 67 ASN B OD1 1 ATOM 4750 N ND2 . ASN B 1 67 ? 4.400 -7.341 -58.979 1.00 53.35 ? 67 ASN B ND2 1 ATOM 4751 N N . VAL B 1 68 ? 4.190 -5.769 -53.684 1.00 36.64 ? 68 VAL B N 1 ATOM 4752 C CA . VAL B 1 68 ? 4.883 -5.357 -52.491 1.00 36.00 ? 68 VAL B CA 1 ATOM 4753 C C . VAL B 1 68 ? 6.377 -5.605 -52.720 1.00 39.52 ? 68 VAL B C 1 ATOM 4754 O O . VAL B 1 68 ? 6.735 -6.605 -53.337 1.00 39.25 ? 68 VAL B O 1 ATOM 4755 C CB . VAL B 1 68 ? 4.294 -6.117 -51.272 1.00 40.14 ? 68 VAL B CB 1 ATOM 4756 C CG1 . VAL B 1 68 ? 5.133 -5.900 -50.017 1.00 39.25 ? 68 VAL B CG1 1 ATOM 4757 C CG2 . VAL B 1 68 ? 2.850 -5.690 -51.025 1.00 39.80 ? 68 VAL B CG2 1 ATOM 4758 N N . CYS B 1 69 ? 7.243 -4.679 -52.262 1.00 36.63 ? 69 CYS B N 1 ATOM 4759 C CA . CYS B 1 69 ? 8.690 -4.849 -52.396 1.00 36.88 ? 69 CYS B CA 1 ATOM 4760 C C . CYS B 1 69 ? 9.135 -6.101 -51.661 1.00 39.84 ? 69 CYS B C 1 ATOM 4761 O O . CYS B 1 69 ? 8.635 -6.378 -50.569 1.00 40.31 ? 69 CYS B O 1 ATOM 4762 C CB . CYS B 1 69 ? 9.447 -3.601 -51.935 1.00 36.64 ? 69 CYS B CB 1 ATOM 4763 S SG . CYS B 1 69 ? 9.189 -2.147 -52.996 1.00 40.52 ? 69 CYS B SG 1 ATOM 4764 N N . TYR B 1 70 ? 10.026 -6.871 -52.283 1.00 37.80 ? 70 TYR B N 1 ATOM 4765 C CA . TYR B 1 70 ? 10.517 -8.139 -51.745 1.00 38.57 ? 70 TYR B CA 1 ATOM 4766 C C . TYR B 1 70 ? 11.041 -7.965 -50.323 1.00 42.56 ? 70 TYR B C 1 ATOM 4767 O O . TYR B 1 70 ? 11.829 -7.049 -50.048 1.00 40.19 ? 70 TYR B O 1 ATOM 4768 C CB . TYR B 1 70 ? 11.531 -8.823 -52.681 1.00 39.08 ? 70 TYR B CB 1 ATOM 4769 C CG . TYR B 1 70 ? 11.404 -10.326 -52.583 1.00 40.93 ? 70 TYR B CG 1 ATOM 4770 C CD1 . TYR B 1 70 ? 11.962 -11.023 -51.506 1.00 42.82 ? 70 TYR B CD1 1 ATOM 4771 C CD2 . TYR B 1 70 ? 10.632 -11.042 -53.490 1.00 42.90 ? 70 TYR B CD2 1 ATOM 4772 C CE1 . TYR B 1 70 ? 11.764 -12.393 -51.343 1.00 45.63 ? 70 TYR B CE1 1 ATOM 4773 C CE2 . TYR B 1 70 ? 10.434 -12.420 -53.339 1.00 45.41 ? 70 TYR B CE2 1 ATOM 4774 C CZ . TYR B 1 70 ? 10.996 -13.087 -52.253 1.00 49.32 ? 70 TYR B CZ 1 ATOM 4775 O OH . TYR B 1 70 ? 10.834 -14.431 -52.039 1.00 50.61 ? 70 TYR B OH 1 ATOM 4776 N N . GLN B 1 71 ? 10.482 -8.772 -49.406 1.00 40.49 ? 71 GLN B N 1 ATOM 4777 C CA . GLN B 1 71 ? 10.766 -8.673 -47.978 1.00 40.58 ? 71 GLN B CA 1 ATOM 4778 C C . GLN B 1 71 ? 10.497 -9.966 -47.221 1.00 46.24 ? 71 GLN B C 1 ATOM 4779 O O . GLN B 1 71 ? 9.736 -10.834 -47.669 1.00 45.78 ? 71 GLN B O 1 ATOM 4780 C CB . GLN B 1 71 ? 9.903 -7.544 -47.350 1.00 40.81 ? 71 GLN B CB 1 ATOM 4781 C CG . GLN B 1 71 ? 8.377 -7.779 -47.407 1.00 35.86 ? 71 GLN B CG 1 ATOM 4782 C CD . GLN B 1 71 ? 7.596 -6.524 -47.113 1.00 46.01 ? 71 GLN B CD 1 ATOM 4783 O OE1 . GLN B 1 71 ? 6.943 -6.395 -46.066 1.00 41.80 ? 71 GLN B OE1 1 ATOM 4784 N NE2 . GLN B 1 71 ? 7.675 -5.547 -48.011 1.00 37.73 ? 71 GLN B NE2 1 ATOM 4785 N N . TYR B 1 72 ? 11.064 -10.028 -46.025 1.00 46.08 ? 72 TYR B N 1 ATOM 4786 C CA . TYR B 1 72 ? 10.855 -11.074 -45.041 1.00 47.69 ? 72 TYR B CA 1 ATOM 4787 C C . TYR B 1 72 ? 9.395 -10.963 -44.573 1.00 50.46 ? 72 TYR B C 1 ATOM 4788 O O . TYR B 1 72 ? 8.889 -9.856 -44.367 1.00 49.03 ? 72 TYR B O 1 ATOM 4789 C CB . TYR B 1 72 ? 11.825 -10.844 -43.850 1.00 50.13 ? 72 TYR B CB 1 ATOM 4790 C CG . TYR B 1 72 ? 11.569 -11.760 -42.676 1.00 54.22 ? 72 TYR B CG 1 ATOM 4791 C CD1 . TYR B 1 72 ? 12.006 -13.083 -42.689 1.00 57.39 ? 72 TYR B CD1 1 ATOM 4792 C CD2 . TYR B 1 72 ? 10.888 -11.308 -41.553 1.00 55.28 ? 72 TYR B CD2 1 ATOM 4793 C CE1 . TYR B 1 72 ? 11.755 -13.935 -41.620 1.00 60.02 ? 72 TYR B CE1 1 ATOM 4794 C CE2 . TYR B 1 72 ? 10.628 -12.152 -40.478 1.00 57.65 ? 72 TYR B CE2 1 ATOM 4795 C CZ . TYR B 1 72 ? 11.073 -13.463 -40.511 1.00 67.45 ? 72 TYR B CZ 1 ATOM 4796 O OH . TYR B 1 72 ? 10.820 -14.301 -39.451 1.00 73.74 ? 72 TYR B OH 1 ATOM 4797 N N . VAL B 1 73 ? 8.727 -12.103 -44.440 1.00 48.68 ? 73 VAL B N 1 ATOM 4798 C CA . VAL B 1 73 ? 7.335 -12.235 -44.002 1.00 49.88 ? 73 VAL B CA 1 ATOM 4799 C C . VAL B 1 73 ? 7.347 -12.871 -42.610 1.00 56.62 ? 73 VAL B C 1 ATOM 4800 O O . VAL B 1 73 ? 7.947 -13.924 -42.423 1.00 56.25 ? 73 VAL B O 1 ATOM 4801 C CB . VAL B 1 73 ? 6.500 -13.057 -45.025 1.00 55.09 ? 73 VAL B CB 1 ATOM 4802 C CG1 . VAL B 1 73 ? 5.098 -13.353 -44.496 1.00 56.17 ? 73 VAL B CG1 1 ATOM 4803 C CG2 . VAL B 1 73 ? 6.429 -12.351 -46.384 1.00 53.99 ? 73 VAL B CG2 1 ATOM 4804 N N . ASP B 1 74 ? 6.710 -12.202 -41.647 1.00 55.62 ? 74 ASP B N 1 ATOM 4805 C CA . ASP B 1 74 ? 6.654 -12.679 -40.273 1.00 57.51 ? 74 ASP B CA 1 ATOM 4806 C C . ASP B 1 74 ? 5.903 -13.980 -40.150 1.00 66.22 ? 74 ASP B C 1 ATOM 4807 O O . ASP B 1 74 ? 4.773 -14.125 -40.622 1.00 65.42 ? 74 ASP B O 1 ATOM 4808 C CB . ASP B 1 74 ? 6.097 -11.618 -39.314 1.00 59.29 ? 74 ASP B CB 1 ATOM 4809 C CG . ASP B 1 74 ? 6.183 -12.044 -37.859 1.00 71.99 ? 74 ASP B CG 1 ATOM 4810 O OD1 . ASP B 1 74 ? 5.342 -12.870 -37.432 1.00 74.93 ? 74 ASP B OD1 1 ATOM 4811 O OD2 . ASP B 1 74 ? 7.115 -11.595 -37.167 1.00 77.05 ? 74 ASP B OD2 1 ATOM 4812 N N . THR B 1 75 ? 6.567 -14.928 -39.500 1.00 68.33 ? 75 THR B N 1 ATOM 4813 C CA . THR B 1 75 ? 6.090 -16.278 -39.202 1.00 71.82 ? 75 THR B CA 1 ATOM 4814 C C . THR B 1 75 ? 5.955 -16.524 -37.676 1.00 80.10 ? 75 THR B C 1 ATOM 4815 O O . THR B 1 75 ? 5.453 -17.574 -37.280 1.00 82.62 ? 75 THR B O 1 ATOM 4816 C CB . THR B 1 75 ? 6.974 -17.332 -39.889 1.00 79.77 ? 75 THR B CB 1 ATOM 4817 O OG1 . THR B 1 75 ? 8.346 -17.057 -39.579 1.00 82.75 ? 75 THR B OG1 1 ATOM 4818 C CG2 . THR B 1 75 ? 6.741 -17.397 -41.400 1.00 71.24 ? 75 THR B CG2 1 ATOM 4819 N N . LEU B 1 76 ? 6.365 -15.541 -36.843 1.00 77.69 ? 76 LEU B N 1 ATOM 4820 C CA . LEU B 1 76 ? 6.335 -15.542 -35.366 1.00 79.07 ? 76 LEU B CA 1 ATOM 4821 C C . LEU B 1 76 ? 5.038 -16.144 -34.767 1.00 84.53 ? 76 LEU B C 1 ATOM 4822 O O . LEU B 1 76 ? 5.133 -16.990 -33.875 1.00 86.43 ? 76 LEU B O 1 ATOM 4823 C CB . LEU B 1 76 ? 6.602 -14.103 -34.833 1.00 77.86 ? 76 LEU B CB 1 ATOM 4824 C CG . LEU B 1 76 ? 6.876 -13.860 -33.328 1.00 83.65 ? 76 LEU B CG 1 ATOM 4825 C CD1 . LEU B 1 76 ? 8.199 -14.475 -32.873 1.00 84.80 ? 76 LEU B CD1 1 ATOM 4826 C CD2 . LEU B 1 76 ? 6.897 -12.367 -33.019 1.00 84.40 ? 76 LEU B CD2 1 ATOM 4827 N N . TYR B 1 77 ? 3.845 -15.743 -35.287 1.00 79.22 ? 77 TYR B N 1 ATOM 4828 C CA . TYR B 1 77 ? 2.520 -16.231 -34.858 1.00 78.56 ? 77 TYR B CA 1 ATOM 4829 C C . TYR B 1 77 ? 1.564 -16.436 -36.068 1.00 79.90 ? 77 TYR B C 1 ATOM 4830 O O . TYR B 1 77 ? 0.824 -15.521 -36.431 1.00 78.21 ? 77 TYR B O 1 ATOM 4831 C CB . TYR B 1 77 ? 1.890 -15.288 -33.815 1.00 78.04 ? 77 TYR B CB 1 ATOM 4832 C CG . TYR B 1 77 ? 2.671 -15.127 -32.529 1.00 79.06 ? 77 TYR B CG 1 ATOM 4833 C CD1 . TYR B 1 77 ? 2.663 -16.121 -31.555 1.00 82.89 ? 77 TYR B CD1 1 ATOM 4834 C CD2 . TYR B 1 77 ? 3.350 -13.946 -32.248 1.00 77.56 ? 77 TYR B CD2 1 ATOM 4835 C CE1 . TYR B 1 77 ? 3.341 -15.958 -30.345 1.00 83.44 ? 77 TYR B CE1 1 ATOM 4836 C CE2 . TYR B 1 77 ? 4.037 -13.772 -31.044 1.00 78.44 ? 77 TYR B CE2 1 ATOM 4837 C CZ . TYR B 1 77 ? 4.034 -14.783 -30.096 1.00 87.78 ? 77 TYR B CZ 1 ATOM 4838 O OH . TYR B 1 77 ? 4.682 -14.601 -28.889 1.00 87.23 ? 77 TYR B OH 1 ATOM 4839 N N . PRO B 1 78 ? 1.553 -17.627 -36.698 1.00 77.96 ? 78 PRO B N 1 ATOM 4840 C CA . PRO B 1 78 ? 0.684 -17.847 -37.881 1.00 77.30 ? 78 PRO B CA 1 ATOM 4841 C C . PRO B 1 78 ? -0.832 -17.819 -37.623 1.00 78.95 ? 78 PRO B C 1 ATOM 4842 O O . PRO B 1 78 ? -1.327 -18.479 -36.711 1.00 81.29 ? 78 PRO B O 1 ATOM 4843 C CB . PRO B 1 78 ? 1.127 -19.230 -38.405 1.00 81.05 ? 78 PRO B CB 1 ATOM 4844 C CG . PRO B 1 78 ? 2.419 -19.535 -37.725 1.00 86.38 ? 78 PRO B CG 1 ATOM 4845 C CD . PRO B 1 78 ? 2.379 -18.818 -36.405 1.00 81.94 ? 78 PRO B CD 1 ATOM 4846 N N . GLY B 1 79 ? -1.553 -17.060 -38.449 1.00 71.07 ? 79 GLY B N 1 ATOM 4847 C CA . GLY B 1 79 ? -3.004 -16.895 -38.355 1.00 70.23 ? 79 GLY B CA 1 ATOM 4848 C C . GLY B 1 79 ? -3.459 -15.727 -37.493 1.00 69.78 ? 79 GLY B C 1 ATOM 4849 O O . GLY B 1 79 ? -4.622 -15.318 -37.561 1.00 70.16 ? 79 GLY B O 1 ATOM 4850 N N . PHE B 1 80 ? -2.531 -15.164 -36.694 1.00 61.06 ? 80 PHE B N 1 ATOM 4851 C CA . PHE B 1 80 ? -2.771 -14.071 -35.745 1.00 57.50 ? 80 PHE B CA 1 ATOM 4852 C C . PHE B 1 80 ? -2.814 -12.693 -36.394 1.00 59.58 ? 80 PHE B C 1 ATOM 4853 O O . PHE B 1 80 ? -1.835 -12.267 -37.001 1.00 57.51 ? 80 PHE B O 1 ATOM 4854 C CB . PHE B 1 80 ? -1.731 -14.139 -34.614 1.00 57.56 ? 80 PHE B CB 1 ATOM 4855 C CG . PHE B 1 80 ? -1.787 -13.077 -33.538 1.00 56.73 ? 80 PHE B CG 1 ATOM 4856 C CD1 . PHE B 1 80 ? -2.907 -12.944 -32.723 1.00 58.45 ? 80 PHE B CD1 1 ATOM 4857 C CD2 . PHE B 1 80 ? -0.694 -12.252 -33.297 1.00 54.84 ? 80 PHE B CD2 1 ATOM 4858 C CE1 . PHE B 1 80 ? -2.945 -11.972 -31.718 1.00 57.02 ? 80 PHE B CE1 1 ATOM 4859 C CE2 . PHE B 1 80 ? -0.729 -11.299 -32.279 1.00 55.16 ? 80 PHE B CE2 1 ATOM 4860 C CZ . PHE B 1 80 ? -1.854 -11.159 -31.504 1.00 53.59 ? 80 PHE B CZ 1 ATOM 4861 N N . GLU B 1 81 ? -3.939 -11.986 -36.228 1.00 58.16 ? 81 GLU B N 1 ATOM 4862 C CA . GLU B 1 81 ? -4.169 -10.635 -36.765 1.00 57.83 ? 81 GLU B CA 1 ATOM 4863 C C . GLU B 1 81 ? -3.092 -9.619 -36.325 1.00 59.82 ? 81 GLU B C 1 ATOM 4864 O O . GLU B 1 81 ? -2.672 -8.804 -37.143 1.00 60.02 ? 81 GLU B O 1 ATOM 4865 C CB . GLU B 1 81 ? -5.579 -10.131 -36.381 1.00 60.96 ? 81 GLU B CB 1 ATOM 4866 C CG . GLU B 1 81 ? -6.021 -8.849 -37.088 1.00 79.01 ? 81 GLU B CG 1 ATOM 4867 C CD . GLU B 1 81 ? -6.446 -8.980 -38.544 1.00 113.98 ? 81 GLU B CD 1 ATOM 4868 O OE1 . GLU B 1 81 ? -7.396 -9.749 -38.820 1.00 126.35 ? 81 GLU B OE1 1 ATOM 4869 O OE2 . GLU B 1 81 ? -5.866 -8.275 -39.402 1.00 103.84 ? 81 GLU B OE2 1 ATOM 4870 N N . GLY B 1 82 ? -2.633 -9.705 -35.074 1.00 54.21 ? 82 GLY B N 1 ATOM 4871 C CA . GLY B 1 82 ? -1.611 -8.817 -34.510 1.00 52.03 ? 82 GLY B CA 1 ATOM 4872 C C . GLY B 1 82 ? -0.336 -8.687 -35.326 1.00 53.15 ? 82 GLY B C 1 ATOM 4873 O O . GLY B 1 82 ? 0.243 -7.603 -35.426 1.00 50.52 ? 82 GLY B O 1 ATOM 4874 N N . THR B 1 83 ? 0.114 -9.793 -35.914 1.00 50.28 ? 83 THR B N 1 ATOM 4875 C CA . THR B 1 83 ? 1.294 -9.805 -36.785 1.00 48.59 ? 83 THR B CA 1 ATOM 4876 C C . THR B 1 83 ? 0.893 -9.725 -38.267 1.00 50.44 ? 83 THR B C 1 ATOM 4877 O O . THR B 1 83 ? 1.527 -9.011 -39.038 1.00 49.44 ? 83 THR B O 1 ATOM 4878 C CB . THR B 1 83 ? 2.141 -11.069 -36.557 1.00 52.75 ? 83 THR B CB 1 ATOM 4879 O OG1 . THR B 1 83 ? 1.288 -12.213 -36.608 1.00 54.68 ? 83 THR B OG1 1 ATOM 4880 C CG2 . THR B 1 83 ? 2.892 -11.051 -35.246 1.00 48.30 ? 83 THR B CG2 1 ATOM 4881 N N . GLU B 1 84 ? -0.168 -10.435 -38.654 1.00 47.59 ? 84 GLU B N 1 ATOM 4882 C CA . GLU B 1 84 ? -0.578 -10.562 -40.047 1.00 47.82 ? 84 GLU B CA 1 ATOM 4883 C C . GLU B 1 84 ? -1.079 -9.278 -40.685 1.00 52.25 ? 84 GLU B C 1 ATOM 4884 O O . GLU B 1 84 ? -0.962 -9.161 -41.916 1.00 51.94 ? 84 GLU B O 1 ATOM 4885 C CB . GLU B 1 84 ? -1.570 -11.718 -40.240 1.00 50.45 ? 84 GLU B CB 1 ATOM 4886 C CG . GLU B 1 84 ? -0.767 -12.966 -40.551 1.00 66.34 ? 84 GLU B CG 1 ATOM 4887 C CD . GLU B 1 84 ? -1.380 -14.331 -40.364 1.00 88.96 ? 84 GLU B CD 1 ATOM 4888 O OE1 . GLU B 1 84 ? -2.624 -14.456 -40.389 1.00 90.81 ? 84 GLU B OE1 1 ATOM 4889 O OE2 . GLU B 1 84 ? -0.592 -15.295 -40.260 1.00 77.04 ? 84 GLU B OE2 1 ATOM 4890 N N . MET B 1 85 ? -1.570 -8.301 -39.883 1.00 48.28 ? 85 MET B N 1 ATOM 4891 C CA A MET B 1 85 ? -2.049 -7.018 -40.406 0.50 46.97 ? 85 MET B CA 1 ATOM 4892 C CA B MET B 1 85 ? -2.048 -7.022 -40.422 0.50 46.56 ? 85 MET B CA 1 ATOM 4893 C C . MET B 1 85 ? -0.901 -6.172 -40.989 1.00 48.97 ? 85 MET B C 1 ATOM 4894 O O . MET B 1 85 ? -1.151 -5.197 -41.702 1.00 47.75 ? 85 MET B O 1 ATOM 4895 C CB A MET B 1 85 ? -2.857 -6.243 -39.340 0.50 49.35 ? 85 MET B CB 1 ATOM 4896 C CB B MET B 1 85 ? -2.899 -6.246 -39.390 0.50 48.65 ? 85 MET B CB 1 ATOM 4897 C CG A MET B 1 85 ? -2.026 -5.709 -38.170 0.50 51.94 ? 85 MET B CG 1 ATOM 4898 C CG B MET B 1 85 ? -2.101 -5.483 -38.342 0.50 50.57 ? 85 MET B CG 1 ATOM 4899 S SD A MET B 1 85 ? -2.589 -4.094 -37.558 0.50 55.09 ? 85 MET B SD 1 ATOM 4900 S SD B MET B 1 85 ? -3.167 -4.487 -37.264 0.50 54.12 ? 85 MET B SD 1 ATOM 4901 C CE A MET B 1 85 ? -2.266 -3.131 -38.943 0.50 50.40 ? 85 MET B CE 1 ATOM 4902 C CE B MET B 1 85 ? -3.546 -5.679 -36.007 0.50 51.93 ? 85 MET B CE 1 ATOM 4903 N N . TRP B 1 86 ? 0.353 -6.542 -40.662 1.00 45.14 ? 86 TRP B N 1 ATOM 4904 C CA . TRP B 1 86 ? 1.551 -5.847 -41.124 1.00 42.85 ? 86 TRP B CA 1 ATOM 4905 C C . TRP B 1 86 ? 2.240 -6.578 -42.280 1.00 45.51 ? 86 TRP B C 1 ATOM 4906 O O . TRP B 1 86 ? 3.104 -6.000 -42.935 1.00 43.76 ? 86 TRP B O 1 ATOM 4907 C CB . TRP B 1 86 ? 2.523 -5.632 -39.965 1.00 40.68 ? 86 TRP B CB 1 ATOM 4908 C CG . TRP B 1 86 ? 1.895 -5.008 -38.764 1.00 40.92 ? 86 TRP B CG 1 ATOM 4909 C CD1 . TRP B 1 86 ? 1.564 -5.632 -37.600 1.00 44.54 ? 86 TRP B CD1 1 ATOM 4910 C CD2 . TRP B 1 86 ? 1.485 -3.638 -38.624 1.00 39.72 ? 86 TRP B CD2 1 ATOM 4911 N NE1 . TRP B 1 86 ? 0.997 -4.733 -36.728 1.00 44.51 ? 86 TRP B NE1 1 ATOM 4912 C CE2 . TRP B 1 86 ? 0.957 -3.493 -37.323 1.00 44.66 ? 86 TRP B CE2 1 ATOM 4913 C CE3 . TRP B 1 86 ? 1.520 -2.511 -39.473 1.00 39.83 ? 86 TRP B CE3 1 ATOM 4914 C CZ2 . TRP B 1 86 ? 0.494 -2.258 -36.834 1.00 43.20 ? 86 TRP B CZ2 1 ATOM 4915 C CZ3 . TRP B 1 86 ? 1.056 -1.288 -38.990 1.00 40.88 ? 86 TRP B CZ3 1 ATOM 4916 C CH2 . TRP B 1 86 ? 0.553 -1.170 -37.687 1.00 41.70 ? 86 TRP B CH2 1 ATOM 4917 N N . ASN B 1 87 ? 1.864 -7.845 -42.518 1.00 43.58 ? 87 ASN B N 1 ATOM 4918 C CA . ASN B 1 87 ? 2.427 -8.688 -43.577 1.00 43.73 ? 87 ASN B CA 1 ATOM 4919 C C . ASN B 1 87 ? 1.988 -8.251 -44.970 1.00 48.76 ? 87 ASN B C 1 ATOM 4920 O O . ASN B 1 87 ? 0.921 -7.637 -45.101 1.00 47.48 ? 87 ASN B O 1 ATOM 4921 C CB . ASN B 1 87 ? 2.113 -10.177 -43.336 1.00 44.30 ? 87 ASN B CB 1 ATOM 4922 C CG . ASN B 1 87 ? 3.041 -10.831 -42.332 1.00 63.23 ? 87 ASN B CG 1 ATOM 4923 O OD1 . ASN B 1 87 ? 4.142 -10.345 -42.029 1.00 53.74 ? 87 ASN B OD1 1 ATOM 4924 N ND2 . ASN B 1 87 ? 2.634 -11.963 -41.806 1.00 54.69 ? 87 ASN B ND2 1 ATOM 4925 N N . PRO B 1 88 ? 2.792 -8.545 -46.025 1.00 46.67 ? 88 PRO B N 1 ATOM 4926 C CA . PRO B 1 88 ? 2.380 -8.158 -47.387 1.00 46.01 ? 88 PRO B CA 1 ATOM 4927 C C . PRO B 1 88 ? 0.985 -8.673 -47.740 1.00 49.43 ? 88 PRO B C 1 ATOM 4928 O O . PRO B 1 88 ? 0.633 -9.816 -47.398 1.00 48.85 ? 88 PRO B O 1 ATOM 4929 C CB . PRO B 1 88 ? 3.445 -8.829 -48.276 1.00 47.94 ? 88 PRO B CB 1 ATOM 4930 C CG . PRO B 1 88 ? 4.646 -8.929 -47.397 1.00 51.81 ? 88 PRO B CG 1 ATOM 4931 C CD . PRO B 1 88 ? 4.098 -9.249 -46.040 1.00 48.14 ? 88 PRO B CD 1 ATOM 4932 N N . ASN B 1 89 ? 0.183 -7.820 -48.393 1.00 45.80 ? 89 ASN B N 1 ATOM 4933 C CA . ASN B 1 89 ? -1.172 -8.189 -48.809 1.00 47.24 ? 89 ASN B CA 1 ATOM 4934 C C . ASN B 1 89 ? -1.302 -8.239 -50.345 1.00 51.29 ? 89 ASN B C 1 ATOM 4935 O O . ASN B 1 89 ? -2.409 -8.342 -50.867 1.00 53.08 ? 89 ASN B O 1 ATOM 4936 C CB . ASN B 1 89 ? -2.214 -7.277 -48.146 1.00 47.53 ? 89 ASN B CB 1 ATOM 4937 C CG . ASN B 1 89 ? -2.126 -5.841 -48.578 1.00 55.61 ? 89 ASN B CG 1 ATOM 4938 O OD1 . ASN B 1 89 ? -1.090 -5.361 -49.057 1.00 46.46 ? 89 ASN B OD1 1 ATOM 4939 N ND2 . ASN B 1 89 ? -3.231 -5.131 -48.458 1.00 43.73 ? 89 ASN B ND2 1 ATOM 4940 N N . ARG B 1 90 ? -0.161 -8.167 -51.056 1.00 45.88 ? 90 ARG B N 1 ATOM 4941 C CA . ARG B 1 90 ? -0.072 -8.343 -52.507 1.00 46.57 ? 90 ARG B CA 1 ATOM 4942 C C . ARG B 1 90 ? 1.184 -9.190 -52.723 1.00 49.06 ? 90 ARG B C 1 ATOM 4943 O O . ARG B 1 90 ? 1.953 -9.409 -51.779 1.00 46.03 ? 90 ARG B O 1 ATOM 4944 C CB . ARG B 1 90 ? -0.019 -6.992 -53.279 1.00 47.04 ? 90 ARG B CB 1 ATOM 4945 C CG . ARG B 1 90 ? -1.298 -6.135 -53.219 1.00 51.50 ? 90 ARG B CG 1 ATOM 4946 C CD . ARG B 1 90 ? -2.511 -6.790 -53.882 1.00 52.71 ? 90 ARG B CD 1 ATOM 4947 N NE . ARG B 1 90 ? -3.716 -5.964 -53.833 1.00 64.42 ? 90 ARG B NE 1 ATOM 4948 C CZ . ARG B 1 90 ? -4.598 -5.927 -52.832 1.00 71.41 ? 90 ARG B CZ 1 ATOM 4949 N NH1 . ARG B 1 90 ? -4.403 -6.644 -51.734 1.00 53.90 ? 90 ARG B NH1 1 ATOM 4950 N NH2 . ARG B 1 90 ? -5.657 -5.133 -52.902 1.00 51.12 ? 90 ARG B NH2 1 ATOM 4951 N N . GLU B 1 91 ? 1.359 -9.727 -53.923 1.00 45.60 ? 91 GLU B N 1 ATOM 4952 C CA . GLU B 1 91 ? 2.508 -10.565 -54.248 1.00 45.17 ? 91 GLU B CA 1 ATOM 4953 C C . GLU B 1 91 ? 3.805 -9.803 -54.046 1.00 45.94 ? 91 GLU B C 1 ATOM 4954 O O . GLU B 1 91 ? 3.842 -8.585 -54.262 1.00 43.44 ? 91 GLU B O 1 ATOM 4955 C CB . GLU B 1 91 ? 2.432 -11.055 -55.707 1.00 47.04 ? 91 GLU B CB 1 ATOM 4956 C CG . GLU B 1 91 ? 1.353 -12.092 -55.965 1.00 63.70 ? 91 GLU B CG 1 ATOM 4957 C CD . GLU B 1 91 ? 1.504 -13.399 -55.218 1.00 88.19 ? 91 GLU B CD 1 ATOM 4958 O OE1 . GLU B 1 91 ? 2.570 -14.045 -55.345 1.00 87.32 ? 91 GLU B OE1 1 ATOM 4959 O OE2 . GLU B 1 91 ? 0.554 -13.770 -54.493 1.00 88.87 ? 91 GLU B OE2 1 ATOM 4960 N N . LEU B 1 92 ? 4.851 -10.521 -53.617 1.00 43.10 ? 92 LEU B N 1 ATOM 4961 C CA . LEU B 1 92 ? 6.180 -9.968 -53.397 1.00 42.77 ? 92 LEU B CA 1 ATOM 4962 C C . LEU B 1 92 ? 6.891 -9.918 -54.738 1.00 46.30 ? 92 LEU B C 1 ATOM 4963 O O . LEU B 1 92 ? 6.844 -10.875 -55.510 1.00 46.71 ? 92 LEU B O 1 ATOM 4964 C CB . LEU B 1 92 ? 6.998 -10.864 -52.443 1.00 43.10 ? 92 LEU B CB 1 ATOM 4965 C CG . LEU B 1 92 ? 6.593 -10.896 -50.985 1.00 46.56 ? 92 LEU B CG 1 ATOM 4966 C CD1 . LEU B 1 92 ? 7.604 -11.708 -50.199 1.00 47.22 ? 92 LEU B CD1 1 ATOM 4967 C CD2 . LEU B 1 92 ? 6.510 -9.497 -50.413 1.00 45.87 ? 92 LEU B CD2 1 ATOM 4968 N N . SER B 1 93 ? 7.531 -8.797 -55.022 1.00 41.10 ? 93 SER B N 1 ATOM 4969 C CA . SER B 1 93 ? 8.296 -8.657 -56.254 1.00 40.79 ? 93 SER B CA 1 ATOM 4970 C C . SER B 1 93 ? 9.318 -7.571 -56.102 1.00 42.47 ? 93 SER B C 1 ATOM 4971 O O . SER B 1 93 ? 9.077 -6.604 -55.381 1.00 40.74 ? 93 SER B O 1 ATOM 4972 C CB . SER B 1 93 ? 7.377 -8.332 -57.441 1.00 42.17 ? 93 SER B CB 1 ATOM 4973 O OG . SER B 1 93 ? 8.104 -8.128 -58.643 1.00 44.37 ? 93 SER B OG 1 ATOM 4974 N N . GLU B 1 94 ? 10.431 -7.688 -56.842 1.00 40.05 ? 94 GLU B N 1 ATOM 4975 C CA . GLU B 1 94 ? 11.439 -6.622 -56.920 1.00 38.40 ? 94 GLU B CA 1 ATOM 4976 C C . GLU B 1 94 ? 10.906 -5.507 -57.824 1.00 40.63 ? 94 GLU B C 1 ATOM 4977 O O . GLU B 1 94 ? 11.354 -4.367 -57.724 1.00 39.88 ? 94 GLU B O 1 ATOM 4978 C CB . GLU B 1 94 ? 12.759 -7.157 -57.442 1.00 40.49 ? 94 GLU B CB 1 ATOM 4979 C CG . GLU B 1 94 ? 13.559 -7.815 -56.338 1.00 43.48 ? 94 GLU B CG 1 ATOM 4980 C CD . GLU B 1 94 ? 14.892 -8.270 -56.868 1.00 53.19 ? 94 GLU B CD 1 ATOM 4981 O OE1 . GLU B 1 94 ? 15.823 -7.438 -56.938 1.00 39.76 ? 94 GLU B OE1 1 ATOM 4982 O OE2 . GLU B 1 94 ? 14.989 -9.455 -57.246 1.00 43.66 ? 94 GLU B OE2 1 ATOM 4983 N N . ASP B 1 95 ? 9.899 -5.839 -58.670 1.00 36.61 ? 95 ASP B N 1 ATOM 4984 C CA . ASP B 1 95 ? 9.192 -4.879 -59.517 1.00 35.34 ? 95 ASP B CA 1 ATOM 4985 C C . ASP B 1 95 ? 8.056 -4.362 -58.613 1.00 39.64 ? 95 ASP B C 1 ATOM 4986 O O . ASP B 1 95 ? 6.937 -4.911 -58.591 1.00 38.38 ? 95 ASP B O 1 ATOM 4987 C CB . ASP B 1 95 ? 8.680 -5.557 -60.787 1.00 36.82 ? 95 ASP B CB 1 ATOM 4988 C CG . ASP B 1 95 ? 7.889 -4.653 -61.713 1.00 41.17 ? 95 ASP B CG 1 ATOM 4989 O OD1 . ASP B 1 95 ? 7.682 -3.482 -61.368 1.00 39.73 ? 95 ASP B OD1 1 ATOM 4990 O OD2 . ASP B 1 95 ? 7.495 -5.115 -62.771 1.00 41.59 ? 95 ASP B OD2 1 ATOM 4991 N N . CYS B 1 96 ? 8.380 -3.311 -57.825 1.00 35.23 ? 96 CYS B N 1 ATOM 4992 C CA . CYS B 1 96 ? 7.469 -2.816 -56.784 1.00 35.31 ? 96 CYS B CA 1 ATOM 4993 C C . CYS B 1 96 ? 7.398 -1.290 -56.684 1.00 38.71 ? 96 CYS B C 1 ATOM 4994 O O . CYS B 1 96 ? 6.754 -0.779 -55.767 1.00 38.92 ? 96 CYS B O 1 ATOM 4995 C CB . CYS B 1 96 ? 7.933 -3.413 -55.457 1.00 36.30 ? 96 CYS B CB 1 ATOM 4996 S SG . CYS B 1 96 ? 9.554 -2.804 -54.903 1.00 40.51 ? 96 CYS B SG 1 ATOM 4997 N N . LEU B 1 97 ? 8.101 -0.555 -57.560 1.00 35.12 ? 97 LEU B N 1 ATOM 4998 C CA . LEU B 1 97 ? 8.156 0.903 -57.417 1.00 34.78 ? 97 LEU B CA 1 ATOM 4999 C C . LEU B 1 97 ? 6.925 1.596 -58.024 1.00 39.71 ? 97 LEU B C 1 ATOM 5000 O O . LEU B 1 97 ? 6.947 2.129 -59.139 1.00 39.01 ? 97 LEU B O 1 ATOM 5001 C CB . LEU B 1 97 ? 9.507 1.454 -57.945 1.00 34.16 ? 97 LEU B CB 1 ATOM 5002 C CG . LEU B 1 97 ? 10.759 1.006 -57.107 1.00 37.28 ? 97 LEU B CG 1 ATOM 5003 C CD1 . LEU B 1 97 ? 12.015 1.754 -57.537 1.00 36.80 ? 97 LEU B CD1 1 ATOM 5004 C CD2 . LEU B 1 97 ? 10.539 1.173 -55.566 1.00 35.72 ? 97 LEU B CD2 1 ATOM 5005 N N . TYR B 1 98 ? 5.828 1.558 -57.248 1.00 36.68 ? 98 TYR B N 1 ATOM 5006 C CA . TYR B 1 98 ? 4.524 2.128 -57.591 1.00 34.77 ? 98 TYR B CA 1 ATOM 5007 C C . TYR B 1 98 ? 4.030 3.012 -56.450 1.00 40.32 ? 98 TYR B C 1 ATOM 5008 O O . TYR B 1 98 ? 4.412 2.820 -55.290 1.00 36.44 ? 98 TYR B O 1 ATOM 5009 C CB . TYR B 1 98 ? 3.505 1.006 -57.889 1.00 35.52 ? 98 TYR B CB 1 ATOM 5010 C CG . TYR B 1 98 ? 3.982 0.083 -59.003 1.00 38.94 ? 98 TYR B CG 1 ATOM 5011 C CD1 . TYR B 1 98 ? 4.763 -1.040 -58.720 1.00 40.10 ? 98 TYR B CD1 1 ATOM 5012 C CD2 . TYR B 1 98 ? 3.649 0.331 -60.337 1.00 40.28 ? 98 TYR B CD2 1 ATOM 5013 C CE1 . TYR B 1 98 ? 5.242 -1.866 -59.737 1.00 39.43 ? 98 TYR B CE1 1 ATOM 5014 C CE2 . TYR B 1 98 ? 4.114 -0.496 -61.364 1.00 42.05 ? 98 TYR B CE2 1 ATOM 5015 C CZ . TYR B 1 98 ? 4.917 -1.586 -61.057 1.00 46.78 ? 98 TYR B CZ 1 ATOM 5016 O OH . TYR B 1 98 ? 5.380 -2.401 -62.052 1.00 46.97 ? 98 TYR B OH 1 ATOM 5017 N N . LEU B 1 99 ? 3.166 3.983 -56.783 1.00 38.80 ? 99 LEU B N 1 ATOM 5018 C CA . LEU B 1 99 ? 2.583 4.841 -55.776 1.00 37.33 ? 99 LEU B CA 1 ATOM 5019 C C . LEU B 1 99 ? 1.069 4.888 -55.941 1.00 42.48 ? 99 LEU B C 1 ATOM 5020 O O . LEU B 1 99 ? 0.524 4.439 -56.960 1.00 40.69 ? 99 LEU B O 1 ATOM 5021 C CB . LEU B 1 99 ? 3.232 6.249 -55.716 1.00 36.55 ? 99 LEU B CB 1 ATOM 5022 C CG . LEU B 1 99 ? 3.237 7.105 -56.994 1.00 39.89 ? 99 LEU B CG 1 ATOM 5023 C CD1 . LEU B 1 99 ? 1.840 7.774 -57.253 1.00 39.81 ? 99 LEU B CD1 1 ATOM 5024 C CD2 . LEU B 1 99 ? 4.336 8.158 -56.896 1.00 37.42 ? 99 LEU B CD2 1 ATOM 5025 N N . ASN B 1 100 ? 0.389 5.407 -54.913 1.00 40.09 ? 100 ASN B N 1 ATOM 5026 C CA . ASN B 1 100 ? -1.072 5.446 -54.862 1.00 40.66 ? 100 ASN B CA 1 ATOM 5027 C C . ASN B 1 100 ? -1.538 6.848 -54.551 1.00 42.21 ? 100 ASN B C 1 ATOM 5028 O O . ASN B 1 100 ? -0.908 7.536 -53.758 1.00 39.92 ? 100 ASN B O 1 ATOM 5029 C CB . ASN B 1 100 ? -1.561 4.496 -53.751 1.00 39.99 ? 100 ASN B CB 1 ATOM 5030 C CG . ASN B 1 100 ? -0.926 3.132 -53.812 1.00 44.64 ? 100 ASN B CG 1 ATOM 5031 O OD1 . ASN B 1 100 ? -1.116 2.374 -54.761 1.00 42.82 ? 100 ASN B OD1 1 ATOM 5032 N ND2 . ASN B 1 100 ? -0.109 2.823 -52.834 1.00 36.30 ? 100 ASN B ND2 1 ATOM 5033 N N . VAL B 1 101 ? -2.649 7.270 -55.156 1.00 40.08 ? 101 VAL B N 1 ATOM 5034 C CA . VAL B 1 101 ? -3.216 8.602 -54.922 1.00 39.54 ? 101 VAL B CA 1 ATOM 5035 C C . VAL B 1 101 ? -4.697 8.438 -54.587 1.00 43.06 ? 101 VAL B C 1 ATOM 5036 O O . VAL B 1 101 ? -5.414 7.785 -55.333 1.00 41.97 ? 101 VAL B O 1 ATOM 5037 C CB . VAL B 1 101 ? -3.025 9.568 -56.154 1.00 44.01 ? 101 VAL B CB 1 ATOM 5038 C CG1 . VAL B 1 101 ? -3.561 10.970 -55.851 1.00 44.16 ? 101 VAL B CG1 1 ATOM 5039 C CG2 . VAL B 1 101 ? -1.562 9.653 -56.610 1.00 42.43 ? 101 VAL B CG2 1 ATOM 5040 N N . TRP B 1 102 ? -5.163 9.069 -53.507 1.00 40.58 ? 102 TRP B N 1 ATOM 5041 C CA . TRP B 1 102 ? -6.584 9.157 -53.159 1.00 41.39 ? 102 TRP B CA 1 ATOM 5042 C C . TRP B 1 102 ? -6.926 10.632 -53.183 1.00 46.45 ? 102 TRP B C 1 ATOM 5043 O O . TRP B 1 102 ? -6.161 11.458 -52.680 1.00 45.17 ? 102 TRP B O 1 ATOM 5044 C CB . TRP B 1 102 ? -6.887 8.620 -51.761 1.00 40.11 ? 102 TRP B CB 1 ATOM 5045 C CG . TRP B 1 102 ? -6.801 7.130 -51.626 1.00 41.08 ? 102 TRP B CG 1 ATOM 5046 C CD1 . TRP B 1 102 ? -7.824 6.233 -51.725 1.00 44.61 ? 102 TRP B CD1 1 ATOM 5047 C CD2 . TRP B 1 102 ? -5.639 6.378 -51.244 1.00 39.73 ? 102 TRP B CD2 1 ATOM 5048 N NE1 . TRP B 1 102 ? -7.378 4.970 -51.408 1.00 43.27 ? 102 TRP B NE1 1 ATOM 5049 C CE2 . TRP B 1 102 ? -6.037 5.025 -51.129 1.00 43.73 ? 102 TRP B CE2 1 ATOM 5050 C CE3 . TRP B 1 102 ? -4.295 6.716 -51.003 1.00 39.35 ? 102 TRP B CE3 1 ATOM 5051 C CZ2 . TRP B 1 102 ? -5.146 4.014 -50.748 1.00 42.68 ? 102 TRP B CZ2 1 ATOM 5052 C CZ3 . TRP B 1 102 ? -3.413 5.716 -50.619 1.00 40.64 ? 102 TRP B CZ3 1 ATOM 5053 C CH2 . TRP B 1 102 ? -3.835 4.381 -50.504 1.00 41.89 ? 102 TRP B CH2 1 ATOM 5054 N N . THR B 1 103 ? -8.045 10.972 -53.788 1.00 45.45 ? 103 THR B N 1 ATOM 5055 C CA . THR B 1 103 ? -8.504 12.360 -53.836 1.00 47.42 ? 103 THR B CA 1 ATOM 5056 C C . THR B 1 103 ? -10.004 12.353 -53.626 1.00 52.98 ? 103 THR B C 1 ATOM 5057 O O . THR B 1 103 ? -10.639 11.336 -53.917 1.00 52.05 ? 103 THR B O 1 ATOM 5058 C CB . THR B 1 103 ? -8.228 13.038 -55.224 1.00 56.89 ? 103 THR B CB 1 ATOM 5059 O OG1 . THR B 1 103 ? -9.193 12.592 -56.185 1.00 63.02 ? 103 THR B OG1 1 ATOM 5060 C CG2 . THR B 1 103 ? -6.822 12.802 -55.745 1.00 56.15 ? 103 THR B CG2 1 ATOM 5061 N N . PRO B 1 104 ? -10.604 13.500 -53.230 1.00 50.86 ? 104 PRO B N 1 ATOM 5062 C CA . PRO B 1 104 ? -12.076 13.575 -53.171 1.00 51.84 ? 104 PRO B CA 1 ATOM 5063 C C . PRO B 1 104 ? -12.714 13.276 -54.535 1.00 57.48 ? 104 PRO B C 1 ATOM 5064 O O . PRO B 1 104 ? -12.064 13.426 -55.568 1.00 57.15 ? 104 PRO B O 1 ATOM 5065 C CB . PRO B 1 104 ? -12.325 15.051 -52.819 1.00 53.66 ? 104 PRO B CB 1 ATOM 5066 C CG . PRO B 1 104 ? -11.098 15.467 -52.080 1.00 56.15 ? 104 PRO B CG 1 ATOM 5067 C CD . PRO B 1 104 ? -9.984 14.779 -52.812 1.00 50.88 ? 104 PRO B CD 1 ATOM 5068 N N . TYR B 1 105 ? -13.981 12.855 -54.532 1.00 56.44 ? 105 TYR B N 1 ATOM 5069 C CA . TYR B 1 105 ? -14.781 12.615 -55.731 1.00 58.45 ? 105 TYR B CA 1 ATOM 5070 C C . TYR B 1 105 ? -16.022 13.546 -55.618 1.00 66.77 ? 105 TYR B C 1 ATOM 5071 O O . TYR B 1 105 ? -16.793 13.399 -54.668 1.00 66.50 ? 105 TYR B O 1 ATOM 5072 C CB . TYR B 1 105 ? -15.185 11.135 -55.859 1.00 59.40 ? 105 TYR B CB 1 ATOM 5073 C CG . TYR B 1 105 ? -15.969 10.798 -57.110 1.00 62.72 ? 105 TYR B CG 1 ATOM 5074 C CD1 . TYR B 1 105 ? -17.327 11.108 -57.212 1.00 66.94 ? 105 TYR B CD1 1 ATOM 5075 C CD2 . TYR B 1 105 ? -15.374 10.118 -58.168 1.00 62.96 ? 105 TYR B CD2 1 ATOM 5076 C CE1 . TYR B 1 105 ? -18.054 10.803 -58.362 1.00 69.18 ? 105 TYR B CE1 1 ATOM 5077 C CE2 . TYR B 1 105 ? -16.097 9.790 -59.314 1.00 65.53 ? 105 TYR B CE2 1 ATOM 5078 C CZ . TYR B 1 105 ? -17.438 10.136 -59.408 1.00 76.42 ? 105 TYR B CZ 1 ATOM 5079 O OH . TYR B 1 105 ? -18.159 9.826 -60.537 1.00 78.42 ? 105 TYR B OH 1 ATOM 5080 N N . PRO B 1 106 ? -16.227 14.528 -56.526 1.00 67.27 ? 106 PRO B N 1 ATOM 5081 C CA . PRO B 1 106 ? -15.388 14.874 -57.693 1.00 67.59 ? 106 PRO B CA 1 ATOM 5082 C C . PRO B 1 106 ? -14.064 15.502 -57.263 1.00 70.25 ? 106 PRO B C 1 ATOM 5083 O O . PRO B 1 106 ? -13.950 15.934 -56.122 1.00 67.65 ? 106 PRO B O 1 ATOM 5084 C CB . PRO B 1 106 ? -16.283 15.846 -58.481 1.00 71.35 ? 106 PRO B CB 1 ATOM 5085 C CG . PRO B 1 106 ? -17.121 16.514 -57.417 1.00 76.03 ? 106 PRO B CG 1 ATOM 5086 C CD . PRO B 1 106 ? -17.395 15.430 -56.408 1.00 70.89 ? 106 PRO B CD 1 ATOM 5087 N N . ARG B 1 107 ? -13.071 15.544 -58.172 1.00 68.47 ? 107 ARG B N 1 ATOM 5088 C CA . ARG B 1 107 ? -11.721 16.086 -57.950 1.00 67.04 ? 107 ARG B CA 1 ATOM 5089 C C . ARG B 1 107 ? -11.777 17.491 -57.369 1.00 71.24 ? 107 ARG B C 1 ATOM 5090 O O . ARG B 1 107 ? -12.660 18.248 -57.770 1.00 72.34 ? 107 ARG B O 1 ATOM 5091 C CB . ARG B 1 107 ? -10.931 16.101 -59.272 1.00 67.04 ? 107 ARG B CB 1 ATOM 5092 C CG . ARG B 1 107 ? -9.629 15.330 -59.199 1.00 78.60 ? 107 ARG B CG 1 ATOM 5093 C CD . ARG B 1 107 ? -8.919 15.303 -60.539 1.00 85.85 ? 107 ARG B CD 1 ATOM 5094 N NE . ARG B 1 107 ? -9.500 14.316 -61.447 1.00 86.83 ? 107 ARG B NE 1 ATOM 5095 C CZ . ARG B 1 107 ? -9.342 14.328 -62.767 1.00 98.22 ? 107 ARG B CZ 1 ATOM 5096 N NH1 . ARG B 1 107 ? -9.913 13.398 -63.517 1.00 87.39 ? 107 ARG B NH1 1 ATOM 5097 N NH2 . ARG B 1 107 ? -8.596 15.261 -63.345 1.00 83.84 ? 107 ARG B NH2 1 ATOM 5098 N N . PRO B 1 108 ? -10.877 17.885 -56.440 1.00 66.89 ? 108 PRO B N 1 ATOM 5099 C CA . PRO B 1 108 ? -10.959 19.255 -55.902 1.00 67.92 ? 108 PRO B CA 1 ATOM 5100 C C . PRO B 1 108 ? -10.933 20.349 -56.971 1.00 74.71 ? 108 PRO B C 1 ATOM 5101 O O . PRO B 1 108 ? -10.149 20.266 -57.927 1.00 74.33 ? 108 PRO B O 1 ATOM 5102 C CB . PRO B 1 108 ? -9.741 19.355 -54.989 1.00 67.23 ? 108 PRO B CB 1 ATOM 5103 C CG . PRO B 1 108 ? -9.407 17.971 -54.630 1.00 69.77 ? 108 PRO B CG 1 ATOM 5104 C CD . PRO B 1 108 ? -9.763 17.134 -55.824 1.00 65.97 ? 108 PRO B CD 1 ATOM 5105 N N . ALA B 1 109 ? -11.799 21.368 -56.787 1.00 73.89 ? 109 ALA B N 1 ATOM 5106 C CA . ALA B 1 109 ? -11.945 22.533 -57.667 1.00 75.72 ? 109 ALA B CA 1 ATOM 5107 C C . ALA B 1 109 ? -10.727 23.467 -57.564 1.00 77.92 ? 109 ALA B C 1 ATOM 5108 O O . ALA B 1 109 ? -10.288 24.023 -58.575 1.00 78.86 ? 109 ALA B O 1 ATOM 5109 C CB . ALA B 1 109 ? -13.219 23.289 -57.317 1.00 78.47 ? 109 ALA B CB 1 ATOM 5110 N N . SER B 1 110 ? -10.181 23.619 -56.345 1.00 71.19 ? 110 SER B N 1 ATOM 5111 C CA . SER B 1 110 ? -9.007 24.452 -56.068 1.00 69.00 ? 110 SER B CA 1 ATOM 5112 C C . SER B 1 110 ? -7.836 23.597 -55.531 1.00 66.82 ? 110 SER B C 1 ATOM 5113 O O . SER B 1 110 ? -8.101 22.545 -54.937 1.00 64.08 ? 110 SER B O 1 ATOM 5114 C CB . SER B 1 110 ? -9.369 25.558 -55.079 1.00 72.88 ? 110 SER B CB 1 ATOM 5115 O OG . SER B 1 110 ? -9.898 25.017 -53.881 1.00 81.14 ? 110 SER B OG 1 ATOM 5116 N N . PRO B 1 111 ? -6.551 24.014 -55.727 1.00 60.80 ? 111 PRO B N 1 ATOM 5117 C CA . PRO B 1 111 ? -5.417 23.214 -55.202 1.00 57.79 ? 111 PRO B CA 1 ATOM 5118 C C . PRO B 1 111 ? -5.538 22.881 -53.713 1.00 59.56 ? 111 PRO B C 1 ATOM 5119 O O . PRO B 1 111 ? -5.754 23.761 -52.876 1.00 59.58 ? 111 PRO B O 1 ATOM 5120 C CB . PRO B 1 111 ? -4.193 24.079 -55.513 1.00 59.34 ? 111 PRO B CB 1 ATOM 5121 C CG . PRO B 1 111 ? -4.620 24.913 -56.696 1.00 65.43 ? 111 PRO B CG 1 ATOM 5122 C CD . PRO B 1 111 ? -6.068 25.217 -56.438 1.00 62.61 ? 111 PRO B CD 1 ATOM 5123 N N . THR B 1 112 ? -5.465 21.583 -53.408 1.00 54.25 ? 112 THR B N 1 ATOM 5124 C CA . THR B 1 112 ? -5.639 21.008 -52.077 1.00 52.40 ? 112 THR B CA 1 ATOM 5125 C C . THR B 1 112 ? -4.312 20.550 -51.458 1.00 53.29 ? 112 THR B C 1 ATOM 5126 O O . THR B 1 112 ? -3.544 19.865 -52.139 1.00 50.95 ? 112 THR B O 1 ATOM 5127 C CB . THR B 1 112 ? -6.606 19.819 -52.206 1.00 62.31 ? 112 THR B CB 1 ATOM 5128 O OG1 . THR B 1 112 ? -7.811 20.299 -52.787 1.00 71.41 ? 112 THR B OG1 1 ATOM 5129 C CG2 . THR B 1 112 ? -6.929 19.179 -50.884 1.00 58.27 ? 112 THR B CG2 1 ATOM 5130 N N . PRO B 1 113 ? -4.073 20.816 -50.145 1.00 48.69 ? 113 PRO B N 1 ATOM 5131 C CA . PRO B 1 113 ? -2.846 20.306 -49.502 1.00 46.17 ? 113 PRO B CA 1 ATOM 5132 C C . PRO B 1 113 ? -2.689 18.797 -49.654 1.00 46.74 ? 113 PRO B C 1 ATOM 5133 O O . PRO B 1 113 ? -3.663 18.046 -49.586 1.00 46.31 ? 113 PRO B O 1 ATOM 5134 C CB . PRO B 1 113 ? -3.025 20.715 -48.040 1.00 47.28 ? 113 PRO B CB 1 ATOM 5135 C CG . PRO B 1 113 ? -3.884 21.929 -48.111 1.00 53.34 ? 113 PRO B CG 1 ATOM 5136 C CD . PRO B 1 113 ? -4.878 21.601 -49.185 1.00 50.28 ? 113 PRO B CD 1 ATOM 5137 N N . VAL B 1 114 ? -1.457 18.373 -49.907 1.00 40.09 ? 114 VAL B N 1 ATOM 5138 C CA . VAL B 1 114 ? -1.106 16.976 -50.146 1.00 38.33 ? 114 VAL B CA 1 ATOM 5139 C C . VAL B 1 114 ? -0.446 16.368 -48.907 1.00 42.05 ? 114 VAL B C 1 ATOM 5140 O O . VAL B 1 114 ? 0.448 16.980 -48.322 1.00 40.67 ? 114 VAL B O 1 ATOM 5141 C CB . VAL B 1 114 ? -0.183 16.852 -51.404 1.00 40.30 ? 114 VAL B CB 1 ATOM 5142 C CG1 . VAL B 1 114 ? 0.275 15.408 -51.640 1.00 38.76 ? 114 VAL B CG1 1 ATOM 5143 C CG2 . VAL B 1 114 ? -0.865 17.408 -52.651 1.00 40.10 ? 114 VAL B CG2 1 ATOM 5144 N N . LEU B 1 115 ? -0.872 15.157 -48.521 1.00 38.56 ? 115 LEU B N 1 ATOM 5145 C CA . LEU B 1 115 ? -0.232 14.399 -47.440 1.00 37.51 ? 115 LEU B CA 1 ATOM 5146 C C . LEU B 1 115 ? 0.450 13.204 -48.107 1.00 39.49 ? 115 LEU B C 1 ATOM 5147 O O . LEU B 1 115 ? -0.204 12.491 -48.872 1.00 39.09 ? 115 LEU B O 1 ATOM 5148 C CB . LEU B 1 115 ? -1.266 13.893 -46.421 1.00 38.84 ? 115 LEU B CB 1 ATOM 5149 C CG . LEU B 1 115 ? -1.639 14.816 -45.243 1.00 45.47 ? 115 LEU B CG 1 ATOM 5150 C CD1 . LEU B 1 115 ? -2.897 14.325 -44.580 1.00 46.96 ? 115 LEU B CD1 1 ATOM 5151 C CD2 . LEU B 1 115 ? -0.566 14.784 -44.164 1.00 49.22 ? 115 LEU B CD2 1 ATOM 5152 N N . ILE B 1 116 ? 1.761 12.999 -47.856 1.00 35.23 ? 116 ILE B N 1 ATOM 5153 C CA . ILE B 1 116 ? 2.480 11.863 -48.432 1.00 33.80 ? 116 ILE B CA 1 ATOM 5154 C C . ILE B 1 116 ? 2.879 10.913 -47.292 1.00 36.11 ? 116 ILE B C 1 ATOM 5155 O O . ILE B 1 116 ? 3.669 11.299 -46.425 1.00 34.21 ? 116 ILE B O 1 ATOM 5156 C CB . ILE B 1 116 ? 3.709 12.267 -49.288 1.00 35.91 ? 116 ILE B CB 1 ATOM 5157 C CG1 . ILE B 1 116 ? 3.359 13.293 -50.381 1.00 36.64 ? 116 ILE B CG1 1 ATOM 5158 C CG2 . ILE B 1 116 ? 4.382 11.010 -49.873 1.00 35.67 ? 116 ILE B CG2 1 ATOM 5159 C CD1 . ILE B 1 116 ? 4.589 13.695 -51.297 1.00 36.43 ? 116 ILE B CD1 1 ATOM 5160 N N . TRP B 1 117 ? 2.356 9.678 -47.320 1.00 32.82 ? 117 TRP B N 1 ATOM 5161 C CA . TRP B 1 117 ? 2.627 8.658 -46.312 1.00 32.62 ? 117 TRP B CA 1 ATOM 5162 C C . TRP B 1 117 ? 3.848 7.821 -46.668 1.00 37.19 ? 117 TRP B C 1 ATOM 5163 O O . TRP B 1 117 ? 3.946 7.326 -47.791 1.00 34.50 ? 117 TRP B O 1 ATOM 5164 C CB . TRP B 1 117 ? 1.410 7.731 -46.139 1.00 31.50 ? 117 TRP B CB 1 ATOM 5165 C CG . TRP B 1 117 ? 1.644 6.600 -45.174 1.00 32.01 ? 117 TRP B CG 1 ATOM 5166 C CD1 . TRP B 1 117 ? 1.776 5.276 -45.479 1.00 34.58 ? 117 TRP B CD1 1 ATOM 5167 C CD2 . TRP B 1 117 ? 1.815 6.709 -43.752 1.00 31.76 ? 117 TRP B CD2 1 ATOM 5168 N NE1 . TRP B 1 117 ? 2.000 4.549 -44.334 1.00 34.30 ? 117 TRP B NE1 1 ATOM 5169 C CE2 . TRP B 1 117 ? 2.028 5.406 -43.255 1.00 35.65 ? 117 TRP B CE2 1 ATOM 5170 C CE3 . TRP B 1 117 ? 1.776 7.785 -42.838 1.00 32.96 ? 117 TRP B CE3 1 ATOM 5171 C CZ2 . TRP B 1 117 ? 2.180 5.143 -41.881 1.00 34.21 ? 117 TRP B CZ2 1 ATOM 5172 C CZ3 . TRP B 1 117 ? 1.883 7.517 -41.478 1.00 33.83 ? 117 TRP B CZ3 1 ATOM 5173 C CH2 . TRP B 1 117 ? 2.093 6.214 -41.012 1.00 34.64 ? 117 TRP B CH2 1 ATOM 5174 N N . ILE B 1 118 ? 4.775 7.657 -45.687 1.00 35.31 ? 118 ILE B N 1 ATOM 5175 C CA . ILE B 1 118 ? 5.958 6.800 -45.818 1.00 33.66 ? 118 ILE B CA 1 ATOM 5176 C C . ILE B 1 118 ? 5.817 5.732 -44.739 1.00 36.16 ? 118 ILE B C 1 ATOM 5177 O O . ILE B 1 118 ? 5.941 6.047 -43.568 1.00 33.43 ? 118 ILE B O 1 ATOM 5178 C CB . ILE B 1 118 ? 7.311 7.564 -45.707 1.00 35.96 ? 118 ILE B CB 1 ATOM 5179 C CG1 . ILE B 1 118 ? 7.373 8.755 -46.727 1.00 36.07 ? 118 ILE B CG1 1 ATOM 5180 C CG2 . ILE B 1 118 ? 8.483 6.565 -45.891 1.00 33.70 ? 118 ILE B CG2 1 ATOM 5181 C CD1 . ILE B 1 118 ? 8.598 9.658 -46.634 1.00 34.04 ? 118 ILE B CD1 1 ATOM 5182 N N . TYR B 1 119 ? 5.530 4.487 -45.122 1.00 33.74 ? 119 TYR B N 1 ATOM 5183 C CA . TYR B 1 119 ? 5.350 3.405 -44.143 1.00 33.87 ? 119 TYR B CA 1 ATOM 5184 C C . TYR B 1 119 ? 6.628 3.056 -43.388 1.00 37.04 ? 119 TYR B C 1 ATOM 5185 O O . TYR B 1 119 ? 7.727 3.316 -43.885 1.00 33.82 ? 119 TYR B O 1 ATOM 5186 C CB . TYR B 1 119 ? 4.790 2.126 -44.817 1.00 34.65 ? 119 TYR B CB 1 ATOM 5187 C CG . TYR B 1 119 ? 5.610 1.566 -45.969 1.00 35.23 ? 119 TYR B CG 1 ATOM 5188 C CD1 . TYR B 1 119 ? 6.754 0.797 -45.736 1.00 37.14 ? 119 TYR B CD1 1 ATOM 5189 C CD2 . TYR B 1 119 ? 5.169 1.685 -47.283 1.00 34.74 ? 119 TYR B CD2 1 ATOM 5190 C CE1 . TYR B 1 119 ? 7.491 0.251 -46.794 1.00 35.92 ? 119 TYR B CE1 1 ATOM 5191 C CE2 . TYR B 1 119 ? 5.895 1.139 -48.348 1.00 34.39 ? 119 TYR B CE2 1 ATOM 5192 C CZ . TYR B 1 119 ? 7.051 0.423 -48.100 1.00 35.85 ? 119 TYR B CZ 1 ATOM 5193 O OH . TYR B 1 119 ? 7.729 -0.136 -49.162 1.00 34.71 ? 119 TYR B OH 1 ATOM 5194 N N . GLY B 1 120 ? 6.453 2.420 -42.230 1.00 35.56 ? 120 GLY B N 1 ATOM 5195 C CA . GLY B 1 120 ? 7.535 1.868 -41.420 1.00 35.84 ? 120 GLY B CA 1 ATOM 5196 C C . GLY B 1 120 ? 7.660 0.366 -41.634 1.00 37.69 ? 120 GLY B C 1 ATOM 5197 O O . GLY B 1 120 ? 7.029 -0.199 -42.532 1.00 35.85 ? 120 GLY B O 1 ATOM 5198 N N . GLY B 1 121 ? 8.442 -0.282 -40.778 1.00 34.63 ? 121 GLY B N 1 ATOM 5199 C CA . GLY B 1 121 ? 8.730 -1.709 -40.867 1.00 34.30 ? 121 GLY B CA 1 ATOM 5200 C C . GLY B 1 121 ? 10.213 -2.031 -40.810 1.00 37.79 ? 121 GLY B C 1 ATOM 5201 O O . GLY B 1 121 ? 10.670 -2.983 -41.450 1.00 37.22 ? 121 GLY B O 1 ATOM 5202 N N . GLY B 1 122 ? 10.949 -1.234 -40.025 1.00 35.32 ? 122 GLY B N 1 ATOM 5203 C CA . GLY B 1 122 ? 12.374 -1.351 -39.723 1.00 34.77 ? 122 GLY B CA 1 ATOM 5204 C C . GLY B 1 122 ? 13.302 -1.320 -40.920 1.00 40.28 ? 122 GLY B C 1 ATOM 5205 O O . GLY B 1 122 ? 14.416 -1.832 -40.836 1.00 40.94 ? 122 GLY B O 1 ATOM 5206 N N . PHE B 1 123 ? 12.859 -0.701 -42.047 1.00 36.47 ? 123 PHE B N 1 ATOM 5207 C CA . PHE B 1 123 ? 13.594 -0.640 -43.323 1.00 35.27 ? 123 PHE B CA 1 ATOM 5208 C C . PHE B 1 123 ? 13.753 -2.013 -43.969 1.00 39.03 ? 123 PHE B C 1 ATOM 5209 O O . PHE B 1 123 ? 14.528 -2.131 -44.915 1.00 39.99 ? 123 PHE B O 1 ATOM 5210 C CB . PHE B 1 123 ? 14.969 0.058 -43.184 1.00 35.69 ? 123 PHE B CB 1 ATOM 5211 C CG . PHE B 1 123 ? 14.887 1.520 -42.832 1.00 34.97 ? 123 PHE B CG 1 ATOM 5212 C CD1 . PHE B 1 123 ? 14.449 2.454 -43.768 1.00 36.62 ? 123 PHE B CD1 1 ATOM 5213 C CD2 . PHE B 1 123 ? 15.246 1.967 -41.564 1.00 34.51 ? 123 PHE B CD2 1 ATOM 5214 C CE1 . PHE B 1 123 ? 14.366 3.808 -43.437 1.00 35.93 ? 123 PHE B CE1 1 ATOM 5215 C CE2 . PHE B 1 123 ? 15.211 3.326 -41.248 1.00 36.06 ? 123 PHE B CE2 1 ATOM 5216 C CZ . PHE B 1 123 ? 14.764 4.237 -42.183 1.00 33.73 ? 123 PHE B CZ 1 ATOM 5217 N N . TYR B 1 124 ? 13.056 -3.056 -43.457 1.00 34.98 ? 124 TYR B N 1 ATOM 5218 C CA . TYR B 1 124 ? 13.152 -4.420 -44.010 1.00 35.25 ? 124 TYR B CA 1 ATOM 5219 C C . TYR B 1 124 ? 11.780 -4.927 -44.456 1.00 39.36 ? 124 TYR B C 1 ATOM 5220 O O . TYR B 1 124 ? 11.678 -6.009 -45.023 1.00 40.42 ? 124 TYR B O 1 ATOM 5221 C CB . TYR B 1 124 ? 13.810 -5.395 -42.992 1.00 37.14 ? 124 TYR B CB 1 ATOM 5222 C CG . TYR B 1 124 ? 12.926 -5.795 -41.821 1.00 37.92 ? 124 TYR B CG 1 ATOM 5223 C CD1 . TYR B 1 124 ? 12.076 -6.894 -41.910 1.00 39.96 ? 124 TYR B CD1 1 ATOM 5224 C CD2 . TYR B 1 124 ? 12.992 -5.118 -40.605 1.00 37.82 ? 124 TYR B CD2 1 ATOM 5225 C CE1 . TYR B 1 124 ? 11.235 -7.245 -40.860 1.00 40.80 ? 124 TYR B CE1 1 ATOM 5226 C CE2 . TYR B 1 124 ? 12.181 -5.486 -39.526 1.00 39.60 ? 124 TYR B CE2 1 ATOM 5227 C CZ . TYR B 1 124 ? 11.288 -6.541 -39.669 1.00 49.22 ? 124 TYR B CZ 1 ATOM 5228 O OH . TYR B 1 124 ? 10.489 -6.941 -38.629 1.00 48.67 ? 124 TYR B OH 1 ATOM 5229 N N . SER B 1 125 ? 10.723 -4.154 -44.190 1.00 34.60 ? 125 SER B N 1 ATOM 5230 C CA . SER B 1 125 ? 9.370 -4.589 -44.502 1.00 34.19 ? 125 SER B CA 1 ATOM 5231 C C . SER B 1 125 ? 8.446 -3.398 -44.666 1.00 36.52 ? 125 SER B C 1 ATOM 5232 O O . SER B 1 125 ? 8.855 -2.255 -44.461 1.00 34.46 ? 125 SER B O 1 ATOM 5233 C CB . SER B 1 125 ? 8.860 -5.506 -43.382 1.00 37.17 ? 125 SER B CB 1 ATOM 5234 O OG . SER B 1 125 ? 8.770 -4.791 -42.157 1.00 39.13 ? 125 SER B OG 1 ATOM 5235 N N . GLY B 1 126 ? 7.200 -3.698 -45.016 1.00 35.71 ? 126 GLY B N 1 ATOM 5236 C CA . GLY B 1 126 ? 6.133 -2.727 -45.199 1.00 35.32 ? 126 GLY B CA 1 ATOM 5237 C C . GLY B 1 126 ? 5.644 -2.620 -46.617 1.00 38.52 ? 126 GLY B C 1 ATOM 5238 O O . GLY B 1 126 ? 6.296 -3.091 -47.555 1.00 38.50 ? 126 GLY B O 1 ATOM 5239 N N . ALA B 1 127 ? 4.481 -1.984 -46.773 1.00 36.46 ? 127 ALA B N 1 ATOM 5240 C CA . ALA B 1 127 ? 3.813 -1.797 -48.075 1.00 36.27 ? 127 ALA B CA 1 ATOM 5241 C C . ALA B 1 127 ? 2.840 -0.652 -47.945 1.00 40.14 ? 127 ALA B C 1 ATOM 5242 O O . ALA B 1 127 ? 2.256 -0.474 -46.878 1.00 39.37 ? 127 ALA B O 1 ATOM 5243 C CB . ALA B 1 127 ? 3.059 -3.063 -48.471 1.00 37.50 ? 127 ALA B CB 1 ATOM 5244 N N . ALA B 1 128 ? 2.657 0.124 -49.023 1.00 37.85 ? 128 ALA B N 1 ATOM 5245 C CA . ALA B 1 128 ? 1.709 1.240 -49.017 1.00 38.06 ? 128 ALA B CA 1 ATOM 5246 C C . ALA B 1 128 ? 0.263 0.720 -49.176 1.00 42.13 ? 128 ALA B C 1 ATOM 5247 O O . ALA B 1 128 ? -0.690 1.481 -49.009 1.00 42.16 ? 128 ALA B O 1 ATOM 5248 C CB . ALA B 1 128 ? 2.044 2.200 -50.140 1.00 38.48 ? 128 ALA B CB 1 ATOM 5249 N N . SER B 1 129 ? 0.108 -0.591 -49.457 1.00 38.88 ? 129 SER B N 1 ATOM 5250 C CA . SER B 1 129 ? -1.177 -1.245 -49.710 1.00 39.33 ? 129 SER B CA 1 ATOM 5251 C C . SER B 1 129 ? -1.882 -1.804 -48.463 1.00 44.55 ? 129 SER B C 1 ATOM 5252 O O . SER B 1 129 ? -2.984 -2.347 -48.592 1.00 44.71 ? 129 SER B O 1 ATOM 5253 C CB . SER B 1 129 ? -1.013 -2.339 -50.761 1.00 41.67 ? 129 SER B CB 1 ATOM 5254 O OG . SER B 1 129 ? -0.035 -3.297 -50.399 1.00 46.41 ? 129 SER B OG 1 ATOM 5255 N N . LEU B 1 130 ? -1.264 -1.693 -47.270 1.00 41.69 ? 130 LEU B N 1 ATOM 5256 C CA . LEU B 1 130 ? -1.900 -2.205 -46.044 1.00 43.21 ? 130 LEU B CA 1 ATOM 5257 C C . LEU B 1 130 ? -3.201 -1.476 -45.739 1.00 46.37 ? 130 LEU B C 1 ATOM 5258 O O . LEU B 1 130 ? -3.308 -0.279 -46.004 1.00 45.49 ? 130 LEU B O 1 ATOM 5259 C CB . LEU B 1 130 ? -0.964 -2.147 -44.825 1.00 42.85 ? 130 LEU B CB 1 ATOM 5260 C CG . LEU B 1 130 ? 0.426 -2.815 -44.970 1.00 47.72 ? 130 LEU B CG 1 ATOM 5261 C CD1 . LEU B 1 130 ? 1.160 -2.799 -43.650 1.00 47.94 ? 130 LEU B CD1 1 ATOM 5262 C CD2 . LEU B 1 130 ? 0.331 -4.257 -45.505 1.00 48.26 ? 130 LEU B CD2 1 ATOM 5263 N N . ASP B 1 131 ? -4.199 -2.209 -45.222 1.00 43.40 ? 131 ASP B N 1 ATOM 5264 C CA . ASP B 1 131 ? -5.510 -1.665 -44.847 1.00 44.01 ? 131 ASP B CA 1 ATOM 5265 C C . ASP B 1 131 ? -5.436 -0.451 -43.931 1.00 47.09 ? 131 ASP B C 1 ATOM 5266 O O . ASP B 1 131 ? -6.281 0.428 -44.062 1.00 46.99 ? 131 ASP B O 1 ATOM 5267 C CB . ASP B 1 131 ? -6.384 -2.742 -44.170 1.00 46.82 ? 131 ASP B CB 1 ATOM 5268 C CG . ASP B 1 131 ? -6.830 -3.888 -45.050 1.00 56.18 ? 131 ASP B CG 1 ATOM 5269 O OD1 . ASP B 1 131 ? -6.672 -3.786 -46.297 1.00 55.94 ? 131 ASP B OD1 1 ATOM 5270 O OD2 . ASP B 1 131 ? -7.343 -4.882 -44.501 1.00 63.14 ? 131 ASP B OD2 1 ATOM 5271 N N . VAL B 1 132 ? -4.454 -0.403 -42.998 1.00 43.78 ? 132 VAL B N 1 ATOM 5272 C CA . VAL B 1 132 ? -4.328 0.717 -42.043 1.00 43.42 ? 132 VAL B CA 1 ATOM 5273 C C . VAL B 1 132 ? -3.815 1.992 -42.681 1.00 45.34 ? 132 VAL B C 1 ATOM 5274 O O . VAL B 1 132 ? -3.882 3.037 -42.032 1.00 43.65 ? 132 VAL B O 1 ATOM 5275 C CB . VAL B 1 132 ? -3.521 0.385 -40.765 1.00 47.51 ? 132 VAL B CB 1 ATOM 5276 C CG1 . VAL B 1 132 ? -4.363 -0.455 -39.823 1.00 49.83 ? 132 VAL B CG1 1 ATOM 5277 C CG2 . VAL B 1 132 ? -2.190 -0.289 -41.090 1.00 46.06 ? 132 VAL B CG2 1 ATOM 5278 N N . TYR B 1 133 ? -3.278 1.909 -43.933 1.00 41.67 ? 133 TYR B N 1 ATOM 5279 C CA . TYR B 1 133 ? -2.749 3.066 -44.665 1.00 40.61 ? 133 TYR B CA 1 ATOM 5280 C C . TYR B 1 133 ? -3.740 3.534 -45.731 1.00 43.84 ? 133 TYR B C 1 ATOM 5281 O O . TYR B 1 133 ? -3.382 4.324 -46.603 1.00 42.09 ? 133 TYR B O 1 ATOM 5282 C CB . TYR B 1 133 ? -1.380 2.752 -45.305 1.00 40.90 ? 133 TYR B CB 1 ATOM 5283 C CG . TYR B 1 133 ? -0.335 2.155 -44.383 1.00 40.27 ? 133 TYR B CG 1 ATOM 5284 C CD1 . TYR B 1 133 ? -0.278 2.508 -43.036 1.00 40.60 ? 133 TYR B CD1 1 ATOM 5285 C CD2 . TYR B 1 133 ? 0.640 1.287 -44.871 1.00 39.73 ? 133 TYR B CD2 1 ATOM 5286 C CE1 . TYR B 1 133 ? 0.677 1.956 -42.186 1.00 39.38 ? 133 TYR B CE1 1 ATOM 5287 C CE2 . TYR B 1 133 ? 1.617 0.749 -44.032 1.00 39.58 ? 133 TYR B CE2 1 ATOM 5288 C CZ . TYR B 1 133 ? 1.635 1.089 -42.690 1.00 41.87 ? 133 TYR B CZ 1 ATOM 5289 O OH . TYR B 1 133 ? 2.586 0.560 -41.853 1.00 36.51 ? 133 TYR B OH 1 ATOM 5290 N N . ASP B 1 134 ? -4.985 3.055 -45.659 1.00 41.51 ? 134 ASP B N 1 ATOM 5291 C CA . ASP B 1 134 ? -6.052 3.390 -46.609 1.00 41.30 ? 134 ASP B CA 1 ATOM 5292 C C . ASP B 1 134 ? -6.391 4.902 -46.565 1.00 44.76 ? 134 ASP B C 1 ATOM 5293 O O . ASP B 1 134 ? -6.980 5.363 -45.591 1.00 43.39 ? 134 ASP B O 1 ATOM 5294 C CB . ASP B 1 134 ? -7.287 2.535 -46.285 1.00 44.28 ? 134 ASP B CB 1 ATOM 5295 C CG . ASP B 1 134 ? -8.458 2.651 -47.231 1.00 51.88 ? 134 ASP B CG 1 ATOM 5296 O OD1 . ASP B 1 134 ? -8.430 3.534 -48.108 1.00 51.21 ? 134 ASP B OD1 1 ATOM 5297 O OD2 . ASP B 1 134 ? -9.407 1.872 -47.083 1.00 61.11 ? 134 ASP B OD2 1 ATOM 5298 N N . GLY B 1 135 ? -6.032 5.644 -47.617 1.00 41.68 ? 135 GLY B N 1 ATOM 5299 C CA . GLY B 1 135 ? -6.256 7.090 -47.682 1.00 41.33 ? 135 GLY B CA 1 ATOM 5300 C C . GLY B 1 135 ? -7.655 7.589 -48.016 1.00 46.41 ? 135 GLY B C 1 ATOM 5301 O O . GLY B 1 135 ? -7.840 8.801 -48.151 1.00 47.19 ? 135 GLY B O 1 ATOM 5302 N N . ARG B 1 136 ? -8.653 6.689 -48.150 1.00 44.40 ? 136 ARG B N 1 ATOM 5303 C CA . ARG B 1 136 ? -10.028 7.055 -48.539 1.00 46.07 ? 136 ARG B CA 1 ATOM 5304 C C . ARG B 1 136 ? -10.778 7.907 -47.502 1.00 50.53 ? 136 ARG B C 1 ATOM 5305 O O . ARG B 1 136 ? -11.567 8.764 -47.899 1.00 50.95 ? 136 ARG B O 1 ATOM 5306 C CB . ARG B 1 136 ? -10.858 5.810 -48.944 1.00 46.27 ? 136 ARG B CB 1 ATOM 5307 C CG . ARG B 1 136 ? -11.541 5.044 -47.797 1.00 52.56 ? 136 ARG B CG 1 ATOM 5308 C CD . ARG B 1 136 ? -12.404 3.893 -48.309 1.00 56.69 ? 136 ARG B CD 1 ATOM 5309 N NE . ARG B 1 136 ? -11.557 2.852 -48.886 1.00 59.33 ? 136 ARG B NE 1 ATOM 5310 C CZ . ARG B 1 136 ? -11.956 1.872 -49.692 1.00 69.15 ? 136 ARG B CZ 1 ATOM 5311 N NH1 . ARG B 1 136 ? -13.231 1.769 -50.050 1.00 59.36 ? 136 ARG B NH1 1 ATOM 5312 N NH2 . ARG B 1 136 ? -11.084 0.982 -50.136 1.00 51.34 ? 136 ARG B NH2 1 ATOM 5313 N N . PHE B 1 137 ? -10.545 7.684 -46.196 1.00 47.46 ? 137 PHE B N 1 ATOM 5314 C CA . PHE B 1 137 ? -11.235 8.436 -45.136 1.00 48.32 ? 137 PHE B CA 1 ATOM 5315 C C . PHE B 1 137 ? -10.740 9.870 -45.081 1.00 49.37 ? 137 PHE B C 1 ATOM 5316 O O . PHE B 1 137 ? -11.557 10.785 -45.029 1.00 48.27 ? 137 PHE B O 1 ATOM 5317 C CB . PHE B 1 137 ? -11.119 7.741 -43.764 1.00 50.49 ? 137 PHE B CB 1 ATOM 5318 C CG . PHE B 1 137 ? -11.435 6.263 -43.834 1.00 53.50 ? 137 PHE B CG 1 ATOM 5319 C CD1 . PHE B 1 137 ? -12.756 5.816 -43.861 1.00 58.43 ? 137 PHE B CD1 1 ATOM 5320 C CD2 . PHE B 1 137 ? -10.415 5.320 -43.913 1.00 54.11 ? 137 PHE B CD2 1 ATOM 5321 C CE1 . PHE B 1 137 ? -13.045 4.454 -43.965 1.00 59.87 ? 137 PHE B CE1 1 ATOM 5322 C CE2 . PHE B 1 137 ? -10.706 3.962 -44.005 1.00 57.95 ? 137 PHE B CE2 1 ATOM 5323 C CZ . PHE B 1 137 ? -12.018 3.537 -44.035 1.00 58.07 ? 137 PHE B CZ 1 ATOM 5324 N N . LEU B 1 138 ? -9.409 10.072 -45.166 1.00 44.00 ? 138 LEU B N 1 ATOM 5325 C CA . LEU B 1 138 ? -8.833 11.420 -45.166 1.00 43.07 ? 138 LEU B CA 1 ATOM 5326 C C . LEU B 1 138 ? -9.253 12.191 -46.405 1.00 47.82 ? 138 LEU B C 1 ATOM 5327 O O . LEU B 1 138 ? -9.582 13.373 -46.294 1.00 46.68 ? 138 LEU B O 1 ATOM 5328 C CB . LEU B 1 138 ? -7.306 11.390 -44.998 1.00 40.85 ? 138 LEU B CB 1 ATOM 5329 C CG . LEU B 1 138 ? -6.809 11.019 -43.590 1.00 43.18 ? 138 LEU B CG 1 ATOM 5330 C CD1 . LEU B 1 138 ? -5.395 10.462 -43.635 1.00 42.18 ? 138 LEU B CD1 1 ATOM 5331 C CD2 . LEU B 1 138 ? -6.895 12.211 -42.643 1.00 42.19 ? 138 LEU B CD2 1 ATOM 5332 N N . ALA B 1 139 ? -9.307 11.505 -47.576 1.00 46.24 ? 139 ALA B N 1 ATOM 5333 C CA . ALA B 1 139 ? -9.749 12.102 -48.846 1.00 46.42 ? 139 ALA B CA 1 ATOM 5334 C C . ALA B 1 139 ? -11.215 12.524 -48.755 1.00 52.71 ? 139 ALA B C 1 ATOM 5335 O O . ALA B 1 139 ? -11.536 13.664 -49.075 1.00 52.38 ? 139 ALA B O 1 ATOM 5336 C CB . ALA B 1 139 ? -9.561 11.119 -49.999 1.00 46.48 ? 139 ALA B CB 1 ATOM 5337 N N . GLN B 1 140 ? -12.100 11.619 -48.292 1.00 50.99 ? 140 GLN B N 1 ATOM 5338 C CA . GLN B 1 140 ? -13.533 11.905 -48.205 1.00 52.13 ? 140 GLN B CA 1 ATOM 5339 C C . GLN B 1 140 ? -13.895 12.917 -47.123 1.00 56.54 ? 140 GLN B C 1 ATOM 5340 O O . GLN B 1 140 ? -14.623 13.868 -47.412 1.00 57.64 ? 140 GLN B O 1 ATOM 5341 C CB . GLN B 1 140 ? -14.339 10.609 -48.000 1.00 54.02 ? 140 GLN B CB 1 ATOM 5342 C CG . GLN B 1 140 ? -15.768 10.646 -48.553 1.00 57.25 ? 140 GLN B CG 1 ATOM 5343 C CD . GLN B 1 140 ? -16.713 11.392 -47.646 1.00 66.54 ? 140 GLN B CD 1 ATOM 5344 O OE1 . GLN B 1 140 ? -16.649 11.277 -46.421 1.00 58.85 ? 140 GLN B OE1 1 ATOM 5345 N NE2 . GLN B 1 140 ? -17.560 12.223 -48.221 1.00 57.58 ? 140 GLN B NE2 1 ATOM 5346 N N . VAL B 1 141 ? -13.464 12.683 -45.876 1.00 52.03 ? 141 VAL B N 1 ATOM 5347 C CA . VAL B 1 141 ? -13.880 13.528 -44.748 1.00 52.28 ? 141 VAL B CA 1 ATOM 5348 C C . VAL B 1 141 ? -13.178 14.890 -44.724 1.00 56.61 ? 141 VAL B C 1 ATOM 5349 O O . VAL B 1 141 ? -13.831 15.905 -44.485 1.00 57.89 ? 141 VAL B O 1 ATOM 5350 C CB . VAL B 1 141 ? -13.738 12.770 -43.401 1.00 55.20 ? 141 VAL B CB 1 ATOM 5351 C CG1 . VAL B 1 141 ? -14.199 13.624 -42.216 1.00 54.66 ? 141 VAL B CG1 1 ATOM 5352 C CG2 . VAL B 1 141 ? -14.514 11.454 -43.444 1.00 55.81 ? 141 VAL B CG2 1 ATOM 5353 N N . GLU B 1 142 ? -11.862 14.913 -44.979 1.00 51.02 ? 142 GLU B N 1 ATOM 5354 C CA . GLU B 1 142 ? -11.063 16.140 -44.894 1.00 49.34 ? 142 GLU B CA 1 ATOM 5355 C C . GLU B 1 142 ? -10.761 16.805 -46.224 1.00 54.35 ? 142 GLU B C 1 ATOM 5356 O O . GLU B 1 142 ? -10.184 17.898 -46.243 1.00 55.31 ? 142 GLU B O 1 ATOM 5357 C CB . GLU B 1 142 ? -9.762 15.864 -44.124 1.00 48.23 ? 142 GLU B CB 1 ATOM 5358 C CG . GLU B 1 142 ? -9.991 15.497 -42.664 1.00 54.01 ? 142 GLU B CG 1 ATOM 5359 C CD . GLU B 1 142 ? -10.703 16.549 -41.832 1.00 68.64 ? 142 GLU B CD 1 ATOM 5360 O OE1 . GLU B 1 142 ? -10.560 17.757 -42.129 1.00 60.32 ? 142 GLU B OE1 1 ATOM 5361 O OE2 . GLU B 1 142 ? -11.426 16.160 -40.888 1.00 63.60 ? 142 GLU B OE2 1 ATOM 5362 N N . GLY B 1 143 ? -11.140 16.161 -47.319 1.00 50.51 ? 143 GLY B N 1 ATOM 5363 C CA . GLY B 1 143 ? -10.893 16.680 -48.657 1.00 50.88 ? 143 GLY B CA 1 ATOM 5364 C C . GLY B 1 143 ? -9.429 16.608 -49.043 1.00 55.00 ? 143 GLY B C 1 ATOM 5365 O O . GLY B 1 143 ? -8.999 17.323 -49.942 1.00 55.71 ? 143 GLY B O 1 ATOM 5366 N N . ALA B 1 144 ? -8.644 15.765 -48.361 1.00 49.39 ? 144 ALA B N 1 ATOM 5367 C CA . ALA B 1 144 ? -7.209 15.656 -48.596 1.00 46.80 ? 144 ALA B CA 1 ATOM 5368 C C . ALA B 1 144 ? -6.852 14.916 -49.885 1.00 49.54 ? 144 ALA B C 1 ATOM 5369 O O . ALA B 1 144 ? -7.597 14.053 -50.343 1.00 48.87 ? 144 ALA B O 1 ATOM 5370 C CB . ALA B 1 144 ? -6.561 14.950 -47.416 1.00 46.30 ? 144 ALA B CB 1 ATOM 5371 N N . VAL B 1 145 ? -5.686 15.246 -50.448 1.00 44.54 ? 145 VAL B N 1 ATOM 5372 C CA . VAL B 1 145 ? -5.075 14.507 -51.535 1.00 42.42 ? 145 VAL B CA 1 ATOM 5373 C C . VAL B 1 145 ? -3.988 13.701 -50.796 1.00 44.45 ? 145 VAL B C 1 ATOM 5374 O O . VAL B 1 145 ? -3.096 14.288 -50.169 1.00 43.03 ? 145 VAL B O 1 ATOM 5375 C CB . VAL B 1 145 ? -4.540 15.374 -52.704 1.00 45.81 ? 145 VAL B CB 1 ATOM 5376 C CG1 . VAL B 1 145 ? -3.615 14.548 -53.622 1.00 44.69 ? 145 VAL B CG1 1 ATOM 5377 C CG2 . VAL B 1 145 ? -5.710 15.952 -53.514 1.00 47.06 ? 145 VAL B CG2 1 ATOM 5378 N N . LEU B 1 146 ? -4.169 12.377 -50.731 1.00 41.90 ? 146 LEU B N 1 ATOM 5379 C CA . LEU B 1 146 ? -3.240 11.497 -50.037 1.00 41.88 ? 146 LEU B CA 1 ATOM 5380 C C . LEU B 1 146 ? -2.414 10.674 -51.016 1.00 43.22 ? 146 LEU B C 1 ATOM 5381 O O . LEU B 1 146 ? -2.972 10.081 -51.929 1.00 42.95 ? 146 LEU B O 1 ATOM 5382 C CB . LEU B 1 146 ? -3.961 10.581 -49.031 1.00 43.44 ? 146 LEU B CB 1 ATOM 5383 C CG . LEU B 1 146 ? -3.025 10.030 -47.937 1.00 49.69 ? 146 LEU B CG 1 ATOM 5384 C CD1 . LEU B 1 146 ? -3.664 10.089 -46.616 1.00 49.94 ? 146 LEU B CD1 1 ATOM 5385 C CD2 . LEU B 1 146 ? -2.528 8.586 -48.269 1.00 51.74 ? 146 LEU B CD2 1 ATOM 5386 N N . VAL B 1 147 ? -1.087 10.642 -50.823 1.00 38.25 ? 147 VAL B N 1 ATOM 5387 C CA . VAL B 1 147 ? -0.177 9.877 -51.678 1.00 36.97 ? 147 VAL B CA 1 ATOM 5388 C C . VAL B 1 147 ? 0.605 8.904 -50.799 1.00 38.93 ? 147 VAL B C 1 ATOM 5389 O O . VAL B 1 147 ? 0.995 9.278 -49.707 1.00 37.99 ? 147 VAL B O 1 ATOM 5390 C CB . VAL B 1 147 ? 0.791 10.802 -52.483 1.00 39.25 ? 147 VAL B CB 1 ATOM 5391 C CG1 . VAL B 1 147 ? 1.676 9.990 -53.453 1.00 37.91 ? 147 VAL B CG1 1 ATOM 5392 C CG2 . VAL B 1 147 ? 0.029 11.894 -53.234 1.00 39.00 ? 147 VAL B CG2 1 ATOM 5393 N N . SER B 1 148 ? 0.848 7.668 -51.271 1.00 35.19 ? 148 SER B N 1 ATOM 5394 C CA . SER B 1 148 ? 1.716 6.729 -50.546 1.00 34.08 ? 148 SER B CA 1 ATOM 5395 C C . SER B 1 148 ? 2.526 5.972 -51.579 1.00 36.96 ? 148 SER B C 1 ATOM 5396 O O . SER B 1 148 ? 2.013 5.660 -52.650 1.00 36.69 ? 148 SER B O 1 ATOM 5397 C CB . SER B 1 148 ? 0.920 5.784 -49.651 1.00 36.70 ? 148 SER B CB 1 ATOM 5398 O OG . SER B 1 148 ? 0.051 4.985 -50.432 1.00 44.72 ? 148 SER B OG 1 ATOM 5399 N N . MET B 1 149 ? 3.801 5.722 -51.306 1.00 33.51 ? 149 MET B N 1 ATOM 5400 C CA . MET B 1 149 ? 4.620 5.003 -52.275 1.00 32.90 ? 149 MET B CA 1 ATOM 5401 C C . MET B 1 149 ? 5.204 3.762 -51.654 1.00 37.98 ? 149 MET B C 1 ATOM 5402 O O . MET B 1 149 ? 5.413 3.696 -50.433 1.00 36.29 ? 149 MET B O 1 ATOM 5403 C CB . MET B 1 149 ? 5.756 5.913 -52.848 1.00 34.23 ? 149 MET B CB 1 ATOM 5404 C CG . MET B 1 149 ? 7.050 6.008 -51.959 1.00 35.89 ? 149 MET B CG 1 ATOM 5405 S SD . MET B 1 149 ? 6.839 6.743 -50.286 1.00 38.14 ? 149 MET B SD 1 ATOM 5406 C CE . MET B 1 149 ? 6.688 8.461 -50.725 1.00 35.57 ? 149 MET B CE 1 ATOM 5407 N N . ASN B 1 150 ? 5.537 2.796 -52.509 1.00 34.83 ? 150 ASN B N 1 ATOM 5408 C CA . ASN B 1 150 ? 6.316 1.658 -52.077 1.00 33.61 ? 150 ASN B CA 1 ATOM 5409 C C . ASN B 1 150 ? 7.759 2.100 -52.300 1.00 36.73 ? 150 ASN B C 1 ATOM 5410 O O . ASN B 1 150 ? 8.055 2.817 -53.268 1.00 35.91 ? 150 ASN B O 1 ATOM 5411 C CB . ASN B 1 150 ? 6.046 0.419 -52.948 1.00 30.59 ? 150 ASN B CB 1 ATOM 5412 C CG . ASN B 1 150 ? 4.818 -0.368 -52.583 1.00 45.58 ? 150 ASN B CG 1 ATOM 5413 O OD1 . ASN B 1 150 ? 4.123 -0.080 -51.608 1.00 39.37 ? 150 ASN B OD1 1 ATOM 5414 N ND2 . ASN B 1 150 ? 4.497 -1.366 -53.409 1.00 43.64 ? 150 ASN B ND2 1 ATOM 5415 N N . TYR B 1 151 ? 8.661 1.664 -51.424 1.00 32.38 ? 151 TYR B N 1 ATOM 5416 C CA . TYR B 1 151 ? 10.088 1.937 -51.583 1.00 32.47 ? 151 TYR B CA 1 ATOM 5417 C C . TYR B 1 151 ? 10.803 0.651 -51.239 1.00 35.49 ? 151 TYR B C 1 ATOM 5418 O O . TYR B 1 151 ? 10.297 -0.112 -50.425 1.00 36.15 ? 151 TYR B O 1 ATOM 5419 C CB . TYR B 1 151 ? 10.557 3.115 -50.698 1.00 32.52 ? 151 TYR B CB 1 ATOM 5420 C CG . TYR B 1 151 ? 10.373 2.908 -49.203 1.00 32.95 ? 151 TYR B CG 1 ATOM 5421 C CD1 . TYR B 1 151 ? 9.211 3.328 -48.556 1.00 33.56 ? 151 TYR B CD1 1 ATOM 5422 C CD2 . TYR B 1 151 ? 11.388 2.344 -48.425 1.00 32.54 ? 151 TYR B CD2 1 ATOM 5423 C CE1 . TYR B 1 151 ? 9.041 3.149 -47.185 1.00 31.08 ? 151 TYR B CE1 1 ATOM 5424 C CE2 . TYR B 1 151 ? 11.223 2.143 -47.055 1.00 32.79 ? 151 TYR B CE2 1 ATOM 5425 C CZ . TYR B 1 151 ? 10.054 2.557 -46.436 1.00 39.58 ? 151 TYR B CZ 1 ATOM 5426 O OH . TYR B 1 151 ? 9.907 2.355 -45.086 1.00 37.99 ? 151 TYR B OH 1 ATOM 5427 N N . ARG B 1 152 ? 11.954 0.395 -51.856 1.00 33.12 ? 152 ARG B N 1 ATOM 5428 C CA . ARG B 1 152 ? 12.718 -0.818 -51.584 1.00 33.41 ? 152 ARG B CA 1 ATOM 5429 C C . ARG B 1 152 ? 13.185 -0.910 -50.129 1.00 37.07 ? 152 ARG B C 1 ATOM 5430 O O . ARG B 1 152 ? 13.636 0.085 -49.538 1.00 34.42 ? 152 ARG B O 1 ATOM 5431 C CB . ARG B 1 152 ? 13.885 -0.946 -52.546 1.00 32.27 ? 152 ARG B CB 1 ATOM 5432 C CG . ARG B 1 152 ? 13.475 -1.369 -53.952 1.00 35.50 ? 152 ARG B CG 1 ATOM 5433 C CD . ARG B 1 152 ? 14.676 -1.256 -54.864 1.00 36.30 ? 152 ARG B CD 1 ATOM 5434 N NE . ARG B 1 152 ? 14.968 0.140 -55.200 1.00 38.41 ? 152 ARG B NE 1 ATOM 5435 C CZ . ARG B 1 152 ? 16.002 0.546 -55.929 1.00 46.33 ? 152 ARG B CZ 1 ATOM 5436 N NH1 . ARG B 1 152 ? 16.899 -0.329 -56.369 1.00 32.31 ? 152 ARG B NH1 1 ATOM 5437 N NH2 . ARG B 1 152 ? 16.153 1.831 -56.215 1.00 31.33 ? 152 ARG B NH2 1 ATOM 5438 N N . VAL B 1 153 ? 13.076 -2.126 -49.564 1.00 34.16 ? 153 VAL B N 1 ATOM 5439 C CA . VAL B 1 153 ? 13.425 -2.436 -48.172 1.00 33.74 ? 153 VAL B CA 1 ATOM 5440 C C . VAL B 1 153 ? 14.473 -3.576 -48.168 1.00 39.29 ? 153 VAL B C 1 ATOM 5441 O O . VAL B 1 153 ? 14.750 -4.159 -49.217 1.00 38.46 ? 153 VAL B O 1 ATOM 5442 C CB . VAL B 1 153 ? 12.138 -2.785 -47.330 1.00 36.62 ? 153 VAL B CB 1 ATOM 5443 C CG1 . VAL B 1 153 ? 11.227 -1.571 -47.158 1.00 34.39 ? 153 VAL B CG1 1 ATOM 5444 C CG2 . VAL B 1 153 ? 11.357 -3.961 -47.943 1.00 36.92 ? 153 VAL B CG2 1 ATOM 5445 N N . GLY B 1 154 ? 15.061 -3.853 -47.003 1.00 36.93 ? 154 GLY B N 1 ATOM 5446 C CA . GLY B 1 154 ? 16.066 -4.897 -46.820 1.00 36.97 ? 154 GLY B CA 1 ATOM 5447 C C . GLY B 1 154 ? 17.302 -4.654 -47.659 1.00 38.82 ? 154 GLY B C 1 ATOM 5448 O O . GLY B 1 154 ? 17.657 -3.502 -47.926 1.00 36.71 ? 154 GLY B O 1 ATOM 5449 N N . THR B 1 155 ? 17.941 -5.735 -48.111 1.00 37.32 ? 155 THR B N 1 ATOM 5450 C CA . THR B 1 155 ? 19.123 -5.684 -48.991 1.00 38.42 ? 155 THR B CA 1 ATOM 5451 C C . THR B 1 155 ? 18.800 -4.875 -50.271 1.00 41.77 ? 155 THR B C 1 ATOM 5452 O O . THR B 1 155 ? 19.579 -4.011 -50.675 1.00 43.01 ? 155 THR B O 1 ATOM 5453 C CB . THR B 1 155 ? 19.597 -7.104 -49.336 1.00 44.67 ? 155 THR B CB 1 ATOM 5454 O OG1 . THR B 1 155 ? 18.512 -7.808 -49.944 1.00 41.98 ? 155 THR B OG1 1 ATOM 5455 C CG2 . THR B 1 155 ? 20.073 -7.884 -48.123 1.00 46.01 ? 155 THR B CG2 1 ATOM 5456 N N . PHE B 1 156 ? 17.621 -5.098 -50.851 1.00 36.96 ? 156 PHE B N 1 ATOM 5457 C CA . PHE B 1 156 ? 17.182 -4.435 -52.097 1.00 36.97 ? 156 PHE B CA 1 ATOM 5458 C C . PHE B 1 156 ? 17.177 -2.921 -52.003 1.00 41.21 ? 156 PHE B C 1 ATOM 5459 O O . PHE B 1 156 ? 17.591 -2.242 -52.940 1.00 41.09 ? 156 PHE B O 1 ATOM 5460 C CB . PHE B 1 156 ? 15.810 -4.976 -52.560 1.00 38.09 ? 156 PHE B CB 1 ATOM 5461 C CG . PHE B 1 156 ? 15.753 -6.490 -52.470 1.00 39.49 ? 156 PHE B CG 1 ATOM 5462 C CD1 . PHE B 1 156 ? 16.295 -7.282 -53.473 1.00 43.32 ? 156 PHE B CD1 1 ATOM 5463 C CD2 . PHE B 1 156 ? 15.210 -7.118 -51.356 1.00 39.70 ? 156 PHE B CD2 1 ATOM 5464 C CE1 . PHE B 1 156 ? 16.267 -8.676 -53.376 1.00 44.95 ? 156 PHE B CE1 1 ATOM 5465 C CE2 . PHE B 1 156 ? 15.192 -8.506 -51.252 1.00 42.84 ? 156 PHE B CE2 1 ATOM 5466 C CZ . PHE B 1 156 ? 15.731 -9.278 -52.252 1.00 43.63 ? 156 PHE B CZ 1 ATOM 5467 N N . GLY B 1 157 ? 16.789 -2.396 -50.849 1.00 36.74 ? 157 GLY B N 1 ATOM 5468 C CA . GLY B 1 157 ? 16.772 -0.959 -50.660 1.00 34.54 ? 157 GLY B CA 1 ATOM 5469 C C . GLY B 1 157 ? 17.969 -0.377 -49.955 1.00 38.21 ? 157 GLY B C 1 ATOM 5470 O O . GLY B 1 157 ? 18.218 0.820 -50.094 1.00 38.16 ? 157 GLY B O 1 ATOM 5471 N N . PHE B 1 158 ? 18.683 -1.176 -49.143 1.00 35.88 ? 158 PHE B N 1 ATOM 5472 C CA . PHE B 1 158 ? 19.708 -0.585 -48.275 1.00 36.05 ? 158 PHE B CA 1 ATOM 5473 C C . PHE B 1 158 ? 21.049 -1.289 -48.219 1.00 41.29 ? 158 PHE B C 1 ATOM 5474 O O . PHE B 1 158 ? 21.927 -0.787 -47.502 1.00 41.25 ? 158 PHE B O 1 ATOM 5475 C CB . PHE B 1 158 ? 19.127 -0.423 -46.841 1.00 35.72 ? 158 PHE B CB 1 ATOM 5476 C CG . PHE B 1 158 ? 17.995 0.585 -46.837 1.00 35.16 ? 158 PHE B CG 1 ATOM 5477 C CD1 . PHE B 1 158 ? 18.259 1.951 -46.942 1.00 35.72 ? 158 PHE B CD1 1 ATOM 5478 C CD2 . PHE B 1 158 ? 16.666 0.166 -46.874 1.00 35.48 ? 158 PHE B CD2 1 ATOM 5479 C CE1 . PHE B 1 158 ? 17.222 2.874 -47.106 1.00 35.49 ? 158 PHE B CE1 1 ATOM 5480 C CE2 . PHE B 1 158 ? 15.625 1.095 -47.030 1.00 37.02 ? 158 PHE B CE2 1 ATOM 5481 C CZ . PHE B 1 158 ? 15.908 2.442 -47.123 1.00 34.90 ? 158 PHE B CZ 1 ATOM 5482 N N . LEU B 1 159 ? 21.250 -2.401 -48.964 1.00 37.78 ? 159 LEU B N 1 ATOM 5483 C CA . LEU B 1 159 ? 22.576 -3.033 -48.967 1.00 39.20 ? 159 LEU B CA 1 ATOM 5484 C C . LEU B 1 159 ? 23.520 -2.055 -49.653 1.00 45.44 ? 159 LEU B C 1 ATOM 5485 O O . LEU B 1 159 ? 23.225 -1.550 -50.742 1.00 45.87 ? 159 LEU B O 1 ATOM 5486 C CB . LEU B 1 159 ? 22.588 -4.394 -49.681 1.00 39.97 ? 159 LEU B CB 1 ATOM 5487 C CG . LEU B 1 159 ? 23.948 -5.100 -49.807 1.00 44.23 ? 159 LEU B CG 1 ATOM 5488 C CD1 . LEU B 1 159 ? 23.830 -6.563 -49.490 1.00 44.47 ? 159 LEU B CD1 1 ATOM 5489 C CD2 . LEU B 1 159 ? 24.534 -4.911 -51.192 1.00 46.07 ? 159 LEU B CD2 1 ATOM 5490 N N . ALA B 1 160 ? 24.646 -1.797 -49.015 1.00 43.76 ? 160 ALA B N 1 ATOM 5491 C CA . ALA B 1 160 ? 25.614 -0.845 -49.508 1.00 44.15 ? 160 ALA B CA 1 ATOM 5492 C C . ALA B 1 160 ? 27.045 -1.268 -49.403 1.00 49.93 ? 160 ALA B C 1 ATOM 5493 O O . ALA B 1 160 ? 27.469 -1.888 -48.419 1.00 51.23 ? 160 ALA B O 1 ATOM 5494 C CB . ALA B 1 160 ? 25.454 0.461 -48.741 1.00 44.27 ? 160 ALA B CB 1 ATOM 5495 N N . LEU B 1 161 ? 27.788 -0.905 -50.441 1.00 46.99 ? 161 LEU B N 1 ATOM 5496 C CA A LEU B 1 161 ? 29.238 -1.017 -50.473 0.50 48.14 ? 161 LEU B CA 1 ATOM 5497 C CA B LEU B 1 161 ? 29.234 -1.032 -50.503 0.50 48.70 ? 161 LEU B CA 1 ATOM 5498 C C . LEU B 1 161 ? 29.655 0.436 -50.706 1.00 52.10 ? 161 LEU B C 1 ATOM 5499 O O . LEU B 1 161 ? 29.707 0.905 -51.841 1.00 51.33 ? 161 LEU B O 1 ATOM 5500 C CB A LEU B 1 161 ? 29.771 -2.001 -51.531 0.50 48.99 ? 161 LEU B CB 1 ATOM 5501 C CB B LEU B 1 161 ? 29.676 -1.974 -51.643 0.50 49.89 ? 161 LEU B CB 1 ATOM 5502 C CG A LEU B 1 161 ? 29.700 -3.485 -51.144 0.50 53.10 ? 161 LEU B CG 1 ATOM 5503 C CG B LEU B 1 161 ? 29.591 -3.469 -51.306 0.50 55.04 ? 161 LEU B CG 1 ATOM 5504 C CD1 A LEU B 1 161 ? 30.055 -4.332 -52.296 0.50 55.29 ? 161 LEU B CD1 1 ATOM 5505 C CD1 B LEU B 1 161 ? 28.196 -4.022 -51.547 0.50 53.42 ? 161 LEU B CD1 1 ATOM 5506 C CD2 A LEU B 1 161 ? 30.656 -3.835 -50.025 0.50 52.59 ? 161 LEU B CD2 1 ATOM 5507 C CD2 B LEU B 1 161 ? 30.534 -4.253 -52.149 0.50 61.63 ? 161 LEU B CD2 1 ATOM 5508 N N . PRO B 1 162 ? 29.731 1.232 -49.592 1.00 49.25 ? 162 PRO B N 1 ATOM 5509 C CA . PRO B 1 162 ? 30.005 2.674 -49.733 1.00 49.20 ? 162 PRO B CA 1 ATOM 5510 C C . PRO B 1 162 ? 31.230 2.996 -50.571 1.00 55.67 ? 162 PRO B C 1 ATOM 5511 O O . PRO B 1 162 ? 32.283 2.372 -50.399 1.00 56.66 ? 162 PRO B O 1 ATOM 5512 C CB . PRO B 1 162 ? 30.113 3.150 -48.282 1.00 50.48 ? 162 PRO B CB 1 ATOM 5513 C CG . PRO B 1 162 ? 29.279 2.165 -47.518 1.00 52.82 ? 162 PRO B CG 1 ATOM 5514 C CD . PRO B 1 162 ? 29.601 0.867 -48.160 1.00 49.30 ? 162 PRO B CD 1 ATOM 5515 N N . GLY B 1 163 ? 31.047 3.909 -51.519 1.00 51.48 ? 163 GLY B N 1 ATOM 5516 C CA . GLY B 1 163 ? 32.094 4.287 -52.455 1.00 52.98 ? 163 GLY B CA 1 ATOM 5517 C C . GLY B 1 163 ? 31.928 3.617 -53.803 1.00 59.89 ? 163 GLY B C 1 ATOM 5518 O O . GLY B 1 163 ? 32.434 4.132 -54.806 1.00 61.49 ? 163 GLY B O 1 ATOM 5519 N N . SER B 1 164 ? 31.204 2.470 -53.852 1.00 55.92 ? 164 SER B N 1 ATOM 5520 C CA . SER B 1 164 ? 30.966 1.753 -55.113 1.00 56.22 ? 164 SER B CA 1 ATOM 5521 C C . SER B 1 164 ? 29.934 2.507 -55.966 1.00 58.86 ? 164 SER B C 1 ATOM 5522 O O . SER B 1 164 ? 29.116 3.263 -55.439 1.00 55.74 ? 164 SER B O 1 ATOM 5523 C CB . SER B 1 164 ? 30.473 0.331 -54.850 1.00 58.18 ? 164 SER B CB 1 ATOM 5524 O OG . SER B 1 164 ? 29.112 0.335 -54.437 1.00 58.76 ? 164 SER B OG 1 ATOM 5525 N N . ARG B 1 165 ? 29.952 2.281 -57.269 1.00 57.30 ? 165 ARG B N 1 ATOM 5526 C CA . ARG B 1 165 ? 28.963 2.904 -58.142 1.00 56.97 ? 165 ARG B CA 1 ATOM 5527 C C . ARG B 1 165 ? 27.730 2.015 -58.209 1.00 58.55 ? 165 ARG B C 1 ATOM 5528 O O . ARG B 1 165 ? 26.612 2.519 -58.361 1.00 56.88 ? 165 ARG B O 1 ATOM 5529 C CB . ARG B 1 165 ? 29.532 3.091 -59.561 1.00 61.90 ? 165 ARG B CB 1 ATOM 5530 C CG . ARG B 1 165 ? 30.538 4.232 -59.678 1.00 85.55 ? 165 ARG B CG 1 ATOM 5531 C CD . ARG B 1 165 ? 31.259 4.249 -61.025 1.00 107.78 ? 165 ARG B CD 1 ATOM 5532 N NE . ARG B 1 165 ? 32.120 3.076 -61.222 1.00 125.61 ? 165 ARG B NE 1 ATOM 5533 C CZ . ARG B 1 165 ? 33.174 3.039 -62.031 1.00 148.15 ? 165 ARG B CZ 1 ATOM 5534 N NH1 . ARG B 1 165 ? 33.528 4.116 -62.723 1.00 138.99 ? 165 ARG B NH1 1 ATOM 5535 N NH2 . ARG B 1 165 ? 33.892 1.930 -62.144 1.00 139.77 ? 165 ARG B NH2 1 ATOM 5536 N N . GLU B 1 166 ? 27.942 0.683 -58.097 1.00 54.46 ? 166 GLU B N 1 ATOM 5537 C CA . GLU B 1 166 ? 26.909 -0.352 -58.268 1.00 53.03 ? 166 GLU B CA 1 ATOM 5538 C C . GLU B 1 166 ? 25.981 -0.552 -57.054 1.00 51.45 ? 166 GLU B C 1 ATOM 5539 O O . GLU B 1 166 ? 24.845 -0.954 -57.254 1.00 49.78 ? 166 GLU B O 1 ATOM 5540 C CB . GLU B 1 166 ? 27.530 -1.693 -58.707 1.00 55.78 ? 166 GLU B CB 1 ATOM 5541 C CG . GLU B 1 166 ? 28.440 -1.609 -59.932 1.00 62.91 ? 166 GLU B CG 1 ATOM 5542 C CD . GLU B 1 166 ? 29.919 -1.398 -59.648 1.00 83.25 ? 166 GLU B CD 1 ATOM 5543 O OE1 . GLU B 1 166 ? 30.274 -0.987 -58.518 1.00 69.43 ? 166 GLU B OE1 1 ATOM 5544 O OE2 . GLU B 1 166 ? 30.728 -1.628 -60.575 1.00 81.75 ? 166 GLU B OE2 1 ATOM 5545 N N . ALA B 1 167 ? 26.453 -0.299 -55.824 1.00 45.87 ? 167 ALA B N 1 ATOM 5546 C CA . ALA B 1 167 ? 25.656 -0.408 -54.593 1.00 44.08 ? 167 ALA B CA 1 ATOM 5547 C C . ALA B 1 167 ? 26.016 0.779 -53.662 1.00 47.61 ? 167 ALA B C 1 ATOM 5548 O O . ALA B 1 167 ? 26.714 0.583 -52.659 1.00 47.88 ? 167 ALA B O 1 ATOM 5549 C CB . ALA B 1 167 ? 25.901 -1.753 -53.911 1.00 44.68 ? 167 ALA B CB 1 ATOM 5550 N N . PRO B 1 168 ? 25.606 2.029 -54.010 1.00 44.78 ? 168 PRO B N 1 ATOM 5551 C CA . PRO B 1 168 ? 26.028 3.186 -53.197 1.00 45.38 ? 168 PRO B CA 1 ATOM 5552 C C . PRO B 1 168 ? 25.346 3.333 -51.833 1.00 49.01 ? 168 PRO B C 1 ATOM 5553 O O . PRO B 1 168 ? 25.835 4.088 -50.989 1.00 49.25 ? 168 PRO B O 1 ATOM 5554 C CB . PRO B 1 168 ? 25.719 4.381 -54.112 1.00 46.91 ? 168 PRO B CB 1 ATOM 5555 C CG . PRO B 1 168 ? 24.537 3.920 -54.922 1.00 49.77 ? 168 PRO B CG 1 ATOM 5556 C CD . PRO B 1 168 ? 24.806 2.465 -55.184 1.00 45.82 ? 168 PRO B CD 1 ATOM 5557 N N . GLY B 1 169 ? 24.233 2.627 -51.628 1.00 43.50 ? 169 GLY B N 1 ATOM 5558 C CA . GLY B 1 169 ? 23.456 2.721 -50.394 1.00 41.09 ? 169 GLY B CA 1 ATOM 5559 C C . GLY B 1 169 ? 22.332 3.730 -50.498 1.00 43.23 ? 169 GLY B C 1 ATOM 5560 O O . GLY B 1 169 ? 22.298 4.533 -51.444 1.00 42.72 ? 169 GLY B O 1 ATOM 5561 N N . ASN B 1 170 ? 21.376 3.668 -49.552 1.00 39.03 ? 170 ASN B N 1 ATOM 5562 C CA . ASN B 1 170 ? 20.230 4.584 -49.439 1.00 37.48 ? 170 ASN B CA 1 ATOM 5563 C C . ASN B 1 170 ? 19.298 4.627 -50.654 1.00 38.93 ? 170 ASN B C 1 ATOM 5564 O O . ASN B 1 170 ? 18.510 5.578 -50.782 1.00 37.92 ? 170 ASN B O 1 ATOM 5565 C CB . ASN B 1 170 ? 20.717 6.018 -49.103 1.00 36.18 ? 170 ASN B CB 1 ATOM 5566 C CG . ASN B 1 170 ? 21.468 6.094 -47.805 1.00 46.57 ? 170 ASN B CG 1 ATOM 5567 O OD1 . ASN B 1 170 ? 21.082 5.487 -46.815 1.00 42.20 ? 170 ASN B OD1 1 ATOM 5568 N ND2 . ASN B 1 170 ? 22.531 6.860 -47.769 1.00 34.85 ? 170 ASN B ND2 1 ATOM 5569 N N . VAL B 1 171 ? 19.310 3.593 -51.496 1.00 34.25 ? 171 VAL B N 1 ATOM 5570 C CA . VAL B 1 171 ? 18.492 3.596 -52.726 1.00 33.09 ? 171 VAL B CA 1 ATOM 5571 C C . VAL B 1 171 ? 16.980 3.557 -52.381 1.00 38.26 ? 171 VAL B C 1 ATOM 5572 O O . VAL B 1 171 ? 16.216 4.210 -53.079 1.00 37.97 ? 171 VAL B O 1 ATOM 5573 C CB . VAL B 1 171 ? 18.936 2.575 -53.809 1.00 35.31 ? 171 VAL B CB 1 ATOM 5574 C CG1 . VAL B 1 171 ? 20.429 2.754 -54.127 1.00 34.20 ? 171 VAL B CG1 1 ATOM 5575 C CG2 . VAL B 1 171 ? 18.625 1.120 -53.426 1.00 34.75 ? 171 VAL B CG2 1 ATOM 5576 N N . GLY B 1 172 ? 16.594 2.958 -51.241 1.00 35.34 ? 172 GLY B N 1 ATOM 5577 C CA . GLY B 1 172 ? 15.201 2.986 -50.778 1.00 33.27 ? 172 GLY B CA 1 ATOM 5578 C C . GLY B 1 172 ? 14.737 4.398 -50.447 1.00 36.38 ? 172 GLY B C 1 ATOM 5579 O O . GLY B 1 172 ? 13.578 4.752 -50.681 1.00 34.04 ? 172 GLY B O 1 ATOM 5580 N N . LEU B 1 173 ? 15.663 5.244 -49.939 1.00 34.27 ? 173 LEU B N 1 ATOM 5581 C CA . LEU B 1 173 ? 15.385 6.660 -49.648 1.00 33.74 ? 173 LEU B CA 1 ATOM 5582 C C . LEU B 1 173 ? 15.313 7.451 -50.954 1.00 36.62 ? 173 LEU B C 1 ATOM 5583 O O . LEU B 1 173 ? 14.553 8.417 -51.057 1.00 36.89 ? 173 LEU B O 1 ATOM 5584 C CB . LEU B 1 173 ? 16.467 7.260 -48.708 1.00 33.21 ? 173 LEU B CB 1 ATOM 5585 C CG . LEU B 1 173 ? 16.509 6.759 -47.260 1.00 36.86 ? 173 LEU B CG 1 ATOM 5586 C CD1 . LEU B 1 173 ? 17.780 7.218 -46.582 1.00 36.01 ? 173 LEU B CD1 1 ATOM 5587 C CD2 . LEU B 1 173 ? 15.306 7.241 -46.478 1.00 38.68 ? 173 LEU B CD2 1 ATOM 5588 N N . LEU B 1 174 ? 16.094 7.038 -51.949 1.00 32.97 ? 174 LEU B N 1 ATOM 5589 C CA . LEU B 1 174 ? 16.052 7.620 -53.291 1.00 34.03 ? 174 LEU B CA 1 ATOM 5590 C C . LEU B 1 174 ? 14.743 7.240 -53.997 1.00 36.18 ? 174 LEU B C 1 ATOM 5591 O O . LEU B 1 174 ? 14.224 8.048 -54.766 1.00 35.59 ? 174 LEU B O 1 ATOM 5592 C CB . LEU B 1 174 ? 17.286 7.267 -54.138 1.00 35.49 ? 174 LEU B CB 1 ATOM 5593 C CG . LEU B 1 174 ? 18.645 7.833 -53.637 1.00 40.54 ? 174 LEU B CG 1 ATOM 5594 C CD1 . LEU B 1 174 ? 19.809 7.241 -54.452 1.00 40.71 ? 174 LEU B CD1 1 ATOM 5595 C CD2 . LEU B 1 174 ? 18.684 9.346 -53.724 1.00 42.56 ? 174 LEU B CD2 1 ATOM 5596 N N . ASP B 1 175 ? 14.158 6.064 -53.672 1.00 32.93 ? 175 ASP B N 1 ATOM 5597 C CA . ASP B 1 175 ? 12.839 5.661 -54.214 1.00 32.95 ? 175 ASP B CA 1 ATOM 5598 C C . ASP B 1 175 ? 11.780 6.621 -53.665 1.00 37.25 ? 175 ASP B C 1 ATOM 5599 O O . ASP B 1 175 ? 10.952 7.126 -54.425 1.00 36.37 ? 175 ASP B O 1 ATOM 5600 C CB . ASP B 1 175 ? 12.481 4.216 -53.817 1.00 33.04 ? 175 ASP B CB 1 ATOM 5601 C CG . ASP B 1 175 ? 13.423 3.174 -54.358 1.00 36.67 ? 175 ASP B CG 1 ATOM 5602 O OD1 . ASP B 1 175 ? 14.134 3.466 -55.351 1.00 37.71 ? 175 ASP B OD1 1 ATOM 5603 O OD2 . ASP B 1 175 ? 13.409 2.052 -53.842 1.00 37.38 ? 175 ASP B OD2 1 ATOM 5604 N N . GLN B 1 176 ? 11.849 6.905 -52.347 1.00 35.33 ? 176 GLN B N 1 ATOM 5605 C CA . GLN B 1 176 ? 10.951 7.839 -51.682 1.00 34.89 ? 176 GLN B CA 1 ATOM 5606 C C . GLN B 1 176 ? 11.074 9.218 -52.315 1.00 38.18 ? 176 GLN B C 1 ATOM 5607 O O . GLN B 1 176 ? 10.060 9.807 -52.656 1.00 38.89 ? 176 GLN B O 1 ATOM 5608 C CB . GLN B 1 176 ? 11.273 7.915 -50.184 1.00 35.82 ? 176 GLN B CB 1 ATOM 5609 C CG . GLN B 1 176 ? 10.983 6.620 -49.435 1.00 32.93 ? 176 GLN B CG 1 ATOM 5610 C CD . GLN B 1 176 ? 11.503 6.718 -48.032 1.00 40.82 ? 176 GLN B CD 1 ATOM 5611 O OE1 . GLN B 1 176 ? 11.879 7.785 -47.577 1.00 33.18 ? 176 GLN B OE1 1 ATOM 5612 N NE2 . GLN B 1 176 ? 11.534 5.605 -47.318 1.00 34.54 ? 176 GLN B NE2 1 ATOM 5613 N N . ARG B 1 177 ? 12.315 9.716 -52.498 1.00 35.11 ? 177 ARG B N 1 ATOM 5614 C CA . ARG B 1 177 ? 12.607 11.012 -53.117 1.00 35.27 ? 177 ARG B CA 1 ATOM 5615 C C . ARG B 1 177 ? 12.050 11.112 -54.542 1.00 39.94 ? 177 ARG B C 1 ATOM 5616 O O . ARG B 1 177 ? 11.488 12.144 -54.896 1.00 39.59 ? 177 ARG B O 1 ATOM 5617 C CB . ARG B 1 177 ? 14.116 11.304 -53.110 1.00 34.43 ? 177 ARG B CB 1 ATOM 5618 C CG . ARG B 1 177 ? 14.475 12.622 -53.814 1.00 39.28 ? 177 ARG B CG 1 ATOM 5619 C CD . ARG B 1 177 ? 15.952 12.871 -53.770 1.00 38.65 ? 177 ARG B CD 1 ATOM 5620 N NE . ARG B 1 177 ? 16.323 13.310 -52.419 1.00 41.74 ? 177 ARG B NE 1 ATOM 5621 C CZ . ARG B 1 177 ? 17.571 13.355 -51.965 1.00 52.93 ? 177 ARG B CZ 1 ATOM 5622 N NH1 . ARG B 1 177 ? 18.580 12.975 -52.735 1.00 41.66 ? 177 ARG B NH1 1 ATOM 5623 N NH2 . ARG B 1 177 ? 17.816 13.781 -50.737 1.00 40.10 ? 177 ARG B NH2 1 ATOM 5624 N N . LEU B 1 178 ? 12.205 10.043 -55.352 1.00 36.64 ? 178 LEU B N 1 ATOM 5625 C CA . LEU B 1 178 ? 11.673 9.994 -56.709 1.00 36.42 ? 178 LEU B CA 1 ATOM 5626 C C . LEU B 1 178 ? 10.142 10.135 -56.690 1.00 38.14 ? 178 LEU B C 1 ATOM 5627 O O . LEU B 1 178 ? 9.587 10.873 -57.514 1.00 36.41 ? 178 LEU B O 1 ATOM 5628 C CB . LEU B 1 178 ? 12.122 8.719 -57.446 1.00 36.61 ? 178 LEU B CB 1 ATOM 5629 C CG . LEU B 1 178 ? 11.805 8.635 -58.956 1.00 40.94 ? 178 LEU B CG 1 ATOM 5630 C CD1 . LEU B 1 178 ? 12.371 9.849 -59.745 1.00 41.53 ? 178 LEU B CD1 1 ATOM 5631 C CD2 . LEU B 1 178 ? 12.362 7.375 -59.533 1.00 40.22 ? 178 LEU B CD2 1 ATOM 5632 N N . ALA B 1 179 ? 9.468 9.479 -55.729 1.00 34.57 ? 179 ALA B N 1 ATOM 5633 C CA . ALA B 1 179 ? 8.005 9.605 -55.561 1.00 34.68 ? 179 ALA B CA 1 ATOM 5634 C C . ALA B 1 179 ? 7.621 11.039 -55.158 1.00 38.92 ? 179 ALA B C 1 ATOM 5635 O O . ALA B 1 179 ? 6.609 11.542 -55.638 1.00 39.63 ? 179 ALA B O 1 ATOM 5636 C CB . ALA B 1 179 ? 7.504 8.621 -54.527 1.00 34.69 ? 179 ALA B CB 1 ATOM 5637 N N . LEU B 1 180 ? 8.451 11.710 -54.313 1.00 36.03 ? 180 LEU B N 1 ATOM 5638 C CA . LEU B 1 180 ? 8.225 13.120 -53.905 1.00 35.59 ? 180 LEU B CA 1 ATOM 5639 C C . LEU B 1 180 ? 8.361 14.036 -55.136 1.00 40.65 ? 180 LEU B C 1 ATOM 5640 O O . LEU B 1 180 ? 7.579 14.979 -55.280 1.00 41.36 ? 180 LEU B O 1 ATOM 5641 C CB . LEU B 1 180 ? 9.199 13.602 -52.805 1.00 34.48 ? 180 LEU B CB 1 ATOM 5642 C CG . LEU B 1 180 ? 9.301 12.832 -51.466 1.00 39.75 ? 180 LEU B CG 1 ATOM 5643 C CD1 . LEU B 1 180 ? 10.058 13.640 -50.395 1.00 38.23 ? 180 LEU B CD1 1 ATOM 5644 C CD2 . LEU B 1 180 ? 7.976 12.314 -50.979 1.00 41.39 ? 180 LEU B CD2 1 ATOM 5645 N N . GLN B 1 181 ? 9.352 13.753 -56.020 1.00 37.23 ? 181 GLN B N 1 ATOM 5646 C CA . GLN B 1 181 ? 9.586 14.479 -57.280 1.00 38.11 ? 181 GLN B CA 1 ATOM 5647 C C . GLN B 1 181 ? 8.392 14.274 -58.218 1.00 42.19 ? 181 GLN B C 1 ATOM 5648 O O . GLN B 1 181 ? 7.945 15.229 -58.864 1.00 42.27 ? 181 GLN B O 1 ATOM 5649 C CB A GLN B 1 181 ? 10.892 13.984 -57.941 0.50 39.72 ? 181 GLN B CB 1 ATOM 5650 C CB B GLN B 1 181 ? 10.897 14.008 -57.947 0.50 39.43 ? 181 GLN B CB 1 ATOM 5651 C CG A GLN B 1 181 ? 12.140 14.692 -57.401 0.50 50.61 ? 181 GLN B CG 1 ATOM 5652 C CG B GLN B 1 181 ? 11.302 14.769 -59.226 0.50 41.24 ? 181 GLN B CG 1 ATOM 5653 C CD A GLN B 1 181 ? 13.463 13.946 -57.512 0.50 54.64 ? 181 GLN B CD 1 ATOM 5654 C CD B GLN B 1 181 ? 11.371 16.277 -59.077 0.50 59.23 ? 181 GLN B CD 1 ATOM 5655 O OE1 A GLN B 1 181 ? 13.547 12.756 -57.830 0.50 46.09 ? 181 GLN B OE1 1 ATOM 5656 O OE1 B GLN B 1 181 ? 10.621 17.015 -59.720 0.50 56.74 ? 181 GLN B OE1 1 ATOM 5657 N NE2 A GLN B 1 181 ? 14.533 14.628 -57.161 0.50 40.72 ? 181 GLN B NE2 1 ATOM 5658 N NE2 B GLN B 1 181 ? 12.279 16.775 -58.245 0.50 49.17 ? 181 GLN B NE2 1 ATOM 5659 N N . TRP B 1 182 ? 7.854 13.030 -58.254 1.00 37.75 ? 182 TRP B N 1 ATOM 5660 C CA . TRP B 1 182 ? 6.693 12.680 -59.063 1.00 37.48 ? 182 TRP B CA 1 ATOM 5661 C C . TRP B 1 182 ? 5.506 13.513 -58.610 1.00 42.78 ? 182 TRP B C 1 ATOM 5662 O O . TRP B 1 182 ? 4.758 13.984 -59.452 1.00 44.62 ? 182 TRP B O 1 ATOM 5663 C CB . TRP B 1 182 ? 6.381 11.174 -58.972 1.00 36.11 ? 182 TRP B CB 1 ATOM 5664 C CG . TRP B 1 182 ? 5.261 10.726 -59.879 1.00 37.72 ? 182 TRP B CG 1 ATOM 5665 C CD1 . TRP B 1 182 ? 5.383 10.169 -61.118 1.00 41.24 ? 182 TRP B CD1 1 ATOM 5666 C CD2 . TRP B 1 182 ? 3.845 10.815 -59.616 1.00 37.66 ? 182 TRP B CD2 1 ATOM 5667 N NE1 . TRP B 1 182 ? 4.133 9.907 -61.648 1.00 41.29 ? 182 TRP B NE1 1 ATOM 5668 C CE2 . TRP B 1 182 ? 3.172 10.304 -60.751 1.00 42.17 ? 182 TRP B CE2 1 ATOM 5669 C CE3 . TRP B 1 182 ? 3.079 11.291 -58.531 1.00 38.42 ? 182 TRP B CE3 1 ATOM 5670 C CZ2 . TRP B 1 182 ? 1.773 10.240 -60.830 1.00 42.13 ? 182 TRP B CZ2 1 ATOM 5671 C CZ3 . TRP B 1 182 ? 1.694 11.249 -58.620 1.00 39.74 ? 182 TRP B CZ3 1 ATOM 5672 C CH2 . TRP B 1 182 ? 1.056 10.704 -59.746 1.00 41.12 ? 182 TRP B CH2 1 ATOM 5673 N N . VAL B 1 183 ? 5.333 13.705 -57.280 1.00 40.31 ? 183 VAL B N 1 ATOM 5674 C CA . VAL B 1 183 ? 4.241 14.510 -56.719 1.00 38.76 ? 183 VAL B CA 1 ATOM 5675 C C . VAL B 1 183 ? 4.370 15.978 -57.184 1.00 43.57 ? 183 VAL B C 1 ATOM 5676 O O . VAL B 1 183 ? 3.405 16.551 -57.686 1.00 43.54 ? 183 VAL B O 1 ATOM 5677 C CB . VAL B 1 183 ? 4.129 14.338 -55.175 1.00 40.36 ? 183 VAL B CB 1 ATOM 5678 C CG1 . VAL B 1 183 ? 3.177 15.373 -54.554 1.00 39.51 ? 183 VAL B CG1 1 ATOM 5679 C CG2 . VAL B 1 183 ? 3.687 12.913 -54.828 1.00 39.42 ? 183 VAL B CG2 1 ATOM 5680 N N . GLN B 1 184 ? 5.575 16.560 -57.067 1.00 41.01 ? 184 GLN B N 1 ATOM 5681 C CA . GLN B 1 184 ? 5.839 17.933 -57.522 1.00 40.89 ? 184 GLN B CA 1 ATOM 5682 C C . GLN B 1 184 ? 5.406 18.160 -58.962 1.00 45.91 ? 184 GLN B C 1 ATOM 5683 O O . GLN B 1 184 ? 4.742 19.150 -59.273 1.00 48.18 ? 184 GLN B O 1 ATOM 5684 C CB . GLN B 1 184 ? 7.334 18.284 -57.372 1.00 41.16 ? 184 GLN B CB 1 ATOM 5685 C CG . GLN B 1 184 ? 7.745 18.601 -55.943 1.00 49.69 ? 184 GLN B CG 1 ATOM 5686 C CD . GLN B 1 184 ? 6.955 19.751 -55.364 1.00 60.51 ? 184 GLN B CD 1 ATOM 5687 O OE1 . GLN B 1 184 ? 7.139 20.908 -55.749 1.00 60.56 ? 184 GLN B OE1 1 ATOM 5688 N NE2 . GLN B 1 184 ? 6.017 19.443 -54.468 1.00 39.61 ? 184 GLN B NE2 1 ATOM 5689 N N . GLU B 1 185 ? 5.733 17.206 -59.818 1.00 42.34 ? 185 GLU B N 1 ATOM 5690 C CA . GLU B 1 185 ? 5.471 17.264 -61.243 1.00 43.85 ? 185 GLU B CA 1 ATOM 5691 C C . GLU B 1 185 ? 4.044 16.917 -61.663 1.00 48.05 ? 185 GLU B C 1 ATOM 5692 O O . GLU B 1 185 ? 3.602 17.418 -62.697 1.00 47.21 ? 185 GLU B O 1 ATOM 5693 C CB . GLU B 1 185 ? 6.418 16.295 -61.971 1.00 45.08 ? 185 GLU B CB 1 ATOM 5694 C CG . GLU B 1 185 ? 7.894 16.657 -61.934 1.00 59.47 ? 185 GLU B CG 1 ATOM 5695 C CD . GLU B 1 185 ? 8.799 15.599 -62.541 1.00 88.46 ? 185 GLU B CD 1 ATOM 5696 O OE1 . GLU B 1 185 ? 8.282 14.678 -63.216 1.00 91.12 ? 185 GLU B OE1 1 ATOM 5697 O OE2 . GLU B 1 185 ? 10.029 15.680 -62.323 1.00 84.56 ? 185 GLU B OE2 1 ATOM 5698 N N . ASN B 1 186 ? 3.359 16.003 -60.935 1.00 44.84 ? 186 ASN B N 1 ATOM 5699 C CA . ASN B 1 186 ? 2.061 15.484 -61.386 1.00 45.17 ? 186 ASN B CA 1 ATOM 5700 C C . ASN B 1 186 ? 0.855 15.656 -60.476 1.00 48.80 ? 186 ASN B C 1 ATOM 5701 O O . ASN B 1 186 ? -0.255 15.404 -60.944 1.00 49.70 ? 186 ASN B O 1 ATOM 5702 C CB . ASN B 1 186 ? 2.208 13.982 -61.682 1.00 44.84 ? 186 ASN B CB 1 ATOM 5703 C CG . ASN B 1 186 ? 3.241 13.673 -62.737 1.00 54.68 ? 186 ASN B CG 1 ATOM 5704 O OD1 . ASN B 1 186 ? 3.049 13.957 -63.904 1.00 50.29 ? 186 ASN B OD1 1 ATOM 5705 N ND2 . ASN B 1 186 ? 4.366 13.115 -62.346 1.00 41.73 ? 186 ASN B ND2 1 ATOM 5706 N N . ILE B 1 187 ? 1.036 16.005 -59.195 1.00 44.00 ? 187 ILE B N 1 ATOM 5707 C CA . ILE B 1 187 ? -0.115 16.067 -58.270 1.00 42.92 ? 187 ILE B CA 1 ATOM 5708 C C . ILE B 1 187 ? -1.175 17.127 -58.648 1.00 46.71 ? 187 ILE B C 1 ATOM 5709 O O . ILE B 1 187 ? -2.349 16.887 -58.360 1.00 46.76 ? 187 ILE B O 1 ATOM 5710 C CB . ILE B 1 187 ? 0.295 16.166 -56.778 1.00 43.53 ? 187 ILE B CB 1 ATOM 5711 C CG1 . ILE B 1 187 ? -0.721 15.435 -55.883 1.00 42.17 ? 187 ILE B CG1 1 ATOM 5712 C CG2 . ILE B 1 187 ? 0.580 17.600 -56.317 1.00 45.32 ? 187 ILE B CG2 1 ATOM 5713 C CD1 . ILE B 1 187 ? -0.741 13.869 -56.112 1.00 38.55 ? 187 ILE B CD1 1 ATOM 5714 N N . ALA B 1 188 ? -0.788 18.245 -59.326 1.00 44.63 ? 188 ALA B N 1 ATOM 5715 C CA . ALA B 1 188 ? -1.750 19.272 -59.777 1.00 45.73 ? 188 ALA B CA 1 ATOM 5716 C C . ALA B 1 188 ? -2.842 18.679 -60.673 1.00 49.00 ? 188 ALA B C 1 ATOM 5717 O O . ALA B 1 188 ? -3.966 19.182 -60.658 1.00 49.64 ? 188 ALA B O 1 ATOM 5718 C CB . ALA B 1 188 ? -1.044 20.401 -60.519 1.00 47.28 ? 188 ALA B CB 1 ATOM 5719 N N . ALA B 1 189 ? -2.528 17.588 -61.411 1.00 45.00 ? 189 ALA B N 1 ATOM 5720 C CA . ALA B 1 189 ? -3.470 16.912 -62.317 1.00 45.68 ? 189 ALA B CA 1 ATOM 5721 C C . ALA B 1 189 ? -4.602 16.216 -61.542 1.00 49.77 ? 189 ALA B C 1 ATOM 5722 O O . ALA B 1 189 ? -5.640 15.934 -62.109 1.00 50.99 ? 189 ALA B O 1 ATOM 5723 C CB . ALA B 1 189 ? -2.721 15.902 -63.185 1.00 45.92 ? 189 ALA B CB 1 ATOM 5724 N N . PHE B 1 190 ? -4.403 15.965 -60.251 1.00 46.61 ? 190 PHE B N 1 ATOM 5725 C CA . PHE B 1 190 ? -5.372 15.328 -59.361 1.00 47.02 ? 190 PHE B CA 1 ATOM 5726 C C . PHE B 1 190 ? -6.061 16.356 -58.454 1.00 53.13 ? 190 PHE B C 1 ATOM 5727 O O . PHE B 1 190 ? -6.860 15.972 -57.600 1.00 54.78 ? 190 PHE B O 1 ATOM 5728 C CB . PHE B 1 190 ? -4.651 14.274 -58.486 1.00 46.66 ? 190 PHE B CB 1 ATOM 5729 C CG . PHE B 1 190 ? -3.974 13.179 -59.279 1.00 46.93 ? 190 PHE B CG 1 ATOM 5730 C CD1 . PHE B 1 190 ? -2.675 13.338 -59.744 1.00 47.27 ? 190 PHE B CD1 1 ATOM 5731 C CD2 . PHE B 1 190 ? -4.635 11.988 -59.556 1.00 49.44 ? 190 PHE B CD2 1 ATOM 5732 C CE1 . PHE B 1 190 ? -2.054 12.334 -60.485 1.00 48.18 ? 190 PHE B CE1 1 ATOM 5733 C CE2 . PHE B 1 190 ? -3.999 10.969 -60.279 1.00 51.18 ? 190 PHE B CE2 1 ATOM 5734 C CZ . PHE B 1 190 ? -2.714 11.151 -60.739 1.00 47.91 ? 190 PHE B CZ 1 ATOM 5735 N N . GLY B 1 191 ? -5.709 17.636 -58.619 1.00 50.03 ? 191 GLY B N 1 ATOM 5736 C CA . GLY B 1 191 ? -6.206 18.736 -57.797 1.00 49.73 ? 191 GLY B CA 1 ATOM 5737 C C . GLY B 1 191 ? -5.381 18.993 -56.547 1.00 53.29 ? 191 GLY B C 1 ATOM 5738 O O . GLY B 1 191 ? -5.820 19.724 -55.654 1.00 53.42 ? 191 GLY B O 1 ATOM 5739 N N . GLY B 1 192 ? -4.205 18.361 -56.450 1.00 48.60 ? 192 GLY B N 1 ATOM 5740 C CA . GLY B 1 192 ? -3.308 18.544 -55.307 1.00 46.51 ? 192 GLY B CA 1 ATOM 5741 C C . GLY B 1 192 ? -2.463 19.792 -55.465 1.00 51.14 ? 192 GLY B C 1 ATOM 5742 O O . GLY B 1 192 ? -2.154 20.184 -56.584 1.00 53.81 ? 192 GLY B O 1 ATOM 5743 N N . ASP B 1 193 ? -2.092 20.438 -54.362 1.00 47.35 ? 193 ASP B N 1 ATOM 5744 C CA . ASP B 1 193 ? -1.254 21.634 -54.379 1.00 46.51 ? 193 ASP B CA 1 ATOM 5745 C C . ASP B 1 193 ? 0.230 21.225 -54.209 1.00 47.55 ? 193 ASP B C 1 ATOM 5746 O O . ASP B 1 193 ? 0.605 20.860 -53.096 1.00 45.32 ? 193 ASP B O 1 ATOM 5747 C CB . ASP B 1 193 ? -1.676 22.578 -53.232 1.00 48.55 ? 193 ASP B CB 1 ATOM 5748 C CG . ASP B 1 193 ? -1.068 23.964 -53.271 1.00 52.46 ? 193 ASP B CG 1 ATOM 5749 O OD1 . ASP B 1 193 ? -0.148 24.186 -54.087 1.00 52.65 ? 193 ASP B OD1 1 ATOM 5750 O OD2 . ASP B 1 193 ? -1.508 24.831 -52.472 1.00 58.01 ? 193 ASP B OD2 1 ATOM 5751 N N . PRO B 1 194 ? 1.103 21.301 -55.259 1.00 44.10 ? 194 PRO B N 1 ATOM 5752 C CA . PRO B 1 194 ? 2.523 20.920 -55.059 1.00 42.63 ? 194 PRO B CA 1 ATOM 5753 C C . PRO B 1 194 ? 3.272 21.889 -54.124 1.00 48.00 ? 194 PRO B C 1 ATOM 5754 O O . PRO B 1 194 ? 4.346 21.546 -53.627 1.00 47.11 ? 194 PRO B O 1 ATOM 5755 C CB . PRO B 1 194 ? 3.099 20.924 -56.488 1.00 44.16 ? 194 PRO B CB 1 ATOM 5756 C CG . PRO B 1 194 ? 2.242 21.918 -57.221 1.00 49.19 ? 194 PRO B CG 1 ATOM 5757 C CD . PRO B 1 194 ? 0.854 21.728 -56.657 1.00 45.07 ? 194 PRO B CD 1 ATOM 5758 N N . MET B 1 195 ? 2.685 23.074 -53.864 1.00 46.87 ? 195 MET B N 1 ATOM 5759 C CA . MET B 1 195 ? 3.232 24.098 -52.971 1.00 48.49 ? 195 MET B CA 1 ATOM 5760 C C . MET B 1 195 ? 2.801 23.896 -51.505 1.00 50.24 ? 195 MET B C 1 ATOM 5761 O O . MET B 1 195 ? 3.163 24.701 -50.641 1.00 49.27 ? 195 MET B O 1 ATOM 5762 C CB . MET B 1 195 ? 2.882 25.508 -53.470 1.00 53.34 ? 195 MET B CB 1 ATOM 5763 C CG . MET B 1 195 ? 3.628 25.891 -54.717 1.00 59.53 ? 195 MET B CG 1 ATOM 5764 S SD . MET B 1 195 ? 3.201 27.573 -55.223 1.00 69.10 ? 195 MET B SD 1 ATOM 5765 C CE . MET B 1 195 ? 4.216 28.552 -54.015 1.00 65.96 ? 195 MET B CE 1 ATOM 5766 N N . SER B 1 196 ? 2.045 22.815 -51.225 1.00 44.48 ? 196 SER B N 1 ATOM 5767 C CA . SER B 1 196 ? 1.636 22.476 -49.855 1.00 43.83 ? 196 SER B CA 1 ATOM 5768 C C . SER B 1 196 ? 1.680 20.955 -49.685 1.00 44.21 ? 196 SER B C 1 ATOM 5769 O O . SER B 1 196 ? 0.657 20.271 -49.764 1.00 43.37 ? 196 SER B O 1 ATOM 5770 C CB . SER B 1 196 ? 0.261 23.049 -49.513 1.00 47.31 ? 196 SER B CB 1 ATOM 5771 O OG . SER B 1 196 ? -0.060 22.680 -48.181 1.00 49.44 ? 196 SER B OG 1 ATOM 5772 N N . VAL B 1 197 ? 2.896 20.434 -49.491 1.00 39.27 ? 197 VAL B N 1 ATOM 5773 C CA . VAL B 1 197 ? 3.147 19.002 -49.344 1.00 37.09 ? 197 VAL B CA 1 ATOM 5774 C C . VAL B 1 197 ? 3.630 18.690 -47.927 1.00 39.10 ? 197 VAL B C 1 ATOM 5775 O O . VAL B 1 197 ? 4.632 19.237 -47.495 1.00 39.62 ? 197 VAL B O 1 ATOM 5776 C CB . VAL B 1 197 ? 4.119 18.465 -50.438 1.00 39.20 ? 197 VAL B CB 1 ATOM 5777 C CG1 . VAL B 1 197 ? 4.544 17.032 -50.140 1.00 37.24 ? 197 VAL B CG1 1 ATOM 5778 C CG2 . VAL B 1 197 ? 3.511 18.584 -51.839 1.00 39.54 ? 197 VAL B CG2 1 ATOM 5779 N N . THR B 1 198 ? 2.922 17.802 -47.223 1.00 34.82 ? 198 THR B N 1 ATOM 5780 C CA . THR B 1 198 ? 3.287 17.361 -45.881 1.00 34.19 ? 198 THR B CA 1 ATOM 5781 C C . THR B 1 198 ? 3.699 15.896 -45.922 1.00 37.88 ? 198 THR B C 1 ATOM 5782 O O . THR B 1 198 ? 2.928 15.058 -46.386 1.00 38.86 ? 198 THR B O 1 ATOM 5783 C CB . THR B 1 198 ? 2.116 17.589 -44.897 1.00 34.11 ? 198 THR B CB 1 ATOM 5784 O OG1 . THR B 1 198 ? 1.835 18.971 -44.908 1.00 39.45 ? 198 THR B OG1 1 ATOM 5785 C CG2 . THR B 1 198 ? 2.443 17.160 -43.451 1.00 32.99 ? 198 THR B CG2 1 ATOM 5786 N N . LEU B 1 199 ? 4.902 15.582 -45.447 1.00 34.16 ? 199 LEU B N 1 ATOM 5787 C CA . LEU B 1 199 ? 5.324 14.180 -45.332 1.00 33.09 ? 199 LEU B CA 1 ATOM 5788 C C . LEU B 1 199 ? 4.866 13.684 -43.961 1.00 36.95 ? 199 LEU B C 1 ATOM 5789 O O . LEU B 1 199 ? 4.983 14.401 -42.986 1.00 36.02 ? 199 LEU B O 1 ATOM 5790 C CB . LEU B 1 199 ? 6.865 14.028 -45.376 1.00 32.23 ? 199 LEU B CB 1 ATOM 5791 C CG . LEU B 1 199 ? 7.620 14.584 -46.579 1.00 37.13 ? 199 LEU B CG 1 ATOM 5792 C CD1 . LEU B 1 199 ? 9.098 14.196 -46.507 1.00 35.92 ? 199 LEU B CD1 1 ATOM 5793 C CD2 . LEU B 1 199 ? 6.990 14.123 -47.918 1.00 35.83 ? 199 LEU B CD2 1 ATOM 5794 N N . PHE B 1 200 ? 4.359 12.471 -43.879 1.00 34.94 ? 200 PHE B N 1 ATOM 5795 C CA . PHE B 1 200 ? 4.063 11.862 -42.584 1.00 33.57 ? 200 PHE B CA 1 ATOM 5796 C C . PHE B 1 200 ? 4.454 10.397 -42.682 1.00 36.56 ? 200 PHE B C 1 ATOM 5797 O O . PHE B 1 200 ? 4.391 9.819 -43.757 1.00 35.88 ? 200 PHE B O 1 ATOM 5798 C CB . PHE B 1 200 ? 2.628 12.132 -42.050 1.00 34.74 ? 200 PHE B CB 1 ATOM 5799 C CG . PHE B 1 200 ? 1.436 11.444 -42.679 1.00 36.48 ? 200 PHE B CG 1 ATOM 5800 C CD1 . PHE B 1 200 ? 1.227 11.491 -44.057 1.00 36.33 ? 200 PHE B CD1 1 ATOM 5801 C CD2 . PHE B 1 200 ? 0.450 10.864 -41.884 1.00 38.28 ? 200 PHE B CD2 1 ATOM 5802 C CE1 . PHE B 1 200 ? 0.095 10.897 -44.631 1.00 37.67 ? 200 PHE B CE1 1 ATOM 5803 C CE2 . PHE B 1 200 ? -0.686 10.275 -42.463 1.00 40.91 ? 200 PHE B CE2 1 ATOM 5804 C CZ . PHE B 1 200 ? -0.858 10.302 -43.834 1.00 38.53 ? 200 PHE B CZ 1 ATOM 5805 N N . GLY B 1 201 ? 5.009 9.868 -41.606 1.00 32.52 ? 201 GLY B N 1 ATOM 5806 C CA . GLY B 1 201 ? 5.453 8.489 -41.568 1.00 31.76 ? 201 GLY B CA 1 ATOM 5807 C C . GLY B 1 201 ? 5.509 7.990 -40.150 1.00 36.77 ? 201 GLY B C 1 ATOM 5808 O O . GLY B 1 201 ? 5.517 8.781 -39.204 1.00 36.07 ? 201 GLY B O 1 ATOM 5809 N N . GLU B 1 202 ? 5.550 6.682 -39.998 1.00 33.44 ? 202 GLU B N 1 ATOM 5810 C CA . GLU B 1 202 ? 5.628 6.105 -38.672 1.00 32.78 ? 202 GLU B CA 1 ATOM 5811 C C . GLU B 1 202 ? 6.805 5.138 -38.617 1.00 37.95 ? 202 GLU B C 1 ATOM 5812 O O . GLU B 1 202 ? 7.086 4.435 -39.596 1.00 36.55 ? 202 GLU B O 1 ATOM 5813 C CB . GLU B 1 202 ? 4.286 5.500 -38.233 1.00 34.26 ? 202 GLU B CB 1 ATOM 5814 C CG . GLU B 1 202 ? 4.239 4.919 -36.820 1.00 38.15 ? 202 GLU B CG 1 ATOM 5815 C CD . GLU B 1 202 ? 4.695 3.472 -36.730 1.00 51.08 ? 202 GLU B CD 1 ATOM 5816 O OE1 . GLU B 1 202 ? 4.909 2.857 -37.796 1.00 42.25 ? 202 GLU B OE1 1 ATOM 5817 O OE2 . GLU B 1 202 ? 4.847 2.946 -35.607 1.00 40.97 ? 202 GLU B OE2 1 ATOM 5818 N N . SER B 1 203 ? 7.538 5.177 -37.481 1.00 33.81 ? 203 SER B N 1 ATOM 5819 C CA . SER B 1 203 ? 8.686 4.325 -37.185 1.00 33.12 ? 203 SER B CA 1 ATOM 5820 C C . SER B 1 203 ? 9.810 4.500 -38.221 1.00 35.14 ? 203 SER B C 1 ATOM 5821 O O . SER B 1 203 ? 10.269 5.634 -38.357 1.00 35.41 ? 203 SER B O 1 ATOM 5822 C CB . SER B 1 203 ? 8.219 2.890 -37.029 1.00 37.34 ? 203 SER B CB 1 ATOM 5823 O OG . SER B 1 203 ? 9.272 2.192 -36.411 1.00 49.48 ? 203 SER B OG 1 ATOM 5824 N N . ALA B 1 204 ? 10.201 3.454 -39.016 1.00 32.25 ? 204 ALA B N 1 ATOM 5825 C CA . ALA B 1 204 ? 11.210 3.630 -40.082 1.00 31.60 ? 204 ALA B CA 1 ATOM 5826 C C . ALA B 1 204 ? 10.735 4.662 -41.137 1.00 34.83 ? 204 ALA B C 1 ATOM 5827 O O . ALA B 1 204 ? 11.555 5.370 -41.729 1.00 35.10 ? 204 ALA B O 1 ATOM 5828 C CB . ALA B 1 204 ? 11.543 2.301 -40.739 1.00 33.07 ? 204 ALA B CB 1 ATOM 5829 N N . GLY B 1 205 ? 9.417 4.813 -41.279 1.00 32.37 ? 205 GLY B N 1 ATOM 5830 C CA . GLY B 1 205 ? 8.814 5.833 -42.139 1.00 32.21 ? 205 GLY B CA 1 ATOM 5831 C C . GLY B 1 205 ? 9.046 7.230 -41.581 1.00 35.62 ? 205 GLY B C 1 ATOM 5832 O O . GLY B 1 205 ? 9.291 8.171 -42.334 1.00 35.52 ? 205 GLY B O 1 ATOM 5833 N N . ALA B 1 206 ? 9.021 7.370 -40.242 1.00 32.43 ? 206 ALA B N 1 ATOM 5834 C CA . ALA B 1 206 ? 9.284 8.638 -39.557 1.00 30.96 ? 206 ALA B CA 1 ATOM 5835 C C . ALA B 1 206 ? 10.786 8.938 -39.623 1.00 34.43 ? 206 ALA B C 1 ATOM 5836 O O . ALA B 1 206 ? 11.171 10.076 -39.877 1.00 33.88 ? 206 ALA B O 1 ATOM 5837 C CB . ALA B 1 206 ? 8.808 8.558 -38.111 1.00 31.07 ? 206 ALA B CB 1 ATOM 5838 N N . ALA B 1 207 ? 11.635 7.908 -39.463 1.00 32.72 ? 207 ALA B N 1 ATOM 5839 C CA . ALA B 1 207 ? 13.087 8.048 -39.596 1.00 32.59 ? 207 ALA B CA 1 ATOM 5840 C C . ALA B 1 207 ? 13.414 8.515 -41.037 1.00 36.16 ? 207 ALA B C 1 ATOM 5841 O O . ALA B 1 207 ? 14.252 9.402 -41.210 1.00 35.59 ? 207 ALA B O 1 ATOM 5842 C CB . ALA B 1 207 ? 13.773 6.717 -39.298 1.00 33.83 ? 207 ALA B CB 1 ATOM 5843 N N . SER B 1 208 ? 12.701 7.958 -42.063 1.00 31.59 ? 208 SER B N 1 ATOM 5844 C CA . SER B 1 208 ? 12.813 8.345 -43.493 1.00 30.65 ? 208 SER B CA 1 ATOM 5845 C C . SER B 1 208 ? 12.438 9.810 -43.674 1.00 33.80 ? 208 SER B C 1 ATOM 5846 O O . SER B 1 208 ? 13.201 10.538 -44.294 1.00 33.56 ? 208 SER B O 1 ATOM 5847 C CB . SER B 1 208 ? 11.904 7.484 -44.376 1.00 31.37 ? 208 SER B CB 1 ATOM 5848 O OG . SER B 1 208 ? 12.316 6.128 -44.375 1.00 35.48 ? 208 SER B OG 1 ATOM 5849 N N . VAL B 1 209 ? 11.284 10.246 -43.120 1.00 30.29 ? 209 VAL B N 1 ATOM 5850 C CA . VAL B 1 209 ? 10.841 11.663 -43.137 1.00 30.71 ? 209 VAL B CA 1 ATOM 5851 C C . VAL B 1 209 ? 11.978 12.572 -42.589 1.00 34.34 ? 209 VAL B C 1 ATOM 5852 O O . VAL B 1 209 ? 12.320 13.586 -43.212 1.00 35.60 ? 209 VAL B O 1 ATOM 5853 C CB . VAL B 1 209 ? 9.492 11.870 -42.354 1.00 33.70 ? 209 VAL B CB 1 ATOM 5854 C CG1 . VAL B 1 209 ? 9.184 13.349 -42.147 1.00 33.29 ? 209 VAL B CG1 1 ATOM 5855 C CG2 . VAL B 1 209 ? 8.327 11.192 -43.082 1.00 33.94 ? 209 VAL B CG2 1 ATOM 5856 N N . GLY B 1 210 ? 12.553 12.190 -41.446 1.00 30.41 ? 210 GLY B N 1 ATOM 5857 C CA . GLY B 1 210 ? 13.672 12.916 -40.843 1.00 31.01 ? 210 GLY B CA 1 ATOM 5858 C C . GLY B 1 210 ? 14.888 12.994 -41.744 1.00 35.57 ? 210 GLY B C 1 ATOM 5859 O O . GLY B 1 210 ? 15.576 14.010 -41.786 1.00 36.58 ? 210 GLY B O 1 ATOM 5860 N N . MET B 1 211 ? 15.149 11.939 -42.494 1.00 33.85 ? 211 MET B N 1 ATOM 5861 C CA . MET B 1 211 ? 16.269 11.950 -43.429 1.00 36.61 ? 211 MET B CA 1 ATOM 5862 C C . MET B 1 211 ? 16.017 12.851 -44.643 1.00 38.66 ? 211 MET B C 1 ATOM 5863 O O . MET B 1 211 ? 16.962 13.480 -45.108 1.00 38.40 ? 211 MET B O 1 ATOM 5864 C CB . MET B 1 211 ? 16.687 10.540 -43.789 1.00 39.79 ? 211 MET B CB 1 ATOM 5865 C CG . MET B 1 211 ? 17.595 9.994 -42.650 1.00 45.49 ? 211 MET B CG 1 ATOM 5866 S SD . MET B 1 211 ? 17.620 8.260 -42.807 1.00 52.97 ? 211 MET B SD 1 ATOM 5867 C CE . MET B 1 211 ? 17.557 7.745 -41.109 1.00 48.27 ? 211 MET B CE 1 ATOM 5868 N N . HIS B 1 212 ? 14.749 13.041 -45.046 1.00 32.83 ? 212 HIS B N 1 ATOM 5869 C CA . HIS B 1 212 ? 14.416 14.004 -46.095 1.00 33.19 ? 212 HIS B CA 1 ATOM 5870 C C . HIS B 1 212 ? 14.583 15.427 -45.560 1.00 38.95 ? 212 HIS B C 1 ATOM 5871 O O . HIS B 1 212 ? 15.078 16.287 -46.283 1.00 39.78 ? 212 HIS B O 1 ATOM 5872 C CB . HIS B 1 212 ? 13.013 13.761 -46.657 1.00 32.91 ? 212 HIS B CB 1 ATOM 5873 C CG . HIS B 1 212 ? 12.924 12.478 -47.416 1.00 34.74 ? 212 HIS B CG 1 ATOM 5874 N ND1 . HIS B 1 212 ? 13.631 12.285 -48.584 1.00 36.69 ? 212 HIS B ND1 1 ATOM 5875 C CD2 . HIS B 1 212 ? 12.226 11.358 -47.137 1.00 34.76 ? 212 HIS B CD2 1 ATOM 5876 C CE1 . HIS B 1 212 ? 13.352 11.056 -48.978 1.00 35.02 ? 212 HIS B CE1 1 ATOM 5877 N NE2 . HIS B 1 212 ? 12.514 10.455 -48.134 1.00 34.57 ? 212 HIS B NE2 1 ATOM 5878 N N . ILE B 1 213 ? 14.286 15.650 -44.254 1.00 35.14 ? 213 ILE B N 1 ATOM 5879 C CA . ILE B 1 213 ? 14.516 16.962 -43.614 1.00 34.25 ? 213 ILE B CA 1 ATOM 5880 C C . ILE B 1 213 ? 16.032 17.283 -43.627 1.00 39.33 ? 213 ILE B C 1 ATOM 5881 O O . ILE B 1 213 ? 16.426 18.434 -43.808 1.00 41.03 ? 213 ILE B O 1 ATOM 5882 C CB . ILE B 1 213 ? 13.951 16.979 -42.160 1.00 35.27 ? 213 ILE B CB 1 ATOM 5883 C CG1 . ILE B 1 213 ? 12.396 16.940 -42.154 1.00 34.29 ? 213 ILE B CG1 1 ATOM 5884 C CG2 . ILE B 1 213 ? 14.518 18.169 -41.317 1.00 34.79 ? 213 ILE B CG2 1 ATOM 5885 C CD1 . ILE B 1 213 ? 11.757 16.627 -40.795 1.00 35.03 ? 213 ILE B CD1 1 ATOM 5886 N N . LEU B 1 214 ? 16.867 16.260 -43.441 1.00 35.74 ? 214 LEU B N 1 ATOM 5887 C CA . LEU B 1 214 ? 18.328 16.387 -43.337 1.00 36.41 ? 214 LEU B CA 1 ATOM 5888 C C . LEU B 1 214 ? 19.088 16.267 -44.642 1.00 41.29 ? 214 LEU B C 1 ATOM 5889 O O . LEU B 1 214 ? 20.306 16.465 -44.651 1.00 41.79 ? 214 LEU B O 1 ATOM 5890 C CB . LEU B 1 214 ? 18.876 15.366 -42.315 1.00 35.89 ? 214 LEU B CB 1 ATOM 5891 C CG . LEU B 1 214 ? 18.308 15.468 -40.891 1.00 38.62 ? 214 LEU B CG 1 ATOM 5892 C CD1 . LEU B 1 214 ? 18.886 14.403 -40.009 1.00 39.65 ? 214 LEU B CD1 1 ATOM 5893 C CD2 . LEU B 1 214 ? 18.504 16.862 -40.292 1.00 38.85 ? 214 LEU B CD2 1 ATOM 5894 N N . SER B 1 215 ? 18.393 15.943 -45.744 1.00 38.29 ? 215 SER B N 1 ATOM 5895 C CA . SER B 1 215 ? 19.037 15.832 -47.051 1.00 38.64 ? 215 SER B CA 1 ATOM 5896 C C . SER B 1 215 ? 18.521 16.941 -47.949 1.00 44.82 ? 215 SER B C 1 ATOM 5897 O O . SER B 1 215 ? 17.351 16.944 -48.338 1.00 43.37 ? 215 SER B O 1 ATOM 5898 C CB . SER B 1 215 ? 18.809 14.461 -47.666 1.00 38.88 ? 215 SER B CB 1 ATOM 5899 O OG . SER B 1 215 ? 19.700 14.258 -48.755 1.00 44.29 ? 215 SER B OG 1 ATOM 5900 N N . LEU B 1 216 ? 19.394 17.907 -48.239 1.00 45.61 ? 216 LEU B N 1 ATOM 5901 C CA . LEU B 1 216 ? 19.087 19.091 -49.023 1.00 47.48 ? 216 LEU B CA 1 ATOM 5902 C C . LEU B 1 216 ? 18.331 18.830 -50.336 1.00 47.33 ? 216 LEU B C 1 ATOM 5903 O O . LEU B 1 216 ? 17.313 19.500 -50.509 1.00 46.82 ? 216 LEU B O 1 ATOM 5904 C CB . LEU B 1 216 ? 20.329 19.919 -49.268 1.00 50.32 ? 216 LEU B CB 1 ATOM 5905 C CG . LEU B 1 216 ? 20.118 21.410 -48.990 1.00 58.65 ? 216 LEU B CG 1 ATOM 5906 C CD1 . LEU B 1 216 ? 20.666 21.839 -47.584 1.00 59.92 ? 216 LEU B CD1 1 ATOM 5907 C CD2 . LEU B 1 216 ? 20.688 22.235 -50.118 1.00 61.83 ? 216 LEU B CD2 1 ATOM 5908 N N . PRO B 1 217 ? 18.682 17.860 -51.221 1.00 41.38 ? 217 PRO B N 1 ATOM 5909 C CA . PRO B 1 217 ? 17.867 17.684 -52.445 1.00 40.69 ? 217 PRO B CA 1 ATOM 5910 C C . PRO B 1 217 ? 16.396 17.330 -52.192 1.00 43.53 ? 217 PRO B C 1 ATOM 5911 O O . PRO B 1 217 ? 15.569 17.544 -53.069 1.00 44.28 ? 217 PRO B O 1 ATOM 5912 C CB . PRO B 1 217 ? 18.619 16.598 -53.225 1.00 41.54 ? 217 PRO B CB 1 ATOM 5913 C CG . PRO B 1 217 ? 20.033 16.687 -52.715 1.00 45.09 ? 217 PRO B CG 1 ATOM 5914 C CD . PRO B 1 217 ? 19.855 16.958 -51.247 1.00 41.74 ? 217 PRO B CD 1 ATOM 5915 N N . SER B 1 218 ? 16.055 16.808 -51.003 1.00 39.01 ? 218 SER B N 1 ATOM 5916 C CA . SER B 1 218 ? 14.649 16.491 -50.682 1.00 37.32 ? 218 SER B CA 1 ATOM 5917 C C . SER B 1 218 ? 13.878 17.704 -50.184 1.00 41.78 ? 218 SER B C 1 ATOM 5918 O O . SER B 1 218 ? 12.660 17.747 -50.319 1.00 38.80 ? 218 SER B O 1 ATOM 5919 C CB . SER B 1 218 ? 14.575 15.414 -49.610 1.00 37.51 ? 218 SER B CB 1 ATOM 5920 O OG . SER B 1 218 ? 15.001 14.155 -50.100 1.00 41.55 ? 218 SER B OG 1 ATOM 5921 N N . ARG B 1 219 ? 14.597 18.693 -49.608 1.00 41.99 ? 219 ARG B N 1 ATOM 5922 C CA A ARG B 1 219 ? 13.989 19.863 -48.966 0.50 41.87 ? 219 ARG B CA 1 ATOM 5923 C CA B ARG B 1 219 ? 14.024 19.878 -48.971 0.50 42.35 ? 219 ARG B CA 1 ATOM 5924 C C . ARG B 1 219 ? 13.144 20.738 -49.887 1.00 47.04 ? 219 ARG B C 1 ATOM 5925 O O . ARG B 1 219 ? 12.189 21.336 -49.406 1.00 49.04 ? 219 ARG B O 1 ATOM 5926 C CB A ARG B 1 219 ? 15.032 20.694 -48.211 0.50 41.22 ? 219 ARG B CB 1 ATOM 5927 C CB B ARG B 1 219 ? 15.113 20.719 -48.273 0.50 43.77 ? 219 ARG B CB 1 ATOM 5928 C CG A ARG B 1 219 ? 15.514 19.996 -46.932 0.50 37.34 ? 219 ARG B CG 1 ATOM 5929 C CG B ARG B 1 219 ? 15.515 20.148 -46.884 0.50 48.53 ? 219 ARG B CG 1 ATOM 5930 C CD A ARG B 1 219 ? 14.448 19.892 -45.831 0.50 38.13 ? 219 ARG B CD 1 ATOM 5931 C CD B ARG B 1 219 ? 14.550 20.483 -45.728 0.50 57.75 ? 219 ARG B CD 1 ATOM 5932 N NE A ARG B 1 219 ? 14.073 21.191 -45.261 0.50 37.14 ? 219 ARG B NE 1 ATOM 5933 N NE B ARG B 1 219 ? 13.174 20.584 -46.212 0.50 62.96 ? 219 ARG B NE 1 ATOM 5934 C CZ A ARG B 1 219 ? 14.772 21.849 -44.345 0.50 40.68 ? 219 ARG B CZ 1 ATOM 5935 C CZ B ARG B 1 219 ? 12.442 21.693 -46.214 0.50 68.10 ? 219 ARG B CZ 1 ATOM 5936 N NH1 A ARG B 1 219 ? 15.892 21.333 -43.857 0.50 25.98 ? 219 ARG B NH1 1 ATOM 5937 N NH1 B ARG B 1 219 ? 11.253 21.701 -46.785 0.50 27.80 ? 219 ARG B NH1 1 ATOM 5938 N NH2 A ARG B 1 219 ? 14.361 23.031 -43.916 0.50 39.31 ? 219 ARG B NH2 1 ATOM 5939 N NH2 B ARG B 1 219 ? 12.895 22.800 -45.635 0.50 67.00 ? 219 ARG B NH2 1 ATOM 5940 N N . SER B 1 220 ? 13.404 20.748 -51.199 1.00 43.50 ? 220 SER B N 1 ATOM 5941 C CA . SER B 1 220 ? 12.577 21.508 -52.129 1.00 44.77 ? 220 SER B CA 1 ATOM 5942 C C . SER B 1 220 ? 11.284 20.729 -52.506 1.00 46.95 ? 220 SER B C 1 ATOM 5943 O O . SER B 1 220 ? 10.444 21.256 -53.229 1.00 47.24 ? 220 SER B O 1 ATOM 5944 C CB . SER B 1 220 ? 13.371 21.841 -53.394 1.00 50.46 ? 220 SER B CB 1 ATOM 5945 O OG . SER B 1 220 ? 13.876 20.672 -54.024 1.00 59.70 ? 220 SER B OG 1 ATOM 5946 N N . LEU B 1 221 ? 11.119 19.493 -52.004 1.00 41.42 ? 221 LEU B N 1 ATOM 5947 C CA . LEU B 1 221 ? 9.990 18.637 -52.383 1.00 39.89 ? 221 LEU B CA 1 ATOM 5948 C C . LEU B 1 221 ? 8.845 18.562 -51.363 1.00 41.56 ? 221 LEU B C 1 ATOM 5949 O O . LEU B 1 221 ? 7.862 17.866 -51.602 1.00 40.54 ? 221 LEU B O 1 ATOM 5950 C CB . LEU B 1 221 ? 10.522 17.222 -52.704 1.00 38.94 ? 221 LEU B CB 1 ATOM 5951 C CG . LEU B 1 221 ? 11.691 17.124 -53.709 1.00 42.01 ? 221 LEU B CG 1 ATOM 5952 C CD1 . LEU B 1 221 ? 12.196 15.718 -53.804 1.00 40.33 ? 221 LEU B CD1 1 ATOM 5953 C CD2 . LEU B 1 221 ? 11.320 17.663 -55.099 1.00 42.13 ? 221 LEU B CD2 1 ATOM 5954 N N . PHE B 1 222 ? 8.959 19.264 -50.239 1.00 37.37 ? 222 PHE B N 1 ATOM 5955 C CA . PHE B 1 222 ? 7.924 19.255 -49.200 1.00 37.82 ? 222 PHE B CA 1 ATOM 5956 C C . PHE B 1 222 ? 8.087 20.485 -48.326 1.00 43.00 ? 222 PHE B C 1 ATOM 5957 O O . PHE B 1 222 ? 9.133 21.124 -48.363 1.00 42.71 ? 222 PHE B O 1 ATOM 5958 C CB . PHE B 1 222 ? 7.965 17.954 -48.364 1.00 38.54 ? 222 PHE B CB 1 ATOM 5959 C CG . PHE B 1 222 ? 9.182 17.806 -47.482 1.00 38.21 ? 222 PHE B CG 1 ATOM 5960 C CD1 . PHE B 1 222 ? 10.391 17.356 -48.006 1.00 39.50 ? 222 PHE B CD1 1 ATOM 5961 C CD2 . PHE B 1 222 ? 9.107 18.072 -46.115 1.00 37.66 ? 222 PHE B CD2 1 ATOM 5962 C CE1 . PHE B 1 222 ? 11.521 17.230 -47.189 1.00 39.48 ? 222 PHE B CE1 1 ATOM 5963 C CE2 . PHE B 1 222 ? 10.231 17.925 -45.295 1.00 39.88 ? 222 PHE B CE2 1 ATOM 5964 C CZ . PHE B 1 222 ? 11.426 17.488 -45.836 1.00 38.43 ? 222 PHE B CZ 1 ATOM 5965 N N . HIS B 1 223 ? 7.053 20.824 -47.555 1.00 40.50 ? 223 HIS B N 1 ATOM 5966 C CA . HIS B 1 223 ? 7.033 22.049 -46.763 1.00 40.88 ? 223 HIS B CA 1 ATOM 5967 C C . HIS B 1 223 ? 6.897 21.800 -45.276 1.00 45.61 ? 223 HIS B C 1 ATOM 5968 O O . HIS B 1 223 ? 7.280 22.658 -44.486 1.00 45.83 ? 223 HIS B O 1 ATOM 5969 C CB . HIS B 1 223 ? 5.880 22.932 -47.283 1.00 42.56 ? 223 HIS B CB 1 ATOM 5970 C CG . HIS B 1 223 ? 5.875 23.005 -48.781 1.00 46.49 ? 223 HIS B CG 1 ATOM 5971 N ND1 . HIS B 1 223 ? 6.513 24.025 -49.450 1.00 49.09 ? 223 HIS B ND1 1 ATOM 5972 C CD2 . HIS B 1 223 ? 5.381 22.135 -49.686 1.00 47.34 ? 223 HIS B CD2 1 ATOM 5973 C CE1 . HIS B 1 223 ? 6.405 23.737 -50.730 1.00 48.62 ? 223 HIS B CE1 1 ATOM 5974 N NE2 . HIS B 1 223 ? 5.721 22.625 -50.924 1.00 48.45 ? 223 HIS B NE2 1 ATOM 5975 N N . ARG B 1 224 ? 6.318 20.648 -44.886 1.00 41.99 ? 224 ARG B N 1 ATOM 5976 C CA . ARG B 1 224 ? 6.020 20.300 -43.482 1.00 40.83 ? 224 ARG B CA 1 ATOM 5977 C C . ARG B 1 224 ? 6.243 18.814 -43.288 1.00 40.95 ? 224 ARG B C 1 ATOM 5978 O O . ARG B 1 224 ? 6.213 18.071 -44.269 1.00 39.06 ? 224 ARG B O 1 ATOM 5979 C CB . ARG B 1 224 ? 4.540 20.642 -43.175 1.00 43.73 ? 224 ARG B CB 1 ATOM 5980 C CG . ARG B 1 224 ? 4.346 22.076 -42.825 1.00 56.95 ? 224 ARG B CG 1 ATOM 5981 C CD . ARG B 1 224 ? 2.896 22.498 -42.779 1.00 58.00 ? 224 ARG B CD 1 ATOM 5982 N NE . ARG B 1 224 ? 2.249 22.480 -44.079 1.00 67.73 ? 224 ARG B NE 1 ATOM 5983 C CZ . ARG B 1 224 ? 2.426 23.389 -45.031 1.00 73.49 ? 224 ARG B CZ 1 ATOM 5984 N NH1 . ARG B 1 224 ? 3.265 24.401 -44.846 1.00 50.29 ? 224 ARG B NH1 1 ATOM 5985 N NH2 . ARG B 1 224 ? 1.794 23.274 -46.185 1.00 65.86 ? 224 ARG B NH2 1 ATOM 5986 N N . ALA B 1 225 ? 6.438 18.373 -42.023 1.00 37.19 ? 225 ALA B N 1 ATOM 5987 C CA . ALA B 1 225 ? 6.727 16.975 -41.714 1.00 35.81 ? 225 ALA B CA 1 ATOM 5988 C C . ALA B 1 225 ? 6.099 16.455 -40.422 1.00 38.86 ? 225 ALA B C 1 ATOM 5989 O O . ALA B 1 225 ? 6.025 17.172 -39.437 1.00 36.61 ? 225 ALA B O 1 ATOM 5990 C CB . ALA B 1 225 ? 8.228 16.780 -41.661 1.00 35.96 ? 225 ALA B CB 1 ATOM 5991 N N . VAL B 1 226 ? 5.672 15.184 -40.430 1.00 35.48 ? 226 VAL B N 1 ATOM 5992 C CA . VAL B 1 226 ? 5.123 14.495 -39.257 1.00 33.81 ? 226 VAL B CA 1 ATOM 5993 C C . VAL B 1 226 ? 5.977 13.265 -39.025 1.00 37.70 ? 226 VAL B C 1 ATOM 5994 O O . VAL B 1 226 ? 6.125 12.452 -39.938 1.00 35.24 ? 226 VAL B O 1 ATOM 5995 C CB . VAL B 1 226 ? 3.619 14.113 -39.386 1.00 36.37 ? 226 VAL B CB 1 ATOM 5996 C CG1 . VAL B 1 226 ? 3.092 13.546 -38.063 1.00 36.08 ? 226 VAL B CG1 1 ATOM 5997 C CG2 . VAL B 1 226 ? 2.778 15.311 -39.837 1.00 35.93 ? 226 VAL B CG2 1 ATOM 5998 N N . LEU B 1 227 ? 6.581 13.147 -37.827 1.00 34.81 ? 227 LEU B N 1 ATOM 5999 C CA . LEU B 1 227 ? 7.416 11.998 -37.475 1.00 34.43 ? 227 LEU B CA 1 ATOM 6000 C C . LEU B 1 227 ? 6.736 11.250 -36.337 1.00 37.16 ? 227 LEU B C 1 ATOM 6001 O O . LEU B 1 227 ? 6.759 11.715 -35.196 1.00 35.75 ? 227 LEU B O 1 ATOM 6002 C CB . LEU B 1 227 ? 8.848 12.438 -37.070 1.00 34.50 ? 227 LEU B CB 1 ATOM 6003 C CG . LEU B 1 227 ? 9.746 12.934 -38.234 1.00 37.06 ? 227 LEU B CG 1 ATOM 6004 C CD1 . LEU B 1 227 ? 9.546 14.425 -38.482 1.00 36.23 ? 227 LEU B CD1 1 ATOM 6005 C CD2 . LEU B 1 227 ? 11.207 12.687 -37.911 1.00 37.77 ? 227 LEU B CD2 1 ATOM 6006 N N . GLN B 1 228 ? 6.087 10.112 -36.651 1.00 32.38 ? 228 GLN B N 1 ATOM 6007 C CA . GLN B 1 228 ? 5.380 9.334 -35.638 1.00 31.65 ? 228 GLN B CA 1 ATOM 6008 C C . GLN B 1 228 ? 6.254 8.199 -35.179 1.00 37.28 ? 228 GLN B C 1 ATOM 6009 O O . GLN B 1 228 ? 6.575 7.319 -35.976 1.00 37.84 ? 228 GLN B O 1 ATOM 6010 C CB . GLN B 1 228 ? 4.063 8.768 -36.196 1.00 32.94 ? 228 GLN B CB 1 ATOM 6011 C CG . GLN B 1 228 ? 3.136 9.829 -36.770 1.00 33.71 ? 228 GLN B CG 1 ATOM 6012 C CD . GLN B 1 228 ? 1.943 9.290 -37.499 1.00 40.26 ? 228 GLN B CD 1 ATOM 6013 O OE1 . GLN B 1 228 ? 1.400 9.977 -38.353 1.00 36.38 ? 228 GLN B OE1 1 ATOM 6014 N NE2 . GLN B 1 228 ? 1.459 8.090 -37.148 1.00 36.36 ? 228 GLN B NE2 1 ATOM 6015 N N . SER B 1 229 ? 6.629 8.196 -33.897 1.00 34.24 ? 229 SER B N 1 ATOM 6016 C CA . SER B 1 229 ? 7.423 7.107 -33.269 1.00 33.69 ? 229 SER B CA 1 ATOM 6017 C C . SER B 1 229 ? 8.714 6.730 -34.029 1.00 36.83 ? 229 SER B C 1 ATOM 6018 O O . SER B 1 229 ? 9.029 5.563 -34.151 1.00 37.30 ? 229 SER B O 1 ATOM 6019 C CB . SER B 1 229 ? 6.548 5.864 -33.082 1.00 36.81 ? 229 SER B CB 1 ATOM 6020 O OG . SER B 1 229 ? 5.306 6.176 -32.460 1.00 37.86 ? 229 SER B OG 1 ATOM 6021 N N . GLY B 1 230 ? 9.462 7.711 -34.511 1.00 33.29 ? 230 GLY B N 1 ATOM 6022 C CA . GLY B 1 230 ? 10.696 7.417 -35.224 1.00 32.84 ? 230 GLY B CA 1 ATOM 6023 C C . GLY B 1 230 ? 11.431 8.682 -35.536 1.00 34.33 ? 230 GLY B C 1 ATOM 6024 O O . GLY B 1 230 ? 10.819 9.740 -35.619 1.00 33.88 ? 230 GLY B O 1 ATOM 6025 N N . THR B 1 231 ? 12.756 8.585 -35.674 1.00 32.06 ? 231 THR B N 1 ATOM 6026 C CA . THR B 1 231 ? 13.641 9.731 -35.895 1.00 32.21 ? 231 THR B CA 1 ATOM 6027 C C . THR B 1 231 ? 14.838 9.315 -36.719 1.00 35.78 ? 231 THR B C 1 ATOM 6028 O O . THR B 1 231 ? 15.222 8.143 -36.639 1.00 35.04 ? 231 THR B O 1 ATOM 6029 C CB . THR B 1 231 ? 14.198 10.255 -34.512 1.00 37.99 ? 231 THR B CB 1 ATOM 6030 O OG1 . THR B 1 231 ? 14.867 9.191 -33.818 1.00 36.33 ? 231 THR B OG1 1 ATOM 6031 C CG2 . THR B 1 231 ? 13.137 10.853 -33.624 1.00 35.20 ? 231 THR B CG2 1 ATOM 6032 N N . PRO B 1 232 ? 15.504 10.264 -37.433 1.00 32.81 ? 232 PRO B N 1 ATOM 6033 C CA . PRO B 1 232 ? 16.730 9.887 -38.183 1.00 33.73 ? 232 PRO B CA 1 ATOM 6034 C C . PRO B 1 232 ? 17.921 9.629 -37.241 1.00 39.19 ? 232 PRO B C 1 ATOM 6035 O O . PRO B 1 232 ? 18.771 8.785 -37.528 1.00 39.76 ? 232 PRO B O 1 ATOM 6036 C CB . PRO B 1 232 ? 16.970 11.080 -39.118 1.00 34.10 ? 232 PRO B CB 1 ATOM 6037 C CG . PRO B 1 232 ? 16.350 12.252 -38.377 1.00 38.22 ? 232 PRO B CG 1 ATOM 6038 C CD . PRO B 1 232 ? 15.163 11.695 -37.619 1.00 33.19 ? 232 PRO B CD 1 ATOM 6039 N N . ASN B 1 233 ? 17.998 10.389 -36.136 1.00 34.24 ? 233 ASN B N 1 ATOM 6040 C CA . ASN B 1 233 ? 18.991 10.229 -35.071 1.00 34.35 ? 233 ASN B CA 1 ATOM 6041 C C . ASN B 1 233 ? 18.559 8.994 -34.269 1.00 39.49 ? 233 ASN B C 1 ATOM 6042 O O . ASN B 1 233 ? 17.460 8.473 -34.465 1.00 39.45 ? 233 ASN B O 1 ATOM 6043 C CB . ASN B 1 233 ? 19.011 11.491 -34.156 1.00 34.85 ? 233 ASN B CB 1 ATOM 6044 C CG . ASN B 1 233 ? 17.639 11.891 -33.635 1.00 45.09 ? 233 ASN B CG 1 ATOM 6045 O OD1 . ASN B 1 233 ? 16.748 12.236 -34.413 1.00 37.89 ? 233 ASN B OD1 1 ATOM 6046 N ND2 . ASN B 1 233 ? 17.432 11.845 -32.318 1.00 33.63 ? 233 ASN B ND2 1 ATOM 6047 N N . GLY B 1 234 ? 19.394 8.541 -33.356 1.00 41.24 ? 234 GLY B N 1 ATOM 6048 C CA . GLY B 1 234 ? 19.034 7.365 -32.567 1.00 41.83 ? 234 GLY B CA 1 ATOM 6049 C C . GLY B 1 234 ? 19.869 6.152 -32.930 1.00 45.22 ? 234 GLY B C 1 ATOM 6050 O O . GLY B 1 234 ? 20.665 6.210 -33.870 1.00 44.87 ? 234 GLY B O 1 ATOM 6051 N N . PRO B 1 235 ? 19.665 5.017 -32.223 1.00 40.98 ? 235 PRO B N 1 ATOM 6052 C CA . PRO B 1 235 ? 20.595 3.884 -32.373 1.00 41.72 ? 235 PRO B CA 1 ATOM 6053 C C . PRO B 1 235 ? 20.344 2.857 -33.483 1.00 44.43 ? 235 PRO B C 1 ATOM 6054 O O . PRO B 1 235 ? 21.207 2.001 -33.705 1.00 44.66 ? 235 PRO B O 1 ATOM 6055 C CB . PRO B 1 235 ? 20.511 3.209 -30.997 1.00 44.11 ? 235 PRO B CB 1 ATOM 6056 C CG . PRO B 1 235 ? 19.089 3.429 -30.584 1.00 46.94 ? 235 PRO B CG 1 ATOM 6057 C CD . PRO B 1 235 ? 18.761 4.821 -31.066 1.00 41.32 ? 235 PRO B CD 1 ATOM 6058 N N . TRP B 1 236 ? 19.190 2.912 -34.153 1.00 39.61 ? 236 TRP B N 1 ATOM 6059 C CA . TRP B 1 236 ? 18.828 1.913 -35.168 1.00 37.94 ? 236 TRP B CA 1 ATOM 6060 C C . TRP B 1 236 ? 18.653 2.411 -36.612 1.00 40.75 ? 236 TRP B C 1 ATOM 6061 O O . TRP B 1 236 ? 18.684 1.587 -37.533 1.00 40.06 ? 236 TRP B O 1 ATOM 6062 C CB . TRP B 1 236 ? 17.521 1.208 -34.729 1.00 36.08 ? 236 TRP B CB 1 ATOM 6063 C CG . TRP B 1 236 ? 16.367 2.142 -34.485 1.00 36.39 ? 236 TRP B CG 1 ATOM 6064 C CD1 . TRP B 1 236 ? 16.053 2.760 -33.302 1.00 38.75 ? 236 TRP B CD1 1 ATOM 6065 C CD2 . TRP B 1 236 ? 15.413 2.625 -35.459 1.00 36.09 ? 236 TRP B CD2 1 ATOM 6066 N NE1 . TRP B 1 236 ? 14.955 3.572 -33.467 1.00 37.52 ? 236 TRP B NE1 1 ATOM 6067 C CE2 . TRP B 1 236 ? 14.549 3.523 -34.787 1.00 39.41 ? 236 TRP B CE2 1 ATOM 6068 C CE3 . TRP B 1 236 ? 15.179 2.354 -36.830 1.00 37.88 ? 236 TRP B CE3 1 ATOM 6069 C CZ2 . TRP B 1 236 ? 13.464 4.147 -35.434 1.00 37.81 ? 236 TRP B CZ2 1 ATOM 6070 C CZ3 . TRP B 1 236 ? 14.132 3.006 -37.481 1.00 38.40 ? 236 TRP B CZ3 1 ATOM 6071 C CH2 . TRP B 1 236 ? 13.283 3.881 -36.783 1.00 38.62 ? 236 TRP B CH2 1 ATOM 6072 N N . ALA B 1 237 ? 18.336 3.706 -36.803 1.00 37.76 ? 237 ALA B N 1 ATOM 6073 C CA . ALA B 1 237 ? 17.951 4.266 -38.119 1.00 36.48 ? 237 ALA B CA 1 ATOM 6074 C C . ALA B 1 237 ? 19.084 4.363 -39.126 1.00 40.72 ? 237 ALA B C 1 ATOM 6075 O O . ALA B 1 237 ? 18.815 4.412 -40.326 1.00 38.72 ? 237 ALA B O 1 ATOM 6076 C CB . ALA B 1 237 ? 17.269 5.627 -37.946 1.00 35.80 ? 237 ALA B CB 1 ATOM 6077 N N . THR B 1 238 ? 20.340 4.441 -38.653 1.00 37.95 ? 238 THR B N 1 ATOM 6078 C CA . THR B 1 238 ? 21.497 4.530 -39.549 1.00 37.81 ? 238 THR B CA 1 ATOM 6079 C C . THR B 1 238 ? 22.622 3.620 -39.079 1.00 42.72 ? 238 THR B C 1 ATOM 6080 O O . THR B 1 238 ? 22.676 3.218 -37.906 1.00 42.99 ? 238 THR B O 1 ATOM 6081 C CB . THR B 1 238 ? 22.046 5.996 -39.662 1.00 41.15 ? 238 THR B CB 1 ATOM 6082 O OG1 . THR B 1 238 ? 22.469 6.444 -38.383 1.00 39.75 ? 238 THR B OG1 1 ATOM 6083 C CG2 . THR B 1 238 ? 21.041 6.984 -40.253 1.00 35.46 ? 238 THR B CG2 1 ATOM 6084 N N . VAL B 1 239 ? 23.545 3.332 -40.001 1.00 40.40 ? 239 VAL B N 1 ATOM 6085 C CA . VAL B 1 239 ? 24.796 2.620 -39.761 1.00 40.63 ? 239 VAL B CA 1 ATOM 6086 C C . VAL B 1 239 ? 25.890 3.476 -40.391 1.00 45.06 ? 239 VAL B C 1 ATOM 6087 O O . VAL B 1 239 ? 25.602 4.277 -41.289 1.00 42.73 ? 239 VAL B O 1 ATOM 6088 C CB . VAL B 1 239 ? 24.830 1.152 -40.282 1.00 43.28 ? 239 VAL B CB 1 ATOM 6089 C CG1 . VAL B 1 239 ? 23.938 0.249 -39.426 1.00 42.34 ? 239 VAL B CG1 1 ATOM 6090 C CG2 . VAL B 1 239 ? 24.469 1.055 -41.774 1.00 42.14 ? 239 VAL B CG2 1 ATOM 6091 N N . SER B 1 240 ? 27.133 3.333 -39.915 1.00 43.82 ? 240 SER B N 1 ATOM 6092 C CA . SER B 1 240 ? 28.293 4.007 -40.502 1.00 44.53 ? 240 SER B CA 1 ATOM 6093 C C . SER B 1 240 ? 28.596 3.290 -41.836 1.00 48.05 ? 240 SER B C 1 ATOM 6094 O O . SER B 1 240 ? 28.098 2.183 -42.051 1.00 46.12 ? 240 SER B O 1 ATOM 6095 C CB . SER B 1 240 ? 29.499 3.861 -39.576 1.00 46.73 ? 240 SER B CB 1 ATOM 6096 O OG . SER B 1 240 ? 29.897 2.500 -39.539 1.00 47.26 ? 240 SER B OG 1 ATOM 6097 N N . ALA B 1 241 ? 29.446 3.888 -42.694 1.00 46.56 ? 241 ALA B N 1 ATOM 6098 C CA . ALA B 1 241 ? 29.871 3.282 -43.958 1.00 46.86 ? 241 ALA B CA 1 ATOM 6099 C C . ALA B 1 241 ? 30.619 1.968 -43.706 1.00 52.67 ? 241 ALA B C 1 ATOM 6100 O O . ALA B 1 241 ? 30.396 0.991 -44.429 1.00 52.54 ? 241 ALA B O 1 ATOM 6101 C CB . ALA B 1 241 ? 30.744 4.245 -44.744 1.00 48.35 ? 241 ALA B CB 1 ATOM 6102 N N . GLY B 1 242 ? 31.482 1.956 -42.683 1.00 50.42 ? 242 GLY B N 1 ATOM 6103 C CA . GLY B 1 242 ? 32.255 0.786 -42.270 1.00 50.73 ? 242 GLY B CA 1 ATOM 6104 C C . GLY B 1 242 ? 31.371 -0.387 -41.892 1.00 52.49 ? 242 GLY B C 1 ATOM 6105 O O . GLY B 1 242 ? 31.616 -1.510 -42.333 1.00 53.88 ? 242 GLY B O 1 ATOM 6106 N N . GLU B 1 243 ? 30.317 -0.125 -41.094 1.00 47.62 ? 243 GLU B N 1 ATOM 6107 C CA . GLU B 1 243 ? 29.352 -1.137 -40.652 1.00 46.53 ? 243 GLU B CA 1 ATOM 6108 C C . GLU B 1 243 ? 28.493 -1.667 -41.811 1.00 48.69 ? 243 GLU B C 1 ATOM 6109 O O . GLU B 1 243 ? 28.292 -2.878 -41.902 1.00 49.81 ? 243 GLU B O 1 ATOM 6110 C CB . GLU B 1 243 ? 28.498 -0.643 -39.464 1.00 46.44 ? 243 GLU B CB 1 ATOM 6111 C CG . GLU B 1 243 ? 27.564 -1.691 -38.845 1.00 50.76 ? 243 GLU B CG 1 ATOM 6112 C CD . GLU B 1 243 ? 28.158 -2.987 -38.307 1.00 60.79 ? 243 GLU B CD 1 ATOM 6113 O OE1 . GLU B 1 243 ? 27.368 -3.889 -37.952 1.00 50.93 ? 243 GLU B OE1 1 ATOM 6114 O OE2 . GLU B 1 243 ? 29.401 -3.118 -38.249 1.00 58.70 ? 243 GLU B OE2 1 ATOM 6115 N N . ALA B 1 244 ? 28.024 -0.780 -42.711 1.00 44.11 ? 244 ALA B N 1 ATOM 6116 C CA . ALA B 1 244 ? 27.268 -1.188 -43.910 1.00 42.80 ? 244 ALA B CA 1 ATOM 6117 C C . ALA B 1 244 ? 28.143 -2.105 -44.786 1.00 48.27 ? 244 ALA B C 1 ATOM 6118 O O . ALA B 1 244 ? 27.668 -3.146 -45.252 1.00 47.71 ? 244 ALA B O 1 ATOM 6119 C CB . ALA B 1 244 ? 26.841 0.034 -44.707 1.00 42.24 ? 244 ALA B CB 1 ATOM 6120 N N . ARG B 1 245 ? 29.429 -1.739 -44.965 1.00 46.75 ? 245 ARG B N 1 ATOM 6121 C CA . ARG B 1 245 ? 30.387 -2.519 -45.738 1.00 49.00 ? 245 ARG B CA 1 ATOM 6122 C C . ARG B 1 245 ? 30.582 -3.920 -45.126 1.00 52.98 ? 245 ARG B C 1 ATOM 6123 O O . ARG B 1 245 ? 30.547 -4.908 -45.856 1.00 53.03 ? 245 ARG B O 1 ATOM 6124 C CB . ARG B 1 245 ? 31.729 -1.775 -45.878 1.00 52.52 ? 245 ARG B CB 1 ATOM 6125 C CG . ARG B 1 245 ? 32.799 -2.593 -46.620 1.00 57.11 ? 245 ARG B CG 1 ATOM 6126 C CD . ARG B 1 245 ? 33.934 -1.747 -47.159 1.00 58.00 ? 245 ARG B CD 1 ATOM 6127 N NE . ARG B 1 245 ? 33.476 -0.873 -48.236 1.00 53.82 ? 245 ARG B NE 1 ATOM 6128 C CZ . ARG B 1 245 ? 33.453 -1.189 -49.526 1.00 66.10 ? 245 ARG B CZ 1 ATOM 6129 N NH1 . ARG B 1 245 ? 32.999 -0.324 -50.415 1.00 56.10 ? 245 ARG B NH1 1 ATOM 6130 N NH2 . ARG B 1 245 ? 33.913 -2.364 -49.941 1.00 56.71 ? 245 ARG B NH2 1 ATOM 6131 N N . ARG B 1 246 ? 30.748 -3.998 -43.797 1.00 48.99 ? 246 ARG B N 1 ATOM 6132 C CA . ARG B 1 246 ? 30.916 -5.266 -43.080 1.00 49.97 ? 246 ARG B CA 1 ATOM 6133 C C . ARG B 1 246 ? 29.696 -6.191 -43.282 1.00 52.02 ? 246 ARG B C 1 ATOM 6134 O O . ARG B 1 246 ? 29.861 -7.373 -43.581 1.00 51.72 ? 246 ARG B O 1 ATOM 6135 C CB . ARG B 1 246 ? 31.147 -5.003 -41.580 1.00 49.54 ? 246 ARG B CB 1 ATOM 6136 C CG . ARG B 1 246 ? 31.591 -6.249 -40.822 1.00 57.61 ? 246 ARG B CG 1 ATOM 6137 C CD . ARG B 1 246 ? 31.410 -6.158 -39.310 1.00 59.04 ? 246 ARG B CD 1 ATOM 6138 N NE . ARG B 1 246 ? 30.021 -5.920 -38.886 1.00 56.69 ? 246 ARG B NE 1 ATOM 6139 C CZ . ARG B 1 246 ? 29.092 -6.862 -38.734 1.00 62.75 ? 246 ARG B CZ 1 ATOM 6140 N NH1 . ARG B 1 246 ? 29.372 -8.134 -38.994 1.00 55.78 ? 246 ARG B NH1 1 ATOM 6141 N NH2 . ARG B 1 246 ? 27.888 -6.545 -38.301 1.00 50.84 ? 246 ARG B NH2 1 ATOM 6142 N N . ARG B 1 247 ? 28.483 -5.636 -43.115 1.00 47.27 ? 247 ARG B N 1 ATOM 6143 C CA . ARG B 1 247 ? 27.225 -6.368 -43.258 1.00 45.83 ? 247 ARG B CA 1 ATOM 6144 C C . ARG B 1 247 ? 26.990 -6.865 -44.681 1.00 49.94 ? 247 ARG B C 1 ATOM 6145 O O . ARG B 1 247 ? 26.584 -8.014 -44.858 1.00 51.19 ? 247 ARG B O 1 ATOM 6146 C CB . ARG B 1 247 ? 26.048 -5.515 -42.751 1.00 42.85 ? 247 ARG B CB 1 ATOM 6147 C CG . ARG B 1 247 ? 26.083 -5.278 -41.245 1.00 45.35 ? 247 ARG B CG 1 ATOM 6148 C CD . ARG B 1 247 ? 24.893 -4.455 -40.832 1.00 46.37 ? 247 ARG B CD 1 ATOM 6149 N NE . ARG B 1 247 ? 24.986 -4.032 -39.438 1.00 48.04 ? 247 ARG B NE 1 ATOM 6150 C CZ . ARG B 1 247 ? 24.016 -3.425 -38.768 1.00 51.47 ? 247 ARG B CZ 1 ATOM 6151 N NH1 . ARG B 1 247 ? 22.854 -3.164 -39.358 1.00 45.12 ? 247 ARG B NH1 1 ATOM 6152 N NH2 . ARG B 1 247 ? 24.203 -3.054 -37.511 1.00 45.36 ? 247 ARG B NH2 1 ATOM 6153 N N . ALA B 1 248 ? 27.281 -6.035 -45.698 1.00 46.28 ? 248 ALA B N 1 ATOM 6154 C CA . ALA B 1 248 ? 27.124 -6.424 -47.112 1.00 45.49 ? 248 ALA B CA 1 ATOM 6155 C C . ALA B 1 248 ? 28.109 -7.522 -47.484 1.00 53.37 ? 248 ALA B C 1 ATOM 6156 O O . ALA B 1 248 ? 27.733 -8.471 -48.174 1.00 54.16 ? 248 ALA B O 1 ATOM 6157 C CB . ALA B 1 248 ? 27.318 -5.220 -48.026 1.00 45.07 ? 248 ALA B CB 1 ATOM 6158 N N . THR B 1 249 ? 29.372 -7.392 -47.027 1.00 51.38 ? 249 THR B N 1 ATOM 6159 C CA . THR B 1 249 ? 30.450 -8.361 -47.277 1.00 53.66 ? 249 THR B CA 1 ATOM 6160 C C . THR B 1 249 ? 30.107 -9.715 -46.639 1.00 56.79 ? 249 THR B C 1 ATOM 6161 O O . THR B 1 249 ? 30.300 -10.742 -47.278 1.00 57.94 ? 249 THR B O 1 ATOM 6162 C CB . THR B 1 249 ? 31.801 -7.802 -46.791 1.00 63.45 ? 249 THR B CB 1 ATOM 6163 O OG1 . THR B 1 249 ? 32.023 -6.542 -47.414 1.00 61.34 ? 249 THR B OG1 1 ATOM 6164 C CG2 . THR B 1 249 ? 32.972 -8.725 -47.104 1.00 62.81 ? 249 THR B CG2 1 ATOM 6165 N N . LEU B 1 250 ? 29.593 -9.707 -45.393 1.00 51.34 ? 250 LEU B N 1 ATOM 6166 C CA . LEU B 1 250 ? 29.191 -10.928 -44.699 1.00 51.52 ? 250 LEU B CA 1 ATOM 6167 C C . LEU B 1 250 ? 27.998 -11.578 -45.404 1.00 55.70 ? 250 LEU B C 1 ATOM 6168 O O . LEU B 1 250 ? 27.995 -12.795 -45.603 1.00 55.69 ? 250 LEU B O 1 ATOM 6169 C CB . LEU B 1 250 ? 28.877 -10.646 -43.215 1.00 50.63 ? 250 LEU B CB 1 ATOM 6170 C CG . LEU B 1 250 ? 28.436 -11.825 -42.332 1.00 55.02 ? 250 LEU B CG 1 ATOM 6171 C CD1 . LEU B 1 250 ? 29.464 -12.973 -42.352 1.00 56.44 ? 250 LEU B CD1 1 ATOM 6172 C CD2 . LEU B 1 250 ? 28.218 -11.366 -40.898 1.00 55.27 ? 250 LEU B CD2 1 ATOM 6173 N N . LEU B 1 251 ? 26.999 -10.774 -45.796 1.00 52.91 ? 251 LEU B N 1 ATOM 6174 C CA . LEU B 1 251 ? 25.835 -11.315 -46.500 1.00 52.78 ? 251 LEU B CA 1 ATOM 6175 C C . LEU B 1 251 ? 26.266 -12.012 -47.794 1.00 59.39 ? 251 LEU B C 1 ATOM 6176 O O . LEU B 1 251 ? 25.827 -13.135 -48.045 1.00 59.77 ? 251 LEU B O 1 ATOM 6177 C CB . LEU B 1 251 ? 24.741 -10.266 -46.744 1.00 50.89 ? 251 LEU B CB 1 ATOM 6178 C CG . LEU B 1 251 ? 23.542 -10.846 -47.474 1.00 55.90 ? 251 LEU B CG 1 ATOM 6179 C CD1 . LEU B 1 251 ? 22.403 -11.098 -46.554 1.00 55.77 ? 251 LEU B CD1 1 ATOM 6180 C CD2 . LEU B 1 251 ? 23.188 -10.049 -48.670 1.00 57.93 ? 251 LEU B CD2 1 ATOM 6181 N N . ALA B 1 252 ? 27.186 -11.385 -48.570 1.00 57.32 ? 252 ALA B N 1 ATOM 6182 C CA . ALA B 1 252 ? 27.711 -11.947 -49.814 1.00 58.11 ? 252 ALA B CA 1 ATOM 6183 C C . ALA B 1 252 ? 28.462 -13.231 -49.520 1.00 63.75 ? 252 ALA B C 1 ATOM 6184 O O . ALA B 1 252 ? 28.270 -14.204 -50.237 1.00 64.01 ? 252 ALA B O 1 ATOM 6185 C CB . ALA B 1 252 ? 28.618 -10.953 -50.511 1.00 59.01 ? 252 ALA B CB 1 ATOM 6186 N N . ARG B 1 253 ? 29.258 -13.267 -48.432 1.00 60.31 ? 253 ARG B N 1 ATOM 6187 C CA . ARG B 1 253 ? 29.967 -14.485 -48.038 1.00 61.93 ? 253 ARG B CA 1 ATOM 6188 C C . ARG B 1 253 ? 28.936 -15.598 -47.757 1.00 65.00 ? 253 ARG B C 1 ATOM 6189 O O . ARG B 1 253 ? 29.092 -16.705 -48.261 1.00 66.70 ? 253 ARG B O 1 ATOM 6190 C CB . ARG B 1 253 ? 30.851 -14.217 -46.809 1.00 61.91 ? 253 ARG B CB 1 ATOM 6191 C CG . ARG B 1 253 ? 31.673 -15.404 -46.369 1.00 74.92 ? 253 ARG B CG 1 ATOM 6192 C CD . ARG B 1 253 ? 32.139 -15.255 -44.931 1.00 88.87 ? 253 ARG B CD 1 ATOM 6193 N NE . ARG B 1 253 ? 32.468 -16.557 -44.347 1.00 105.76 ? 253 ARG B NE 1 ATOM 6194 C CZ . ARG B 1 253 ? 31.833 -17.106 -43.314 1.00 122.41 ? 253 ARG B CZ 1 ATOM 6195 N NH1 . ARG B 1 253 ? 30.839 -16.459 -42.713 1.00 99.68 ? 253 ARG B NH1 1 ATOM 6196 N NH2 . ARG B 1 253 ? 32.205 -18.295 -42.856 1.00 116.45 ? 253 ARG B NH2 1 ATOM 6197 N N . LEU B 1 254 ? 27.851 -15.271 -47.022 1.00 58.86 ? 254 LEU B N 1 ATOM 6198 C CA . LEU B 1 254 ? 26.783 -16.210 -46.670 1.00 57.73 ? 254 LEU B CA 1 ATOM 6199 C C . LEU B 1 254 ? 26.033 -16.791 -47.874 1.00 61.29 ? 254 LEU B C 1 ATOM 6200 O O . LEU B 1 254 ? 25.573 -17.930 -47.797 1.00 61.44 ? 254 LEU B O 1 ATOM 6201 C CB . LEU B 1 254 ? 25.799 -15.596 -45.657 1.00 55.65 ? 254 LEU B CB 1 ATOM 6202 C CG . LEU B 1 254 ? 26.335 -15.380 -44.238 1.00 60.26 ? 254 LEU B CG 1 ATOM 6203 C CD1 . LEU B 1 254 ? 25.320 -14.687 -43.390 1.00 58.54 ? 254 LEU B CD1 1 ATOM 6204 C CD2 . LEU B 1 254 ? 26.792 -16.697 -43.594 1.00 64.01 ? 254 LEU B CD2 1 ATOM 6205 N N . VAL B 1 255 ? 25.926 -16.038 -48.982 1.00 57.44 ? 255 VAL B N 1 ATOM 6206 C CA . VAL B 1 255 ? 25.237 -16.533 -50.184 1.00 57.59 ? 255 VAL B CA 1 ATOM 6207 C C . VAL B 1 255 ? 26.234 -17.067 -51.252 1.00 63.93 ? 255 VAL B C 1 ATOM 6208 O O . VAL B 1 255 ? 25.832 -17.360 -52.382 1.00 64.61 ? 255 VAL B O 1 ATOM 6209 C CB . VAL B 1 255 ? 24.208 -15.525 -50.768 1.00 59.22 ? 255 VAL B CB 1 ATOM 6210 C CG1 . VAL B 1 255 ? 23.107 -15.236 -49.761 1.00 58.20 ? 255 VAL B CG1 1 ATOM 6211 C CG2 . VAL B 1 255 ? 24.874 -14.230 -51.228 1.00 58.07 ? 255 VAL B CG2 1 ATOM 6212 N N . GLY B 1 256 ? 27.503 -17.206 -50.875 1.00 61.87 ? 256 GLY B N 1 ATOM 6213 C CA . GLY B 1 256 ? 28.537 -17.748 -51.755 1.00 64.36 ? 256 GLY B CA 1 ATOM 6214 C C . GLY B 1 256 ? 29.166 -16.798 -52.753 1.00 70.44 ? 256 GLY B C 1 ATOM 6215 O O . GLY B 1 256 ? 29.747 -17.246 -53.740 1.00 72.25 ? 256 GLY B O 1 ATOM 6216 N N . CYS B 1 257 ? 29.114 -15.495 -52.482 1.00 67.72 ? 257 CYS B N 1 ATOM 6217 C CA . CYS B 1 257 ? 29.679 -14.436 -53.322 1.00 68.61 ? 257 CYS B CA 1 ATOM 6218 C C . CYS B 1 257 ? 30.991 -13.889 -52.736 1.00 78.93 ? 257 CYS B C 1 ATOM 6219 O O . CYS B 1 257 ? 31.040 -13.613 -51.535 1.00 78.57 ? 257 CYS B O 1 ATOM 6220 C CB . CYS B 1 257 ? 28.661 -13.317 -53.541 1.00 65.80 ? 257 CYS B CB 1 ATOM 6221 S SG . CYS B 1 257 ? 27.293 -13.775 -54.620 1.00 69.01 ? 257 CYS B SG 1 ATOM 6222 N N . PRO B 1 258 ? 32.061 -13.713 -53.556 1.00 80.70 ? 258 PRO B N 1 ATOM 6223 C CA . PRO B 1 258 ? 32.151 -13.954 -55.007 1.00 87.89 ? 258 PRO B CA 1 ATOM 6224 C C . PRO B 1 258 ? 32.843 -15.278 -55.351 1.00 123.10 ? 258 PRO B C 1 ATOM 6225 O O . PRO B 1 258 ? 32.197 -16.269 -55.690 1.00 88.23 ? 258 PRO B O 1 ATOM 6226 C CB . PRO B 1 258 ? 32.969 -12.743 -55.478 1.00 88.82 ? 258 PRO B CB 1 ATOM 6227 C CG . PRO B 1 258 ? 33.885 -12.400 -54.270 1.00 91.82 ? 258 PRO B CG 1 ATOM 6228 C CD . PRO B 1 258 ? 33.331 -13.148 -53.059 1.00 85.53 ? 258 PRO B CD 1 ATOM 6229 N N . GLY B 1 264 ? 39.186 -8.764 -53.094 1.00 93.62 ? 264 GLY B N 1 ATOM 6230 C CA . GLY B 1 264 ? 38.105 -8.813 -54.090 1.00 91.69 ? 264 GLY B CA 1 ATOM 6231 C C . GLY B 1 264 ? 37.465 -7.434 -54.295 1.00 91.01 ? 264 GLY B C 1 ATOM 6232 O O . GLY B 1 264 ? 37.123 -6.774 -53.307 1.00 90.34 ? 264 GLY B O 1 ATOM 6233 N N . ASN B 1 265 ? 37.290 -7.002 -55.568 1.00 83.36 ? 265 ASN B N 1 ATOM 6234 C CA . ASN B 1 265 ? 36.680 -5.694 -55.846 1.00 79.28 ? 265 ASN B CA 1 ATOM 6235 C C . ASN B 1 265 ? 35.158 -5.681 -55.664 1.00 74.67 ? 265 ASN B C 1 ATOM 6236 O O . ASN B 1 265 ? 34.510 -6.732 -55.693 1.00 72.24 ? 265 ASN B O 1 ATOM 6237 C CB . ASN B 1 265 ? 37.084 -5.122 -57.211 1.00 80.67 ? 265 ASN B CB 1 ATOM 6238 C CG . ASN B 1 265 ? 36.623 -5.835 -58.451 1.00 105.56 ? 265 ASN B CG 1 ATOM 6239 O OD1 . ASN B 1 265 ? 35.425 -6.030 -58.689 1.00 93.82 ? 265 ASN B OD1 1 ATOM 6240 N ND2 . ASN B 1 265 ? 37.572 -6.055 -59.364 1.00 104.05 ? 265 ASN B ND2 1 ATOM 6241 N N . ASP B 1 266 ? 34.602 -4.475 -55.444 1.00 67.33 ? 266 ASP B N 1 ATOM 6242 C CA . ASP B 1 266 ? 33.162 -4.262 -55.229 1.00 63.83 ? 266 ASP B CA 1 ATOM 6243 C C . ASP B 1 266 ? 32.322 -4.715 -56.422 1.00 65.45 ? 266 ASP B C 1 ATOM 6244 O O . ASP B 1 266 ? 31.291 -5.356 -56.221 1.00 62.77 ? 266 ASP B O 1 ATOM 6245 C CB . ASP B 1 266 ? 32.850 -2.792 -54.862 1.00 63.14 ? 266 ASP B CB 1 ATOM 6246 C CG . ASP B 1 266 ? 33.266 -2.335 -53.467 1.00 65.12 ? 266 ASP B CG 1 ATOM 6247 O OD1 . ASP B 1 266 ? 33.575 -3.206 -52.614 1.00 65.70 ? 266 ASP B OD1 1 ATOM 6248 O OD2 . ASP B 1 266 ? 33.240 -1.110 -53.212 1.00 66.60 ? 266 ASP B OD2 1 ATOM 6249 N N . THR B 1 267 ? 32.790 -4.426 -57.656 1.00 63.01 ? 267 THR B N 1 ATOM 6250 C CA . THR B 1 267 ? 32.098 -4.759 -58.911 1.00 62.14 ? 267 THR B CA 1 ATOM 6251 C C . THR B 1 267 ? 31.749 -6.257 -58.990 1.00 66.15 ? 267 THR B C 1 ATOM 6252 O O . THR B 1 267 ? 30.597 -6.591 -59.254 1.00 64.99 ? 267 THR B O 1 ATOM 6253 C CB . THR B 1 267 ? 32.910 -4.237 -60.116 1.00 70.09 ? 267 THR B CB 1 ATOM 6254 O OG1 . THR B 1 267 ? 33.072 -2.825 -59.980 1.00 68.97 ? 267 THR B OG1 1 ATOM 6255 C CG2 . THR B 1 267 ? 32.250 -4.536 -61.460 1.00 65.74 ? 267 THR B CG2 1 ATOM 6256 N N . GLU B 1 268 ? 32.724 -7.137 -58.710 1.00 64.19 ? 268 GLU B N 1 ATOM 6257 C CA . GLU B 1 268 ? 32.558 -8.593 -58.739 1.00 64.77 ? 268 GLU B CA 1 ATOM 6258 C C . GLU B 1 268 ? 31.606 -9.076 -57.660 1.00 63.26 ? 268 GLU B C 1 ATOM 6259 O O . GLU B 1 268 ? 30.753 -9.914 -57.937 1.00 61.66 ? 268 GLU B O 1 ATOM 6260 C CB . GLU B 1 268 ? 33.912 -9.319 -58.600 1.00 68.85 ? 268 GLU B CB 1 ATOM 6261 C CG . GLU B 1 268 ? 34.856 -9.142 -59.780 1.00 86.78 ? 268 GLU B CG 1 ATOM 6262 C CD . GLU B 1 268 ? 36.094 -10.023 -59.715 1.00 123.97 ? 268 GLU B CD 1 ATOM 6263 O OE1 . GLU B 1 268 ? 35.917 -11.246 -59.516 1.00 125.84 ? 268 GLU B OE1 1 ATOM 6264 O OE2 . GLU B 1 268 ? 37.228 -9.510 -59.880 1.00 122.22 ? 268 GLU B OE2 1 ATOM 6265 N N . LEU B 1 269 ? 31.751 -8.553 -56.441 1.00 58.91 ? 269 LEU B N 1 ATOM 6266 C CA . LEU B 1 269 ? 30.898 -8.908 -55.308 1.00 57.61 ? 269 LEU B CA 1 ATOM 6267 C C . LEU B 1 269 ? 29.438 -8.554 -55.614 1.00 59.19 ? 269 LEU B C 1 ATOM 6268 O O . LEU B 1 269 ? 28.569 -9.418 -55.487 1.00 58.86 ? 269 LEU B O 1 ATOM 6269 C CB . LEU B 1 269 ? 31.410 -8.220 -54.025 1.00 57.72 ? 269 LEU B CB 1 ATOM 6270 C CG . LEU B 1 269 ? 30.799 -8.652 -52.689 1.00 62.89 ? 269 LEU B CG 1 ATOM 6271 C CD1 . LEU B 1 269 ? 31.747 -8.355 -51.540 1.00 64.76 ? 269 LEU B CD1 1 ATOM 6272 C CD2 . LEU B 1 269 ? 29.527 -7.888 -52.394 1.00 63.81 ? 269 LEU B CD2 1 ATOM 6273 N N . ILE B 1 270 ? 29.187 -7.304 -56.050 1.00 54.64 ? 270 ILE B N 1 ATOM 6274 C CA . ILE B 1 270 ? 27.854 -6.807 -56.376 1.00 53.41 ? 270 ILE B CA 1 ATOM 6275 C C . ILE B 1 270 ? 27.252 -7.576 -57.562 1.00 58.02 ? 270 ILE B C 1 ATOM 6276 O O . ILE B 1 270 ? 26.077 -7.955 -57.496 1.00 56.04 ? 270 ILE B O 1 ATOM 6277 C CB . ILE B 1 270 ? 27.823 -5.258 -56.561 1.00 55.75 ? 270 ILE B CB 1 ATOM 6278 C CG1 . ILE B 1 270 ? 28.330 -4.543 -55.286 1.00 55.52 ? 270 ILE B CG1 1 ATOM 6279 C CG2 . ILE B 1 270 ? 26.410 -4.786 -56.872 1.00 54.01 ? 270 ILE B CG2 1 ATOM 6280 C CD1 . ILE B 1 270 ? 28.988 -3.127 -55.519 1.00 59.65 ? 270 ILE B CD1 1 ATOM 6281 N N . ALA B 1 271 ? 28.062 -7.851 -58.615 1.00 56.13 ? 271 ALA B N 1 ATOM 6282 C CA . ALA B 1 271 ? 27.606 -8.614 -59.777 1.00 56.06 ? 271 ALA B CA 1 ATOM 6283 C C . ALA B 1 271 ? 27.140 -10.002 -59.356 1.00 61.11 ? 271 ALA B C 1 ATOM 6284 O O . ALA B 1 271 ? 26.089 -10.445 -59.820 1.00 60.74 ? 271 ALA B O 1 ATOM 6285 C CB . ALA B 1 271 ? 28.701 -8.714 -60.827 1.00 58.36 ? 271 ALA B CB 1 ATOM 6286 N N . CYS B 1 272 ? 27.885 -10.670 -58.447 1.00 58.79 ? 272 CYS B N 1 ATOM 6287 C CA . CYS B 1 272 ? 27.494 -11.982 -57.936 1.00 60.34 ? 272 CYS B CA 1 ATOM 6288 C C . CYS B 1 272 ? 26.196 -11.874 -57.105 1.00 60.02 ? 272 CYS B C 1 ATOM 6289 O O . CYS B 1 272 ? 25.294 -12.690 -57.288 1.00 60.33 ? 272 CYS B O 1 ATOM 6290 C CB . CYS B 1 272 ? 28.630 -12.645 -57.159 1.00 64.08 ? 272 CYS B CB 1 ATOM 6291 S SG . CYS B 1 272 ? 28.196 -14.249 -56.426 1.00 69.98 ? 272 CYS B SG 1 ATOM 6292 N N . LEU B 1 273 ? 26.071 -10.841 -56.245 1.00 52.70 ? 273 LEU B N 1 ATOM 6293 C CA . LEU B 1 273 ? 24.844 -10.618 -55.457 1.00 49.50 ? 273 LEU B CA 1 ATOM 6294 C C . LEU B 1 273 ? 23.620 -10.421 -56.363 1.00 52.10 ? 273 LEU B C 1 ATOM 6295 O O . LEU B 1 273 ? 22.529 -10.882 -56.019 1.00 50.54 ? 273 LEU B O 1 ATOM 6296 C CB . LEU B 1 273 ? 24.975 -9.424 -54.506 1.00 47.63 ? 273 LEU B CB 1 ATOM 6297 C CG . LEU B 1 273 ? 25.730 -9.623 -53.186 1.00 51.85 ? 273 LEU B CG 1 ATOM 6298 C CD1 . LEU B 1 273 ? 25.884 -8.305 -52.479 1.00 50.77 ? 273 LEU B CD1 1 ATOM 6299 C CD2 . LEU B 1 273 ? 25.019 -10.625 -52.269 1.00 50.59 ? 273 LEU B CD2 1 ATOM 6300 N N . ARG B 1 274 ? 23.818 -9.786 -57.543 1.00 49.00 ? 274 ARG B N 1 ATOM 6301 C CA . ARG B 1 274 ? 22.751 -9.553 -58.529 1.00 47.84 ? 274 ARG B CA 1 ATOM 6302 C C . ARG B 1 274 ? 22.240 -10.832 -59.193 1.00 51.35 ? 274 ARG B C 1 ATOM 6303 O O . ARG B 1 274 ? 21.112 -10.836 -59.684 1.00 49.45 ? 274 ARG B O 1 ATOM 6304 C CB . ARG B 1 274 ? 23.161 -8.511 -59.585 1.00 45.16 ? 274 ARG B CB 1 ATOM 6305 C CG . ARG B 1 274 ? 23.163 -7.076 -59.013 1.00 43.16 ? 274 ARG B CG 1 ATOM 6306 C CD . ARG B 1 274 ? 23.188 -6.009 -60.094 1.00 44.43 ? 274 ARG B CD 1 ATOM 6307 N NE . ARG B 1 274 ? 24.205 -6.309 -61.106 1.00 50.79 ? 274 ARG B NE 1 ATOM 6308 C CZ . ARG B 1 274 ? 25.380 -5.702 -61.174 1.00 64.17 ? 274 ARG B CZ 1 ATOM 6309 N NH1 . ARG B 1 274 ? 25.675 -4.717 -60.335 1.00 52.54 ? 274 ARG B NH1 1 ATOM 6310 N NH2 . ARG B 1 274 ? 26.262 -6.057 -62.099 1.00 51.42 ? 274 ARG B NH2 1 ATOM 6311 N N . THR B 1 275 ? 23.036 -11.915 -59.192 1.00 49.39 ? 275 THR B N 1 ATOM 6312 C CA . THR B 1 275 ? 22.630 -13.197 -59.794 1.00 50.38 ? 275 THR B CA 1 ATOM 6313 C C . THR B 1 275 ? 21.777 -14.024 -58.831 1.00 55.23 ? 275 THR B C 1 ATOM 6314 O O . THR B 1 275 ? 21.183 -15.029 -59.234 1.00 55.44 ? 275 THR B O 1 ATOM 6315 C CB . THR B 1 275 ? 23.857 -14.042 -60.215 1.00 57.87 ? 275 THR B CB 1 ATOM 6316 O OG1 . THR B 1 275 ? 24.537 -14.503 -59.044 1.00 58.75 ? 275 THR B OG1 1 ATOM 6317 C CG2 . THR B 1 275 ? 24.800 -13.306 -61.152 1.00 53.83 ? 275 THR B CG2 1 ATOM 6318 N N . ARG B 1 276 ? 21.764 -13.643 -57.556 1.00 52.23 ? 276 ARG B N 1 ATOM 6319 C CA . ARG B 1 276 ? 21.053 -14.392 -56.540 1.00 52.49 ? 276 ARG B CA 1 ATOM 6320 C C . ARG B 1 276 ? 19.533 -14.210 -56.565 1.00 56.18 ? 276 ARG B C 1 ATOM 6321 O O . ARG B 1 276 ? 19.060 -13.068 -56.607 1.00 53.95 ? 276 ARG B O 1 ATOM 6322 C CB . ARG B 1 276 ? 21.614 -14.057 -55.126 1.00 52.55 ? 276 ARG B CB 1 ATOM 6323 C CG . ARG B 1 276 ? 23.041 -14.572 -54.873 1.00 56.91 ? 276 ARG B CG 1 ATOM 6324 C CD . ARG B 1 276 ? 23.153 -16.065 -55.139 1.00 58.70 ? 276 ARG B CD 1 ATOM 6325 N NE . ARG B 1 276 ? 24.477 -16.570 -54.799 1.00 66.56 ? 276 ARG B NE 1 ATOM 6326 C CZ . ARG B 1 276 ? 25.435 -16.804 -55.682 1.00 82.65 ? 276 ARG B CZ 1 ATOM 6327 N NH1 . ARG B 1 276 ? 25.217 -16.599 -56.980 1.00 79.82 ? 276 ARG B NH1 1 ATOM 6328 N NH2 . ARG B 1 276 ? 26.615 -17.257 -55.282 1.00 67.07 ? 276 ARG B NH2 1 ATOM 6329 N N . PRO B 1 277 ? 18.747 -15.309 -56.410 1.00 53.60 ? 277 PRO B N 1 ATOM 6330 C CA . PRO B 1 277 ? 17.282 -15.153 -56.258 1.00 51.95 ? 277 PRO B CA 1 ATOM 6331 C C . PRO B 1 277 ? 16.976 -14.258 -55.044 1.00 51.72 ? 277 PRO B C 1 ATOM 6332 O O . PRO B 1 277 ? 17.732 -14.274 -54.075 1.00 50.54 ? 277 PRO B O 1 ATOM 6333 C CB . PRO B 1 277 ? 16.803 -16.589 -56.007 1.00 54.71 ? 277 PRO B CB 1 ATOM 6334 C CG . PRO B 1 277 ? 17.876 -17.451 -56.673 1.00 59.94 ? 277 PRO B CG 1 ATOM 6335 C CD . PRO B 1 277 ? 19.141 -16.732 -56.314 1.00 56.33 ? 277 PRO B CD 1 ATOM 6336 N N . ALA B 1 278 ? 15.905 -13.451 -55.113 1.00 46.18 ? 278 ALA B N 1 ATOM 6337 C CA . ALA B 1 278 ? 15.534 -12.525 -54.036 1.00 45.11 ? 278 ALA B CA 1 ATOM 6338 C C . ALA B 1 278 ? 15.390 -13.201 -52.661 1.00 50.35 ? 278 ALA B C 1 ATOM 6339 O O . ALA B 1 278 ? 15.859 -12.644 -51.655 1.00 50.24 ? 278 ALA B O 1 ATOM 6340 C CB . ALA B 1 278 ? 14.262 -11.768 -54.401 1.00 44.45 ? 278 ALA B CB 1 ATOM 6341 N N . GLN B 1 279 ? 14.779 -14.410 -52.621 1.00 46.50 ? 279 GLN B N 1 ATOM 6342 C CA . GLN B 1 279 ? 14.592 -15.140 -51.366 1.00 47.03 ? 279 GLN B CA 1 ATOM 6343 C C . GLN B 1 279 ? 15.925 -15.598 -50.730 1.00 53.00 ? 279 GLN B C 1 ATOM 6344 O O . GLN B 1 279 ? 15.976 -15.726 -49.512 1.00 51.75 ? 279 GLN B O 1 ATOM 6345 C CB . GLN B 1 279 ? 13.599 -16.313 -51.506 1.00 48.35 ? 279 GLN B CB 1 ATOM 6346 C CG . GLN B 1 279 ? 13.091 -16.895 -50.169 1.00 51.39 ? 279 GLN B CG 1 ATOM 6347 C CD . GLN B 1 279 ? 12.509 -15.870 -49.213 1.00 60.43 ? 279 GLN B CD 1 ATOM 6348 O OE1 . GLN B 1 279 ? 11.654 -15.059 -49.550 1.00 53.50 ? 279 GLN B OE1 1 ATOM 6349 N NE2 . GLN B 1 279 ? 12.931 -15.916 -47.973 1.00 53.75 ? 279 GLN B NE2 1 ATOM 6350 N N . ASP B 1 280 ? 16.995 -15.837 -51.541 1.00 51.59 ? 280 ASP B N 1 ATOM 6351 C CA . ASP B 1 280 ? 18.305 -16.213 -50.988 1.00 51.78 ? 280 ASP B CA 1 ATOM 6352 C C . ASP B 1 280 ? 18.890 -15.076 -50.130 1.00 53.78 ? 280 ASP B C 1 ATOM 6353 O O . ASP B 1 280 ? 19.489 -15.343 -49.088 1.00 54.25 ? 280 ASP B O 1 ATOM 6354 C CB . ASP B 1 280 ? 19.294 -16.590 -52.093 1.00 53.88 ? 280 ASP B CB 1 ATOM 6355 C CG . ASP B 1 280 ? 19.076 -17.935 -52.772 1.00 68.00 ? 280 ASP B CG 1 ATOM 6356 O OD1 . ASP B 1 280 ? 17.990 -18.526 -52.593 1.00 69.16 ? 280 ASP B OD1 1 ATOM 6357 O OD2 . ASP B 1 280 ? 19.976 -18.372 -53.519 1.00 75.08 ? 280 ASP B OD2 1 ATOM 6358 N N . LEU B 1 281 ? 18.689 -13.813 -50.557 1.00 48.49 ? 281 LEU B N 1 ATOM 6359 C CA . LEU B 1 281 ? 19.160 -12.624 -49.821 1.00 46.12 ? 281 LEU B CA 1 ATOM 6360 C C . LEU B 1 281 ? 18.371 -12.457 -48.538 1.00 50.21 ? 281 LEU B C 1 ATOM 6361 O O . LEU B 1 281 ? 18.959 -12.231 -47.475 1.00 49.37 ? 281 LEU B O 1 ATOM 6362 C CB . LEU B 1 281 ? 19.090 -11.343 -50.691 1.00 44.74 ? 281 LEU B CB 1 ATOM 6363 C CG . LEU B 1 281 ? 19.831 -11.364 -52.044 1.00 49.48 ? 281 LEU B CG 1 ATOM 6364 C CD1 . LEU B 1 281 ? 19.831 -9.990 -52.675 1.00 48.21 ? 281 LEU B CD1 1 ATOM 6365 C CD2 . LEU B 1 281 ? 21.278 -11.851 -51.894 1.00 52.13 ? 281 LEU B CD2 1 ATOM 6366 N N . VAL B 1 282 ? 17.043 -12.621 -48.616 1.00 45.81 ? 282 VAL B N 1 ATOM 6367 C CA . VAL B 1 282 ? 16.164 -12.524 -47.457 1.00 44.27 ? 282 VAL B CA 1 ATOM 6368 C C . VAL B 1 282 ? 16.508 -13.623 -46.420 1.00 51.61 ? 282 VAL B C 1 ATOM 6369 O O . VAL B 1 282 ? 16.549 -13.325 -45.235 1.00 52.56 ? 282 VAL B O 1 ATOM 6370 C CB . VAL B 1 282 ? 14.677 -12.551 -47.880 1.00 46.13 ? 282 VAL B CB 1 ATOM 6371 C CG1 . VAL B 1 282 ? 13.760 -12.562 -46.664 1.00 45.87 ? 282 VAL B CG1 1 ATOM 6372 C CG2 . VAL B 1 282 ? 14.351 -11.373 -48.787 1.00 44.30 ? 282 VAL B CG2 1 ATOM 6373 N N . ASP B 1 283 ? 16.821 -14.859 -46.876 1.00 50.79 ? 283 ASP B N 1 ATOM 6374 C CA . ASP B 1 283 ? 17.160 -15.991 -46.004 1.00 51.93 ? 283 ASP B CA 1 ATOM 6375 C C . ASP B 1 283 ? 18.387 -15.749 -45.102 1.00 55.85 ? 283 ASP B C 1 ATOM 6376 O O . ASP B 1 283 ? 18.463 -16.372 -44.047 1.00 56.04 ? 283 ASP B O 1 ATOM 6377 C CB . ASP B 1 283 ? 17.312 -17.294 -46.812 1.00 55.39 ? 283 ASP B CB 1 ATOM 6378 C CG . ASP B 1 283 ? 16.009 -17.936 -47.298 1.00 66.56 ? 283 ASP B CG 1 ATOM 6379 O OD1 . ASP B 1 283 ? 14.921 -17.521 -46.833 1.00 68.42 ? 283 ASP B OD1 1 ATOM 6380 O OD2 . ASP B 1 283 ? 16.082 -18.866 -48.110 1.00 74.15 ? 283 ASP B OD2 1 ATOM 6381 N N . HIS B 1 284 ? 19.308 -14.839 -45.471 1.00 52.53 ? 284 HIS B N 1 ATOM 6382 C CA . HIS B 1 284 ? 20.497 -14.544 -44.657 1.00 53.75 ? 284 HIS B CA 1 ATOM 6383 C C . HIS B 1 284 ? 20.562 -13.111 -44.126 1.00 55.93 ? 284 HIS B C 1 ATOM 6384 O O . HIS B 1 284 ? 21.516 -12.786 -43.414 1.00 55.17 ? 284 HIS B O 1 ATOM 6385 C CB . HIS B 1 284 ? 21.785 -14.836 -45.447 1.00 56.15 ? 284 HIS B CB 1 ATOM 6386 C CG . HIS B 1 284 ? 22.026 -16.285 -45.699 1.00 62.00 ? 284 HIS B CG 1 ATOM 6387 N ND1 . HIS B 1 284 ? 22.548 -17.112 -44.714 1.00 65.51 ? 284 HIS B ND1 1 ATOM 6388 C CD2 . HIS B 1 284 ? 21.827 -17.010 -46.822 1.00 64.32 ? 284 HIS B CD2 1 ATOM 6389 C CE1 . HIS B 1 284 ? 22.627 -18.312 -45.262 1.00 66.20 ? 284 HIS B CE1 1 ATOM 6390 N NE2 . HIS B 1 284 ? 22.215 -18.298 -46.532 1.00 66.11 ? 284 HIS B NE2 1 ATOM 6391 N N . GLU B 1 285 ? 19.587 -12.245 -44.467 1.00 52.10 ? 285 GLU B N 1 ATOM 6392 C CA . GLU B 1 285 ? 19.642 -10.846 -44.032 1.00 51.49 ? 285 GLU B CA 1 ATOM 6393 C C . GLU B 1 285 ? 19.697 -10.671 -42.506 1.00 55.80 ? 285 GLU B C 1 ATOM 6394 O O . GLU B 1 285 ? 20.383 -9.768 -42.046 1.00 53.26 ? 285 GLU B O 1 ATOM 6395 C CB . GLU B 1 285 ? 18.541 -9.964 -44.658 1.00 51.52 ? 285 GLU B CB 1 ATOM 6396 C CG . GLU B 1 285 ? 17.131 -10.194 -44.152 1.00 62.71 ? 285 GLU B CG 1 ATOM 6397 C CD . GLU B 1 285 ? 16.089 -9.194 -44.617 1.00 78.72 ? 285 GLU B CD 1 ATOM 6398 O OE1 . GLU B 1 285 ? 14.887 -9.496 -44.455 1.00 70.91 ? 285 GLU B OE1 1 ATOM 6399 O OE2 . GLU B 1 285 ? 16.463 -8.091 -45.077 1.00 68.71 ? 285 GLU B OE2 1 ATOM 6400 N N . TRP B 1 286 ? 19.028 -11.541 -41.733 1.00 55.88 ? 286 TRP B N 1 ATOM 6401 C CA . TRP B 1 286 ? 19.017 -11.436 -40.277 1.00 57.40 ? 286 TRP B CA 1 ATOM 6402 C C . TRP B 1 286 ? 20.261 -12.009 -39.604 1.00 61.69 ? 286 TRP B C 1 ATOM 6403 O O . TRP B 1 286 ? 20.393 -11.881 -38.391 1.00 63.61 ? 286 TRP B O 1 ATOM 6404 C CB . TRP B 1 286 ? 17.748 -12.057 -39.711 1.00 58.50 ? 286 TRP B CB 1 ATOM 6405 C CG . TRP B 1 286 ? 16.517 -11.239 -39.972 1.00 60.48 ? 286 TRP B CG 1 ATOM 6406 C CD1 . TRP B 1 286 ? 15.621 -11.396 -40.996 1.00 63.37 ? 286 TRP B CD1 1 ATOM 6407 C CD2 . TRP B 1 286 ? 16.048 -10.124 -39.193 1.00 60.33 ? 286 TRP B CD2 1 ATOM 6408 N NE1 . TRP B 1 286 ? 14.626 -10.446 -40.905 1.00 62.58 ? 286 TRP B NE1 1 ATOM 6409 C CE2 . TRP B 1 286 ? 14.857 -9.659 -39.801 1.00 64.14 ? 286 TRP B CE2 1 ATOM 6410 C CE3 . TRP B 1 286 ? 16.526 -9.464 -38.040 1.00 61.74 ? 286 TRP B CE3 1 ATOM 6411 C CZ2 . TRP B 1 286 ? 14.110 -8.596 -39.267 1.00 62.85 ? 286 TRP B CZ2 1 ATOM 6412 C CZ3 . TRP B 1 286 ? 15.803 -8.392 -37.531 1.00 62.70 ? 286 TRP B CZ3 1 ATOM 6413 C CH2 . TRP B 1 286 ? 14.601 -7.980 -38.128 1.00 62.64 ? 286 TRP B CH2 1 ATOM 6414 N N . HIS B 1 287 ? 21.186 -12.599 -40.380 1.00 56.85 ? 287 HIS B N 1 ATOM 6415 C CA . HIS B 1 287 ? 22.407 -13.211 -39.864 1.00 57.79 ? 287 HIS B CA 1 ATOM 6416 C C . HIS B 1 287 ? 23.626 -12.290 -39.856 1.00 58.75 ? 287 HIS B C 1 ATOM 6417 O O . HIS B 1 287 ? 24.720 -12.759 -39.552 1.00 59.27 ? 287 HIS B O 1 ATOM 6418 C CB . HIS B 1 287 ? 22.752 -14.485 -40.673 1.00 60.17 ? 287 HIS B CB 1 ATOM 6419 C CG . HIS B 1 287 ? 21.721 -15.575 -40.638 1.00 64.48 ? 287 HIS B CG 1 ATOM 6420 N ND1 . HIS B 1 287 ? 21.575 -16.438 -41.707 1.00 67.49 ? 287 HIS B ND1 1 ATOM 6421 C CD2 . HIS B 1 287 ? 20.838 -15.932 -39.668 1.00 66.48 ? 287 HIS B CD2 1 ATOM 6422 C CE1 . HIS B 1 287 ? 20.598 -17.266 -41.373 1.00 67.54 ? 287 HIS B CE1 1 ATOM 6423 N NE2 . HIS B 1 287 ? 20.129 -17.007 -40.149 1.00 67.46 ? 287 HIS B NE2 1 ATOM 6424 N N . VAL B 1 288 ? 23.466 -11.006 -40.215 1.00 52.44 ? 288 VAL B N 1 ATOM 6425 C CA . VAL B 1 288 ? 24.621 -10.102 -40.308 1.00 50.87 ? 288 VAL B CA 1 ATOM 6426 C C . VAL B 1 288 ? 24.721 -9.101 -39.143 1.00 51.99 ? 288 VAL B C 1 ATOM 6427 O O . VAL B 1 288 ? 25.702 -8.355 -39.087 1.00 51.16 ? 288 VAL B O 1 ATOM 6428 C CB . VAL B 1 288 ? 24.731 -9.388 -41.688 1.00 52.68 ? 288 VAL B CB 1 ATOM 6429 C CG1 . VAL B 1 288 ? 24.865 -10.399 -42.824 1.00 53.13 ? 288 VAL B CG1 1 ATOM 6430 C CG2 . VAL B 1 288 ? 23.559 -8.449 -41.926 1.00 50.48 ? 288 VAL B CG2 1 ATOM 6431 N N . LEU B 1 289 ? 23.740 -9.089 -38.228 1.00 48.45 ? 289 LEU B N 1 ATOM 6432 C CA . LEU B 1 289 ? 23.745 -8.203 -37.060 1.00 47.90 ? 289 LEU B CA 1 ATOM 6433 C C . LEU B 1 289 ? 24.946 -8.517 -36.152 1.00 56.31 ? 289 LEU B C 1 ATOM 6434 O O . LEU B 1 289 ? 25.275 -9.700 -35.970 1.00 58.03 ? 289 LEU B O 1 ATOM 6435 C CB . LEU B 1 289 ? 22.411 -8.259 -36.283 1.00 46.95 ? 289 LEU B CB 1 ATOM 6436 C CG . LEU B 1 289 ? 21.214 -7.566 -36.962 1.00 49.39 ? 289 LEU B CG 1 ATOM 6437 C CD1 . LEU B 1 289 ? 19.920 -7.854 -36.207 1.00 49.21 ? 289 LEU B CD1 1 ATOM 6438 C CD2 . LEU B 1 289 ? 21.449 -6.055 -37.094 1.00 47.67 ? 289 LEU B CD2 1 ATOM 6439 N N . PRO B 1 290 ? 25.660 -7.478 -35.645 1.00 52.77 ? 290 PRO B N 1 ATOM 6440 C CA . PRO B 1 290 ? 26.884 -7.738 -34.859 1.00 53.67 ? 290 PRO B CA 1 ATOM 6441 C C . PRO B 1 290 ? 26.685 -8.416 -33.501 1.00 59.08 ? 290 PRO B C 1 ATOM 6442 O O . PRO B 1 290 ? 27.612 -9.054 -33.002 1.00 60.24 ? 290 PRO B O 1 ATOM 6443 C CB . PRO B 1 290 ? 27.519 -6.353 -34.727 1.00 54.53 ? 290 PRO B CB 1 ATOM 6444 C CG . PRO B 1 290 ? 26.382 -5.405 -34.850 1.00 57.06 ? 290 PRO B CG 1 ATOM 6445 C CD . PRO B 1 290 ? 25.437 -6.030 -35.828 1.00 52.62 ? 290 PRO B CD 1 ATOM 6446 N N . GLN B 1 291 ? 25.505 -8.262 -32.886 1.00 55.56 ? 291 GLN B N 1 ATOM 6447 C CA . GLN B 1 291 ? 25.198 -8.880 -31.584 1.00 56.11 ? 291 GLN B CA 1 ATOM 6448 C C . GLN B 1 291 ? 23.759 -9.343 -31.611 1.00 58.71 ? 291 GLN B C 1 ATOM 6449 O O . GLN B 1 291 ? 22.971 -8.875 -32.445 1.00 55.30 ? 291 GLN B O 1 ATOM 6450 C CB . GLN B 1 291 ? 25.316 -7.868 -30.388 1.00 56.75 ? 291 GLN B CB 1 ATOM 6451 C CG . GLN B 1 291 ? 26.581 -7.021 -30.297 1.00 60.29 ? 291 GLN B CG 1 ATOM 6452 C CD . GLN B 1 291 ? 26.460 -5.750 -31.086 1.00 71.20 ? 291 GLN B CD 1 ATOM 6453 O OE1 . GLN B 1 291 ? 25.357 -5.319 -31.453 1.00 67.70 ? 291 GLN B OE1 1 ATOM 6454 N NE2 . GLN B 1 291 ? 27.597 -5.125 -31.376 1.00 59.95 ? 291 GLN B NE2 1 ATOM 6455 N N . GLU B 1 292 ? 23.400 -10.196 -30.629 1.00 57.12 ? 292 GLU B N 1 ATOM 6456 C CA . GLU B 1 292 ? 22.034 -10.632 -30.362 1.00 56.55 ? 292 GLU B CA 1 ATOM 6457 C C . GLU B 1 292 ? 21.327 -9.338 -29.924 1.00 55.75 ? 292 GLU B C 1 ATOM 6458 O O . GLU B 1 292 ? 21.843 -8.606 -29.071 1.00 54.90 ? 292 GLU B O 1 ATOM 6459 C CB . GLU B 1 292 ? 22.025 -11.652 -29.210 1.00 60.23 ? 292 GLU B CB 1 ATOM 6460 C CG . GLU B 1 292 ? 20.636 -12.201 -28.919 1.00 72.19 ? 292 GLU B CG 1 ATOM 6461 C CD . GLU B 1 292 ? 20.498 -13.110 -27.715 1.00 91.61 ? 292 GLU B CD 1 ATOM 6462 O OE1 . GLU B 1 292 ? 21.518 -13.386 -27.039 1.00 83.34 ? 292 GLU B OE1 1 ATOM 6463 O OE2 . GLU B 1 292 ? 19.355 -13.547 -27.449 1.00 88.52 ? 292 GLU B OE2 1 ATOM 6464 N N . SER B 1 293 ? 20.218 -8.998 -30.571 1.00 49.66 ? 293 SER B N 1 ATOM 6465 C CA . SER B 1 293 ? 19.591 -7.714 -30.271 1.00 47.44 ? 293 SER B CA 1 ATOM 6466 C C . SER B 1 293 ? 18.142 -7.646 -30.652 1.00 51.92 ? 293 SER B C 1 ATOM 6467 O O . SER B 1 293 ? 17.643 -8.503 -31.370 1.00 51.87 ? 293 SER B O 1 ATOM 6468 C CB . SER B 1 293 ? 20.343 -6.600 -31.006 1.00 46.72 ? 293 SER B CB 1 ATOM 6469 O OG . SER B 1 293 ? 20.477 -6.852 -32.396 1.00 49.14 ? 293 SER B OG 1 ATOM 6470 N N . ILE B 1 294 ? 17.467 -6.586 -30.201 1.00 47.74 ? 294 ILE B N 1 ATOM 6471 C CA . ILE B 1 294 ? 16.095 -6.278 -30.619 1.00 45.85 ? 294 ILE B CA 1 ATOM 6472 C C . ILE B 1 294 ? 16.124 -4.813 -31.031 1.00 45.68 ? 294 ILE B C 1 ATOM 6473 O O . ILE B 1 294 ? 17.015 -4.075 -30.587 1.00 43.70 ? 294 ILE B O 1 ATOM 6474 C CB . ILE B 1 294 ? 15.016 -6.607 -29.547 1.00 48.71 ? 294 ILE B CB 1 ATOM 6475 C CG1 . ILE B 1 294 ? 15.275 -5.846 -28.214 1.00 48.40 ? 294 ILE B CG1 1 ATOM 6476 C CG2 . ILE B 1 294 ? 14.878 -8.125 -29.353 1.00 48.91 ? 294 ILE B CG2 1 ATOM 6477 C CD1 . ILE B 1 294 ? 14.112 -5.891 -27.211 1.00 52.11 ? 294 ILE B CD1 1 ATOM 6478 N N . PHE B 1 295 ? 15.177 -4.395 -31.884 1.00 41.80 ? 295 PHE B N 1 ATOM 6479 C CA . PHE B 1 295 ? 15.099 -3.024 -32.419 1.00 38.82 ? 295 PHE B CA 1 ATOM 6480 C C . PHE B 1 295 ? 16.396 -2.654 -33.173 1.00 43.17 ? 295 PHE B C 1 ATOM 6481 O O . PHE B 1 295 ? 16.893 -1.531 -33.067 1.00 43.78 ? 295 PHE B O 1 ATOM 6482 C CB . PHE B 1 295 ? 14.748 -1.996 -31.308 1.00 38.55 ? 295 PHE B CB 1 ATOM 6483 C CG . PHE B 1 295 ? 13.740 -0.934 -31.727 1.00 37.70 ? 295 PHE B CG 1 ATOM 6484 C CD1 . PHE B 1 295 ? 13.886 -0.242 -32.927 1.00 39.07 ? 295 PHE B CD1 1 ATOM 6485 C CD2 . PHE B 1 295 ? 12.666 -0.606 -30.906 1.00 37.28 ? 295 PHE B CD2 1 ATOM 6486 C CE1 . PHE B 1 295 ? 12.963 0.734 -33.308 1.00 38.31 ? 295 PHE B CE1 1 ATOM 6487 C CE2 . PHE B 1 295 ? 11.776 0.407 -31.266 1.00 37.99 ? 295 PHE B CE2 1 ATOM 6488 C CZ . PHE B 1 295 ? 11.920 1.054 -32.471 1.00 35.96 ? 295 PHE B CZ 1 ATOM 6489 N N . ARG B 1 296 ? 16.969 -3.634 -33.878 1.00 40.43 ? 296 ARG B N 1 ATOM 6490 C CA . ARG B 1 296 ? 18.167 -3.494 -34.719 1.00 40.08 ? 296 ARG B CA 1 ATOM 6491 C C . ARG B 1 296 ? 17.887 -4.211 -36.016 1.00 44.74 ? 296 ARG B C 1 ATOM 6492 O O . ARG B 1 296 ? 17.444 -5.362 -36.009 1.00 44.59 ? 296 ARG B O 1 ATOM 6493 C CB . ARG B 1 296 ? 19.447 -4.033 -34.057 1.00 39.55 ? 296 ARG B CB 1 ATOM 6494 C CG . ARG B 1 296 ? 19.897 -3.259 -32.800 1.00 40.72 ? 296 ARG B CG 1 ATOM 6495 C CD . ARG B 1 296 ? 20.281 -1.800 -33.053 1.00 40.81 ? 296 ARG B CD 1 ATOM 6496 N NE . ARG B 1 296 ? 20.748 -1.167 -31.820 1.00 49.82 ? 296 ARG B NE 1 ATOM 6497 C CZ . ARG B 1 296 ? 19.968 -0.519 -30.961 1.00 51.95 ? 296 ARG B CZ 1 ATOM 6498 N NH1 . ARG B 1 296 ? 18.677 -0.376 -31.207 1.00 38.98 ? 296 ARG B NH1 1 ATOM 6499 N NH2 . ARG B 1 296 ? 20.477 -0.005 -29.854 1.00 39.47 ? 296 ARG B NH2 1 ATOM 6500 N N . PHE B 1 297 ? 18.098 -3.503 -37.132 1.00 40.31 ? 297 PHE B N 1 ATOM 6501 C CA . PHE B 1 297 ? 17.786 -3.978 -38.478 1.00 38.39 ? 297 PHE B CA 1 ATOM 6502 C C . PHE B 1 297 ? 19.047 -3.971 -39.322 1.00 43.08 ? 297 PHE B C 1 ATOM 6503 O O . PHE B 1 297 ? 19.869 -3.055 -39.230 1.00 40.86 ? 297 PHE B O 1 ATOM 6504 C CB . PHE B 1 297 ? 16.633 -3.151 -39.067 1.00 37.53 ? 297 PHE B CB 1 ATOM 6505 C CG . PHE B 1 297 ? 15.582 -2.812 -38.016 1.00 36.74 ? 297 PHE B CG 1 ATOM 6506 C CD1 . PHE B 1 297 ? 14.722 -3.794 -37.519 1.00 38.77 ? 297 PHE B CD1 1 ATOM 6507 C CD2 . PHE B 1 297 ? 15.494 -1.532 -37.482 1.00 35.78 ? 297 PHE B CD2 1 ATOM 6508 C CE1 . PHE B 1 297 ? 13.783 -3.490 -36.524 1.00 38.90 ? 297 PHE B CE1 1 ATOM 6509 C CE2 . PHE B 1 297 ? 14.561 -1.234 -36.469 1.00 36.98 ? 297 PHE B CE2 1 ATOM 6510 C CZ . PHE B 1 297 ? 13.706 -2.215 -36.013 1.00 36.09 ? 297 PHE B CZ 1 ATOM 6511 N N . SER B 1 298 ? 19.233 -5.049 -40.077 1.00 40.58 ? 298 SER B N 1 ATOM 6512 C CA . SER B 1 298 ? 20.443 -5.310 -40.849 1.00 41.13 ? 298 SER B CA 1 ATOM 6513 C C . SER B 1 298 ? 20.794 -4.287 -41.924 1.00 43.33 ? 298 SER B C 1 ATOM 6514 O O . SER B 1 298 ? 21.946 -3.861 -42.003 1.00 44.15 ? 298 SER B O 1 ATOM 6515 C CB . SER B 1 298 ? 20.361 -6.698 -41.464 1.00 44.56 ? 298 SER B CB 1 ATOM 6516 O OG . SER B 1 298 ? 20.439 -7.677 -40.442 1.00 47.06 ? 298 SER B OG 1 ATOM 6517 N N . PHE B 1 299 ? 19.818 -3.914 -42.754 1.00 37.76 ? 299 PHE B N 1 ATOM 6518 C CA . PHE B 1 299 ? 20.047 -3.029 -43.896 1.00 35.60 ? 299 PHE B CA 1 ATOM 6519 C C . PHE B 1 299 ? 19.201 -1.791 -43.768 1.00 38.13 ? 299 PHE B C 1 ATOM 6520 O O . PHE B 1 299 ? 17.987 -1.821 -43.943 1.00 36.57 ? 299 PHE B O 1 ATOM 6521 C CB . PHE B 1 299 ? 19.873 -3.792 -45.216 1.00 35.97 ? 299 PHE B CB 1 ATOM 6522 C CG . PHE B 1 299 ? 20.893 -4.904 -45.328 1.00 37.75 ? 299 PHE B CG 1 ATOM 6523 C CD1 . PHE B 1 299 ? 22.174 -4.650 -45.803 1.00 40.13 ? 299 PHE B CD1 1 ATOM 6524 C CD2 . PHE B 1 299 ? 20.598 -6.193 -44.891 1.00 40.86 ? 299 PHE B CD2 1 ATOM 6525 C CE1 . PHE B 1 299 ? 23.137 -5.665 -45.856 1.00 42.57 ? 299 PHE B CE1 1 ATOM 6526 C CE2 . PHE B 1 299 ? 21.575 -7.212 -44.929 1.00 44.29 ? 299 PHE B CE2 1 ATOM 6527 C CZ . PHE B 1 299 ? 22.826 -6.942 -45.434 1.00 42.50 ? 299 PHE B CZ 1 ATOM 6528 N N . VAL B 1 300 ? 19.848 -0.717 -43.350 1.00 34.52 ? 300 VAL B N 1 ATOM 6529 C CA . VAL B 1 300 ? 19.206 0.559 -43.055 1.00 33.41 ? 300 VAL B CA 1 ATOM 6530 C C . VAL B 1 300 ? 19.961 1.710 -43.748 1.00 37.25 ? 300 VAL B C 1 ATOM 6531 O O . VAL B 1 300 ? 21.074 1.490 -44.223 1.00 37.08 ? 300 VAL B O 1 ATOM 6532 C CB . VAL B 1 300 ? 19.157 0.774 -41.509 1.00 37.13 ? 300 VAL B CB 1 ATOM 6533 C CG1 . VAL B 1 300 ? 18.341 -0.307 -40.816 1.00 37.07 ? 300 VAL B CG1 1 ATOM 6534 C CG2 . VAL B 1 300 ? 20.561 0.881 -40.894 1.00 37.19 ? 300 VAL B CG2 1 ATOM 6535 N N . PRO B 1 301 ? 19.445 2.957 -43.719 1.00 34.08 ? 301 PRO B N 1 ATOM 6536 C CA . PRO B 1 301 ? 20.213 4.076 -44.287 1.00 35.15 ? 301 PRO B CA 1 ATOM 6537 C C . PRO B 1 301 ? 21.650 4.132 -43.761 1.00 40.64 ? 301 PRO B C 1 ATOM 6538 O O . PRO B 1 301 ? 21.922 3.813 -42.604 1.00 40.86 ? 301 PRO B O 1 ATOM 6539 C CB . PRO B 1 301 ? 19.399 5.295 -43.839 1.00 36.26 ? 301 PRO B CB 1 ATOM 6540 C CG . PRO B 1 301 ? 17.983 4.769 -43.864 1.00 38.80 ? 301 PRO B CG 1 ATOM 6541 C CD . PRO B 1 301 ? 18.112 3.410 -43.265 1.00 33.91 ? 301 PRO B CD 1 ATOM 6542 N N . VAL B 1 302 ? 22.574 4.500 -44.645 1.00 38.63 ? 302 VAL B N 1 ATOM 6543 C CA . VAL B 1 302 ? 24.001 4.559 -44.339 1.00 38.43 ? 302 VAL B CA 1 ATOM 6544 C C . VAL B 1 302 ? 24.490 6.018 -44.344 1.00 43.60 ? 302 VAL B C 1 ATOM 6545 O O . VAL B 1 302 ? 24.034 6.809 -45.173 1.00 43.22 ? 302 VAL B O 1 ATOM 6546 C CB . VAL B 1 302 ? 24.815 3.634 -45.305 1.00 41.00 ? 302 VAL B CB 1 ATOM 6547 C CG1 . VAL B 1 302 ? 24.629 4.027 -46.781 1.00 39.54 ? 302 VAL B CG1 1 ATOM 6548 C CG2 . VAL B 1 302 ? 26.298 3.609 -44.941 1.00 41.97 ? 302 VAL B CG2 1 ATOM 6549 N N . VAL B 1 303 ? 25.410 6.377 -43.419 1.00 40.62 ? 303 VAL B N 1 ATOM 6550 C CA . VAL B 1 303 ? 25.998 7.721 -43.416 1.00 40.62 ? 303 VAL B CA 1 ATOM 6551 C C . VAL B 1 303 ? 27.057 7.640 -44.529 1.00 46.39 ? 303 VAL B C 1 ATOM 6552 O O . VAL B 1 303 ? 28.175 7.151 -44.323 1.00 46.55 ? 303 VAL B O 1 ATOM 6553 C CB . VAL B 1 303 ? 26.567 8.164 -42.044 1.00 43.51 ? 303 VAL B CB 1 ATOM 6554 C CG1 . VAL B 1 303 ? 27.175 9.559 -42.134 1.00 43.32 ? 303 VAL B CG1 1 ATOM 6555 C CG2 . VAL B 1 303 ? 25.498 8.099 -40.952 1.00 41.76 ? 303 VAL B CG2 1 ATOM 6556 N N . ASP B 1 304 ? 26.623 7.989 -45.748 1.00 42.97 ? 304 ASP B N 1 ATOM 6557 C CA . ASP B 1 304 ? 27.403 7.873 -46.981 1.00 43.91 ? 304 ASP B CA 1 ATOM 6558 C C . ASP B 1 304 ? 28.241 9.099 -47.359 1.00 50.21 ? 304 ASP B C 1 ATOM 6559 O O . ASP B 1 304 ? 29.119 8.988 -48.203 1.00 51.09 ? 304 ASP B O 1 ATOM 6560 C CB . ASP B 1 304 ? 26.455 7.513 -48.148 1.00 43.61 ? 304 ASP B CB 1 ATOM 6561 C CG . ASP B 1 304 ? 25.313 8.491 -48.383 1.00 45.42 ? 304 ASP B CG 1 ATOM 6562 O OD1 . ASP B 1 304 ? 25.057 9.346 -47.494 1.00 43.64 ? 304 ASP B OD1 1 ATOM 6563 O OD2 . ASP B 1 304 ? 24.629 8.364 -49.415 1.00 45.08 ? 304 ASP B OD2 1 ATOM 6564 N N . GLY B 1 305 ? 27.939 10.254 -46.777 1.00 47.61 ? 305 GLY B N 1 ATOM 6565 C CA . GLY B 1 305 ? 28.603 11.502 -47.140 1.00 48.09 ? 305 GLY B CA 1 ATOM 6566 C C . GLY B 1 305 ? 27.970 12.085 -48.391 1.00 52.28 ? 305 GLY B C 1 ATOM 6567 O O . GLY B 1 305 ? 28.477 13.054 -48.954 1.00 53.49 ? 305 GLY B O 1 ATOM 6568 N N . ASP B 1 306 ? 26.840 11.498 -48.833 1.00 47.53 ? 306 ASP B N 1 ATOM 6569 C CA . ASP B 1 306 ? 26.110 11.912 -50.031 1.00 46.44 ? 306 ASP B CA 1 ATOM 6570 C C . ASP B 1 306 ? 24.653 12.248 -49.672 1.00 47.42 ? 306 ASP B C 1 ATOM 6571 O O . ASP B 1 306 ? 24.381 13.418 -49.391 1.00 47.31 ? 306 ASP B O 1 ATOM 6572 C CB . ASP B 1 306 ? 26.239 10.854 -51.149 1.00 47.63 ? 306 ASP B CB 1 ATOM 6573 C CG . ASP B 1 306 ? 25.571 11.233 -52.460 1.00 54.38 ? 306 ASP B CG 1 ATOM 6574 O OD1 . ASP B 1 306 ? 25.333 12.441 -52.681 1.00 52.43 ? 306 ASP B OD1 1 ATOM 6575 O OD2 . ASP B 1 306 ? 25.326 10.324 -53.285 1.00 64.79 ? 306 ASP B OD2 1 ATOM 6576 N N . PHE B 1 307 ? 23.727 11.247 -49.640 1.00 41.53 ? 307 PHE B N 1 ATOM 6577 C CA . PHE B 1 307 ? 22.338 11.491 -49.190 1.00 39.58 ? 307 PHE B CA 1 ATOM 6578 C C . PHE B 1 307 ? 22.419 12.094 -47.755 1.00 42.36 ? 307 PHE B C 1 ATOM 6579 O O . PHE B 1 307 ? 21.756 13.085 -47.456 1.00 40.55 ? 307 PHE B O 1 ATOM 6580 C CB . PHE B 1 307 ? 21.493 10.195 -49.174 1.00 39.61 ? 307 PHE B CB 1 ATOM 6581 C CG . PHE B 1 307 ? 19.991 10.425 -49.051 1.00 39.99 ? 307 PHE B CG 1 ATOM 6582 C CD1 . PHE B 1 307 ? 19.408 10.739 -47.821 1.00 41.64 ? 307 PHE B CD1 1 ATOM 6583 C CD2 . PHE B 1 307 ? 19.156 10.282 -50.154 1.00 40.79 ? 307 PHE B CD2 1 ATOM 6584 C CE1 . PHE B 1 307 ? 18.032 10.988 -47.719 1.00 41.20 ? 307 PHE B CE1 1 ATOM 6585 C CE2 . PHE B 1 307 ? 17.776 10.492 -50.042 1.00 42.49 ? 307 PHE B CE2 1 ATOM 6586 C CZ . PHE B 1 307 ? 17.228 10.863 -48.829 1.00 40.18 ? 307 PHE B CZ 1 ATOM 6587 N N . LEU B 1 308 ? 23.251 11.494 -46.888 1.00 40.31 ? 308 LEU B N 1 ATOM 6588 C CA . LEU B 1 308 ? 23.475 12.006 -45.534 1.00 39.54 ? 308 LEU B CA 1 ATOM 6589 C C . LEU B 1 308 ? 24.908 12.511 -45.513 1.00 45.44 ? 308 LEU B C 1 ATOM 6590 O O . LEU B 1 308 ? 25.827 11.699 -45.517 1.00 44.17 ? 308 LEU B O 1 ATOM 6591 C CB . LEU B 1 308 ? 23.256 10.916 -44.460 1.00 38.42 ? 308 LEU B CB 1 ATOM 6592 C CG . LEU B 1 308 ? 21.835 10.354 -44.274 1.00 42.28 ? 308 LEU B CG 1 ATOM 6593 C CD1 . LEU B 1 308 ? 21.832 9.279 -43.186 1.00 40.16 ? 308 LEU B CD1 1 ATOM 6594 C CD2 . LEU B 1 308 ? 20.804 11.482 -43.913 1.00 43.03 ? 308 LEU B CD2 1 ATOM 6595 N N . SER B 1 309 ? 25.096 13.844 -45.544 1.00 45.29 ? 309 SER B N 1 ATOM 6596 C CA . SER B 1 309 ? 26.422 14.494 -45.582 1.00 47.80 ? 309 SER B CA 1 ATOM 6597 C C . SER B 1 309 ? 27.260 14.244 -44.314 1.00 51.78 ? 309 SER B C 1 ATOM 6598 O O . SER B 1 309 ? 28.483 14.312 -44.351 1.00 53.55 ? 309 SER B O 1 ATOM 6599 C CB . SER B 1 309 ? 26.286 15.989 -45.867 1.00 51.75 ? 309 SER B CB 1 ATOM 6600 O OG . SER B 1 309 ? 25.553 16.642 -44.841 1.00 56.97 ? 309 SER B OG 1 ATOM 6601 N N . ASP B 1 310 ? 26.587 13.929 -43.206 1.00 45.69 ? 310 ASP B N 1 ATOM 6602 C CA . ASP B 1 310 ? 27.191 13.614 -41.915 1.00 44.13 ? 310 ASP B CA 1 ATOM 6603 C C . ASP B 1 310 ? 26.172 12.762 -41.168 1.00 46.45 ? 310 ASP B C 1 ATOM 6604 O O . ASP B 1 310 ? 25.105 12.458 -41.712 1.00 45.56 ? 310 ASP B O 1 ATOM 6605 C CB . ASP B 1 310 ? 27.507 14.914 -41.140 1.00 45.70 ? 310 ASP B CB 1 ATOM 6606 C CG . ASP B 1 310 ? 28.678 14.829 -40.153 1.00 55.86 ? 310 ASP B CG 1 ATOM 6607 O OD1 . ASP B 1 310 ? 28.920 13.728 -39.599 1.00 56.05 ? 310 ASP B OD1 1 ATOM 6608 O OD2 . ASP B 1 310 ? 29.302 15.876 -39.884 1.00 57.97 ? 310 ASP B OD2 1 ATOM 6609 N N . THR B 1 311 ? 26.481 12.358 -39.941 1.00 43.38 ? 311 THR B N 1 ATOM 6610 C CA . THR B 1 311 ? 25.553 11.567 -39.132 1.00 42.28 ? 311 THR B CA 1 ATOM 6611 C C . THR B 1 311 ? 24.297 12.402 -38.828 1.00 44.59 ? 311 THR B C 1 ATOM 6612 O O . THR B 1 311 ? 24.428 13.617 -38.680 1.00 45.79 ? 311 THR B O 1 ATOM 6613 C CB . THR B 1 311 ? 26.203 11.178 -37.799 1.00 47.81 ? 311 THR B CB 1 ATOM 6614 O OG1 . THR B 1 311 ? 26.371 12.361 -37.027 1.00 45.73 ? 311 THR B OG1 1 ATOM 6615 C CG2 . THR B 1 311 ? 27.531 10.431 -37.969 1.00 44.25 ? 311 THR B CG2 1 ATOM 6616 N N . PRO B 1 312 ? 23.091 11.805 -38.691 1.00 41.00 ? 312 PRO B N 1 ATOM 6617 C CA . PRO B 1 312 ? 21.912 12.615 -38.303 1.00 40.40 ? 312 PRO B CA 1 ATOM 6618 C C . PRO B 1 312 ? 22.140 13.418 -37.022 1.00 45.95 ? 312 PRO B C 1 ATOM 6619 O O . PRO B 1 312 ? 21.652 14.535 -36.948 1.00 45.49 ? 312 PRO B O 1 ATOM 6620 C CB . PRO B 1 312 ? 20.807 11.573 -38.141 1.00 40.83 ? 312 PRO B CB 1 ATOM 6621 C CG . PRO B 1 312 ? 21.211 10.488 -39.108 1.00 45.41 ? 312 PRO B CG 1 ATOM 6622 C CD . PRO B 1 312 ? 22.706 10.396 -38.912 1.00 41.93 ? 312 PRO B CD 1 ATOM 6623 N N . GLU B 1 313 ? 22.905 12.871 -36.039 1.00 46.63 ? 313 GLU B N 1 ATOM 6624 C CA A GLU B 1 313 ? 23.236 13.565 -34.780 0.50 46.93 ? 313 GLU B CA 1 ATOM 6625 C CA B GLU B 1 313 ? 23.227 13.554 -34.783 0.50 47.27 ? 313 GLU B CA 1 ATOM 6626 C C . GLU B 1 313 ? 23.908 14.904 -35.089 1.00 51.50 ? 313 GLU B C 1 ATOM 6627 O O . GLU B 1 313 ? 23.476 15.929 -34.577 1.00 52.79 ? 313 GLU B O 1 ATOM 6628 C CB A GLU B 1 313 ? 24.161 12.712 -33.888 0.50 49.08 ? 313 GLU B CB 1 ATOM 6629 C CB B GLU B 1 313 ? 24.131 12.658 -33.916 0.50 49.67 ? 313 GLU B CB 1 ATOM 6630 C CG A GLU B 1 313 ? 24.462 13.353 -32.537 0.50 58.00 ? 313 GLU B CG 1 ATOM 6631 C CG B GLU B 1 313 ? 23.567 12.319 -32.538 0.50 61.89 ? 313 GLU B CG 1 ATOM 6632 C CD A GLU B 1 313 ? 25.646 12.773 -31.790 0.50 74.65 ? 313 GLU B CD 1 ATOM 6633 C CD B GLU B 1 313 ? 22.333 11.434 -32.440 0.50 70.63 ? 313 GLU B CD 1 ATOM 6634 O OE1 A GLU B 1 313 ? 25.445 11.800 -31.030 0.50 79.04 ? 313 GLU B OE1 1 ATOM 6635 O OE1 B GLU B 1 313 ? 21.468 11.770 -31.599 0.50 57.42 ? 313 GLU B OE1 1 ATOM 6636 O OE2 A GLU B 1 313 ? 26.765 13.319 -31.930 0.50 62.43 ? 313 GLU B OE2 1 ATOM 6637 O OE2 B GLU B 1 313 ? 22.244 10.393 -33.141 0.50 48.80 ? 313 GLU B OE2 1 ATOM 6638 N N . ALA B 1 314 ? 24.945 14.900 -35.956 1.00 46.90 ? 314 ALA B N 1 ATOM 6639 C CA . ALA B 1 314 ? 25.680 16.104 -36.351 1.00 47.46 ? 314 ALA B CA 1 ATOM 6640 C C . ALA B 1 314 ? 24.809 17.060 -37.170 1.00 52.08 ? 314 ALA B C 1 ATOM 6641 O O . ALA B 1 314 ? 24.922 18.281 -37.006 1.00 52.48 ? 314 ALA B O 1 ATOM 6642 C CB . ALA B 1 314 ? 26.934 15.732 -37.139 1.00 48.75 ? 314 ALA B CB 1 ATOM 6643 N N . LEU B 1 315 ? 23.945 16.510 -38.054 1.00 46.44 ? 315 LEU B N 1 ATOM 6644 C CA . LEU B 1 315 ? 23.072 17.326 -38.893 1.00 45.40 ? 315 LEU B CA 1 ATOM 6645 C C . LEU B 1 315 ? 21.926 17.974 -38.104 1.00 48.57 ? 315 LEU B C 1 ATOM 6646 O O . LEU B 1 315 ? 21.550 19.093 -38.434 1.00 47.94 ? 315 LEU B O 1 ATOM 6647 C CB . LEU B 1 315 ? 22.557 16.544 -40.127 1.00 44.03 ? 315 LEU B CB 1 ATOM 6648 C CG . LEU B 1 315 ? 23.609 16.006 -41.092 1.00 47.25 ? 315 LEU B CG 1 ATOM 6649 C CD1 . LEU B 1 315 ? 22.975 15.129 -42.156 1.00 44.95 ? 315 LEU B CD1 1 ATOM 6650 C CD2 . LEU B 1 315 ? 24.420 17.135 -41.732 1.00 50.00 ? 315 LEU B CD2 1 ATOM 6651 N N . ILE B 1 316 ? 21.399 17.316 -37.057 1.00 46.87 ? 316 ILE B N 1 ATOM 6652 C CA . ILE B 1 316 ? 20.338 17.929 -36.244 1.00 47.66 ? 316 ILE B CA 1 ATOM 6653 C C . ILE B 1 316 ? 20.915 19.010 -35.299 1.00 56.53 ? 316 ILE B C 1 ATOM 6654 O O . ILE B 1 316 ? 20.186 19.931 -34.940 1.00 56.62 ? 316 ILE B O 1 ATOM 6655 C CB . ILE B 1 316 ? 19.386 16.944 -35.504 1.00 49.35 ? 316 ILE B CB 1 ATOM 6656 C CG1 . ILE B 1 316 ? 20.067 16.275 -34.267 1.00 50.54 ? 316 ILE B CG1 1 ATOM 6657 C CG2 . ILE B 1 316 ? 18.783 15.921 -36.468 1.00 46.33 ? 316 ILE B CG2 1 ATOM 6658 C CD1 . ILE B 1 316 ? 19.099 15.467 -33.249 1.00 49.18 ? 316 ILE B CD1 1 ATOM 6659 N N . ASN B 1 317 ? 22.211 18.905 -34.912 1.00 55.21 ? 317 ASN B N 1 ATOM 6660 C CA . ASN B 1 317 ? 22.873 19.880 -34.021 1.00 55.45 ? 317 ASN B CA 1 ATOM 6661 C C . ASN B 1 317 ? 23.297 21.152 -34.758 1.00 60.52 ? 317 ASN B C 1 ATOM 6662 O O . ASN B 1 317 ? 23.253 22.221 -34.171 1.00 61.17 ? 317 ASN B O 1 ATOM 6663 C CB . ASN B 1 317 ? 24.096 19.267 -33.331 1.00 52.76 ? 317 ASN B CB 1 ATOM 6664 C CG . ASN B 1 317 ? 23.832 18.149 -32.351 1.00 67.87 ? 317 ASN B CG 1 ATOM 6665 O OD1 . ASN B 1 317 ? 22.709 17.911 -31.900 1.00 66.58 ? 317 ASN B OD1 1 ATOM 6666 N ND2 . ASN B 1 317 ? 24.886 17.438 -31.976 1.00 60.18 ? 317 ASN B ND2 1 ATOM 6667 N N . THR B 1 318 ? 23.698 21.042 -36.029 1.00 58.75 ? 318 THR B N 1 ATOM 6668 C CA . THR B 1 318 ? 24.183 22.178 -36.819 1.00 60.56 ? 318 THR B CA 1 ATOM 6669 C C . THR B 1 318 ? 23.190 22.750 -37.832 1.00 65.82 ? 318 THR B C 1 ATOM 6670 O O . THR B 1 318 ? 23.462 23.809 -38.409 1.00 67.72 ? 318 THR B O 1 ATOM 6671 C CB . THR B 1 318 ? 25.498 21.816 -37.541 1.00 67.62 ? 318 THR B CB 1 ATOM 6672 O OG1 . THR B 1 318 ? 25.229 20.815 -38.527 1.00 65.13 ? 318 THR B OG1 1 ATOM 6673 C CG2 . THR B 1 318 ? 26.601 21.366 -36.585 1.00 64.99 ? 318 THR B CG2 1 ATOM 6674 N N . GLY B 1 319 ? 22.091 22.044 -38.076 1.00 60.19 ? 319 GLY B N 1 ATOM 6675 C CA . GLY B 1 319 ? 21.103 22.459 -39.064 1.00 59.43 ? 319 GLY B CA 1 ATOM 6676 C C . GLY B 1 319 ? 20.310 23.703 -38.723 1.00 63.09 ? 319 GLY B C 1 ATOM 6677 O O . GLY B 1 319 ? 20.056 23.994 -37.549 1.00 61.93 ? 319 GLY B O 1 ATOM 6678 N N . ASP B 1 320 ? 19.905 24.438 -39.768 1.00 60.01 ? 320 ASP B N 1 ATOM 6679 C CA . ASP B 1 320 ? 19.060 25.629 -39.660 1.00 59.77 ? 320 ASP B CA 1 ATOM 6680 C C . ASP B 1 320 ? 17.656 25.165 -40.094 1.00 58.70 ? 320 ASP B C 1 ATOM 6681 O O . ASP B 1 320 ? 17.461 24.775 -41.243 1.00 55.21 ? 320 ASP B O 1 ATOM 6682 C CB . ASP B 1 320 ? 19.590 26.778 -40.554 1.00 63.32 ? 320 ASP B CB 1 ATOM 6683 C CG . ASP B 1 320 ? 18.760 28.058 -40.541 1.00 76.55 ? 320 ASP B CG 1 ATOM 6684 O OD1 . ASP B 1 320 ? 17.939 28.230 -39.613 1.00 77.48 ? 320 ASP B OD1 1 ATOM 6685 O OD2 . ASP B 1 320 ? 18.956 28.901 -41.440 1.00 84.55 ? 320 ASP B OD2 1 ATOM 6686 N N . PHE B 1 321 ? 16.700 25.156 -39.147 1.00 54.29 ? 321 PHE B N 1 ATOM 6687 C CA . PHE B 1 321 ? 15.351 24.650 -39.414 1.00 51.76 ? 321 PHE B CA 1 ATOM 6688 C C . PHE B 1 321 ? 14.262 25.721 -39.315 1.00 57.48 ? 321 PHE B C 1 ATOM 6689 O O . PHE B 1 321 ? 13.102 25.379 -39.140 1.00 56.99 ? 321 PHE B O 1 ATOM 6690 C CB . PHE B 1 321 ? 15.057 23.443 -38.487 1.00 50.51 ? 321 PHE B CB 1 ATOM 6691 C CG . PHE B 1 321 ? 16.070 22.326 -38.590 1.00 49.27 ? 321 PHE B CG 1 ATOM 6692 C CD1 . PHE B 1 321 ? 16.103 21.497 -39.702 1.00 49.30 ? 321 PHE B CD1 1 ATOM 6693 C CD2 . PHE B 1 321 ? 16.991 22.102 -37.574 1.00 50.29 ? 321 PHE B CD2 1 ATOM 6694 C CE1 . PHE B 1 321 ? 17.047 20.475 -39.802 1.00 49.14 ? 321 PHE B CE1 1 ATOM 6695 C CE2 . PHE B 1 321 ? 17.925 21.067 -37.671 1.00 51.84 ? 321 PHE B CE2 1 ATOM 6696 C CZ . PHE B 1 321 ? 17.941 20.255 -38.781 1.00 48.19 ? 321 PHE B CZ 1 ATOM 6697 N N . GLN B 1 322 ? 14.627 27.002 -39.498 1.00 57.92 ? 322 GLN B N 1 ATOM 6698 C CA . GLN B 1 322 ? 13.733 28.166 -39.410 1.00 59.95 ? 322 GLN B CA 1 ATOM 6699 C C . GLN B 1 322 ? 12.462 28.097 -40.270 1.00 65.04 ? 322 GLN B C 1 ATOM 6700 O O . GLN B 1 322 ? 11.383 28.486 -39.810 1.00 67.44 ? 322 GLN B O 1 ATOM 6701 C CB . GLN B 1 322 ? 14.495 29.461 -39.711 1.00 63.30 ? 322 GLN B CB 1 ATOM 6702 C CG . GLN B 1 322 ? 15.283 29.985 -38.511 1.00 85.90 ? 322 GLN B CG 1 ATOM 6703 C CD . GLN B 1 322 ? 15.927 31.320 -38.787 1.00 115.17 ? 322 GLN B CD 1 ATOM 6704 O OE1 . GLN B 1 322 ? 15.560 32.339 -38.194 1.00 115.71 ? 322 GLN B OE1 1 ATOM 6705 N NE2 . GLN B 1 322 ? 16.911 31.348 -39.685 1.00 104.84 ? 322 GLN B NE2 1 ATOM 6706 N N . ASP B 1 323 ? 12.578 27.572 -41.478 1.00 60.43 ? 323 ASP B N 1 ATOM 6707 C CA . ASP B 1 323 ? 11.478 27.472 -42.449 1.00 61.01 ? 323 ASP B CA 1 ATOM 6708 C C . ASP B 1 323 ? 10.554 26.245 -42.255 1.00 60.50 ? 323 ASP B C 1 ATOM 6709 O O . ASP B 1 323 ? 9.668 26.009 -43.081 1.00 59.49 ? 323 ASP B O 1 ATOM 6710 C CB . ASP B 1 323 ? 12.103 27.414 -43.866 1.00 64.65 ? 323 ASP B CB 1 ATOM 6711 C CG . ASP B 1 323 ? 12.958 26.173 -44.133 1.00 86.24 ? 323 ASP B CG 1 ATOM 6712 O OD1 . ASP B 1 323 ? 13.786 25.800 -43.241 1.00 86.13 ? 323 ASP B OD1 1 ATOM 6713 O OD2 . ASP B 1 323 ? 12.817 25.580 -45.235 1.00 99.00 ? 323 ASP B OD2 1 ATOM 6714 N N . LEU B 1 324 ? 10.782 25.453 -41.197 1.00 53.14 ? 324 LEU B N 1 ATOM 6715 C CA . LEU B 1 324 ? 10.104 24.181 -41.008 1.00 49.41 ? 324 LEU B CA 1 ATOM 6716 C C . LEU B 1 324 ? 9.105 24.099 -39.879 1.00 45.39 ? 324 LEU B C 1 ATOM 6717 O O . LEU B 1 324 ? 9.375 24.576 -38.792 1.00 43.58 ? 324 LEU B O 1 ATOM 6718 C CB . LEU B 1 324 ? 11.218 23.144 -40.785 1.00 48.88 ? 324 LEU B CB 1 ATOM 6719 C CG . LEU B 1 324 ? 10.922 21.677 -40.993 1.00 53.26 ? 324 LEU B CG 1 ATOM 6720 C CD1 . LEU B 1 324 ? 10.545 21.387 -42.452 1.00 54.08 ? 324 LEU B CD1 1 ATOM 6721 C CD2 . LEU B 1 324 ? 12.116 20.860 -40.604 1.00 55.65 ? 324 LEU B CD2 1 ATOM 6722 N N . GLN B 1 325 ? 7.975 23.417 -40.135 1.00 40.13 ? 325 GLN B N 1 ATOM 6723 C CA . GLN B 1 325 ? 6.972 23.062 -39.128 1.00 38.86 ? 325 GLN B CA 1 ATOM 6724 C C . GLN B 1 325 ? 6.999 21.552 -39.030 1.00 39.48 ? 325 GLN B C 1 ATOM 6725 O O . GLN B 1 325 ? 7.009 20.881 -40.057 1.00 35.51 ? 325 GLN B O 1 ATOM 6726 C CB . GLN B 1 325 ? 5.552 23.555 -39.429 1.00 40.45 ? 325 GLN B CB 1 ATOM 6727 C CG . GLN B 1 325 ? 5.410 25.059 -39.548 1.00 47.60 ? 325 GLN B CG 1 ATOM 6728 C CD . GLN B 1 325 ? 5.440 25.487 -40.990 1.00 57.39 ? 325 GLN B CD 1 ATOM 6729 O OE1 . GLN B 1 325 ? 4.882 24.834 -41.878 1.00 48.51 ? 325 GLN B OE1 1 ATOM 6730 N NE2 . GLN B 1 325 ? 6.140 26.562 -41.266 1.00 56.82 ? 325 GLN B NE2 1 ATOM 6731 N N . VAL B 1 326 ? 7.089 21.017 -37.795 1.00 37.34 ? 326 VAL B N 1 ATOM 6732 C CA . VAL B 1 326 ? 7.186 19.578 -37.543 1.00 37.55 ? 326 VAL B CA 1 ATOM 6733 C C . VAL B 1 326 ? 6.212 19.138 -36.433 1.00 40.36 ? 326 VAL B C 1 ATOM 6734 O O . VAL B 1 326 ? 6.104 19.797 -35.412 1.00 38.25 ? 326 VAL B O 1 ATOM 6735 C CB . VAL B 1 326 ? 8.660 19.185 -37.195 1.00 42.85 ? 326 VAL B CB 1 ATOM 6736 C CG1 . VAL B 1 326 ? 8.774 17.717 -36.848 1.00 42.62 ? 326 VAL B CG1 1 ATOM 6737 C CG2 . VAL B 1 326 ? 9.602 19.490 -38.359 1.00 42.95 ? 326 VAL B CG2 1 ATOM 6738 N N . LEU B 1 327 ? 5.529 18.005 -36.644 1.00 36.52 ? 327 LEU B N 1 ATOM 6739 C CA . LEU B 1 327 ? 4.652 17.363 -35.672 1.00 35.05 ? 327 LEU B CA 1 ATOM 6740 C C . LEU B 1 327 ? 5.369 16.043 -35.325 1.00 37.66 ? 327 LEU B C 1 ATOM 6741 O O . LEU B 1 327 ? 5.764 15.299 -36.230 1.00 35.46 ? 327 LEU B O 1 ATOM 6742 C CB . LEU B 1 327 ? 3.248 17.137 -36.278 1.00 35.18 ? 327 LEU B CB 1 ATOM 6743 C CG . LEU B 1 327 ? 2.217 16.306 -35.484 1.00 39.43 ? 327 LEU B CG 1 ATOM 6744 C CD1 . LEU B 1 327 ? 1.992 16.888 -34.106 1.00 40.07 ? 327 LEU B CD1 1 ATOM 6745 C CD2 . LEU B 1 327 ? 0.869 16.253 -36.233 1.00 39.67 ? 327 LEU B CD2 1 ATOM 6746 N N . VAL B 1 328 ? 5.679 15.831 -34.042 1.00 34.31 ? 328 VAL B N 1 ATOM 6747 C CA . VAL B 1 328 ? 6.416 14.631 -33.596 1.00 34.52 ? 328 VAL B CA 1 ATOM 6748 C C . VAL B 1 328 ? 5.700 13.994 -32.403 1.00 39.00 ? 328 VAL B C 1 ATOM 6749 O O . VAL B 1 328 ? 5.135 14.688 -31.569 1.00 38.61 ? 328 VAL B O 1 ATOM 6750 C CB . VAL B 1 328 ? 7.927 14.902 -33.240 1.00 38.88 ? 328 VAL B CB 1 ATOM 6751 C CG1 . VAL B 1 328 ? 8.700 15.383 -34.446 1.00 40.38 ? 328 VAL B CG1 1 ATOM 6752 C CG2 . VAL B 1 328 ? 8.074 15.918 -32.090 1.00 38.38 ? 328 VAL B CG2 1 ATOM 6753 N N . GLY B 1 329 ? 5.805 12.691 -32.277 1.00 35.88 ? 329 GLY B N 1 ATOM 6754 C CA . GLY B 1 329 ? 5.227 12.055 -31.112 1.00 35.75 ? 329 GLY B CA 1 ATOM 6755 C C . GLY B 1 329 ? 5.533 10.595 -30.975 1.00 36.57 ? 329 GLY B C 1 ATOM 6756 O O . GLY B 1 329 ? 6.231 10.009 -31.805 1.00 32.82 ? 329 GLY B O 1 ATOM 6757 N N . VAL B 1 330 ? 5.012 10.020 -29.898 1.00 34.33 ? 330 VAL B N 1 ATOM 6758 C CA . VAL B 1 330 ? 5.241 8.634 -29.503 1.00 33.86 ? 330 VAL B CA 1 ATOM 6759 C C . VAL B 1 330 ? 3.943 7.997 -29.035 1.00 38.11 ? 330 VAL B C 1 ATOM 6760 O O . VAL B 1 330 ? 3.000 8.704 -28.696 1.00 37.73 ? 330 VAL B O 1 ATOM 6761 C CB . VAL B 1 330 ? 6.337 8.549 -28.379 1.00 36.74 ? 330 VAL B CB 1 ATOM 6762 C CG1 . VAL B 1 330 ? 7.686 9.090 -28.860 1.00 36.02 ? 330 VAL B CG1 1 ATOM 6763 C CG2 . VAL B 1 330 ? 5.889 9.273 -27.085 1.00 36.20 ? 330 VAL B CG2 1 ATOM 6764 N N . VAL B 1 331 ? 3.899 6.655 -28.997 1.00 35.35 ? 331 VAL B N 1 ATOM 6765 C CA . VAL B 1 331 ? 2.770 5.918 -28.423 1.00 35.36 ? 331 VAL B CA 1 ATOM 6766 C C . VAL B 1 331 ? 3.185 5.589 -26.991 1.00 40.01 ? 331 VAL B C 1 ATOM 6767 O O . VAL B 1 331 ? 4.368 5.720 -26.654 1.00 38.17 ? 331 VAL B O 1 ATOM 6768 C CB . VAL B 1 331 ? 2.334 4.660 -29.229 1.00 37.38 ? 331 VAL B CB 1 ATOM 6769 C CG1 . VAL B 1 331 ? 1.829 5.042 -30.611 1.00 35.97 ? 331 VAL B CG1 1 ATOM 6770 C CG2 . VAL B 1 331 ? 3.440 3.615 -29.300 1.00 36.34 ? 331 VAL B CG2 1 ATOM 6771 N N . LYS B 1 332 ? 2.235 5.178 -26.155 1.00 39.25 ? 332 LYS B N 1 ATOM 6772 C CA . LYS B 1 332 ? 2.484 4.876 -24.736 1.00 39.60 ? 332 LYS B CA 1 ATOM 6773 C C . LYS B 1 332 ? 3.489 3.722 -24.512 1.00 43.66 ? 332 LYS B C 1 ATOM 6774 O O . LYS B 1 332 ? 4.258 3.777 -23.558 1.00 42.80 ? 332 LYS B O 1 ATOM 6775 C CB . LYS B 1 332 ? 1.141 4.586 -24.039 1.00 42.60 ? 332 LYS B CB 1 ATOM 6776 C CG . LYS B 1 332 ? 1.150 4.626 -22.509 1.00 48.84 ? 332 LYS B CG 1 ATOM 6777 C CD . LYS B 1 332 ? -0.295 4.469 -22.018 1.00 59.04 ? 332 LYS B CD 1 ATOM 6778 C CE . LYS B 1 332 ? -0.558 3.254 -21.147 1.00 68.99 ? 332 LYS B CE 1 ATOM 6779 N NZ . LYS B 1 332 ? -0.438 1.960 -21.867 1.00 59.42 ? 332 LYS B NZ 1 ATOM 6780 N N . ASP B 1 333 ? 3.486 2.690 -25.373 1.00 41.46 ? 333 ASP B N 1 ATOM 6781 C CA . ASP B 1 333 ? 4.360 1.515 -25.179 1.00 42.24 ? 333 ASP B CA 1 ATOM 6782 C C . ASP B 1 333 ? 5.141 1.126 -26.418 1.00 45.90 ? 333 ASP B C 1 ATOM 6783 O O . ASP B 1 333 ? 4.960 0.047 -26.975 1.00 46.09 ? 333 ASP B O 1 ATOM 6784 C CB . ASP B 1 333 ? 3.555 0.323 -24.631 1.00 44.86 ? 333 ASP B CB 1 ATOM 6785 C CG . ASP B 1 333 ? 2.716 0.676 -23.419 1.00 51.17 ? 333 ASP B CG 1 ATOM 6786 O OD1 . ASP B 1 333 ? 1.598 1.197 -23.605 1.00 49.57 ? 333 ASP B OD1 1 ATOM 6787 O OD2 . ASP B 1 333 ? 3.214 0.513 -22.290 1.00 55.78 ? 333 ASP B OD2 1 ATOM 6788 N N . GLU B 1 334 ? 6.046 2.016 -26.820 1.00 43.10 ? 334 GLU B N 1 ATOM 6789 C CA . GLU B 1 334 ? 6.920 1.847 -27.992 1.00 42.65 ? 334 GLU B CA 1 ATOM 6790 C C . GLU B 1 334 ? 7.676 0.509 -28.043 1.00 48.89 ? 334 GLU B C 1 ATOM 6791 O O . GLU B 1 334 ? 7.750 -0.100 -29.099 1.00 49.45 ? 334 GLU B O 1 ATOM 6792 C CB . GLU B 1 334 ? 7.939 3.007 -28.049 1.00 42.54 ? 334 GLU B CB 1 ATOM 6793 C CG . GLU B 1 334 ? 7.310 4.362 -28.330 1.00 43.20 ? 334 GLU B CG 1 ATOM 6794 C CD . GLU B 1 334 ? 6.782 4.528 -29.736 1.00 54.04 ? 334 GLU B CD 1 ATOM 6795 O OE1 . GLU B 1 334 ? 6.994 3.620 -30.565 1.00 45.06 ? 334 GLU B OE1 1 ATOM 6796 O OE2 . GLU B 1 334 ? 6.163 5.575 -30.018 1.00 41.71 ? 334 GLU B OE2 1 ATOM 6797 N N . GLY B 1 335 ? 8.223 0.068 -26.912 1.00 46.14 ? 335 GLY B N 1 ATOM 6798 C CA . GLY B 1 335 ? 9.043 -1.132 -26.904 1.00 47.02 ? 335 GLY B CA 1 ATOM 6799 C C . GLY B 1 335 ? 8.405 -2.488 -26.714 1.00 51.02 ? 335 GLY B C 1 ATOM 6800 O O . GLY B 1 335 ? 9.101 -3.489 -26.879 1.00 49.41 ? 335 GLY B O 1 ATOM 6801 N N . SER B 1 336 ? 7.112 -2.548 -26.358 1.00 51.14 ? 336 SER B N 1 ATOM 6802 C CA . SER B 1 336 ? 6.451 -3.805 -25.979 1.00 54.30 ? 336 SER B CA 1 ATOM 6803 C C . SER B 1 336 ? 6.455 -4.917 -27.063 1.00 61.34 ? 336 SER B C 1 ATOM 6804 O O . SER B 1 336 ? 6.729 -6.063 -26.705 1.00 62.72 ? 336 SER B O 1 ATOM 6805 C CB . SER B 1 336 ? 5.049 -3.565 -25.426 1.00 57.30 ? 336 SER B CB 1 ATOM 6806 O OG . SER B 1 336 ? 4.145 -3.069 -26.393 1.00 56.51 ? 336 SER B OG 1 ATOM 6807 N N . TYR B 1 337 ? 6.252 -4.593 -28.353 1.00 58.17 ? 337 TYR B N 1 ATOM 6808 C CA . TYR B 1 337 ? 6.298 -5.587 -29.433 1.00 58.16 ? 337 TYR B CA 1 ATOM 6809 C C . TYR B 1 337 ? 7.659 -6.283 -29.529 1.00 59.56 ? 337 TYR B C 1 ATOM 6810 O O . TYR B 1 337 ? 7.720 -7.500 -29.707 1.00 60.21 ? 337 TYR B O 1 ATOM 6811 C CB . TYR B 1 337 ? 5.923 -4.978 -30.818 1.00 58.93 ? 337 TYR B CB 1 ATOM 6812 C CG . TYR B 1 337 ? 6.374 -5.838 -31.989 1.00 62.24 ? 337 TYR B CG 1 ATOM 6813 C CD1 . TYR B 1 337 ? 5.803 -7.089 -32.224 1.00 66.49 ? 337 TYR B CD1 1 ATOM 6814 C CD2 . TYR B 1 337 ? 7.427 -5.436 -32.811 1.00 61.80 ? 337 TYR B CD2 1 ATOM 6815 C CE1 . TYR B 1 337 ? 6.260 -7.914 -33.253 1.00 68.55 ? 337 TYR B CE1 1 ATOM 6816 C CE2 . TYR B 1 337 ? 7.913 -6.265 -33.821 1.00 62.74 ? 337 TYR B CE2 1 ATOM 6817 C CZ . TYR B 1 337 ? 7.299 -7.487 -34.066 1.00 73.58 ? 337 TYR B CZ 1 ATOM 6818 O OH . TYR B 1 337 ? 7.711 -8.296 -35.104 1.00 74.52 ? 337 TYR B OH 1 ATOM 6819 N N . PHE B 1 338 ? 8.731 -5.492 -29.474 1.00 51.63 ? 338 PHE B N 1 ATOM 6820 C CA . PHE B 1 338 ? 10.117 -5.925 -29.612 1.00 49.63 ? 338 PHE B CA 1 ATOM 6821 C C . PHE B 1 338 ? 10.551 -6.952 -28.568 1.00 52.39 ? 338 PHE B C 1 ATOM 6822 O O . PHE B 1 338 ? 11.405 -7.779 -28.873 1.00 52.88 ? 338 PHE B O 1 ATOM 6823 C CB . PHE B 1 338 ? 11.039 -4.696 -29.644 1.00 49.28 ? 338 PHE B CB 1 ATOM 6824 C CG . PHE B 1 338 ? 10.696 -3.826 -30.840 1.00 48.79 ? 338 PHE B CG 1 ATOM 6825 C CD1 . PHE B 1 338 ? 11.208 -4.118 -32.105 1.00 48.67 ? 338 PHE B CD1 1 ATOM 6826 C CD2 . PHE B 1 338 ? 9.803 -2.757 -30.714 1.00 48.03 ? 338 PHE B CD2 1 ATOM 6827 C CE1 . PHE B 1 338 ? 10.859 -3.341 -33.215 1.00 48.52 ? 338 PHE B CE1 1 ATOM 6828 C CE2 . PHE B 1 338 ? 9.454 -1.984 -31.826 1.00 49.15 ? 338 PHE B CE2 1 ATOM 6829 C CZ . PHE B 1 338 ? 10.004 -2.268 -33.064 1.00 47.12 ? 338 PHE B CZ 1 ATOM 6830 N N . LEU B 1 339 ? 9.913 -6.957 -27.388 1.00 49.39 ? 339 LEU B N 1 ATOM 6831 C CA . LEU B 1 339 ? 10.204 -7.907 -26.305 1.00 50.90 ? 339 LEU B CA 1 ATOM 6832 C C . LEU B 1 339 ? 9.763 -9.335 -26.635 1.00 59.44 ? 339 LEU B C 1 ATOM 6833 O O . LEU B 1 339 ? 10.513 -10.267 -26.353 1.00 59.69 ? 339 LEU B O 1 ATOM 6834 C CB . LEU B 1 339 ? 9.558 -7.457 -24.987 1.00 50.39 ? 339 LEU B CB 1 ATOM 6835 C CG . LEU B 1 339 ? 9.948 -6.071 -24.454 1.00 51.77 ? 339 LEU B CG 1 ATOM 6836 C CD1 . LEU B 1 339 ? 9.243 -5.799 -23.176 1.00 50.85 ? 339 LEU B CD1 1 ATOM 6837 C CD2 . LEU B 1 339 ? 11.443 -5.954 -24.244 1.00 51.74 ? 339 LEU B CD2 1 ATOM 6838 N N . VAL B 1 340 ? 8.568 -9.512 -27.249 1.00 59.39 ? 340 VAL B N 1 ATOM 6839 C CA . VAL B 1 340 ? 8.051 -10.838 -27.608 1.00 62.80 ? 340 VAL B CA 1 ATOM 6840 C C . VAL B 1 340 ? 8.870 -11.445 -28.754 1.00 69.67 ? 340 VAL B C 1 ATOM 6841 O O . VAL B 1 340 ? 8.952 -12.668 -28.880 1.00 71.14 ? 340 VAL B O 1 ATOM 6842 C CB . VAL B 1 340 ? 6.508 -10.899 -27.865 1.00 67.65 ? 340 VAL B CB 1 ATOM 6843 C CG1 . VAL B 1 340 ? 5.721 -10.263 -26.723 1.00 67.39 ? 340 VAL B CG1 1 ATOM 6844 C CG2 . VAL B 1 340 ? 6.117 -10.277 -29.203 1.00 66.22 ? 340 VAL B CG2 1 ATOM 6845 N N . TYR B 1 341 ? 9.496 -10.581 -29.562 1.00 66.96 ? 341 TYR B N 1 ATOM 6846 C CA . TYR B 1 341 ? 10.306 -11.002 -30.696 1.00 67.16 ? 341 TYR B CA 1 ATOM 6847 C C . TYR B 1 341 ? 11.675 -11.598 -30.308 1.00 73.04 ? 341 TYR B C 1 ATOM 6848 O O . TYR B 1 341 ? 12.121 -12.511 -30.992 1.00 76.28 ? 341 TYR B O 1 ATOM 6849 C CB . TYR B 1 341 ? 10.461 -9.857 -31.696 1.00 65.78 ? 341 TYR B CB 1 ATOM 6850 N N . GLY B 1 342 ? 12.321 -11.115 -29.242 1.00 67.07 ? 342 GLY B N 1 ATOM 6851 C CA . GLY B 1 342 ? 13.645 -11.627 -28.888 1.00 66.28 ? 342 GLY B CA 1 ATOM 6852 C C . GLY B 1 342 ? 14.141 -11.605 -27.451 1.00 67.07 ? 342 GLY B C 1 ATOM 6853 O O . GLY B 1 342 ? 15.295 -11.984 -27.213 1.00 67.02 ? 342 GLY B O 1 ATOM 6854 N N . VAL B 1 343 ? 13.301 -11.206 -26.470 1.00 60.33 ? 343 VAL B N 1 ATOM 6855 C CA . VAL B 1 343 ? 13.735 -11.227 -25.064 1.00 58.66 ? 343 VAL B CA 1 ATOM 6856 C C . VAL B 1 343 ? 13.195 -12.475 -24.342 1.00 62.31 ? 343 VAL B C 1 ATOM 6857 O O . VAL B 1 343 ? 11.976 -12.608 -24.223 1.00 61.54 ? 343 VAL B O 1 ATOM 6858 C CB . VAL B 1 343 ? 13.427 -9.923 -24.270 1.00 60.36 ? 343 VAL B CB 1 ATOM 6859 C CG1 . VAL B 1 343 ? 14.010 -9.995 -22.862 1.00 60.10 ? 343 VAL B CG1 1 ATOM 6860 C CG2 . VAL B 1 343 ? 13.961 -8.700 -24.995 1.00 58.42 ? 343 VAL B CG2 1 ATOM 6861 N N . PRO B 1 344 ? 14.068 -13.367 -23.810 1.00 60.32 ? 344 PRO B N 1 ATOM 6862 C CA . PRO B 1 344 ? 13.570 -14.546 -23.087 1.00 62.28 ? 344 PRO B CA 1 ATOM 6863 C C . PRO B 1 344 ? 12.728 -14.173 -21.869 1.00 66.03 ? 344 PRO B C 1 ATOM 6864 O O . PRO B 1 344 ? 13.080 -13.251 -21.115 1.00 65.05 ? 344 PRO B O 1 ATOM 6865 C CB . PRO B 1 344 ? 14.856 -15.287 -22.687 1.00 65.67 ? 344 PRO B CB 1 ATOM 6866 C CG . PRO B 1 344 ? 15.882 -14.816 -23.669 1.00 69.28 ? 344 PRO B CG 1 ATOM 6867 C CD . PRO B 1 344 ? 15.542 -13.368 -23.856 1.00 62.76 ? 344 PRO B CD 1 ATOM 6868 N N . GLY B 1 345 ? 11.614 -14.887 -21.722 1.00 62.60 ? 345 GLY B N 1 ATOM 6869 C CA . GLY B 1 345 ? 10.634 -14.706 -20.661 1.00 62.68 ? 345 GLY B CA 1 ATOM 6870 C C . GLY B 1 345 ? 9.411 -13.960 -21.156 1.00 65.01 ? 345 GLY B C 1 ATOM 6871 O O . GLY B 1 345 ? 8.380 -13.930 -20.476 1.00 66.87 ? 345 GLY B O 1 ATOM 6872 N N . PHE B 1 346 ? 9.516 -13.344 -22.345 1.00 57.98 ? 346 PHE B N 1 ATOM 6873 C CA . PHE B 1 346 ? 8.418 -12.574 -22.930 1.00 56.18 ? 346 PHE B CA 1 ATOM 6874 C C . PHE B 1 346 ? 7.621 -13.377 -23.932 1.00 63.41 ? 346 PHE B C 1 ATOM 6875 O O . PHE B 1 346 ? 8.194 -14.122 -24.734 1.00 63.39 ? 346 PHE B O 1 ATOM 6876 C CB . PHE B 1 346 ? 8.899 -11.247 -23.524 1.00 54.48 ? 346 PHE B CB 1 ATOM 6877 C CG . PHE B 1 346 ? 9.295 -10.248 -22.460 1.00 54.23 ? 346 PHE B CG 1 ATOM 6878 C CD1 . PHE B 1 346 ? 10.558 -10.285 -21.884 1.00 56.26 ? 346 PHE B CD1 1 ATOM 6879 C CD2 . PHE B 1 346 ? 8.400 -9.277 -22.025 1.00 54.78 ? 346 PHE B CD2 1 ATOM 6880 C CE1 . PHE B 1 346 ? 10.920 -9.371 -20.892 1.00 56.52 ? 346 PHE B CE1 1 ATOM 6881 C CE2 . PHE B 1 346 ? 8.760 -8.374 -21.028 1.00 57.03 ? 346 PHE B CE2 1 ATOM 6882 C CZ . PHE B 1 346 ? 10.023 -8.414 -20.478 1.00 55.25 ? 346 PHE B CZ 1 ATOM 6883 N N . SER B 1 347 ? 6.283 -13.238 -23.860 1.00 61.40 ? 347 SER B N 1 ATOM 6884 C CA . SER B 1 347 ? 5.322 -13.921 -24.727 1.00 61.56 ? 347 SER B CA 1 ATOM 6885 C C . SER B 1 347 ? 4.036 -13.112 -24.818 1.00 62.84 ? 347 SER B C 1 ATOM 6886 O O . SER B 1 347 ? 3.621 -12.499 -23.838 1.00 60.40 ? 347 SER B O 1 ATOM 6887 C CB . SER B 1 347 ? 5.006 -15.309 -24.167 1.00 68.24 ? 347 SER B CB 1 ATOM 6888 O OG . SER B 1 347 ? 4.067 -16.001 -24.972 1.00 78.06 ? 347 SER B OG 1 ATOM 6889 N N . LYS B 1 348 ? 3.371 -13.163 -25.977 1.00 60.38 ? 348 LYS B N 1 ATOM 6890 C CA . LYS B 1 348 ? 2.073 -12.508 -26.170 1.00 59.51 ? 348 LYS B CA 1 ATOM 6891 C C . LYS B 1 348 ? 0.960 -13.349 -25.501 1.00 65.20 ? 348 LYS B C 1 ATOM 6892 O O . LYS B 1 348 ? -0.143 -12.848 -25.278 1.00 65.02 ? 348 LYS B O 1 ATOM 6893 C CB . LYS B 1 348 ? 1.770 -12.329 -27.681 1.00 60.06 ? 348 LYS B CB 1 ATOM 6894 C CG . LYS B 1 348 ? 1.297 -13.604 -28.398 1.00 58.68 ? 348 LYS B CG 1 ATOM 6895 C CD . LYS B 1 348 ? 0.672 -13.313 -29.749 1.00 66.16 ? 348 LYS B CD 1 ATOM 6896 C CE . LYS B 1 348 ? -0.128 -14.476 -30.323 1.00 62.29 ? 348 LYS B CE 1 ATOM 6897 N NZ . LYS B 1 348 ? -1.366 -14.751 -29.547 1.00 65.13 ? 348 LYS B NZ 1 ATOM 6898 N N . ASP B 1 349 ? 1.254 -14.632 -25.207 1.00 63.16 ? 349 ASP B N 1 ATOM 6899 C CA . ASP B 1 349 ? 0.287 -15.603 -24.697 1.00 64.95 ? 349 ASP B CA 1 ATOM 6900 C C . ASP B 1 349 ? 0.255 -15.763 -23.174 1.00 70.02 ? 349 ASP B C 1 ATOM 6901 O O . ASP B 1 349 ? -0.569 -16.530 -22.665 1.00 72.22 ? 349 ASP B O 1 ATOM 6902 C CB . ASP B 1 349 ? 0.501 -16.951 -25.399 1.00 67.45 ? 349 ASP B CB 1 ATOM 6903 C CG . ASP B 1 349 ? 0.195 -16.863 -26.882 1.00 70.08 ? 349 ASP B CG 1 ATOM 6904 O OD1 . ASP B 1 349 ? -0.862 -16.288 -27.237 1.00 67.64 ? 349 ASP B OD1 1 ATOM 6905 O OD2 . ASP B 1 349 ? 1.024 -17.341 -27.690 1.00 76.34 ? 349 ASP B OD2 1 ATOM 6906 N N . ASN B 1 350 ? 1.107 -15.019 -22.453 1.00 64.43 ? 350 ASN B N 1 ATOM 6907 C CA . ASN B 1 350 ? 1.138 -14.987 -20.985 1.00 64.44 ? 350 ASN B CA 1 ATOM 6908 C C . ASN B 1 350 ? 1.410 -13.548 -20.538 1.00 65.33 ? 350 ASN B C 1 ATOM 6909 O O . ASN B 1 350 ? 1.713 -12.701 -21.391 1.00 63.27 ? 350 ASN B O 1 ATOM 6910 C CB . ASN B 1 350 ? 2.086 -16.052 -20.359 1.00 63.15 ? 350 ASN B CB 1 ATOM 6911 C CG . ASN B 1 350 ? 3.579 -15.910 -20.588 1.00 102.28 ? 350 ASN B CG 1 ATOM 6912 O OD1 . ASN B 1 350 ? 4.134 -14.802 -20.638 1.00 88.68 ? 350 ASN B OD1 1 ATOM 6913 N ND2 . ASN B 1 350 ? 4.237 -17.075 -20.686 1.00 112.96 ? 350 ASN B ND2 1 ATOM 6914 N N . GLU B 1 351 ? 1.291 -13.271 -19.221 1.00 61.57 ? 351 GLU B N 1 ATOM 6915 C CA A GLU B 1 351 ? 1.492 -11.962 -18.590 0.50 59.47 ? 351 GLU B CA 1 ATOM 6916 C CA B GLU B 1 351 ? 1.470 -11.915 -18.707 0.50 59.42 ? 351 GLU B CA 1 ATOM 6917 C C . GLU B 1 351 ? 2.947 -11.457 -18.662 1.00 62.06 ? 351 GLU B C 1 ATOM 6918 O O . GLU B 1 351 ? 3.209 -10.290 -18.328 1.00 60.57 ? 351 GLU B O 1 ATOM 6919 C CB A GLU B 1 351 ? 1.018 -11.992 -17.126 0.50 62.25 ? 351 GLU B CB 1 ATOM 6920 C CB B GLU B 1 351 ? 0.755 -11.720 -17.363 0.50 62.01 ? 351 GLU B CB 1 ATOM 6921 C CG A GLU B 1 351 ? -0.478 -12.173 -16.947 0.50 71.79 ? 351 GLU B CG 1 ATOM 6922 C CG B GLU B 1 351 ? -0.713 -11.352 -17.534 0.50 71.83 ? 351 GLU B CG 1 ATOM 6923 C CD A GLU B 1 351 ? -0.908 -12.138 -15.496 0.50 83.79 ? 351 GLU B CD 1 ATOM 6924 C CD B GLU B 1 351 ? -0.990 -9.959 -18.075 0.50 87.63 ? 351 GLU B CD 1 ATOM 6925 O OE1 A GLU B 1 351 ? -1.335 -11.056 -15.033 0.50 71.95 ? 351 GLU B OE1 1 ATOM 6926 O OE1 B GLU B 1 351 ? -1.004 -9.002 -17.269 0.50 80.68 ? 351 GLU B OE1 1 ATOM 6927 O OE2 A GLU B 1 351 ? -0.785 -13.179 -14.811 0.50 77.22 ? 351 GLU B OE2 1 ATOM 6928 O OE2 B GLU B 1 351 ? -1.197 -9.822 -19.303 0.50 79.02 ? 351 GLU B OE2 1 ATOM 6929 N N . SER B 1 352 ? 3.899 -12.346 -19.052 1.00 58.93 ? 352 SER B N 1 ATOM 6930 C CA . SER B 1 352 ? 5.339 -12.076 -19.195 1.00 57.53 ? 352 SER B CA 1 ATOM 6931 C C . SER B 1 352 ? 5.984 -11.486 -17.949 1.00 62.83 ? 352 SER B C 1 ATOM 6932 O O . SER B 1 352 ? 6.811 -10.573 -18.042 1.00 61.04 ? 352 SER B O 1 ATOM 6933 C CB . SER B 1 352 ? 5.602 -11.203 -20.425 1.00 55.01 ? 352 SER B CB 1 ATOM 6934 O OG . SER B 1 352 ? 5.208 -11.882 -21.604 1.00 57.48 ? 352 SER B OG 1 ATOM 6935 N N . LEU B 1 353 ? 5.617 -12.029 -16.781 1.00 62.30 ? 353 LEU B N 1 ATOM 6936 C CA . LEU B 1 353 ? 6.190 -11.627 -15.508 1.00 63.38 ? 353 LEU B CA 1 ATOM 6937 C C . LEU B 1 353 ? 7.593 -12.225 -15.459 1.00 70.54 ? 353 LEU B C 1 ATOM 6938 O O . LEU B 1 353 ? 7.759 -13.436 -15.570 1.00 73.36 ? 353 LEU B O 1 ATOM 6939 C CB . LEU B 1 353 ? 5.305 -12.092 -14.333 1.00 65.10 ? 353 LEU B CB 1 ATOM 6940 C CG . LEU B 1 353 ? 3.844 -11.577 -14.323 1.00 68.77 ? 353 LEU B CG 1 ATOM 6941 C CD1 . LEU B 1 353 ? 3.147 -11.976 -13.052 1.00 70.84 ? 353 LEU B CD1 1 ATOM 6942 C CD2 . LEU B 1 353 ? 3.753 -10.045 -14.523 1.00 66.04 ? 353 LEU B CD2 1 ATOM 6943 N N . ILE B 1 354 ? 8.602 -11.361 -15.396 1.00 66.03 ? 354 ILE B N 1 ATOM 6944 C CA . ILE B 1 354 ? 9.997 -11.781 -15.465 1.00 65.68 ? 354 ILE B CA 1 ATOM 6945 C C . ILE B 1 354 ? 10.755 -11.602 -14.155 1.00 71.34 ? 354 ILE B C 1 ATOM 6946 O O . ILE B 1 354 ? 10.371 -10.801 -13.302 1.00 70.71 ? 354 ILE B O 1 ATOM 6947 C CB . ILE B 1 354 ? 10.719 -11.071 -16.650 1.00 65.28 ? 354 ILE B CB 1 ATOM 6948 C CG1 . ILE B 1 354 ? 10.718 -9.522 -16.496 1.00 62.51 ? 354 ILE B CG1 1 ATOM 6949 C CG2 . ILE B 1 354 ? 10.134 -11.522 -17.989 1.00 64.24 ? 354 ILE B CG2 1 ATOM 6950 C CD1 . ILE B 1 354 ? 11.862 -8.792 -17.220 1.00 60.58 ? 354 ILE B CD1 1 ATOM 6951 N N . SER B 1 355 ? 11.857 -12.347 -14.027 1.00 69.70 ? 355 SER B N 1 ATOM 6952 C CA . SER B 1 355 ? 12.752 -12.284 -12.882 1.00 70.46 ? 355 SER B CA 1 ATOM 6953 C C . SER B 1 355 ? 13.765 -11.158 -13.102 1.00 72.18 ? 355 SER B C 1 ATOM 6954 O O . SER B 1 355 ? 13.885 -10.625 -14.219 1.00 70.04 ? 355 SER B O 1 ATOM 6955 C CB . SER B 1 355 ? 13.489 -13.612 -12.726 1.00 76.63 ? 355 SER B CB 1 ATOM 6956 O OG . SER B 1 355 ? 14.430 -13.790 -13.775 1.00 86.75 ? 355 SER B OG 1 ATOM 6957 N N . ARG B 1 356 ? 14.526 -10.838 -12.047 1.00 68.69 ? 356 ARG B N 1 ATOM 6958 C CA . ARG B 1 356 ? 15.586 -9.846 -12.089 1.00 67.52 ? 356 ARG B CA 1 ATOM 6959 C C . ARG B 1 356 ? 16.682 -10.282 -13.084 1.00 70.94 ? 356 ARG B C 1 ATOM 6960 O O . ARG B 1 356 ? 17.154 -9.457 -13.872 1.00 68.76 ? 356 ARG B O 1 ATOM 6961 C CB . ARG B 1 356 ? 16.149 -9.629 -10.687 1.00 68.94 ? 356 ARG B CB 1 ATOM 6962 C CG . ARG B 1 356 ? 17.179 -8.531 -10.645 1.00 77.24 ? 356 ARG B CG 1 ATOM 6963 C CD . ARG B 1 356 ? 17.019 -7.621 -9.446 1.00 82.45 ? 356 ARG B CD 1 ATOM 6964 N NE . ARG B 1 356 ? 17.930 -6.492 -9.581 1.00 84.41 ? 356 ARG B NE 1 ATOM 6965 C CZ . ARG B 1 356 ? 17.614 -5.341 -10.159 1.00 89.43 ? 356 ARG B CZ 1 ATOM 6966 N NH1 . ARG B 1 356 ? 16.383 -5.131 -10.607 1.00 73.33 ? 356 ARG B NH1 1 ATOM 6967 N NH2 . ARG B 1 356 ? 18.517 -4.380 -10.268 1.00 75.31 ? 356 ARG B NH2 1 ATOM 6968 N N . ALA B 1 357 ? 17.039 -11.583 -13.080 1.00 68.46 ? 357 ALA B N 1 ATOM 6969 C CA . ALA B 1 357 ? 18.037 -12.158 -13.984 1.00 67.78 ? 357 ALA B CA 1 ATOM 6970 C C . ALA B 1 357 ? 17.606 -11.968 -15.432 1.00 67.74 ? 357 ALA B C 1 ATOM 6971 O O . ALA B 1 357 ? 18.418 -11.529 -16.253 1.00 66.30 ? 357 ALA B O 1 ATOM 6972 C CB . ALA B 1 357 ? 18.251 -13.639 -13.668 1.00 70.94 ? 357 ALA B CB 1 ATOM 6973 N N . GLN B 1 358 ? 16.302 -12.206 -15.722 1.00 62.83 ? 358 GLN B N 1 ATOM 6974 C CA . GLN B 1 358 ? 15.718 -12.036 -17.060 1.00 60.29 ? 358 GLN B CA 1 ATOM 6975 C C . GLN B 1 358 ? 15.720 -10.569 -17.478 1.00 61.66 ? 358 GLN B C 1 ATOM 6976 O O . GLN B 1 358 ? 15.882 -10.278 -18.662 1.00 58.96 ? 358 GLN B O 1 ATOM 6977 C CB . GLN B 1 358 ? 14.308 -12.631 -17.135 1.00 61.90 ? 358 GLN B CB 1 ATOM 6978 C CG . GLN B 1 358 ? 14.284 -14.158 -17.090 1.00 70.42 ? 358 GLN B CG 1 ATOM 6979 C CD . GLN B 1 358 ? 12.886 -14.721 -17.076 1.00 81.34 ? 358 GLN B CD 1 ATOM 6980 O OE1 . GLN B 1 358 ? 12.041 -14.329 -16.269 1.00 75.31 ? 358 GLN B OE1 1 ATOM 6981 N NE2 . GLN B 1 358 ? 12.630 -15.700 -17.932 1.00 75.88 ? 358 GLN B NE2 1 ATOM 6982 N N . PHE B 1 359 ? 15.580 -9.639 -16.502 1.00 58.23 ? 359 PHE B N 1 ATOM 6983 C CA . PHE B 1 359 ? 15.640 -8.201 -16.769 1.00 55.54 ? 359 PHE B CA 1 ATOM 6984 C C . PHE B 1 359 ? 17.073 -7.787 -17.160 1.00 59.41 ? 359 PHE B C 1 ATOM 6985 O O . PHE B 1 359 ? 17.226 -7.039 -18.119 1.00 56.68 ? 359 PHE B O 1 ATOM 6986 C CB . PHE B 1 359 ? 15.120 -7.398 -15.557 1.00 56.33 ? 359 PHE B CB 1 ATOM 6987 C CG . PHE B 1 359 ? 15.259 -5.898 -15.669 1.00 55.01 ? 359 PHE B CG 1 ATOM 6988 C CD1 . PHE B 1 359 ? 14.612 -5.194 -16.678 1.00 55.31 ? 359 PHE B CD1 1 ATOM 6989 C CD2 . PHE B 1 359 ? 16.000 -5.181 -14.736 1.00 56.30 ? 359 PHE B CD2 1 ATOM 6990 C CE1 . PHE B 1 359 ? 14.731 -3.799 -16.769 1.00 54.53 ? 359 PHE B CE1 1 ATOM 6991 C CE2 . PHE B 1 359 ? 16.103 -3.790 -14.820 1.00 56.57 ? 359 PHE B CE2 1 ATOM 6992 C CZ . PHE B 1 359 ? 15.472 -3.109 -15.840 1.00 53.17 ? 359 PHE B CZ 1 ATOM 6993 N N . LEU B 1 360 ? 18.112 -8.293 -16.434 1.00 59.70 ? 360 LEU B N 1 ATOM 6994 C CA . LEU B 1 360 ? 19.536 -8.005 -16.707 1.00 60.71 ? 360 LEU B CA 1 ATOM 6995 C C . LEU B 1 360 ? 19.922 -8.507 -18.107 1.00 63.01 ? 360 LEU B C 1 ATOM 6996 O O . LEU B 1 360 ? 20.612 -7.797 -18.844 1.00 61.00 ? 360 LEU B O 1 ATOM 6997 C CB . LEU B 1 360 ? 20.489 -8.644 -15.655 1.00 63.81 ? 360 LEU B CB 1 ATOM 6998 C CG . LEU B 1 360 ? 20.241 -8.390 -14.154 1.00 72.13 ? 360 LEU B CG 1 ATOM 6999 C CD1 . LEU B 1 360 ? 21.031 -9.369 -13.282 1.00 75.86 ? 360 LEU B CD1 1 ATOM 7000 C CD2 . LEU B 1 360 ? 20.600 -6.992 -13.741 1.00 75.71 ? 360 LEU B CD2 1 ATOM 7001 N N . ALA B 1 361 ? 19.475 -9.735 -18.459 1.00 59.86 ? 361 ALA B N 1 ATOM 7002 C CA . ALA B 1 361 ? 19.721 -10.365 -19.762 1.00 59.30 ? 361 ALA B CA 1 ATOM 7003 C C . ALA B 1 361 ? 18.995 -9.616 -20.876 1.00 58.42 ? 361 ALA B C 1 ATOM 7004 O O . ALA B 1 361 ? 19.563 -9.431 -21.950 1.00 58.69 ? 361 ALA B O 1 ATOM 7005 C CB . ALA B 1 361 ? 19.299 -11.831 -19.729 1.00 62.14 ? 361 ALA B CB 1 ATOM 7006 N N . GLY B 1 362 ? 17.776 -9.149 -20.588 1.00 52.03 ? 362 GLY B N 1 ATOM 7007 C CA . GLY B 1 362 ? 16.958 -8.369 -21.507 1.00 49.59 ? 362 GLY B CA 1 ATOM 7008 C C . GLY B 1 362 ? 17.593 -7.036 -21.848 1.00 52.52 ? 362 GLY B C 1 ATOM 7009 O O . GLY B 1 362 ? 17.548 -6.605 -23.001 1.00 51.90 ? 362 GLY B O 1 ATOM 7010 N N . VAL B 1 363 ? 18.201 -6.370 -20.836 1.00 50.40 ? 363 VAL B N 1 ATOM 7011 C CA . VAL B 1 363 ? 18.899 -5.089 -21.021 1.00 48.01 ? 363 VAL B CA 1 ATOM 7012 C C . VAL B 1 363 ? 20.088 -5.252 -21.997 1.00 51.55 ? 363 VAL B C 1 ATOM 7013 O O . VAL B 1 363 ? 20.317 -4.364 -22.813 1.00 49.03 ? 363 VAL B O 1 ATOM 7014 C CB . VAL B 1 363 ? 19.286 -4.430 -19.665 1.00 51.71 ? 363 VAL B CB 1 ATOM 7015 C CG1 . VAL B 1 363 ? 20.300 -3.303 -19.853 1.00 51.01 ? 363 VAL B CG1 1 ATOM 7016 C CG2 . VAL B 1 363 ? 18.045 -3.918 -18.927 1.00 50.51 ? 363 VAL B CG2 1 ATOM 7017 N N . ARG B 1 364 ? 20.814 -6.392 -21.933 1.00 50.30 ? 364 ARG B N 1 ATOM 7018 C CA . ARG B 1 364 ? 21.939 -6.679 -22.833 1.00 51.02 ? 364 ARG B CA 1 ATOM 7019 C C . ARG B 1 364 ? 21.481 -6.822 -24.285 1.00 55.45 ? 364 ARG B C 1 ATOM 7020 O O . ARG B 1 364 ? 22.192 -6.395 -25.195 1.00 55.25 ? 364 ARG B O 1 ATOM 7021 C CB . ARG B 1 364 ? 22.725 -7.933 -22.399 1.00 51.79 ? 364 ARG B CB 1 ATOM 7022 C CG . ARG B 1 364 ? 23.362 -7.901 -20.992 1.00 63.91 ? 364 ARG B CG 1 ATOM 7023 C CD . ARG B 1 364 ? 23.913 -6.553 -20.537 1.00 72.13 ? 364 ARG B CD 1 ATOM 7024 N NE . ARG B 1 364 ? 25.034 -6.050 -21.340 1.00 69.87 ? 364 ARG B NE 1 ATOM 7025 C CZ . ARG B 1 364 ? 26.316 -6.144 -20.990 1.00 80.58 ? 364 ARG B CZ 1 ATOM 7026 N NH1 . ARG B 1 364 ? 26.664 -6.765 -19.866 1.00 69.07 ? 364 ARG B NH1 1 ATOM 7027 N NH2 . ARG B 1 364 ? 27.260 -5.631 -21.766 1.00 64.32 ? 364 ARG B NH2 1 ATOM 7028 N N . ILE B 1 365 ? 20.288 -7.406 -24.496 1.00 52.20 ? 365 ILE B N 1 ATOM 7029 C CA . ILE B 1 365 ? 19.683 -7.595 -25.824 1.00 50.29 ? 365 ILE B CA 1 ATOM 7030 C C . ILE B 1 365 ? 19.082 -6.257 -26.326 1.00 52.70 ? 365 ILE B C 1 ATOM 7031 O O . ILE B 1 365 ? 19.206 -5.926 -27.513 1.00 49.15 ? 365 ILE B O 1 ATOM 7032 C CB . ILE B 1 365 ? 18.638 -8.755 -25.790 1.00 53.39 ? 365 ILE B CB 1 ATOM 7033 C CG1 . ILE B 1 365 ? 19.297 -10.089 -25.383 1.00 55.13 ? 365 ILE B CG1 1 ATOM 7034 C CG2 . ILE B 1 365 ? 17.897 -8.911 -27.140 1.00 52.21 ? 365 ILE B CG2 1 ATOM 7035 C CD1 . ILE B 1 365 ? 18.323 -11.115 -24.818 1.00 62.11 ? 365 ILE B CD1 1 ATOM 7036 N N . GLY B 1 366 ? 18.440 -5.519 -25.410 1.00 50.34 ? 366 GLY B N 1 ATOM 7037 C CA . GLY B 1 366 ? 17.783 -4.247 -25.708 1.00 48.25 ? 366 GLY B CA 1 ATOM 7038 C C . GLY B 1 366 ? 18.727 -3.079 -25.909 1.00 50.96 ? 366 GLY B C 1 ATOM 7039 O O . GLY B 1 366 ? 18.378 -2.111 -26.581 1.00 49.98 ? 366 GLY B O 1 ATOM 7040 N N . VAL B 1 367 ? 19.913 -3.120 -25.281 1.00 46.73 ? 367 VAL B N 1 ATOM 7041 C CA . VAL B 1 367 ? 20.928 -2.060 -25.435 1.00 45.12 ? 367 VAL B CA 1 ATOM 7042 C C . VAL B 1 367 ? 22.192 -2.820 -25.847 1.00 49.02 ? 367 VAL B C 1 ATOM 7043 O O . VAL B 1 367 ? 23.083 -3.008 -25.032 1.00 48.21 ? 367 VAL B O 1 ATOM 7044 C CB . VAL B 1 367 ? 21.107 -1.181 -24.155 1.00 47.92 ? 367 VAL B CB 1 ATOM 7045 C CG1 . VAL B 1 367 ? 21.785 0.137 -24.513 1.00 46.47 ? 367 VAL B CG1 1 ATOM 7046 C CG2 . VAL B 1 367 ? 19.764 -0.917 -23.471 1.00 46.35 ? 367 VAL B CG2 1 ATOM 7047 N N . PRO B 1 368 ? 22.237 -3.362 -27.099 1.00 46.80 ? 368 PRO B N 1 ATOM 7048 C CA . PRO B 1 368 ? 23.353 -4.263 -27.475 1.00 47.36 ? 368 PRO B CA 1 ATOM 7049 C C . PRO B 1 368 ? 24.723 -3.612 -27.594 1.00 52.82 ? 368 PRO B C 1 ATOM 7050 O O . PRO B 1 368 ? 25.726 -4.305 -27.481 1.00 53.63 ? 368 PRO B O 1 ATOM 7051 C CB . PRO B 1 368 ? 22.882 -4.876 -28.797 1.00 48.00 ? 368 PRO B CB 1 ATOM 7052 C CG . PRO B 1 368 ? 21.930 -3.885 -29.352 1.00 50.50 ? 368 PRO B CG 1 ATOM 7053 C CD . PRO B 1 368 ? 21.238 -3.266 -28.188 1.00 46.16 ? 368 PRO B CD 1 ATOM 7054 N N . GLN B 1 369 ? 24.764 -2.291 -27.798 1.00 50.65 ? 369 GLN B N 1 ATOM 7055 C CA . GLN B 1 369 ? 26.008 -1.527 -27.884 1.00 52.28 ? 369 GLN B CA 1 ATOM 7056 C C . GLN B 1 369 ? 26.564 -1.213 -26.495 1.00 59.12 ? 369 GLN B C 1 ATOM 7057 O O . GLN B 1 369 ? 27.732 -0.827 -26.386 1.00 62.07 ? 369 GLN B O 1 ATOM 7058 C CB . GLN B 1 369 ? 25.779 -0.221 -28.677 1.00 53.22 ? 369 GLN B CB 1 ATOM 7059 C CG . GLN B 1 369 ? 24.960 0.854 -27.923 1.00 76.35 ? 369 GLN B CG 1 ATOM 7060 C CD . GLN B 1 369 ? 23.473 0.780 -28.183 1.00 84.22 ? 369 GLN B CD 1 ATOM 7061 O OE1 . GLN B 1 369 ? 22.811 -0.252 -27.981 1.00 61.63 ? 369 GLN B OE1 1 ATOM 7062 N NE2 . GLN B 1 369 ? 22.923 1.894 -28.644 1.00 88.85 ? 369 GLN B NE2 1 ATOM 7063 N N . ALA B 1 370 ? 25.738 -1.363 -25.430 1.00 54.37 ? 370 ALA B N 1 ATOM 7064 C CA . ALA B 1 370 ? 26.156 -1.040 -24.059 1.00 53.86 ? 370 ALA B CA 1 ATOM 7065 C C . ALA B 1 370 ? 27.236 -1.951 -23.526 1.00 60.14 ? 370 ALA B C 1 ATOM 7066 O O . ALA B 1 370 ? 27.135 -3.174 -23.642 1.00 60.89 ? 370 ALA B O 1 ATOM 7067 C CB . ALA B 1 370 ? 24.960 -1.056 -23.110 1.00 53.76 ? 370 ALA B CB 1 ATOM 7068 N N . SER B 1 371 ? 28.256 -1.332 -22.890 1.00 57.14 ? 371 SER B N 1 ATOM 7069 C CA . SER B 1 371 ? 29.340 -1.986 -22.181 1.00 59.24 ? 371 SER B CA 1 ATOM 7070 C C . SER B 1 371 ? 28.728 -2.527 -20.880 1.00 63.52 ? 371 SER B C 1 ATOM 7071 O O . SER B 1 371 ? 27.565 -2.236 -20.582 1.00 61.73 ? 371 SER B O 1 ATOM 7072 C CB . SER B 1 371 ? 30.430 -0.969 -21.839 1.00 63.44 ? 371 SER B CB 1 ATOM 7073 O OG . SER B 1 371 ? 29.948 0.081 -21.012 1.00 69.16 ? 371 SER B OG 1 ATOM 7074 N N . ASP B 1 372 ? 29.497 -3.288 -20.106 1.00 61.94 ? 372 ASP B N 1 ATOM 7075 C CA . ASP B 1 372 ? 29.031 -3.819 -18.829 1.00 63.09 ? 372 ASP B CA 1 ATOM 7076 C C . ASP B 1 372 ? 28.614 -2.709 -17.878 1.00 66.00 ? 372 ASP B C 1 ATOM 7077 O O . ASP B 1 372 ? 27.572 -2.834 -17.235 1.00 65.93 ? 372 ASP B O 1 ATOM 7078 C CB . ASP B 1 372 ? 30.099 -4.717 -18.187 1.00 67.54 ? 372 ASP B CB 1 ATOM 7079 C CG . ASP B 1 372 ? 30.253 -6.067 -18.863 1.00 81.02 ? 372 ASP B CG 1 ATOM 7080 O OD1 . ASP B 1 372 ? 29.823 -6.203 -20.025 1.00 81.48 ? 372 ASP B OD1 1 ATOM 7081 O OD2 . ASP B 1 372 ? 30.808 -6.985 -18.231 1.00 92.05 ? 372 ASP B OD2 1 ATOM 7082 N N . LEU B 1 373 ? 29.395 -1.609 -17.824 1.00 61.00 ? 373 LEU B N 1 ATOM 7083 C CA . LEU B 1 373 ? 29.106 -0.464 -16.963 1.00 59.22 ? 373 LEU B CA 1 ATOM 7084 C C . LEU B 1 373 ? 27.863 0.315 -17.408 1.00 58.36 ? 373 LEU B C 1 ATOM 7085 O O . LEU B 1 373 ? 27.056 0.691 -16.553 1.00 57.59 ? 373 LEU B O 1 ATOM 7086 C CB . LEU B 1 373 ? 30.338 0.451 -16.810 1.00 59.70 ? 373 LEU B CB 1 ATOM 7087 C CG . LEU B 1 373 ? 30.217 1.656 -15.867 1.00 62.44 ? 373 LEU B CG 1 ATOM 7088 C CD1 . LEU B 1 373 ? 30.082 1.218 -14.408 1.00 64.11 ? 373 LEU B CD1 1 ATOM 7089 C CD2 . LEU B 1 373 ? 31.404 2.571 -16.040 1.00 64.01 ? 373 LEU B CD2 1 ATOM 7090 N N . ALA B 1 374 ? 27.700 0.535 -18.726 1.00 53.75 ? 374 ALA B N 1 ATOM 7091 C CA . ALA B 1 374 ? 26.532 1.210 -19.291 1.00 51.59 ? 374 ALA B CA 1 ATOM 7092 C C . ALA B 1 374 ? 25.262 0.399 -19.029 1.00 54.45 ? 374 ALA B C 1 ATOM 7093 O O . ALA B 1 374 ? 24.236 0.989 -18.700 1.00 52.78 ? 374 ALA B O 1 ATOM 7094 C CB . ALA B 1 374 ? 26.708 1.444 -20.793 1.00 51.72 ? 374 ALA B CB 1 ATOM 7095 N N . ALA B 1 375 ? 25.331 -0.942 -19.164 1.00 52.66 ? 375 ALA B N 1 ATOM 7096 C CA . ALA B 1 375 ? 24.187 -1.832 -18.937 1.00 53.39 ? 375 ALA B CA 1 ATOM 7097 C C . ALA B 1 375 ? 23.804 -1.818 -17.462 1.00 54.95 ? 375 ALA B C 1 ATOM 7098 O O . ALA B 1 375 ? 22.617 -1.883 -17.138 1.00 54.38 ? 375 ALA B O 1 ATOM 7099 C CB . ALA B 1 375 ? 24.502 -3.241 -19.399 1.00 55.79 ? 375 ALA B CB 1 ATOM 7100 N N . GLU B 1 376 ? 24.802 -1.694 -16.577 1.00 52.52 ? 376 GLU B N 1 ATOM 7101 C CA A GLU B 1 376 ? 24.593 -1.609 -15.129 0.50 52.64 ? 376 GLU B CA 1 ATOM 7102 C CA B GLU B 1 376 ? 24.548 -1.619 -15.140 0.50 52.48 ? 376 GLU B CA 1 ATOM 7103 C C . GLU B 1 376 ? 23.881 -0.288 -14.803 1.00 54.36 ? 376 GLU B C 1 ATOM 7104 O O . GLU B 1 376 ? 22.941 -0.273 -14.014 1.00 53.47 ? 376 GLU B O 1 ATOM 7105 C CB A GLU B 1 376 ? 25.929 -1.738 -14.371 0.50 55.80 ? 376 GLU B CB 1 ATOM 7106 C CB B GLU B 1 376 ? 25.824 -1.858 -14.316 0.50 55.62 ? 376 GLU B CB 1 ATOM 7107 C CG A GLU B 1 376 ? 26.385 -3.184 -14.215 0.50 68.04 ? 376 GLU B CG 1 ATOM 7108 C CG B GLU B 1 376 ? 25.566 -2.154 -12.840 0.50 65.03 ? 376 GLU B CG 1 ATOM 7109 C CD A GLU B 1 376 ? 27.785 -3.446 -13.685 0.50 88.59 ? 376 GLU B CD 1 ATOM 7110 C CD B GLU B 1 376 ? 24.743 -3.372 -12.444 0.50 79.67 ? 376 GLU B CD 1 ATOM 7111 O OE1 A GLU B 1 376 ? 28.646 -2.538 -13.760 0.50 81.68 ? 376 GLU B OE1 1 ATOM 7112 O OE1 B GLU B 1 376 ? 24.604 -4.317 -13.258 0.50 71.76 ? 376 GLU B OE1 1 ATOM 7113 O OE2 A GLU B 1 376 ? 28.034 -4.588 -13.237 0.50 83.84 ? 376 GLU B OE2 1 ATOM 7114 O OE2 B GLU B 1 376 ? 24.264 -3.392 -11.288 0.50 71.44 ? 376 GLU B OE2 1 ATOM 7115 N N . ALA B 1 377 ? 24.305 0.816 -15.455 1.00 49.78 ? 377 ALA B N 1 ATOM 7116 C CA . ALA B 1 377 ? 23.695 2.137 -15.259 1.00 48.60 ? 377 ALA B CA 1 ATOM 7117 C C . ALA B 1 377 ? 22.199 2.097 -15.652 1.00 49.41 ? 377 ALA B C 1 ATOM 7118 O O . ALA B 1 377 ? 21.375 2.670 -14.936 1.00 48.34 ? 377 ALA B O 1 ATOM 7119 C CB . ALA B 1 377 ? 24.419 3.189 -16.087 1.00 48.52 ? 377 ALA B CB 1 ATOM 7120 N N . VAL B 1 378 ? 21.856 1.392 -16.765 1.00 44.67 ? 378 VAL B N 1 ATOM 7121 C CA . VAL B 1 378 ? 20.481 1.231 -17.274 1.00 41.87 ? 378 VAL B CA 1 ATOM 7122 C C . VAL B 1 378 ? 19.650 0.471 -16.216 1.00 47.07 ? 378 VAL B C 1 ATOM 7123 O O . VAL B 1 378 ? 18.596 0.950 -15.811 1.00 47.54 ? 378 VAL B O 1 ATOM 7124 C CB . VAL B 1 378 ? 20.420 0.534 -18.670 1.00 43.27 ? 378 VAL B CB 1 ATOM 7125 C CG1 . VAL B 1 378 ? 18.977 0.205 -19.057 1.00 41.67 ? 378 VAL B CG1 1 ATOM 7126 C CG2 . VAL B 1 378 ? 21.065 1.398 -19.753 1.00 41.42 ? 378 VAL B CG2 1 ATOM 7127 N N . VAL B 1 379 ? 20.136 -0.694 -15.781 1.00 44.54 ? 379 VAL B N 1 ATOM 7128 C CA . VAL B 1 379 ? 19.497 -1.543 -14.764 1.00 46.45 ? 379 VAL B CA 1 ATOM 7129 C C . VAL B 1 379 ? 19.250 -0.751 -13.464 1.00 53.28 ? 379 VAL B C 1 ATOM 7130 O O . VAL B 1 379 ? 18.155 -0.813 -12.909 1.00 53.18 ? 379 VAL B O 1 ATOM 7131 C CB . VAL B 1 379 ? 20.320 -2.846 -14.515 1.00 51.07 ? 379 VAL B CB 1 ATOM 7132 C CG1 . VAL B 1 379 ? 19.954 -3.511 -13.192 1.00 51.72 ? 379 VAL B CG1 1 ATOM 7133 C CG2 . VAL B 1 379 ? 20.156 -3.823 -15.671 1.00 50.72 ? 379 VAL B CG2 1 ATOM 7134 N N . LEU B 1 380 ? 20.241 0.013 -13.007 1.00 52.05 ? 380 LEU B N 1 ATOM 7135 C CA . LEU B 1 380 ? 20.098 0.769 -11.771 1.00 53.12 ? 380 LEU B CA 1 ATOM 7136 C C . LEU B 1 380 ? 19.116 1.944 -11.900 1.00 54.84 ? 380 LEU B C 1 ATOM 7137 O O . LEU B 1 380 ? 18.368 2.217 -10.965 1.00 56.17 ? 380 LEU B O 1 ATOM 7138 C CB . LEU B 1 380 ? 21.462 1.199 -11.221 1.00 54.64 ? 380 LEU B CB 1 ATOM 7139 C CG . LEU B 1 380 ? 22.453 0.052 -10.899 1.00 62.37 ? 380 LEU B CG 1 ATOM 7140 C CD1 . LEU B 1 380 ? 23.841 0.585 -10.637 1.00 63.38 ? 380 LEU B CD1 1 ATOM 7141 C CD2 . LEU B 1 380 ? 22.024 -0.754 -9.677 1.00 68.06 ? 380 LEU B CD2 1 ATOM 7142 N N . HIS B 1 381 ? 19.056 2.570 -13.067 1.00 48.89 ? 381 HIS B N 1 ATOM 7143 C CA . HIS B 1 381 ? 18.122 3.657 -13.329 1.00 46.73 ? 381 HIS B CA 1 ATOM 7144 C C . HIS B 1 381 ? 16.665 3.162 -13.426 1.00 50.25 ? 381 HIS B C 1 ATOM 7145 O O . HIS B 1 381 ? 15.761 3.828 -12.922 1.00 50.39 ? 381 HIS B O 1 ATOM 7146 C CB . HIS B 1 381 ? 18.507 4.381 -14.630 1.00 45.01 ? 381 HIS B CB 1 ATOM 7147 C CG . HIS B 1 381 ? 17.629 5.547 -14.947 1.00 46.49 ? 381 HIS B CG 1 ATOM 7148 N ND1 . HIS B 1 381 ? 17.872 6.801 -14.403 1.00 48.00 ? 381 HIS B ND1 1 ATOM 7149 C CD2 . HIS B 1 381 ? 16.520 5.607 -15.721 1.00 46.08 ? 381 HIS B CD2 1 ATOM 7150 C CE1 . HIS B 1 381 ? 16.906 7.578 -14.867 1.00 46.00 ? 381 HIS B CE1 1 ATOM 7151 N NE2 . HIS B 1 381 ? 16.067 6.899 -15.662 1.00 45.32 ? 381 HIS B NE2 1 ATOM 7152 N N . TYR B 1 382 ? 16.444 2.012 -14.083 1.00 44.36 ? 382 TYR B N 1 ATOM 7153 C CA . TYR B 1 382 ? 15.109 1.475 -14.343 1.00 43.63 ? 382 TYR B CA 1 ATOM 7154 C C . TYR B 1 382 ? 14.544 0.588 -13.258 1.00 50.31 ? 382 TYR B C 1 ATOM 7155 O O . TYR B 1 382 ? 13.326 0.400 -13.223 1.00 50.89 ? 382 TYR B O 1 ATOM 7156 C CB . TYR B 1 382 ? 15.066 0.762 -15.690 1.00 42.80 ? 382 TYR B CB 1 ATOM 7157 C CG . TYR B 1 382 ? 14.934 1.748 -16.821 1.00 42.11 ? 382 TYR B CG 1 ATOM 7158 C CD1 . TYR B 1 382 ? 16.060 2.340 -17.388 1.00 42.61 ? 382 TYR B CD1 1 ATOM 7159 C CD2 . TYR B 1 382 ? 13.683 2.110 -17.315 1.00 41.17 ? 382 TYR B CD2 1 ATOM 7160 C CE1 . TYR B 1 382 ? 15.944 3.239 -18.439 1.00 40.87 ? 382 TYR B CE1 1 ATOM 7161 C CE2 . TYR B 1 382 ? 13.555 3.019 -18.352 1.00 40.01 ? 382 TYR B CE2 1 ATOM 7162 C CZ . TYR B 1 382 ? 14.690 3.571 -18.919 1.00 45.16 ? 382 TYR B CZ 1 ATOM 7163 O OH . TYR B 1 382 ? 14.574 4.451 -19.949 1.00 42.47 ? 382 TYR B OH 1 ATOM 7164 N N . THR B 1 383 ? 15.392 0.073 -12.361 1.00 48.39 ? 383 THR B N 1 ATOM 7165 C CA . THR B 1 383 ? 14.913 -0.689 -11.226 1.00 49.37 ? 383 THR B CA 1 ATOM 7166 C C . THR B 1 383 ? 14.151 0.254 -10.297 1.00 54.19 ? 383 THR B C 1 ATOM 7167 O O . THR B 1 383 ? 14.575 1.390 -10.067 1.00 52.66 ? 383 THR B O 1 ATOM 7168 C CB . THR B 1 383 ? 16.095 -1.341 -10.478 1.00 55.48 ? 383 THR B CB 1 ATOM 7169 O OG1 . THR B 1 383 ? 16.675 -2.311 -11.346 1.00 55.50 ? 383 THR B OG1 1 ATOM 7170 C CG2 . THR B 1 383 ? 15.680 -2.020 -9.158 1.00 49.54 ? 383 THR B CG2 1 ATOM 7171 N N . ASP B 1 384 ? 13.012 -0.220 -9.795 1.00 52.70 ? 384 ASP B N 1 ATOM 7172 C CA . ASP B 1 384 ? 12.234 0.442 -8.770 1.00 53.26 ? 384 ASP B CA 1 ATOM 7173 C C . ASP B 1 384 ? 12.844 -0.144 -7.491 1.00 57.73 ? 384 ASP B C 1 ATOM 7174 O O . ASP B 1 384 ? 12.620 -1.318 -7.180 1.00 57.28 ? 384 ASP B O 1 ATOM 7175 C CB . ASP B 1 384 ? 10.745 0.079 -8.884 1.00 55.30 ? 384 ASP B CB 1 ATOM 7176 C CG . ASP B 1 384 ? 9.867 0.757 -7.836 1.00 70.24 ? 384 ASP B CG 1 ATOM 7177 O OD1 . ASP B 1 384 ? 10.418 1.343 -6.878 1.00 71.76 ? 384 ASP B OD1 1 ATOM 7178 O OD2 . ASP B 1 384 ? 8.639 0.687 -7.964 1.00 80.26 ? 384 ASP B OD2 1 ATOM 7179 N N . TRP B 1 385 ? 13.651 0.652 -6.784 1.00 54.08 ? 385 TRP B N 1 ATOM 7180 C CA . TRP B 1 385 ? 14.371 0.190 -5.602 1.00 55.77 ? 385 TRP B CA 1 ATOM 7181 C C . TRP B 1 385 ? 13.453 -0.069 -4.387 1.00 64.56 ? 385 TRP B C 1 ATOM 7182 O O . TRP B 1 385 ? 13.894 -0.698 -3.428 1.00 66.18 ? 385 TRP B O 1 ATOM 7183 C CB . TRP B 1 385 ? 15.561 1.117 -5.300 1.00 53.11 ? 385 TRP B CB 1 ATOM 7184 C CG . TRP B 1 385 ? 16.599 0.954 -6.380 1.00 52.04 ? 385 TRP B CG 1 ATOM 7185 C CD1 . TRP B 1 385 ? 16.786 1.759 -7.466 1.00 52.67 ? 385 TRP B CD1 1 ATOM 7186 C CD2 . TRP B 1 385 ? 17.412 -0.208 -6.600 1.00 52.62 ? 385 TRP B CD2 1 ATOM 7187 N NE1 . TRP B 1 385 ? 17.732 1.211 -8.306 1.00 51.04 ? 385 TRP B NE1 1 ATOM 7188 C CE2 . TRP B 1 385 ? 18.153 0.016 -7.784 1.00 54.39 ? 385 TRP B CE2 1 ATOM 7189 C CE3 . TRP B 1 385 ? 17.631 -1.394 -5.876 1.00 55.96 ? 385 TRP B CE3 1 ATOM 7190 C CZ2 . TRP B 1 385 ? 19.046 -0.929 -8.296 1.00 54.95 ? 385 TRP B CZ2 1 ATOM 7191 C CZ3 . TRP B 1 385 ? 18.518 -2.330 -6.385 1.00 58.31 ? 385 TRP B CZ3 1 ATOM 7192 C CH2 . TRP B 1 385 ? 19.213 -2.095 -7.582 1.00 57.95 ? 385 TRP B CH2 1 ATOM 7193 N N . LEU B 1 386 ? 12.156 0.274 -4.491 1.00 63.87 ? 386 LEU B N 1 ATOM 7194 C CA . LEU B 1 386 ? 11.159 -0.066 -3.467 1.00 66.63 ? 386 LEU B CA 1 ATOM 7195 C C . LEU B 1 386 ? 10.634 -1.492 -3.738 1.00 71.86 ? 386 LEU B C 1 ATOM 7196 O O . LEU B 1 386 ? 10.242 -2.186 -2.812 1.00 74.50 ? 386 LEU B O 1 ATOM 7197 C CB . LEU B 1 386 ? 9.977 0.906 -3.504 1.00 66.56 ? 386 LEU B CB 1 ATOM 7198 C CG . LEU B 1 386 ? 9.756 1.812 -2.301 1.00 73.66 ? 386 LEU B CG 1 ATOM 7199 C CD1 . LEU B 1 386 ? 8.407 2.499 -2.409 1.00 74.54 ? 386 LEU B CD1 1 ATOM 7200 C CD2 . LEU B 1 386 ? 9.851 1.041 -0.960 1.00 77.75 ? 386 LEU B CD2 1 ATOM 7201 N N . HIS B 1 387 ? 10.587 -1.907 -5.015 1.00 67.28 ? 387 HIS B N 1 ATOM 7202 C CA . HIS B 1 387 ? 10.110 -3.236 -5.419 1.00 67.63 ? 387 HIS B CA 1 ATOM 7203 C C . HIS B 1 387 ? 11.132 -3.798 -6.428 1.00 68.90 ? 387 HIS B C 1 ATOM 7204 O O . HIS B 1 387 ? 10.792 -3.934 -7.600 1.00 67.46 ? 387 HIS B O 1 ATOM 7205 C CB . HIS B 1 387 ? 8.693 -3.112 -6.031 1.00 67.63 ? 387 HIS B CB 1 ATOM 7206 C CG . HIS B 1 387 ? 7.728 -2.316 -5.187 1.00 71.24 ? 387 HIS B CG 1 ATOM 7207 N ND1 . HIS B 1 387 ? 7.412 -0.997 -5.492 1.00 71.13 ? 387 HIS B ND1 1 ATOM 7208 C CD2 . HIS B 1 387 ? 7.084 -2.661 -4.048 1.00 74.74 ? 387 HIS B CD2 1 ATOM 7209 C CE1 . HIS B 1 387 ? 6.568 -0.602 -4.554 1.00 71.32 ? 387 HIS B CE1 1 ATOM 7210 N NE2 . HIS B 1 387 ? 6.341 -1.566 -3.663 1.00 73.89 ? 387 HIS B NE2 1 ATOM 7211 N N . PRO B 1 388 ? 12.413 -4.060 -6.027 1.00 64.89 ? 388 PRO B N 1 ATOM 7212 C CA . PRO B 1 388 ? 13.427 -4.456 -7.032 1.00 63.47 ? 388 PRO B CA 1 ATOM 7213 C C . PRO B 1 388 ? 13.265 -5.824 -7.685 1.00 66.43 ? 388 PRO B C 1 ATOM 7214 O O . PRO B 1 388 ? 13.863 -6.065 -8.726 1.00 64.15 ? 388 PRO B O 1 ATOM 7215 C CB . PRO B 1 388 ? 14.746 -4.376 -6.253 1.00 66.03 ? 388 PRO B CB 1 ATOM 7216 C CG . PRO B 1 388 ? 14.355 -4.574 -4.816 1.00 71.60 ? 388 PRO B CG 1 ATOM 7217 C CD . PRO B 1 388 ? 13.019 -3.930 -4.677 1.00 66.77 ? 388 PRO B CD 1 ATOM 7218 N N . GLU B 1 389 ? 12.491 -6.717 -7.073 1.00 65.56 ? 389 GLU B N 1 ATOM 7219 C CA . GLU B 1 389 ? 12.278 -8.086 -7.571 1.00 66.06 ? 389 GLU B CA 1 ATOM 7220 C C . GLU B 1 389 ? 10.850 -8.309 -8.062 1.00 67.72 ? 389 GLU B C 1 ATOM 7221 O O . GLU B 1 389 ? 10.539 -9.415 -8.501 1.00 69.25 ? 389 GLU B O 1 ATOM 7222 C CB . GLU B 1 389 ? 12.633 -9.120 -6.478 1.00 70.46 ? 389 GLU B CB 1 ATOM 7223 C CG . GLU B 1 389 ? 14.014 -8.927 -5.868 1.00 84.45 ? 389 GLU B CG 1 ATOM 7224 C CD . GLU B 1 389 ? 14.948 -10.113 -6.014 1.00 114.15 ? 389 GLU B CD 1 ATOM 7225 O OE1 . GLU B 1 389 ? 15.340 -10.435 -7.160 1.00 102.54 ? 389 GLU B OE1 1 ATOM 7226 O OE2 . GLU B 1 389 ? 15.306 -10.708 -4.971 1.00 116.37 ? 389 GLU B OE2 1 ATOM 7227 N N . ASP B 1 390 ? 9.984 -7.270 -8.007 1.00 62.60 ? 390 ASP B N 1 ATOM 7228 C CA . ASP B 1 390 ? 8.598 -7.382 -8.454 1.00 62.72 ? 390 ASP B CA 1 ATOM 7229 C C . ASP B 1 390 ? 8.532 -7.684 -9.968 1.00 66.25 ? 390 ASP B C 1 ATOM 7230 O O . ASP B 1 390 ? 8.977 -6.871 -10.776 1.00 63.22 ? 390 ASP B O 1 ATOM 7231 C CB . ASP B 1 390 ? 7.774 -6.147 -8.077 1.00 63.61 ? 390 ASP B CB 1 ATOM 7232 C CG . ASP B 1 390 ? 6.342 -6.270 -8.520 1.00 74.18 ? 390 ASP B CG 1 ATOM 7233 O OD1 . ASP B 1 390 ? 5.577 -6.991 -7.850 1.00 79.42 ? 390 ASP B OD1 1 ATOM 7234 O OD2 . ASP B 1 390 ? 6.018 -5.753 -9.596 1.00 73.36 ? 390 ASP B OD2 1 ATOM 7235 N N . PRO B 1 391 ? 7.986 -8.863 -10.348 1.00 64.56 ? 391 PRO B N 1 ATOM 7236 C CA . PRO B 1 391 ? 7.950 -9.245 -11.765 1.00 63.05 ? 391 PRO B CA 1 ATOM 7237 C C . PRO B 1 391 ? 7.190 -8.322 -12.714 1.00 64.42 ? 391 PRO B C 1 ATOM 7238 O O . PRO B 1 391 ? 7.605 -8.204 -13.858 1.00 62.42 ? 391 PRO B O 1 ATOM 7239 C CB . PRO B 1 391 ? 7.326 -10.641 -11.733 1.00 66.92 ? 391 PRO B CB 1 ATOM 7240 C CG . PRO B 1 391 ? 7.526 -11.133 -10.363 1.00 72.96 ? 391 PRO B CG 1 ATOM 7241 C CD . PRO B 1 391 ? 7.430 -9.936 -9.497 1.00 68.02 ? 391 PRO B CD 1 ATOM 7242 N N . THR B 1 392 ? 6.092 -7.683 -12.262 1.00 61.03 ? 392 THR B N 1 ATOM 7243 C CA . THR B 1 392 ? 5.311 -6.737 -13.076 1.00 59.08 ? 392 THR B CA 1 ATOM 7244 C C . THR B 1 392 ? 6.149 -5.487 -13.327 1.00 61.04 ? 392 THR B C 1 ATOM 7245 O O . THR B 1 392 ? 6.159 -4.990 -14.445 1.00 58.69 ? 392 THR B O 1 ATOM 7246 C CB . THR B 1 392 ? 3.958 -6.386 -12.386 1.00 65.85 ? 392 THR B CB 1 ATOM 7247 O OG1 . THR B 1 392 ? 3.229 -7.595 -12.150 1.00 72.60 ? 392 THR B OG1 1 ATOM 7248 C CG2 . THR B 1 392 ? 3.099 -5.418 -13.215 1.00 59.85 ? 392 THR B CG2 1 ATOM 7249 N N . HIS B 1 393 ? 6.846 -4.970 -12.282 1.00 59.46 ? 393 HIS B N 1 ATOM 7250 C CA . HIS B 1 393 ? 7.689 -3.773 -12.397 1.00 57.83 ? 393 HIS B CA 1 ATOM 7251 C C . HIS B 1 393 ? 8.832 -4.033 -13.386 1.00 56.41 ? 393 HIS B C 1 ATOM 7252 O O . HIS B 1 393 ? 9.092 -3.193 -14.244 1.00 52.69 ? 393 HIS B O 1 ATOM 7253 C CB . HIS B 1 393 ? 8.262 -3.371 -11.029 1.00 60.30 ? 393 HIS B CB 1 ATOM 7254 C CG . HIS B 1 393 ? 7.374 -2.499 -10.198 1.00 65.19 ? 393 HIS B CG 1 ATOM 7255 N ND1 . HIS B 1 393 ? 6.605 -3.024 -9.163 1.00 69.49 ? 393 HIS B ND1 1 ATOM 7256 C CD2 . HIS B 1 393 ? 7.255 -1.150 -10.183 1.00 66.33 ? 393 HIS B CD2 1 ATOM 7257 C CE1 . HIS B 1 393 ? 6.029 -1.985 -8.573 1.00 68.57 ? 393 HIS B CE1 1 ATOM 7258 N NE2 . HIS B 1 393 ? 6.383 -0.837 -9.153 1.00 67.15 ? 393 HIS B NE2 1 ATOM 7259 N N . LEU B 1 394 ? 9.492 -5.206 -13.273 1.00 53.12 ? 394 LEU B N 1 ATOM 7260 C CA . LEU B 1 394 ? 10.606 -5.622 -14.147 1.00 52.85 ? 394 LEU B CA 1 ATOM 7261 C C . LEU B 1 394 ? 10.193 -5.758 -15.625 1.00 57.12 ? 394 LEU B C 1 ATOM 7262 O O . LEU B 1 394 ? 10.913 -5.295 -16.524 1.00 55.78 ? 394 LEU B O 1 ATOM 7263 C CB . LEU B 1 394 ? 11.261 -6.911 -13.609 1.00 54.72 ? 394 LEU B CB 1 ATOM 7264 C CG . LEU B 1 394 ? 11.958 -6.764 -12.253 1.00 61.06 ? 394 LEU B CG 1 ATOM 7265 C CD1 . LEU B 1 394 ? 12.254 -8.116 -11.630 1.00 64.34 ? 394 LEU B CD1 1 ATOM 7266 C CD2 . LEU B 1 394 ? 13.216 -5.907 -12.355 1.00 61.70 ? 394 LEU B CD2 1 ATOM 7267 N N . ARG B 1 395 ? 9.004 -6.343 -15.859 1.00 53.89 ? 395 ARG B N 1 ATOM 7268 C CA . ARG B 1 395 ? 8.408 -6.488 -17.184 1.00 52.63 ? 395 ARG B CA 1 ATOM 7269 C C . ARG B 1 395 ? 8.201 -5.092 -17.817 1.00 54.20 ? 395 ARG B C 1 ATOM 7270 O O . ARG B 1 395 ? 8.658 -4.855 -18.929 1.00 53.85 ? 395 ARG B O 1 ATOM 7271 C CB . ARG B 1 395 ? 7.073 -7.256 -17.076 1.00 53.14 ? 395 ARG B CB 1 ATOM 7272 C CG . ARG B 1 395 ? 6.360 -7.446 -18.427 1.00 60.49 ? 395 ARG B CG 1 ATOM 7273 C CD . ARG B 1 395 ? 5.064 -6.681 -18.420 1.00 64.08 ? 395 ARG B CD 1 ATOM 7274 N NE . ARG B 1 395 ? 3.970 -7.519 -17.963 1.00 66.23 ? 395 ARG B NE 1 ATOM 7275 C CZ . ARG B 1 395 ? 2.897 -7.088 -17.314 1.00 71.15 ? 395 ARG B CZ 1 ATOM 7276 N NH1 . ARG B 1 395 ? 2.760 -5.801 -17.025 1.00 51.58 ? 395 ARG B NH1 1 ATOM 7277 N NH2 . ARG B 1 395 ? 1.942 -7.937 -16.964 1.00 69.21 ? 395 ARG B NH2 1 ATOM 7278 N N . ASP B 1 396 ? 7.551 -4.177 -17.081 1.00 50.48 ? 396 ASP B N 1 ATOM 7279 C CA . ASP B 1 396 ? 7.265 -2.809 -17.500 1.00 48.91 ? 396 ASP B CA 1 ATOM 7280 C C . ASP B 1 396 ? 8.543 -1.959 -17.661 1.00 50.71 ? 396 ASP B C 1 ATOM 7281 O O . ASP B 1 396 ? 8.607 -1.138 -18.573 1.00 48.66 ? 396 ASP B O 1 ATOM 7282 C CB . ASP B 1 396 ? 6.272 -2.147 -16.525 1.00 51.52 ? 396 ASP B CB 1 ATOM 7283 C CG . ASP B 1 396 ? 4.896 -2.798 -16.507 1.00 65.37 ? 396 ASP B CG 1 ATOM 7284 O OD1 . ASP B 1 396 ? 4.583 -3.557 -17.450 1.00 66.76 ? 396 ASP B OD1 1 ATOM 7285 O OD2 . ASP B 1 396 ? 4.136 -2.548 -15.553 1.00 71.55 ? 396 ASP B OD2 1 ATOM 7286 N N . ALA B 1 397 ? 9.560 -2.180 -16.804 1.00 47.07 ? 397 ALA B N 1 ATOM 7287 C CA . ALA B 1 397 ? 10.844 -1.476 -16.902 1.00 45.94 ? 397 ALA B CA 1 ATOM 7288 C C . ALA B 1 397 ? 11.570 -1.929 -18.181 1.00 49.10 ? 397 ALA B C 1 ATOM 7289 O O . ALA B 1 397 ? 12.159 -1.102 -18.867 1.00 48.39 ? 397 ALA B O 1 ATOM 7290 C CB . ALA B 1 397 ? 11.708 -1.769 -15.676 1.00 47.43 ? 397 ALA B CB 1 ATOM 7291 N N . MET B 1 398 ? 11.498 -3.235 -18.515 1.00 45.92 ? 398 MET B N 1 ATOM 7292 C CA . MET B 1 398 ? 12.117 -3.780 -19.727 1.00 45.24 ? 398 MET B CA 1 ATOM 7293 C C . MET B 1 398 ? 11.513 -3.125 -20.976 1.00 48.42 ? 398 MET B C 1 ATOM 7294 O O . MET B 1 398 ? 12.249 -2.735 -21.888 1.00 46.94 ? 398 MET B O 1 ATOM 7295 C CB . MET B 1 398 ? 11.965 -5.317 -19.784 1.00 48.89 ? 398 MET B CB 1 ATOM 7296 C CG . MET B 1 398 ? 12.804 -5.977 -20.865 1.00 52.11 ? 398 MET B CG 1 ATOM 7297 S SD . MET B 1 398 ? 14.577 -5.778 -20.610 1.00 56.17 ? 398 MET B SD 1 ATOM 7298 C CE . MET B 1 398 ? 14.971 -4.670 -21.943 1.00 50.83 ? 398 MET B CE 1 ATOM 7299 N N . SER B 1 399 ? 10.181 -2.974 -20.988 1.00 45.40 ? 399 SER B N 1 ATOM 7300 C CA . SER B 1 399 ? 9.455 -2.353 -22.088 1.00 44.86 ? 399 SER B CA 1 ATOM 7301 C C . SER B 1 399 ? 9.858 -0.894 -22.212 1.00 47.83 ? 399 SER B C 1 ATOM 7302 O O . SER B 1 399 ? 10.123 -0.433 -23.326 1.00 46.18 ? 399 SER B O 1 ATOM 7303 C CB . SER B 1 399 ? 7.953 -2.490 -21.880 1.00 48.97 ? 399 SER B CB 1 ATOM 7304 O OG . SER B 1 399 ? 7.266 -1.829 -22.923 1.00 55.94 ? 399 SER B OG 1 ATOM 7305 N N . ALA B 1 400 ? 9.959 -0.188 -21.061 1.00 43.30 ? 400 ALA B N 1 ATOM 7306 C CA . ALA B 1 400 ? 10.370 1.212 -21.001 1.00 40.32 ? 400 ALA B CA 1 ATOM 7307 C C . ALA B 1 400 ? 11.805 1.400 -21.478 1.00 43.88 ? 400 ALA B C 1 ATOM 7308 O O . ALA B 1 400 ? 12.047 2.316 -22.249 1.00 43.76 ? 400 ALA B O 1 ATOM 7309 C CB . ALA B 1 400 ? 10.184 1.766 -19.601 1.00 40.48 ? 400 ALA B CB 1 ATOM 7310 N N . VAL B 1 401 ? 12.748 0.527 -21.081 1.00 40.67 ? 401 VAL B N 1 ATOM 7311 C CA . VAL B 1 401 ? 14.142 0.594 -21.565 1.00 40.20 ? 401 VAL B CA 1 ATOM 7312 C C . VAL B 1 401 ? 14.182 0.640 -23.126 1.00 43.71 ? 401 VAL B C 1 ATOM 7313 O O . VAL B 1 401 ? 14.805 1.529 -23.707 1.00 41.33 ? 401 VAL B O 1 ATOM 7314 C CB . VAL B 1 401 ? 15.003 -0.597 -21.035 1.00 44.03 ? 401 VAL B CB 1 ATOM 7315 C CG1 . VAL B 1 401 ? 16.307 -0.741 -21.827 1.00 43.18 ? 401 VAL B CG1 1 ATOM 7316 C CG2 . VAL B 1 401 ? 15.288 -0.456 -19.542 1.00 44.10 ? 401 VAL B CG2 1 ATOM 7317 N N . VAL B 1 402 ? 13.530 -0.324 -23.775 1.00 42.88 ? 402 VAL B N 1 ATOM 7318 C CA . VAL B 1 402 ? 13.491 -0.476 -25.236 1.00 41.08 ? 402 VAL B CA 1 ATOM 7319 C C . VAL B 1 402 ? 12.825 0.733 -25.908 1.00 43.70 ? 402 VAL B C 1 ATOM 7320 O O . VAL B 1 402 ? 13.399 1.304 -26.836 1.00 41.21 ? 402 VAL B O 1 ATOM 7321 C CB . VAL B 1 402 ? 12.847 -1.841 -25.627 1.00 44.93 ? 402 VAL B CB 1 ATOM 7322 C CG1 . VAL B 1 402 ? 12.700 -1.990 -27.153 1.00 43.13 ? 402 VAL B CG1 1 ATOM 7323 C CG2 . VAL B 1 402 ? 13.655 -2.996 -25.048 1.00 45.74 ? 402 VAL B CG2 1 ATOM 7324 N N . GLY B 1 403 ? 11.645 1.122 -25.428 1.00 42.00 ? 403 GLY B N 1 ATOM 7325 C CA . GLY B 1 403 ? 10.908 2.257 -25.988 1.00 40.66 ? 403 GLY B CA 1 ATOM 7326 C C . GLY B 1 403 ? 11.598 3.598 -25.810 1.00 43.15 ? 403 GLY B C 1 ATOM 7327 O O . GLY B 1 403 ? 11.566 4.433 -26.722 1.00 42.18 ? 403 GLY B O 1 ATOM 7328 N N . ASP B 1 404 ? 12.211 3.825 -24.617 1.00 38.63 ? 404 ASP B N 1 ATOM 7329 C CA . ASP B 1 404 ? 12.936 5.067 -24.334 1.00 36.90 ? 404 ASP B CA 1 ATOM 7330 C C . ASP B 1 404 ? 14.206 5.173 -25.137 1.00 38.50 ? 404 ASP B C 1 ATOM 7331 O O . ASP B 1 404 ? 14.455 6.216 -25.704 1.00 35.59 ? 404 ASP B O 1 ATOM 7332 C CB . ASP B 1 404 ? 13.269 5.190 -22.844 1.00 38.82 ? 404 ASP B CB 1 ATOM 7333 C CG . ASP B 1 404 ? 12.043 5.316 -21.957 1.00 45.81 ? 404 ASP B CG 1 ATOM 7334 O OD1 . ASP B 1 404 ? 10.938 5.565 -22.499 1.00 44.12 ? 404 ASP B OD1 1 ATOM 7335 O OD2 . ASP B 1 404 ? 12.178 5.125 -20.728 1.00 42.51 ? 404 ASP B OD2 1 ATOM 7336 N N . HIS B 1 405 ? 15.040 4.121 -25.135 1.00 36.83 ? 405 HIS B N 1 ATOM 7337 C CA . HIS B 1 405 ? 16.320 4.100 -25.836 1.00 36.13 ? 405 HIS B CA 1 ATOM 7338 C C . HIS B 1 405 ? 16.150 4.275 -27.365 1.00 41.63 ? 405 HIS B C 1 ATOM 7339 O O . HIS B 1 405 ? 16.897 5.024 -27.990 1.00 41.08 ? 405 HIS B O 1 ATOM 7340 C CB . HIS B 1 405 ? 17.029 2.780 -25.513 1.00 37.07 ? 405 HIS B CB 1 ATOM 7341 C CG . HIS B 1 405 ? 18.251 2.463 -26.328 1.00 40.28 ? 405 HIS B CG 1 ATOM 7342 N ND1 . HIS B 1 405 ? 19.335 3.331 -26.387 1.00 41.70 ? 405 HIS B ND1 1 ATOM 7343 C CD2 . HIS B 1 405 ? 18.555 1.338 -27.024 1.00 42.16 ? 405 HIS B CD2 1 ATOM 7344 C CE1 . HIS B 1 405 ? 20.243 2.722 -27.130 1.00 41.41 ? 405 HIS B CE1 1 ATOM 7345 N NE2 . HIS B 1 405 ? 19.819 1.521 -27.537 1.00 42.31 ? 405 HIS B NE2 1 ATOM 7346 N N . ASN B 1 406 ? 15.181 3.575 -27.956 1.00 37.84 ? 406 ASN B N 1 ATOM 7347 C CA . ASN B 1 406 ? 15.006 3.573 -29.402 1.00 36.77 ? 406 ASN B CA 1 ATOM 7348 C C . ASN B 1 406 ? 14.110 4.647 -29.954 1.00 39.92 ? 406 ASN B C 1 ATOM 7349 O O . ASN B 1 406 ? 14.303 5.045 -31.106 1.00 39.62 ? 406 ASN B O 1 ATOM 7350 C CB . ASN B 1 406 ? 14.513 2.211 -29.846 1.00 34.21 ? 406 ASN B CB 1 ATOM 7351 C CG . ASN B 1 406 ? 15.549 1.135 -29.644 1.00 41.31 ? 406 ASN B CG 1 ATOM 7352 O OD1 . ASN B 1 406 ? 16.588 1.143 -30.279 1.00 39.88 ? 406 ASN B OD1 1 ATOM 7353 N ND2 . ASN B 1 406 ? 15.306 0.204 -28.737 1.00 38.77 ? 406 ASN B ND2 1 ATOM 7354 N N . VAL B 1 407 ? 13.097 5.078 -29.188 1.00 35.78 ? 407 VAL B N 1 ATOM 7355 C CA . VAL B 1 407 ? 12.119 6.022 -29.718 1.00 34.72 ? 407 VAL B CA 1 ATOM 7356 C C . VAL B 1 407 ? 11.910 7.284 -28.864 1.00 38.47 ? 407 VAL B C 1 ATOM 7357 O O . VAL B 1 407 ? 12.105 8.383 -29.381 1.00 37.97 ? 407 VAL B O 1 ATOM 7358 C CB . VAL B 1 407 ? 10.745 5.330 -30.010 1.00 37.37 ? 407 VAL B CB 1 ATOM 7359 C CG1 . VAL B 1 407 ? 9.747 6.335 -30.582 1.00 36.50 ? 407 VAL B CG1 1 ATOM 7360 C CG2 . VAL B 1 407 ? 10.897 4.147 -30.963 1.00 36.62 ? 407 VAL B CG2 1 ATOM 7361 N N . VAL B 1 408 ? 11.447 7.142 -27.606 1.00 34.42 ? 408 VAL B N 1 ATOM 7362 C CA . VAL B 1 408 ? 11.081 8.310 -26.781 1.00 33.84 ? 408 VAL B CA 1 ATOM 7363 C C . VAL B 1 408 ? 12.229 9.299 -26.614 1.00 37.84 ? 408 VAL B C 1 ATOM 7364 O O . VAL B 1 408 ? 12.026 10.483 -26.882 1.00 38.74 ? 408 VAL B O 1 ATOM 7365 C CB . VAL B 1 408 ? 10.422 7.960 -25.410 1.00 37.89 ? 408 VAL B CB 1 ATOM 7366 C CG1 . VAL B 1 408 ? 9.933 9.231 -24.703 1.00 37.16 ? 408 VAL B CG1 1 ATOM 7367 C CG2 . VAL B 1 408 ? 9.253 6.986 -25.598 1.00 37.47 ? 408 VAL B CG2 1 ATOM 7368 N N . CYS B 1 409 ? 13.425 8.839 -26.243 1.00 34.31 ? 409 CYS B N 1 ATOM 7369 C CA . CYS B 1 409 ? 14.520 9.779 -26.011 1.00 35.45 ? 409 CYS B CA 1 ATOM 7370 C C . CYS B 1 409 ? 15.147 10.311 -27.317 1.00 37.85 ? 409 CYS B C 1 ATOM 7371 O O . CYS B 1 409 ? 15.234 11.530 -27.408 1.00 37.07 ? 409 CYS B O 1 ATOM 7372 C CB . CYS B 1 409 ? 15.524 9.224 -25.014 1.00 37.48 ? 409 CYS B CB 1 ATOM 7373 S SG . CYS B 1 409 ? 14.758 8.901 -23.400 1.00 42.53 ? 409 CYS B SG 1 ATOM 7374 N N . PRO B 1 410 ? 15.312 9.538 -28.416 1.00 34.78 ? 410 PRO B N 1 ATOM 7375 C CA . PRO B 1 410 ? 15.681 10.170 -29.705 1.00 34.69 ? 410 PRO B CA 1 ATOM 7376 C C . PRO B 1 410 ? 14.647 11.236 -30.168 1.00 37.73 ? 410 PRO B C 1 ATOM 7377 O O . PRO B 1 410 ? 15.042 12.259 -30.737 1.00 37.86 ? 410 PRO B O 1 ATOM 7378 C CB . PRO B 1 410 ? 15.723 8.965 -30.666 1.00 35.84 ? 410 PRO B CB 1 ATOM 7379 C CG . PRO B 1 410 ? 16.164 7.822 -29.772 1.00 39.24 ? 410 PRO B CG 1 ATOM 7380 C CD . PRO B 1 410 ? 15.329 8.061 -28.534 1.00 35.33 ? 410 PRO B CD 1 ATOM 7381 N N . VAL B 1 411 ? 13.333 11.012 -29.924 1.00 34.75 ? 411 VAL B N 1 ATOM 7382 C CA . VAL B 1 411 ? 12.254 11.976 -30.259 1.00 34.76 ? 411 VAL B CA 1 ATOM 7383 C C . VAL B 1 411 ? 12.425 13.257 -29.412 1.00 39.15 ? 411 VAL B C 1 ATOM 7384 O O . VAL B 1 411 ? 12.343 14.359 -29.966 1.00 37.19 ? 411 VAL B O 1 ATOM 7385 C CB . VAL B 1 411 ? 10.793 11.395 -30.148 1.00 36.84 ? 411 VAL B CB 1 ATOM 7386 C CG1 . VAL B 1 411 ? 9.738 12.502 -30.142 1.00 36.36 ? 411 VAL B CG1 1 ATOM 7387 C CG2 . VAL B 1 411 ? 10.490 10.395 -31.257 1.00 35.33 ? 411 VAL B CG2 1 ATOM 7388 N N . ALA B 1 412 ? 12.681 13.117 -28.084 1.00 36.09 ? 412 ALA B N 1 ATOM 7389 C CA . ALA B 1 412 ? 12.876 14.285 -27.202 1.00 35.77 ? 412 ALA B CA 1 ATOM 7390 C C . ALA B 1 412 ? 14.101 15.054 -27.674 1.00 39.46 ? 412 ALA B C 1 ATOM 7391 O O . ALA B 1 412 ? 14.069 16.281 -27.743 1.00 38.52 ? 412 ALA B O 1 ATOM 7392 C CB . ALA B 1 412 ? 13.054 13.843 -25.734 1.00 36.39 ? 412 ALA B CB 1 ATOM 7393 N N . GLN B 1 413 ? 15.169 14.324 -28.058 1.00 37.31 ? 413 GLN B N 1 ATOM 7394 C CA . GLN B 1 413 ? 16.418 14.924 -28.550 1.00 36.01 ? 413 GLN B CA 1 ATOM 7395 C C . GLN B 1 413 ? 16.148 15.731 -29.836 1.00 37.71 ? 413 GLN B C 1 ATOM 7396 O O . GLN B 1 413 ? 16.542 16.894 -29.939 1.00 37.92 ? 413 GLN B O 1 ATOM 7397 C CB . GLN B 1 413 ? 17.481 13.826 -28.782 1.00 36.70 ? 413 GLN B CB 1 ATOM 7398 C CG . GLN B 1 413 ? 18.769 14.383 -29.395 1.00 42.07 ? 413 GLN B CG 1 ATOM 7399 C CD . GLN B 1 413 ? 20.035 13.993 -28.733 1.00 81.23 ? 413 GLN B CD 1 ATOM 7400 O OE1 . GLN B 1 413 ? 20.294 12.816 -28.494 1.00 84.12 ? 413 GLN B OE1 1 ATOM 7401 N NE2 . GLN B 1 413 ? 20.963 14.931 -28.677 1.00 86.08 ? 413 GLN B NE2 1 ATOM 7402 N N . LEU B 1 414 ? 15.443 15.123 -30.790 1.00 34.70 ? 414 LEU B N 1 ATOM 7403 C CA . LEU B 1 414 ? 15.095 15.754 -32.062 1.00 33.60 ? 414 LEU B CA 1 ATOM 7404 C C . LEU B 1 414 ? 14.213 16.988 -31.856 1.00 36.46 ? 414 LEU B C 1 ATOM 7405 O O . LEU B 1 414 ? 14.538 18.063 -32.370 1.00 36.86 ? 414 LEU B O 1 ATOM 7406 C CB . LEU B 1 414 ? 14.427 14.737 -33.020 1.00 33.62 ? 414 LEU B CB 1 ATOM 7407 C CG . LEU B 1 414 ? 14.009 15.302 -34.415 1.00 37.74 ? 414 LEU B CG 1 ATOM 7408 C CD1 . LEU B 1 414 ? 15.235 15.578 -35.294 1.00 36.73 ? 414 LEU B CD1 1 ATOM 7409 C CD2 . LEU B 1 414 ? 13.136 14.327 -35.147 1.00 38.65 ? 414 LEU B CD2 1 ATOM 7410 N N . ALA B 1 415 ? 13.105 16.841 -31.106 1.00 33.02 ? 415 ALA B N 1 ATOM 7411 C CA . ALA B 1 415 ? 12.191 17.951 -30.802 1.00 33.02 ? 415 ALA B CA 1 ATOM 7412 C C . ALA B 1 415 ? 12.960 19.144 -30.219 1.00 39.64 ? 415 ALA B C 1 ATOM 7413 O O . ALA B 1 415 ? 12.768 20.273 -30.678 1.00 40.40 ? 415 ALA B O 1 ATOM 7414 C CB . ALA B 1 415 ? 11.109 17.490 -29.831 1.00 33.51 ? 415 ALA B CB 1 ATOM 7415 N N . GLY B 1 416 ? 13.856 18.881 -29.264 1.00 36.34 ? 416 GLY B N 1 ATOM 7416 C CA . GLY B 1 416 ? 14.672 19.931 -28.650 1.00 35.82 ? 416 GLY B CA 1 ATOM 7417 C C . GLY B 1 416 ? 15.589 20.661 -29.623 1.00 41.30 ? 416 GLY B C 1 ATOM 7418 O O . GLY B 1 416 ? 15.647 21.898 -29.616 1.00 41.21 ? 416 GLY B O 1 ATOM 7419 N N . ARG B 1 417 ? 16.327 19.900 -30.471 1.00 37.71 ? 417 ARG B N 1 ATOM 7420 C CA . ARG B 1 417 ? 17.261 20.467 -31.437 1.00 38.59 ? 417 ARG B CA 1 ATOM 7421 C C . ARG B 1 417 ? 16.523 21.271 -32.508 1.00 44.04 ? 417 ARG B C 1 ATOM 7422 O O . ARG B 1 417 ? 16.946 22.380 -32.825 1.00 44.64 ? 417 ARG B O 1 ATOM 7423 C CB . ARG B 1 417 ? 18.148 19.384 -32.091 1.00 37.37 ? 417 ARG B CB 1 ATOM 7424 C CG . ARG B 1 417 ? 19.093 18.603 -31.149 1.00 50.07 ? 417 ARG B CG 1 ATOM 7425 C CD . ARG B 1 417 ? 19.971 19.428 -30.219 1.00 62.43 ? 417 ARG B CD 1 ATOM 7426 N NE . ARG B 1 417 ? 20.710 20.484 -30.913 1.00 78.92 ? 417 ARG B NE 1 ATOM 7427 C CZ . ARG B 1 417 ? 21.872 20.988 -30.500 1.00 97.28 ? 417 ARG B CZ 1 ATOM 7428 N NH1 . ARG B 1 417 ? 22.457 20.520 -29.402 1.00 87.44 ? 417 ARG B NH1 1 ATOM 7429 N NH2 . ARG B 1 417 ? 22.470 21.944 -31.195 1.00 82.40 ? 417 ARG B NH2 1 ATOM 7430 N N . LEU B 1 418 ? 15.414 20.721 -33.044 1.00 39.29 ? 418 LEU B N 1 ATOM 7431 C CA . LEU B 1 418 ? 14.586 21.407 -34.048 1.00 38.96 ? 418 LEU B CA 1 ATOM 7432 C C . LEU B 1 418 ? 14.041 22.728 -33.526 1.00 43.18 ? 418 LEU B C 1 ATOM 7433 O O . LEU B 1 418 ? 14.177 23.736 -34.217 1.00 44.13 ? 418 LEU B O 1 ATOM 7434 C CB . LEU B 1 418 ? 13.417 20.520 -34.526 1.00 38.13 ? 418 LEU B CB 1 ATOM 7435 C CG . LEU B 1 418 ? 13.717 19.290 -35.386 1.00 40.41 ? 418 LEU B CG 1 ATOM 7436 C CD1 . LEU B 1 418 ? 12.438 18.500 -35.620 1.00 38.05 ? 418 LEU B CD1 1 ATOM 7437 C CD2 . LEU B 1 418 ? 14.366 19.655 -36.693 1.00 46.07 ? 418 LEU B CD2 1 ATOM 7438 N N . ALA B 1 419 ? 13.453 22.729 -32.296 1.00 40.30 ? 419 ALA B N 1 ATOM 7439 C CA . ALA B 1 419 ? 12.896 23.922 -31.649 1.00 41.14 ? 419 ALA B CA 1 ATOM 7440 C C . ALA B 1 419 ? 13.981 24.985 -31.355 1.00 50.01 ? 419 ALA B C 1 ATOM 7441 O O . ALA B 1 419 ? 13.736 26.174 -31.565 1.00 50.88 ? 419 ALA B O 1 ATOM 7442 C CB . ALA B 1 419 ? 12.170 23.535 -30.359 1.00 40.85 ? 419 ALA B CB 1 ATOM 7443 N N . ALA B 1 420 ? 15.181 24.555 -30.898 1.00 47.73 ? 420 ALA B N 1 ATOM 7444 C CA . ALA B 1 420 ? 16.281 25.483 -30.591 1.00 48.46 ? 420 ALA B CA 1 ATOM 7445 C C . ALA B 1 420 ? 16.851 26.105 -31.868 1.00 53.12 ? 420 ALA B C 1 ATOM 7446 O O . ALA B 1 420 ? 17.391 27.211 -31.820 1.00 54.84 ? 420 ALA B O 1 ATOM 7447 C CB . ALA B 1 420 ? 17.387 24.765 -29.827 1.00 48.73 ? 420 ALA B CB 1 ATOM 7448 N N . GLN B 1 421 ? 16.705 25.415 -33.002 1.00 48.58 ? 421 GLN B N 1 ATOM 7449 C CA . GLN B 1 421 ? 17.251 25.871 -34.273 1.00 49.35 ? 421 GLN B CA 1 ATOM 7450 C C . GLN B 1 421 ? 16.214 26.428 -35.258 1.00 52.16 ? 421 GLN B C 1 ATOM 7451 O O . GLN B 1 421 ? 16.412 26.363 -36.477 1.00 51.16 ? 421 GLN B O 1 ATOM 7452 C CB . GLN B 1 421 ? 18.116 24.776 -34.902 1.00 50.59 ? 421 GLN B CB 1 ATOM 7453 C CG . GLN B 1 421 ? 19.508 24.783 -34.242 1.00 63.17 ? 421 GLN B CG 1 ATOM 7454 C CD . GLN B 1 421 ? 20.009 23.414 -33.908 1.00 74.54 ? 421 GLN B CD 1 ATOM 7455 O OE1 . GLN B 1 421 ? 20.136 23.029 -32.744 1.00 70.83 ? 421 GLN B OE1 1 ATOM 7456 N NE2 . GLN B 1 421 ? 20.353 22.668 -34.923 1.00 69.68 ? 421 GLN B NE2 1 ATOM 7457 N N . GLY B 1 422 ? 15.178 27.064 -34.707 1.00 49.69 ? 422 GLY B N 1 ATOM 7458 C CA . GLY B 1 422 ? 14.164 27.787 -35.468 1.00 49.91 ? 422 GLY B CA 1 ATOM 7459 C C . GLY B 1 422 ? 12.906 27.104 -35.952 1.00 52.01 ? 422 GLY B C 1 ATOM 7460 O O . GLY B 1 422 ? 12.042 27.795 -36.485 1.00 53.13 ? 422 GLY B O 1 ATOM 7461 N N . ALA B 1 423 ? 12.774 25.768 -35.805 1.00 46.11 ? 423 ALA B N 1 ATOM 7462 C CA . ALA B 1 423 ? 11.559 25.087 -36.271 1.00 43.83 ? 423 ALA B CA 1 ATOM 7463 C C . ALA B 1 423 ? 10.362 25.316 -35.361 1.00 46.66 ? 423 ALA B C 1 ATOM 7464 O O . ALA B 1 423 ? 10.513 25.539 -34.155 1.00 45.59 ? 423 ALA B O 1 ATOM 7465 C CB . ALA B 1 423 ? 11.805 23.587 -36.427 1.00 42.83 ? 423 ALA B CB 1 ATOM 7466 N N . ARG B 1 424 ? 9.170 25.220 -35.931 1.00 41.89 ? 424 ARG B N 1 ATOM 7467 C CA . ARG B 1 424 ? 7.925 25.258 -35.169 1.00 41.80 ? 424 ARG B CA 1 ATOM 7468 C C . ARG B 1 424 ? 7.638 23.759 -34.930 1.00 41.83 ? 424 ARG B C 1 ATOM 7469 O O . ARG B 1 424 ? 7.528 22.999 -35.892 1.00 40.08 ? 424 ARG B O 1 ATOM 7470 C CB . ARG B 1 424 ? 6.859 25.883 -36.060 1.00 46.88 ? 424 ARG B CB 1 ATOM 7471 C CG . ARG B 1 424 ? 5.538 26.180 -35.419 1.00 65.86 ? 424 ARG B CG 1 ATOM 7472 C CD . ARG B 1 424 ? 4.967 27.334 -36.217 1.00 83.60 ? 424 ARG B CD 1 ATOM 7473 N NE . ARG B 1 424 ? 3.547 27.553 -35.980 1.00 90.65 ? 424 ARG B NE 1 ATOM 7474 C CZ . ARG B 1 424 ? 3.059 28.249 -34.959 1.00 91.61 ? 424 ARG B CZ 1 ATOM 7475 N NH1 . ARG B 1 424 ? 1.750 28.413 -34.827 1.00 89.93 ? 424 ARG B NH1 1 ATOM 7476 N NH2 . ARG B 1 424 ? 3.875 28.766 -34.049 1.00 50.07 ? 424 ARG B NH2 1 ATOM 7477 N N . VAL B 1 425 ? 7.633 23.318 -33.672 1.00 37.35 ? 425 VAL B N 1 ATOM 7478 C CA . VAL B 1 425 ? 7.476 21.898 -33.311 1.00 35.56 ? 425 VAL B CA 1 ATOM 7479 C C . VAL B 1 425 ? 6.238 21.712 -32.465 1.00 38.00 ? 425 VAL B C 1 ATOM 7480 O O . VAL B 1 425 ? 6.018 22.507 -31.580 1.00 36.81 ? 425 VAL B O 1 ATOM 7481 C CB . VAL B 1 425 ? 8.743 21.390 -32.527 1.00 38.70 ? 425 VAL B CB 1 ATOM 7482 C CG1 . VAL B 1 425 ? 8.670 19.894 -32.204 1.00 37.73 ? 425 VAL B CG1 1 ATOM 7483 C CG2 . VAL B 1 425 ? 10.032 21.715 -33.273 1.00 38.13 ? 425 VAL B CG2 1 ATOM 7484 N N . TYR B 1 426 ? 5.448 20.651 -32.711 1.00 36.51 ? 426 TYR B N 1 ATOM 7485 C CA . TYR B 1 426 ? 4.297 20.244 -31.880 1.00 35.78 ? 426 TYR B CA 1 ATOM 7486 C C . TYR B 1 426 ? 4.584 18.808 -31.496 1.00 38.26 ? 426 TYR B C 1 ATOM 7487 O O . TYR B 1 426 ? 4.967 18.017 -32.360 1.00 37.39 ? 426 TYR B O 1 ATOM 7488 C CB . TYR B 1 426 ? 2.965 20.314 -32.653 1.00 35.67 ? 426 TYR B CB 1 ATOM 7489 C CG . TYR B 1 426 ? 2.574 21.731 -32.979 1.00 35.69 ? 426 TYR B CG 1 ATOM 7490 C CD1 . TYR B 1 426 ? 1.856 22.504 -32.069 1.00 36.74 ? 426 TYR B CD1 1 ATOM 7491 C CD2 . TYR B 1 426 ? 2.958 22.319 -34.186 1.00 35.61 ? 426 TYR B CD2 1 ATOM 7492 C CE1 . TYR B 1 426 ? 1.535 23.826 -32.345 1.00 35.95 ? 426 TYR B CE1 1 ATOM 7493 C CE2 . TYR B 1 426 ? 2.636 23.637 -34.475 1.00 36.76 ? 426 TYR B CE2 1 ATOM 7494 C CZ . TYR B 1 426 ? 1.931 24.388 -33.551 1.00 41.41 ? 426 TYR B CZ 1 ATOM 7495 O OH . TYR B 1 426 ? 1.600 25.680 -33.868 1.00 37.97 ? 426 TYR B OH 1 ATOM 7496 N N . ALA B 1 427 ? 4.435 18.469 -30.226 1.00 34.34 ? 427 ALA B N 1 ATOM 7497 C CA . ALA B 1 427 ? 4.724 17.109 -29.782 1.00 33.29 ? 427 ALA B CA 1 ATOM 7498 C C . ALA B 1 427 ? 3.520 16.486 -29.091 1.00 38.41 ? 427 ALA B C 1 ATOM 7499 O O . ALA B 1 427 ? 2.686 17.198 -28.503 1.00 37.59 ? 427 ALA B O 1 ATOM 7500 C CB . ALA B 1 427 ? 5.945 17.106 -28.853 1.00 33.88 ? 427 ALA B CB 1 ATOM 7501 N N . TYR B 1 428 ? 3.430 15.152 -29.151 1.00 34.70 ? 428 TYR B N 1 ATOM 7502 C CA . TYR B 1 428 ? 2.327 14.438 -28.507 1.00 35.34 ? 428 TYR B CA 1 ATOM 7503 C C . TYR B 1 428 ? 2.779 13.102 -27.908 1.00 39.05 ? 428 TYR B C 1 ATOM 7504 O O . TYR B 1 428 ? 3.842 12.575 -28.253 1.00 36.27 ? 428 TYR B O 1 ATOM 7505 C CB . TYR B 1 428 ? 1.154 14.193 -29.508 1.00 36.17 ? 428 TYR B CB 1 ATOM 7506 C CG . TYR B 1 428 ? 1.503 13.206 -30.621 1.00 36.59 ? 428 TYR B CG 1 ATOM 7507 C CD1 . TYR B 1 428 ? 1.451 11.827 -30.403 1.00 37.44 ? 428 TYR B CD1 1 ATOM 7508 C CD2 . TYR B 1 428 ? 1.964 13.652 -31.858 1.00 35.97 ? 428 TYR B CD2 1 ATOM 7509 C CE1 . TYR B 1 428 ? 1.877 10.920 -31.377 1.00 35.72 ? 428 TYR B CE1 1 ATOM 7510 C CE2 . TYR B 1 428 ? 2.362 12.751 -32.854 1.00 36.31 ? 428 TYR B CE2 1 ATOM 7511 C CZ . TYR B 1 428 ? 2.316 11.388 -32.605 1.00 41.18 ? 428 TYR B CZ 1 ATOM 7512 O OH . TYR B 1 428 ? 2.729 10.499 -33.564 1.00 35.95 ? 428 TYR B OH 1 ATOM 7513 N N . ILE B 1 429 ? 1.917 12.535 -27.058 1.00 36.81 ? 429 ILE B N 1 ATOM 7514 C CA . ILE B 1 429 ? 1.995 11.156 -26.588 1.00 37.34 ? 429 ILE B CA 1 ATOM 7515 C C . ILE B 1 429 ? 0.612 10.577 -26.876 1.00 39.91 ? 429 ILE B C 1 ATOM 7516 O O . ILE B 1 429 ? -0.382 11.195 -26.504 1.00 40.43 ? 429 ILE B O 1 ATOM 7517 C CB . ILE B 1 429 ? 2.472 10.926 -25.121 1.00 40.84 ? 429 ILE B CB 1 ATOM 7518 C CG1 . ILE B 1 429 ? 2.552 9.393 -24.824 1.00 42.18 ? 429 ILE B CG1 1 ATOM 7519 C CG2 . ILE B 1 429 ? 1.574 11.657 -24.106 1.00 40.94 ? 429 ILE B CG2 1 ATOM 7520 C CD1 . ILE B 1 429 ? 3.474 8.941 -23.668 1.00 49.76 ? 429 ILE B CD1 1 ATOM 7521 N N . PHE B 1 430 ? 0.547 9.451 -27.584 1.00 37.06 ? 430 PHE B N 1 ATOM 7522 C CA . PHE B 1 430 ? -0.715 8.783 -27.937 1.00 36.33 ? 430 PHE B CA 1 ATOM 7523 C C . PHE B 1 430 ? -0.923 7.658 -26.940 1.00 40.76 ? 430 PHE B C 1 ATOM 7524 O O . PHE B 1 430 ? -0.108 6.736 -26.859 1.00 39.17 ? 430 PHE B O 1 ATOM 7525 C CB . PHE B 1 430 ? -0.670 8.272 -29.381 1.00 36.63 ? 430 PHE B CB 1 ATOM 7526 C CG . PHE B 1 430 ? -1.953 7.638 -29.867 1.00 38.70 ? 430 PHE B CG 1 ATOM 7527 C CD1 . PHE B 1 430 ? -2.220 6.292 -29.630 1.00 41.85 ? 430 PHE B CD1 1 ATOM 7528 C CD2 . PHE B 1 430 ? -2.864 8.368 -30.624 1.00 40.14 ? 430 PHE B CD2 1 ATOM 7529 C CE1 . PHE B 1 430 ? -3.384 5.697 -30.126 1.00 43.57 ? 430 PHE B CE1 1 ATOM 7530 C CE2 . PHE B 1 430 ? -4.013 7.769 -31.131 1.00 43.11 ? 430 PHE B CE2 1 ATOM 7531 C CZ . PHE B 1 430 ? -4.283 6.443 -30.855 1.00 42.05 ? 430 PHE B CZ 1 ATOM 7532 N N . GLU B 1 431 ? -2.013 7.730 -26.174 1.00 39.96 ? 431 GLU B N 1 ATOM 7533 C CA . GLU B 1 431 ? -2.237 6.791 -25.070 1.00 41.67 ? 431 GLU B CA 1 ATOM 7534 C C . GLU B 1 431 ? -3.455 5.935 -25.176 1.00 48.13 ? 431 GLU B C 1 ATOM 7535 O O . GLU B 1 431 ? -3.757 5.213 -24.228 1.00 50.02 ? 431 GLU B O 1 ATOM 7536 C CB . GLU B 1 431 ? -2.301 7.556 -23.731 1.00 42.98 ? 431 GLU B CB 1 ATOM 7537 C CG . GLU B 1 431 ? -1.140 8.489 -23.495 1.00 46.05 ? 431 GLU B CG 1 ATOM 7538 C CD . GLU B 1 431 ? -1.213 9.172 -22.152 1.00 55.95 ? 431 GLU B CD 1 ATOM 7539 O OE1 . GLU B 1 431 ? -2.270 9.760 -21.828 1.00 47.63 ? 431 GLU B OE1 1 ATOM 7540 O OE2 . GLU B 1 431 ? -0.203 9.106 -21.417 1.00 47.77 ? 431 GLU B OE2 1 ATOM 7541 N N . HIS B 1 432 ? -4.184 6.021 -26.283 1.00 45.35 ? 432 HIS B N 1 ATOM 7542 C CA . HIS B 1 432 ? -5.377 5.203 -26.410 1.00 46.56 ? 432 HIS B CA 1 ATOM 7543 C C . HIS B 1 432 ? -5.084 3.821 -27.004 1.00 50.78 ? 432 HIS B C 1 ATOM 7544 O O . HIS B 1 432 ? -4.507 3.719 -28.085 1.00 48.73 ? 432 HIS B O 1 ATOM 7545 C CB . HIS B 1 432 ? -6.487 5.927 -27.192 1.00 47.08 ? 432 HIS B CB 1 ATOM 7546 C CG . HIS B 1 432 ? -7.646 5.031 -27.483 1.00 51.08 ? 432 HIS B CG 1 ATOM 7547 N ND1 . HIS B 1 432 ? -8.509 4.631 -26.484 1.00 54.37 ? 432 HIS B ND1 1 ATOM 7548 C CD2 . HIS B 1 432 ? -7.978 4.389 -28.628 1.00 52.59 ? 432 HIS B CD2 1 ATOM 7549 C CE1 . HIS B 1 432 ? -9.368 3.800 -27.060 1.00 54.45 ? 432 HIS B CE1 1 ATOM 7550 N NE2 . HIS B 1 432 ? -9.091 3.633 -28.348 1.00 53.92 ? 432 HIS B NE2 1 ATOM 7551 N N . ARG B 1 433 ? -5.530 2.765 -26.309 1.00 48.69 ? 433 ARG B N 1 ATOM 7552 C CA . ARG B 1 433 ? -5.396 1.391 -26.768 1.00 48.84 ? 433 ARG B CA 1 ATOM 7553 C C . ARG B 1 433 ? -6.683 1.014 -27.505 1.00 53.20 ? 433 ARG B C 1 ATOM 7554 O O . ARG B 1 433 ? -7.763 1.056 -26.904 1.00 53.87 ? 433 ARG B O 1 ATOM 7555 C CB . ARG B 1 433 ? -5.172 0.438 -25.579 1.00 50.03 ? 433 ARG B CB 1 ATOM 7556 C CG . ARG B 1 433 ? -4.957 -1.013 -26.025 1.00 52.17 ? 433 ARG B CG 1 ATOM 7557 C CD . ARG B 1 433 ? -4.837 -1.943 -24.840 1.00 55.44 ? 433 ARG B CD 1 ATOM 7558 N NE . ARG B 1 433 ? -5.295 -3.292 -25.175 1.00 59.50 ? 433 ARG B NE 1 ATOM 7559 C CZ . ARG B 1 433 ? -4.494 -4.315 -25.442 1.00 67.59 ? 433 ARG B CZ 1 ATOM 7560 N NH1 . ARG B 1 433 ? -3.172 -4.156 -25.429 1.00 52.57 ? 433 ARG B NH1 1 ATOM 7561 N NH2 . ARG B 1 433 ? -5.003 -5.504 -25.720 1.00 53.00 ? 433 ARG B NH2 1 ATOM 7562 N N . ALA B 1 434 ? -6.574 0.674 -28.803 1.00 48.22 ? 434 ALA B N 1 ATOM 7563 C CA . ALA B 1 434 ? -7.708 0.261 -29.630 1.00 48.98 ? 434 ALA B CA 1 ATOM 7564 C C . ALA B 1 434 ? -8.495 -0.872 -28.946 1.00 54.80 ? 434 ALA B C 1 ATOM 7565 O O . ALA B 1 434 ? -7.898 -1.852 -28.482 1.00 52.70 ? 434 ALA B O 1 ATOM 7566 C CB . ALA B 1 434 ? -7.216 -0.190 -31.009 1.00 49.03 ? 434 ALA B CB 1 ATOM 7567 N N . SER B 1 435 ? -9.832 -0.717 -28.861 1.00 54.89 ? 435 SER B N 1 ATOM 7568 C CA . SER B 1 435 ? -10.743 -1.698 -28.249 1.00 57.89 ? 435 SER B CA 1 ATOM 7569 C C . SER B 1 435 ? -10.643 -3.079 -28.906 1.00 65.04 ? 435 SER B C 1 ATOM 7570 O O . SER B 1 435 ? -10.865 -4.094 -28.242 1.00 66.00 ? 435 SER B O 1 ATOM 7571 C CB . SER B 1 435 ? -12.189 -1.205 -28.312 1.00 61.28 ? 435 SER B CB 1 ATOM 7572 O OG . SER B 1 435 ? -12.632 -1.091 -29.655 1.00 67.04 ? 435 SER B OG 1 ATOM 7573 N N . THR B 1 436 ? -10.266 -3.104 -30.195 1.00 63.23 ? 436 THR B N 1 ATOM 7574 C CA . THR B 1 436 ? -10.150 -4.307 -31.033 1.00 64.68 ? 436 THR B CA 1 ATOM 7575 C C . THR B 1 436 ? -8.771 -5.002 -30.979 1.00 67.77 ? 436 THR B C 1 ATOM 7576 O O . THR B 1 436 ? -8.648 -6.099 -31.525 1.00 69.19 ? 436 THR B O 1 ATOM 7577 C CB . THR B 1 436 ? -10.535 -3.968 -32.490 1.00 74.07 ? 436 THR B CB 1 ATOM 7578 O OG1 . THR B 1 436 ? -9.662 -2.939 -32.981 1.00 72.73 ? 436 THR B OG1 1 ATOM 7579 C CG2 . THR B 1 436 ? -12.007 -3.560 -32.638 1.00 74.59 ? 436 THR B CG2 1 ATOM 7580 N N . LEU B 1 437 ? -7.753 -4.381 -30.332 1.00 60.97 ? 437 LEU B N 1 ATOM 7581 C CA . LEU B 1 437 ? -6.380 -4.905 -30.218 1.00 58.74 ? 437 LEU B CA 1 ATOM 7582 C C . LEU B 1 437 ? -6.349 -6.356 -29.753 1.00 61.48 ? 437 LEU B C 1 ATOM 7583 O O . LEU B 1 437 ? -7.032 -6.702 -28.792 1.00 61.80 ? 437 LEU B O 1 ATOM 7584 C CB . LEU B 1 437 ? -5.555 -4.028 -29.261 1.00 57.57 ? 437 LEU B CB 1 ATOM 7585 C CG . LEU B 1 437 ? -4.047 -3.837 -29.503 1.00 60.29 ? 437 LEU B CG 1 ATOM 7586 C CD1 . LEU B 1 437 ? -3.591 -4.354 -30.828 1.00 59.88 ? 437 LEU B CD1 1 ATOM 7587 C CD2 . LEU B 1 437 ? -3.690 -2.393 -29.413 1.00 61.32 ? 437 LEU B CD2 1 ATOM 7588 N N . THR B 1 438 ? -5.573 -7.201 -30.449 1.00 57.43 ? 438 THR B N 1 ATOM 7589 C CA . THR B 1 438 ? -5.491 -8.643 -30.163 1.00 58.92 ? 438 THR B CA 1 ATOM 7590 C C . THR B 1 438 ? -4.217 -9.009 -29.425 1.00 61.22 ? 438 THR B C 1 ATOM 7591 O O . THR B 1 438 ? -4.084 -10.141 -28.952 1.00 62.10 ? 438 THR B O 1 ATOM 7592 C CB . THR B 1 438 ? -5.703 -9.471 -31.438 1.00 67.09 ? 438 THR B CB 1 ATOM 7593 O OG1 . THR B 1 438 ? -4.706 -9.109 -32.405 1.00 66.03 ? 438 THR B OG1 1 ATOM 7594 C CG2 . THR B 1 438 ? -7.096 -9.284 -32.019 1.00 66.04 ? 438 THR B CG2 1 ATOM 7595 N N . TRP B 1 439 ? -3.286 -8.048 -29.304 1.00 56.01 ? 439 TRP B N 1 ATOM 7596 C CA . TRP B 1 439 ? -2.070 -8.231 -28.515 1.00 54.43 ? 439 TRP B CA 1 ATOM 7597 C C . TRP B 1 439 ? -2.519 -8.204 -27.050 1.00 57.83 ? 439 TRP B C 1 ATOM 7598 O O . TRP B 1 439 ? -3.573 -7.622 -26.765 1.00 57.11 ? 439 TRP B O 1 ATOM 7599 C CB . TRP B 1 439 ? -1.060 -7.110 -28.791 1.00 50.23 ? 439 TRP B CB 1 ATOM 7600 C CG . TRP B 1 439 ? -0.406 -7.227 -30.133 1.00 49.69 ? 439 TRP B CG 1 ATOM 7601 C CD1 . TRP B 1 439 ? -0.683 -6.486 -31.242 1.00 50.95 ? 439 TRP B CD1 1 ATOM 7602 C CD2 . TRP B 1 439 ? 0.611 -8.172 -30.523 1.00 49.69 ? 439 TRP B CD2 1 ATOM 7603 N NE1 . TRP B 1 439 ? 0.124 -6.874 -32.282 1.00 49.66 ? 439 TRP B NE1 1 ATOM 7604 C CE2 . TRP B 1 439 ? 0.919 -7.918 -31.874 1.00 52.18 ? 439 TRP B CE2 1 ATOM 7605 C CE3 . TRP B 1 439 ? 1.292 -9.209 -29.860 1.00 51.74 ? 439 TRP B CE3 1 ATOM 7606 C CZ2 . TRP B 1 439 ? 1.889 -8.656 -32.573 1.00 51.38 ? 439 TRP B CZ2 1 ATOM 7607 C CZ3 . TRP B 1 439 ? 2.275 -9.912 -30.541 1.00 52.61 ? 439 TRP B CZ3 1 ATOM 7608 C CH2 . TRP B 1 439 ? 2.565 -9.632 -31.879 1.00 52.36 ? 439 TRP B CH2 1 ATOM 7609 N N . PRO B 1 440 ? -1.816 -8.864 -26.106 1.00 55.94 ? 440 PRO B N 1 ATOM 7610 C CA . PRO B 1 440 ? -2.277 -8.828 -24.702 1.00 57.56 ? 440 PRO B CA 1 ATOM 7611 C C . PRO B 1 440 ? -2.272 -7.415 -24.081 1.00 60.91 ? 440 PRO B C 1 ATOM 7612 O O . PRO B 1 440 ? -1.551 -6.525 -24.557 1.00 57.35 ? 440 PRO B O 1 ATOM 7613 C CB . PRO B 1 440 ? -1.289 -9.759 -23.998 1.00 59.81 ? 440 PRO B CB 1 ATOM 7614 C CG . PRO B 1 440 ? -0.048 -9.649 -24.814 1.00 61.96 ? 440 PRO B CG 1 ATOM 7615 C CD . PRO B 1 440 ? -0.559 -9.631 -26.229 1.00 56.80 ? 440 PRO B CD 1 ATOM 7616 N N . LEU B 1 441 ? -3.073 -7.218 -23.021 1.00 60.48 ? 441 LEU B N 1 ATOM 7617 C CA . LEU B 1 441 ? -3.188 -5.944 -22.302 1.00 60.69 ? 441 LEU B CA 1 ATOM 7618 C C . LEU B 1 441 ? -1.862 -5.411 -21.780 1.00 61.90 ? 441 LEU B C 1 ATOM 7619 O O . LEU B 1 441 ? -1.680 -4.193 -21.764 1.00 60.43 ? 441 LEU B O 1 ATOM 7620 C CB . LEU B 1 441 ? -4.195 -6.031 -21.137 1.00 63.39 ? 441 LEU B CB 1 ATOM 7621 C CG . LEU B 1 441 ? -5.670 -6.212 -21.500 1.00 71.60 ? 441 LEU B CG 1 ATOM 7622 C CD1 . LEU B 1 441 ? -6.478 -6.586 -20.282 1.00 74.42 ? 441 LEU B CD1 1 ATOM 7623 C CD2 . LEU B 1 441 ? -6.254 -4.950 -22.149 1.00 75.19 ? 441 LEU B CD2 1 ATOM 7624 N N . TRP B 1 442 ? -0.932 -6.300 -21.368 1.00 57.76 ? 442 TRP B N 1 ATOM 7625 C CA . TRP B 1 442 ? 0.370 -5.862 -20.841 1.00 56.14 ? 442 TRP B CA 1 ATOM 7626 C C . TRP B 1 442 ? 1.179 -5.072 -21.874 1.00 57.29 ? 442 TRP B C 1 ATOM 7627 O O . TRP B 1 442 ? 1.983 -4.226 -21.498 1.00 57.09 ? 442 TRP B O 1 ATOM 7628 C CB . TRP B 1 442 ? 1.194 -7.025 -20.222 1.00 55.66 ? 442 TRP B CB 1 ATOM 7629 C CG . TRP B 1 442 ? 1.831 -8.005 -21.176 1.00 56.13 ? 442 TRP B CG 1 ATOM 7630 C CD1 . TRP B 1 442 ? 1.400 -9.264 -21.464 1.00 60.21 ? 442 TRP B CD1 1 ATOM 7631 C CD2 . TRP B 1 442 ? 3.070 -7.831 -21.893 1.00 54.59 ? 442 TRP B CD2 1 ATOM 7632 N NE1 . TRP B 1 442 ? 2.263 -9.869 -22.349 1.00 58.99 ? 442 TRP B NE1 1 ATOM 7633 C CE2 . TRP B 1 442 ? 3.299 -9.014 -22.625 1.00 58.42 ? 442 TRP B CE2 1 ATOM 7634 C CE3 . TRP B 1 442 ? 4.001 -6.776 -21.999 1.00 54.16 ? 442 TRP B CE3 1 ATOM 7635 C CZ2 . TRP B 1 442 ? 4.413 -9.175 -23.456 1.00 56.87 ? 442 TRP B CZ2 1 ATOM 7636 C CZ3 . TRP B 1 442 ? 5.100 -6.931 -22.829 1.00 54.50 ? 442 TRP B CZ3 1 ATOM 7637 C CH2 . TRP B 1 442 ? 5.295 -8.116 -23.553 1.00 55.81 ? 442 TRP B CH2 1 ATOM 7638 N N . MET B 1 443 ? 0.965 -5.349 -23.172 1.00 51.89 ? 443 MET B N 1 ATOM 7639 C CA . MET B 1 443 ? 1.663 -4.650 -24.244 1.00 48.62 ? 443 MET B CA 1 ATOM 7640 C C . MET B 1 443 ? 1.181 -3.185 -24.419 1.00 50.38 ? 443 MET B C 1 ATOM 7641 O O . MET B 1 443 ? 1.852 -2.413 -25.103 1.00 49.82 ? 443 MET B O 1 ATOM 7642 C CB . MET B 1 443 ? 1.615 -5.457 -25.554 1.00 50.21 ? 443 MET B CB 1 ATOM 7643 C CG . MET B 1 443 ? 2.625 -6.582 -25.571 1.00 53.63 ? 443 MET B CG 1 ATOM 7644 S SD . MET B 1 443 ? 2.612 -7.658 -27.032 1.00 57.15 ? 443 MET B SD 1 ATOM 7645 C CE . MET B 1 443 ? 3.062 -6.576 -28.227 1.00 52.37 ? 443 MET B CE 1 ATOM 7646 N N . GLY B 1 444 ? 0.067 -2.825 -23.768 1.00 47.68 ? 444 GLY B N 1 ATOM 7647 C CA . GLY B 1 444 ? -0.508 -1.480 -23.752 1.00 47.22 ? 444 GLY B CA 1 ATOM 7648 C C . GLY B 1 444 ? -0.844 -0.958 -25.133 1.00 50.50 ? 444 GLY B C 1 ATOM 7649 O O . GLY B 1 444 ? -1.632 -1.584 -25.850 1.00 48.92 ? 444 GLY B O 1 ATOM 7650 N N . VAL B 1 445 ? -0.243 0.200 -25.512 1.00 45.65 ? 445 VAL B N 1 ATOM 7651 C CA . VAL B 1 445 ? -0.419 0.791 -26.853 1.00 43.83 ? 445 VAL B CA 1 ATOM 7652 C C . VAL B 1 445 ? 0.880 0.498 -27.620 1.00 44.87 ? 445 VAL B C 1 ATOM 7653 O O . VAL B 1 445 ? 1.845 1.253 -27.459 1.00 43.22 ? 445 VAL B O 1 ATOM 7654 C CB . VAL B 1 445 ? -0.732 2.326 -26.822 1.00 46.59 ? 445 VAL B CB 1 ATOM 7655 C CG1 . VAL B 1 445 ? -1.025 2.859 -28.232 1.00 45.88 ? 445 VAL B CG1 1 ATOM 7656 C CG2 . VAL B 1 445 ? -1.877 2.647 -25.863 1.00 47.26 ? 445 VAL B CG2 1 ATOM 7657 N N . PRO B 1 446 ? 0.983 -0.608 -28.394 1.00 41.35 ? 446 PRO B N 1 ATOM 7658 C CA . PRO B 1 446 ? 2.251 -0.882 -29.083 1.00 40.02 ? 446 PRO B CA 1 ATOM 7659 C C . PRO B 1 446 ? 2.464 0.053 -30.264 1.00 44.03 ? 446 PRO B C 1 ATOM 7660 O O . PRO B 1 446 ? 1.526 0.692 -30.746 1.00 42.39 ? 446 PRO B O 1 ATOM 7661 C CB . PRO B 1 446 ? 2.102 -2.355 -29.543 1.00 42.01 ? 446 PRO B CB 1 ATOM 7662 C CG . PRO B 1 446 ? 0.847 -2.864 -28.888 1.00 47.30 ? 446 PRO B CG 1 ATOM 7663 C CD . PRO B 1 446 ? -0.011 -1.657 -28.707 1.00 42.82 ? 446 PRO B CD 1 ATOM 7664 N N A HIS B 1 447 ? 3.738 0.131 -30.737 0.50 39.58 ? 447 HIS B N 1 ATOM 7665 N N B HIS B 1 447 ? 3.692 0.165 -30.680 0.50 41.88 ? 447 HIS B N 1 ATOM 7666 C CA A HIS B 1 447 ? 4.124 0.966 -31.877 0.50 37.59 ? 447 HIS B CA 1 ATOM 7667 C CA B HIS B 1 447 ? 4.206 0.900 -31.816 0.50 41.03 ? 447 HIS B CA 1 ATOM 7668 C C A HIS B 1 447 ? 3.276 0.632 -33.096 0.50 42.72 ? 447 HIS B C 1 ATOM 7669 C C B HIS B 1 447 ? 3.317 0.620 -33.088 0.50 44.34 ? 447 HIS B C 1 ATOM 7670 O O A HIS B 1 447 ? 3.056 -0.533 -33.405 0.50 43.05 ? 447 HIS B O 1 ATOM 7671 O O B HIS B 1 447 ? 3.124 -0.540 -33.430 0.50 44.71 ? 447 HIS B O 1 ATOM 7672 C CB A HIS B 1 447 ? 5.649 0.910 -32.163 0.50 37.17 ? 447 HIS B CB 1 ATOM 7673 C CB B HIS B 1 447 ? 5.595 0.283 -31.939 0.50 42.21 ? 447 HIS B CB 1 ATOM 7674 C CG A HIS B 1 447 ? 6.114 -0.162 -33.120 0.50 39.90 ? 447 HIS B CG 1 ATOM 7675 C CG B HIS B 1 447 ? 6.522 0.872 -32.922 0.50 44.82 ? 447 HIS B CG 1 ATOM 7676 N ND1 A HIS B 1 447 ? 6.091 -1.501 -32.778 0.50 42.03 ? 447 HIS B ND1 1 ATOM 7677 N ND1 B HIS B 1 447 ? 7.210 2.035 -32.651 0.50 45.77 ? 447 HIS B ND1 1 ATOM 7678 C CD2 A HIS B 1 447 ? 6.662 -0.038 -34.354 0.50 40.44 ? 447 HIS B CD2 1 ATOM 7679 C CD2 B HIS B 1 447 ? 7.004 0.324 -34.055 0.50 46.24 ? 447 HIS B CD2 1 ATOM 7680 C CE1 A HIS B 1 447 ? 6.599 -2.146 -33.816 0.50 41.45 ? 447 HIS B CE1 1 ATOM 7681 C CE1 B HIS B 1 447 ? 8.030 2.205 -33.665 0.50 44.33 ? 447 HIS B CE1 1 ATOM 7682 N NE2 A HIS B 1 447 ? 6.949 -1.306 -34.791 0.50 40.71 ? 447 HIS B NE2 1 ATOM 7683 N NE2 B HIS B 1 447 ? 7.941 1.183 -34.527 0.50 45.23 ? 447 HIS B NE2 1 ATOM 7684 N N . GLY B 1 448 ? 2.731 1.665 -33.703 1.00 39.53 ? 448 GLY B N 1 ATOM 7685 C CA . GLY B 1 448 ? 1.899 1.556 -34.900 1.00 38.78 ? 448 GLY B CA 1 ATOM 7686 C C . GLY B 1 448 ? 0.404 1.494 -34.674 1.00 44.74 ? 448 GLY B C 1 ATOM 7687 O O . GLY B 1 448 ? -0.356 1.598 -35.640 1.00 44.54 ? 448 GLY B O 1 ATOM 7688 N N . TYR B 1 449 ? -0.053 1.370 -33.403 1.00 41.89 ? 449 TYR B N 1 ATOM 7689 C CA . TYR B 1 449 ? -1.491 1.226 -33.138 1.00 41.63 ? 449 TYR B CA 1 ATOM 7690 C C . TYR B 1 449 ? -2.234 2.568 -32.979 1.00 43.33 ? 449 TYR B C 1 ATOM 7691 O O . TYR B 1 449 ? -3.412 2.585 -32.656 1.00 42.90 ? 449 TYR B O 1 ATOM 7692 C CB . TYR B 1 449 ? -1.757 0.238 -31.998 1.00 42.83 ? 449 TYR B CB 1 ATOM 7693 C CG . TYR B 1 449 ? -1.558 -1.169 -32.534 1.00 43.36 ? 449 TYR B CG 1 ATOM 7694 C CD1 . TYR B 1 449 ? -2.550 -1.796 -33.288 1.00 45.46 ? 449 TYR B CD1 1 ATOM 7695 C CD2 . TYR B 1 449 ? -0.324 -1.807 -32.430 1.00 42.58 ? 449 TYR B CD2 1 ATOM 7696 C CE1 . TYR B 1 449 ? -2.347 -3.056 -33.848 1.00 45.32 ? 449 TYR B CE1 1 ATOM 7697 C CE2 . TYR B 1 449 ? -0.117 -3.072 -32.969 1.00 43.57 ? 449 TYR B CE2 1 ATOM 7698 C CZ . TYR B 1 449 ? -1.131 -3.696 -33.676 1.00 50.62 ? 449 TYR B CZ 1 ATOM 7699 O OH . TYR B 1 449 ? -0.916 -4.936 -34.226 1.00 52.11 ? 449 TYR B OH 1 ATOM 7700 N N . GLU B 1 450 ? -1.589 3.659 -33.402 1.00 39.16 ? 450 GLU B N 1 ATOM 7701 C CA . GLU B 1 450 ? -2.205 4.969 -33.513 1.00 38.55 ? 450 GLU B CA 1 ATOM 7702 C C . GLU B 1 450 ? -2.606 5.196 -34.977 1.00 40.74 ? 450 GLU B C 1 ATOM 7703 O O . GLU B 1 450 ? -3.517 5.973 -35.236 1.00 40.95 ? 450 GLU B O 1 ATOM 7704 C CB . GLU B 1 450 ? -1.234 6.088 -33.039 1.00 38.41 ? 450 GLU B CB 1 ATOM 7705 C CG . GLU B 1 450 ? -0.204 6.582 -34.047 1.00 38.00 ? 450 GLU B CG 1 ATOM 7706 C CD . GLU B 1 450 ? 1.028 5.726 -34.255 1.00 42.81 ? 450 GLU B CD 1 ATOM 7707 O OE1 . GLU B 1 450 ? 0.965 4.503 -34.010 1.00 36.30 ? 450 GLU B OE1 1 ATOM 7708 O OE2 . GLU B 1 450 ? 2.071 6.280 -34.659 1.00 38.51 ? 450 GLU B OE2 1 ATOM 7709 N N . ILE B 1 451 ? -1.901 4.532 -35.934 1.00 36.89 ? 451 ILE B N 1 ATOM 7710 C CA . ILE B 1 451 ? -2.044 4.760 -37.368 1.00 35.03 ? 451 ILE B CA 1 ATOM 7711 C C . ILE B 1 451 ? -3.484 4.644 -37.845 1.00 40.37 ? 451 ILE B C 1 ATOM 7712 O O . ILE B 1 451 ? -3.962 5.547 -38.538 1.00 40.93 ? 451 ILE B O 1 ATOM 7713 C CB . ILE B 1 451 ? -1.075 3.875 -38.209 1.00 38.10 ? 451 ILE B CB 1 ATOM 7714 C CG1 . ILE B 1 451 ? 0.420 4.075 -37.774 1.00 35.73 ? 451 ILE B CG1 1 ATOM 7715 C CG2 . ILE B 1 451 ? -1.259 4.159 -39.709 1.00 37.77 ? 451 ILE B CG2 1 ATOM 7716 C CD1 . ILE B 1 451 ? 1.417 2.991 -38.395 1.00 34.35 ? 451 ILE B CD1 1 ATOM 7717 N N . GLU B 1 452 ? -4.173 3.557 -37.479 1.00 38.75 ? 452 GLU B N 1 ATOM 7718 C CA . GLU B 1 452 ? -5.567 3.301 -37.876 1.00 40.44 ? 452 GLU B CA 1 ATOM 7719 C C . GLU B 1 452 ? -6.522 4.442 -37.476 1.00 44.71 ? 452 GLU B C 1 ATOM 7720 O O . GLU B 1 452 ? -7.494 4.684 -38.181 1.00 45.60 ? 452 GLU B O 1 ATOM 7721 C CB . GLU B 1 452 ? -6.045 1.942 -37.327 1.00 43.57 ? 452 GLU B CB 1 ATOM 7722 C CG . GLU B 1 452 ? -6.041 1.841 -35.798 1.00 53.30 ? 452 GLU B CG 1 ATOM 7723 C CD . GLU B 1 452 ? -5.922 0.421 -35.281 1.00 66.49 ? 452 GLU B CD 1 ATOM 7724 O OE1 . GLU B 1 452 ? -6.922 -0.117 -34.761 1.00 62.91 ? 452 GLU B OE1 1 ATOM 7725 O OE2 . GLU B 1 452 ? -4.832 -0.172 -35.428 1.00 55.79 ? 452 GLU B OE2 1 ATOM 7726 N N . PHE B 1 453 ? -6.223 5.151 -36.367 1.00 42.22 ? 453 PHE B N 1 ATOM 7727 C CA . PHE B 1 453 ? -7.006 6.296 -35.867 1.00 41.84 ? 453 PHE B CA 1 ATOM 7728 C C . PHE B 1 453 ? -6.753 7.571 -36.703 1.00 44.31 ? 453 PHE B C 1 ATOM 7729 O O . PHE B 1 453 ? -7.707 8.243 -37.075 1.00 45.21 ? 453 PHE B O 1 ATOM 7730 C CB . PHE B 1 453 ? -6.718 6.526 -34.367 1.00 43.01 ? 453 PHE B CB 1 ATOM 7731 C CG . PHE B 1 453 ? -7.267 5.422 -33.496 1.00 44.55 ? 453 PHE B CG 1 ATOM 7732 C CD1 . PHE B 1 453 ? -8.610 5.403 -33.135 1.00 48.86 ? 453 PHE B CD1 1 ATOM 7733 C CD2 . PHE B 1 453 ? -6.452 4.374 -33.077 1.00 44.65 ? 453 PHE B CD2 1 ATOM 7734 C CE1 . PHE B 1 453 ? -9.136 4.344 -32.386 1.00 50.67 ? 453 PHE B CE1 1 ATOM 7735 C CE2 . PHE B 1 453 ? -6.971 3.326 -32.313 1.00 48.79 ? 453 PHE B CE2 1 ATOM 7736 C CZ . PHE B 1 453 ? -8.313 3.309 -31.985 1.00 49.35 ? 453 PHE B CZ 1 ATOM 7737 N N . ILE B 1 454 ? -5.481 7.878 -37.026 1.00 39.65 ? 454 ILE B N 1 ATOM 7738 C CA . ILE B 1 454 ? -5.078 9.024 -37.877 1.00 39.04 ? 454 ILE B CA 1 ATOM 7739 C C . ILE B 1 454 ? -5.641 8.875 -39.308 1.00 42.75 ? 454 ILE B C 1 ATOM 7740 O O . ILE B 1 454 ? -6.094 9.858 -39.902 1.00 42.48 ? 454 ILE B O 1 ATOM 7741 C CB . ILE B 1 454 ? -3.533 9.192 -37.885 1.00 40.44 ? 454 ILE B CB 1 ATOM 7742 C CG1 . ILE B 1 454 ? -3.028 9.668 -36.493 1.00 40.59 ? 454 ILE B CG1 1 ATOM 7743 C CG2 . ILE B 1 454 ? -3.089 10.164 -38.988 1.00 40.07 ? 454 ILE B CG2 1 ATOM 7744 C CD1 . ILE B 1 454 ? -1.612 9.167 -36.187 1.00 43.87 ? 454 ILE B CD1 1 ATOM 7745 N N . PHE B 1 455 ? -5.610 7.644 -39.850 1.00 38.36 ? 455 PHE B N 1 ATOM 7746 C CA . PHE B 1 455 ? -6.153 7.356 -41.180 1.00 38.20 ? 455 PHE B CA 1 ATOM 7747 C C . PHE B 1 455 ? -7.686 7.308 -41.171 1.00 46.30 ? 455 PHE B C 1 ATOM 7748 O O . PHE B 1 455 ? -8.296 7.372 -42.225 1.00 48.57 ? 455 PHE B O 1 ATOM 7749 C CB . PHE B 1 455 ? -5.528 6.092 -41.789 1.00 37.71 ? 455 PHE B CB 1 ATOM 7750 C CG . PHE B 1 455 ? -4.218 6.360 -42.488 1.00 37.22 ? 455 PHE B CG 1 ATOM 7751 C CD1 . PHE B 1 455 ? -3.021 6.397 -41.773 1.00 39.50 ? 455 PHE B CD1 1 ATOM 7752 C CD2 . PHE B 1 455 ? -4.176 6.595 -43.859 1.00 36.81 ? 455 PHE B CD2 1 ATOM 7753 C CE1 . PHE B 1 455 ? -1.802 6.623 -42.427 1.00 38.57 ? 455 PHE B CE1 1 ATOM 7754 C CE2 . PHE B 1 455 ? -2.959 6.812 -44.511 1.00 37.33 ? 455 PHE B CE2 1 ATOM 7755 C CZ . PHE B 1 455 ? -1.780 6.831 -43.788 1.00 35.51 ? 455 PHE B CZ 1 ATOM 7756 N N . GLY B 1 456 ? -8.287 7.218 -39.988 1.00 44.46 ? 456 GLY B N 1 ATOM 7757 C CA . GLY B 1 456 ? -9.739 7.255 -39.832 1.00 45.55 ? 456 GLY B CA 1 ATOM 7758 C C . GLY B 1 456 ? -10.506 5.978 -40.073 1.00 50.00 ? 456 GLY B C 1 ATOM 7759 O O . GLY B 1 456 ? -11.707 6.033 -40.362 1.00 49.29 ? 456 GLY B O 1 ATOM 7760 N N . LEU B 1 457 ? -9.849 4.813 -39.893 1.00 46.94 ? 457 LEU B N 1 ATOM 7761 C CA . LEU B 1 457 ? -10.510 3.504 -40.026 1.00 48.16 ? 457 LEU B CA 1 ATOM 7762 C C . LEU B 1 457 ? -11.725 3.355 -39.089 1.00 54.07 ? 457 LEU B C 1 ATOM 7763 O O . LEU B 1 457 ? -12.737 2.850 -39.576 1.00 56.81 ? 457 LEU B O 1 ATOM 7764 C CB . LEU B 1 457 ? -9.511 2.344 -39.866 1.00 47.50 ? 457 LEU B CB 1 ATOM 7765 C CG . LEU B 1 457 ? -8.834 1.868 -41.157 1.00 50.56 ? 457 LEU B CG 1 ATOM 7766 C CD1 . LEU B 1 457 ? -7.827 2.913 -41.690 1.00 46.80 ? 457 LEU B CD1 1 ATOM 7767 C CD2 . LEU B 1 457 ? -8.147 0.546 -40.925 1.00 54.01 ? 457 LEU B CD2 1 ATOM 7768 N N . PRO B 1 458 ? -11.745 3.895 -37.829 1.00 50.00 ? 458 PRO B N 1 ATOM 7769 C CA . PRO B 1 458 ? -12.972 3.787 -37.004 1.00 52.03 ? 458 PRO B CA 1 ATOM 7770 C C . PRO B 1 458 ? -14.251 4.371 -37.614 1.00 61.21 ? 458 PRO B C 1 ATOM 7771 O O . PRO B 1 458 ? -15.338 4.048 -37.142 1.00 64.61 ? 458 PRO B O 1 ATOM 7772 C CB . PRO B 1 458 ? -12.581 4.505 -35.705 1.00 52.34 ? 458 PRO B CB 1 ATOM 7773 C CG . PRO B 1 458 ? -11.103 4.337 -35.629 1.00 53.87 ? 458 PRO B CG 1 ATOM 7774 C CD . PRO B 1 458 ? -10.654 4.519 -37.040 1.00 48.37 ? 458 PRO B CD 1 ATOM 7775 N N . LEU B 1 459 ? -14.132 5.182 -38.678 1.00 58.13 ? 459 LEU B N 1 ATOM 7776 C CA . LEU B 1 459 ? -15.267 5.783 -39.393 1.00 59.63 ? 459 LEU B CA 1 ATOM 7777 C C . LEU B 1 459 ? -16.031 4.765 -40.242 1.00 65.57 ? 459 LEU B C 1 ATOM 7778 O O . LEU B 1 459 ? -17.167 5.038 -40.643 1.00 67.29 ? 459 LEU B O 1 ATOM 7779 C CB . LEU B 1 459 ? -14.819 6.988 -40.238 1.00 58.88 ? 459 LEU B CB 1 ATOM 7780 C CG . LEU B 1 459 ? -14.734 8.331 -39.496 1.00 63.73 ? 459 LEU B CG 1 ATOM 7781 C CD1 . LEU B 1 459 ? -13.526 8.400 -38.558 1.00 62.18 ? 459 LEU B CD1 1 ATOM 7782 C CD2 . LEU B 1 459 ? -14.664 9.465 -40.474 1.00 64.66 ? 459 LEU B CD2 1 ATOM 7783 N N . ASP B 1 460 ? -15.418 3.593 -40.504 1.00 61.63 ? 460 ASP B N 1 ATOM 7784 C CA . ASP B 1 460 ? -16.038 2.492 -41.238 1.00 62.33 ? 460 ASP B CA 1 ATOM 7785 C C . ASP B 1 460 ? -16.855 1.701 -40.195 1.00 68.97 ? 460 ASP B C 1 ATOM 7786 O O . ASP B 1 460 ? -16.255 1.095 -39.306 1.00 66.49 ? 460 ASP B O 1 ATOM 7787 C CB . ASP B 1 460 ? -14.957 1.612 -41.915 1.00 62.02 ? 460 ASP B CB 1 ATOM 7788 C CG . ASP B 1 460 ? -15.489 0.484 -42.796 1.00 72.06 ? 460 ASP B CG 1 ATOM 7789 O OD1 . ASP B 1 460 ? -16.677 0.119 -42.650 1.00 74.41 ? 460 ASP B OD1 1 ATOM 7790 O OD2 . ASP B 1 460 ? -14.699 -0.065 -43.602 1.00 75.17 ? 460 ASP B OD2 1 ATOM 7791 N N . PRO B 1 461 ? -18.215 1.699 -40.268 1.00 71.55 ? 461 PRO B N 1 ATOM 7792 C CA . PRO B 1 461 ? -19.011 0.986 -39.243 1.00 73.97 ? 461 PRO B CA 1 ATOM 7793 C C . PRO B 1 461 ? -18.793 -0.529 -39.146 1.00 78.76 ? 461 PRO B C 1 ATOM 7794 O O . PRO B 1 461 ? -19.050 -1.103 -38.083 1.00 80.39 ? 461 PRO B O 1 ATOM 7795 C CB . PRO B 1 461 ? -20.464 1.320 -39.613 1.00 77.74 ? 461 PRO B CB 1 ATOM 7796 C CG . PRO B 1 461 ? -20.390 2.480 -40.538 1.00 81.01 ? 461 PRO B CG 1 ATOM 7797 C CD . PRO B 1 461 ? -19.095 2.347 -41.264 1.00 74.46 ? 461 PRO B CD 1 ATOM 7798 N N . SER B 1 462 ? -18.296 -1.164 -40.225 1.00 72.40 ? 462 SER B N 1 ATOM 7799 C CA . SER B 1 462 ? -18.043 -2.602 -40.265 1.00 72.38 ? 462 SER B CA 1 ATOM 7800 C C . SER B 1 462 ? -16.786 -3.056 -39.491 1.00 75.17 ? 462 SER B C 1 ATOM 7801 O O . SER B 1 462 ? -16.618 -4.264 -39.295 1.00 75.48 ? 462 SER B O 1 ATOM 7802 C CB . SER B 1 462 ? -18.001 -3.094 -41.712 1.00 75.22 ? 462 SER B CB 1 ATOM 7803 O OG . SER B 1 462 ? -16.862 -2.624 -42.419 1.00 80.09 ? 462 SER B OG 1 ATOM 7804 N N . LEU B 1 463 ? -15.922 -2.107 -39.031 1.00 69.82 ? 463 LEU B N 1 ATOM 7805 C CA . LEU B 1 463 ? -14.677 -2.441 -38.328 1.00 67.58 ? 463 LEU B CA 1 ATOM 7806 C C . LEU B 1 463 ? -14.831 -2.605 -36.792 1.00 72.12 ? 463 LEU B C 1 ATOM 7807 O O . LEU B 1 463 ? -13.891 -3.033 -36.117 1.00 71.93 ? 463 LEU B O 1 ATOM 7808 C CB . LEU B 1 463 ? -13.557 -1.453 -38.693 1.00 65.32 ? 463 LEU B CB 1 ATOM 7809 C CG . LEU B 1 463 ? -13.161 -1.406 -40.193 1.00 67.98 ? 463 LEU B CG 1 ATOM 7810 C CD1 . LEU B 1 463 ? -12.057 -0.407 -40.437 1.00 64.68 ? 463 LEU B CD1 1 ATOM 7811 C CD2 . LEU B 1 463 ? -12.731 -2.786 -40.721 1.00 71.12 ? 463 LEU B CD2 1 ATOM 7812 N N . ASN B 1 464 ? -16.022 -2.332 -36.265 1.00 69.87 ? 464 ASN B N 1 ATOM 7813 C CA . ASN B 1 464 ? -16.431 -2.559 -34.871 1.00 71.82 ? 464 ASN B CA 1 ATOM 7814 C C . ASN B 1 464 ? -15.687 -1.732 -33.788 1.00 73.95 ? 464 ASN B C 1 ATOM 7815 O O . ASN B 1 464 ? -15.643 -2.162 -32.624 1.00 76.71 ? 464 ASN B O 1 ATOM 7816 C CB . ASN B 1 464 ? -16.398 -4.075 -34.498 1.00 79.21 ? 464 ASN B CB 1 ATOM 7817 C CG . ASN B 1 464 ? -17.272 -4.982 -35.356 1.00 120.12 ? 464 ASN B CG 1 ATOM 7818 O OD1 . ASN B 1 464 ? -18.225 -4.536 -36.018 1.00 105.92 ? 464 ASN B OD1 1 ATOM 7819 N ND2 . ASN B 1 464 ? -16.964 -6.286 -35.353 1.00 130.25 ? 464 ASN B ND2 1 ATOM 7820 N N . TYR B 1 465 ? -15.209 -0.514 -34.120 1.00 64.12 ? 465 TYR B N 1 ATOM 7821 C CA . TYR B 1 465 ? -14.643 0.383 -33.107 1.00 60.61 ? 465 TYR B CA 1 ATOM 7822 C C . TYR B 1 465 ? -15.824 0.997 -32.320 1.00 64.47 ? 465 TYR B C 1 ATOM 7823 O O . TYR B 1 465 ? -16.941 1.036 -32.837 1.00 64.30 ? 465 TYR B O 1 ATOM 7824 C CB . TYR B 1 465 ? -13.866 1.517 -33.776 1.00 58.52 ? 465 TYR B CB 1 ATOM 7825 C CG . TYR B 1 465 ? -12.576 1.098 -34.441 1.00 56.84 ? 465 TYR B CG 1 ATOM 7826 C CD1 . TYR B 1 465 ? -12.553 0.702 -35.779 1.00 58.05 ? 465 TYR B CD1 1 ATOM 7827 C CD2 . TYR B 1 465 ? -11.366 1.149 -33.753 1.00 55.31 ? 465 TYR B CD2 1 ATOM 7828 C CE1 . TYR B 1 465 ? -11.356 0.394 -36.420 1.00 55.54 ? 465 TYR B CE1 1 ATOM 7829 C CE2 . TYR B 1 465 ? -10.167 0.809 -34.376 1.00 53.77 ? 465 TYR B CE2 1 ATOM 7830 C CZ . TYR B 1 465 ? -10.169 0.433 -35.708 1.00 59.58 ? 465 TYR B CZ 1 ATOM 7831 O OH . TYR B 1 465 ? -8.993 0.118 -36.329 1.00 59.31 ? 465 TYR B OH 1 ATOM 7832 N N . THR B 1 466 ? -15.582 1.494 -31.094 1.00 61.19 ? 466 THR B N 1 ATOM 7833 C CA . THR B 1 466 ? -16.638 2.136 -30.293 1.00 61.95 ? 466 THR B CA 1 ATOM 7834 C C . THR B 1 466 ? -16.968 3.531 -30.872 1.00 66.36 ? 466 THR B C 1 ATOM 7835 O O . THR B 1 466 ? -16.196 4.061 -31.675 1.00 66.10 ? 466 THR B O 1 ATOM 7836 C CB . THR B 1 466 ? -16.216 2.266 -28.811 1.00 64.14 ? 466 THR B CB 1 ATOM 7837 O OG1 . THR B 1 466 ? -15.211 3.261 -28.689 1.00 63.43 ? 466 THR B OG1 1 ATOM 7838 C CG2 . THR B 1 466 ? -15.738 0.964 -28.206 1.00 61.85 ? 466 THR B CG2 1 ATOM 7839 N N . THR B 1 467 ? -18.084 4.136 -30.428 1.00 64.12 ? 467 THR B N 1 ATOM 7840 C CA . THR B 1 467 ? -18.539 5.480 -30.811 1.00 63.83 ? 467 THR B CA 1 ATOM 7841 C C . THR B 1 467 ? -17.482 6.519 -30.401 1.00 65.25 ? 467 THR B C 1 ATOM 7842 O O . THR B 1 467 ? -17.208 7.454 -31.162 1.00 64.70 ? 467 THR B O 1 ATOM 7843 C CB . THR B 1 467 ? -19.899 5.760 -30.146 1.00 74.06 ? 467 THR B CB 1 ATOM 7844 O OG1 . THR B 1 467 ? -20.829 4.780 -30.594 1.00 74.59 ? 467 THR B OG1 1 ATOM 7845 C CG2 . THR B 1 467 ? -20.431 7.161 -30.439 1.00 73.06 ? 467 THR B CG2 1 ATOM 7846 N N . GLU B 1 468 ? -16.880 6.327 -29.203 1.00 59.79 ? 468 GLU B N 1 ATOM 7847 C CA . GLU B 1 468 ? -15.843 7.187 -28.648 1.00 56.89 ? 468 GLU B CA 1 ATOM 7848 C C . GLU B 1 468 ? -14.624 7.181 -29.583 1.00 58.14 ? 468 GLU B C 1 ATOM 7849 O O . GLU B 1 468 ? -14.076 8.239 -29.886 1.00 55.95 ? 468 GLU B O 1 ATOM 7850 C CB . GLU B 1 468 ? -15.450 6.709 -27.237 1.00 58.40 ? 468 GLU B CB 1 ATOM 7851 C CG . GLU B 1 468 ? -16.420 7.093 -26.124 1.00 69.24 ? 468 GLU B CG 1 ATOM 7852 C CD . GLU B 1 468 ? -17.765 6.378 -26.098 1.00 100.02 ? 468 GLU B CD 1 ATOM 7853 O OE1 . GLU B 1 468 ? -18.748 6.998 -25.629 1.00 106.62 ? 468 GLU B OE1 1 ATOM 7854 O OE2 . GLU B 1 468 ? -17.842 5.204 -26.535 1.00 88.15 ? 468 GLU B OE2 1 ATOM 7855 N N . GLU B 1 469 ? -14.243 5.989 -30.077 1.00 55.03 ? 469 GLU B N 1 ATOM 7856 C CA . GLU B 1 469 ? -13.122 5.782 -30.992 1.00 52.24 ? 469 GLU B CA 1 ATOM 7857 C C . GLU B 1 469 ? -13.339 6.465 -32.343 1.00 56.80 ? 469 GLU B C 1 ATOM 7858 O O . GLU B 1 469 ? -12.386 7.015 -32.907 1.00 55.50 ? 469 GLU B O 1 ATOM 7859 C CB . GLU B 1 469 ? -12.840 4.285 -31.157 1.00 52.81 ? 469 GLU B CB 1 ATOM 7860 C CG . GLU B 1 469 ? -12.153 3.691 -29.938 1.00 55.54 ? 469 GLU B CG 1 ATOM 7861 C CD . GLU B 1 469 ? -11.846 2.211 -30.045 1.00 66.13 ? 469 GLU B CD 1 ATOM 7862 O OE1 . GLU B 1 469 ? -12.705 1.449 -30.547 1.00 60.49 ? 469 GLU B OE1 1 ATOM 7863 O OE2 . GLU B 1 469 ? -10.736 1.812 -29.633 1.00 54.55 ? 469 GLU B OE2 1 ATOM 7864 N N . ARG B 1 470 ? -14.583 6.443 -32.852 1.00 54.92 ? 470 ARG B N 1 ATOM 7865 C CA . ARG B 1 470 ? -14.961 7.086 -34.114 1.00 55.06 ? 470 ARG B CA 1 ATOM 7866 C C . ARG B 1 470 ? -14.791 8.624 -33.974 1.00 56.67 ? 470 ARG B C 1 ATOM 7867 O O . ARG B 1 470 ? -14.181 9.243 -34.847 1.00 53.72 ? 470 ARG B O 1 ATOM 7868 C CB . ARG B 1 470 ? -16.398 6.675 -34.502 1.00 58.85 ? 470 ARG B CB 1 ATOM 7869 C CG . ARG B 1 470 ? -16.825 7.002 -35.935 1.00 75.06 ? 470 ARG B CG 1 ATOM 7870 C CD . ARG B 1 470 ? -17.674 8.269 -36.048 1.00 91.83 ? 470 ARG B CD 1 ATOM 7871 N NE . ARG B 1 470 ? -18.904 8.210 -35.251 1.00 106.47 ? 470 ARG B NE 1 ATOM 7872 C CZ . ARG B 1 470 ? -19.514 9.271 -34.729 1.00 124.08 ? 470 ARG B CZ 1 ATOM 7873 N NH1 . ARG B 1 470 ? -19.021 10.490 -34.918 1.00 110.19 ? 470 ARG B NH1 1 ATOM 7874 N NH2 . ARG B 1 470 ? -20.621 9.123 -34.013 1.00 113.88 ? 470 ARG B NH2 1 ATOM 7875 N N . ILE B 1 471 ? -15.293 9.212 -32.852 1.00 54.73 ? 471 ILE B N 1 ATOM 7876 C CA . ILE B 1 471 ? -15.170 10.647 -32.506 1.00 54.12 ? 471 ILE B CA 1 ATOM 7877 C C . ILE B 1 471 ? -13.686 11.017 -32.313 1.00 54.86 ? 471 ILE B C 1 ATOM 7878 O O . ILE B 1 471 ? -13.253 12.070 -32.783 1.00 53.84 ? 471 ILE B O 1 ATOM 7879 C CB . ILE B 1 471 ? -16.044 11.026 -31.264 1.00 57.94 ? 471 ILE B CB 1 ATOM 7880 C CG1 . ILE B 1 471 ? -17.544 10.945 -31.594 1.00 60.34 ? 471 ILE B CG1 1 ATOM 7881 C CG2 . ILE B 1 471 ? -15.679 12.421 -30.677 1.00 56.50 ? 471 ILE B CG2 1 ATOM 7882 C CD1 . ILE B 1 471 ? -18.447 10.726 -30.317 1.00 67.79 ? 471 ILE B CD1 1 ATOM 7883 N N . PHE B 1 472 ? -12.923 10.147 -31.629 1.00 50.81 ? 472 PHE B N 1 ATOM 7884 C CA . PHE B 1 472 ? -11.488 10.323 -31.405 1.00 49.03 ? 472 PHE B CA 1 ATOM 7885 C C . PHE B 1 472 ? -10.716 10.317 -32.737 1.00 50.89 ? 472 PHE B C 1 ATOM 7886 O O . PHE B 1 472 ? -9.895 11.208 -32.950 1.00 49.37 ? 472 PHE B O 1 ATOM 7887 C CB . PHE B 1 472 ? -10.960 9.268 -30.429 1.00 50.08 ? 472 PHE B CB 1 ATOM 7888 C CG . PHE B 1 472 ? -9.473 9.260 -30.165 1.00 48.60 ? 472 PHE B CG 1 ATOM 7889 C CD1 . PHE B 1 472 ? -8.823 10.404 -29.711 1.00 49.29 ? 472 PHE B CD1 1 ATOM 7890 C CD2 . PHE B 1 472 ? -8.738 8.090 -30.293 1.00 49.08 ? 472 PHE B CD2 1 ATOM 7891 C CE1 . PHE B 1 472 ? -7.453 10.388 -29.431 1.00 48.48 ? 472 PHE B CE1 1 ATOM 7892 C CE2 . PHE B 1 472 ? -7.373 8.071 -29.998 1.00 50.00 ? 472 PHE B CE2 1 ATOM 7893 C CZ . PHE B 1 472 ? -6.740 9.219 -29.561 1.00 46.91 ? 472 PHE B CZ 1 ATOM 7894 N N . ALA B 1 473 ? -11.022 9.362 -33.649 1.00 47.56 ? 473 ALA B N 1 ATOM 7895 C CA . ALA B 1 473 ? -10.386 9.308 -34.975 1.00 46.13 ? 473 ALA B CA 1 ATOM 7896 C C . ALA B 1 473 ? -10.645 10.607 -35.757 1.00 49.17 ? 473 ALA B C 1 ATOM 7897 O O . ALA B 1 473 ? -9.713 11.141 -36.356 1.00 47.26 ? 473 ALA B O 1 ATOM 7898 C CB . ALA B 1 473 ? -10.875 8.094 -35.768 1.00 47.23 ? 473 ALA B CB 1 ATOM 7899 N N . GLN B 1 474 ? -11.893 11.143 -35.704 1.00 47.23 ? 474 GLN B N 1 ATOM 7900 C CA . GLN B 1 474 ? -12.266 12.401 -36.375 1.00 47.58 ? 474 GLN B CA 1 ATOM 7901 C C . GLN B 1 474 ? -11.433 13.590 -35.871 1.00 50.07 ? 474 GLN B C 1 ATOM 7902 O O . GLN B 1 474 ? -10.987 14.420 -36.675 1.00 48.44 ? 474 GLN B O 1 ATOM 7903 C CB . GLN B 1 474 ? -13.763 12.679 -36.253 1.00 50.53 ? 474 GLN B CB 1 ATOM 7904 C CG . GLN B 1 474 ? -14.593 11.731 -37.106 1.00 65.62 ? 474 GLN B CG 1 ATOM 7905 C CD . GLN B 1 474 ? -16.069 11.994 -36.990 1.00 90.14 ? 474 GLN B CD 1 ATOM 7906 O OE1 . GLN B 1 474 ? -16.710 11.696 -35.974 1.00 84.49 ? 474 GLN B OE1 1 ATOM 7907 N NE2 . GLN B 1 474 ? -16.642 12.551 -38.042 1.00 90.24 ? 474 GLN B NE2 1 ATOM 7908 N N . ARG B 1 475 ? -11.186 13.632 -34.544 1.00 46.13 ? 475 ARG B N 1 ATOM 7909 C CA . ARG B 1 475 ? -10.354 14.654 -33.912 1.00 45.73 ? 475 ARG B CA 1 ATOM 7910 C C . ARG B 1 475 ? -8.874 14.567 -34.406 1.00 45.92 ? 475 ARG B C 1 ATOM 7911 O O . ARG B 1 475 ? -8.278 15.602 -34.713 1.00 44.04 ? 475 ARG B O 1 ATOM 7912 C CB . ARG B 1 475 ? -10.463 14.581 -32.371 1.00 47.56 ? 475 ARG B CB 1 ATOM 7913 C CG . ARG B 1 475 ? -9.817 15.773 -31.665 1.00 61.85 ? 475 ARG B CG 1 ATOM 7914 C CD . ARG B 1 475 ? -10.345 16.064 -30.251 1.00 63.53 ? 475 ARG B CD 1 ATOM 7915 N NE . ARG B 1 475 ? -10.363 14.871 -29.402 1.00 52.15 ? 475 ARG B NE 1 ATOM 7916 C CZ . ARG B 1 475 ? -9.375 14.485 -28.602 1.00 53.45 ? 475 ARG B CZ 1 ATOM 7917 N NH1 . ARG B 1 475 ? -8.262 15.206 -28.507 1.00 42.12 ? 475 ARG B NH1 1 ATOM 7918 N NH2 . ARG B 1 475 ? -9.498 13.388 -27.875 1.00 45.57 ? 475 ARG B NH2 1 ATOM 7919 N N . LEU B 1 476 ? -8.316 13.342 -34.520 1.00 41.20 ? 476 LEU B N 1 ATOM 7920 C CA . LEU B 1 476 ? -6.934 13.117 -34.975 1.00 41.22 ? 476 LEU B CA 1 ATOM 7921 C C . LEU B 1 476 ? -6.738 13.475 -36.446 1.00 45.73 ? 476 LEU B C 1 ATOM 7922 O O . LEU B 1 476 ? -5.708 14.066 -36.807 1.00 43.96 ? 476 LEU B O 1 ATOM 7923 C CB . LEU B 1 476 ? -6.493 11.666 -34.722 1.00 41.45 ? 476 LEU B CB 1 ATOM 7924 C CG . LEU B 1 476 ? -6.493 11.242 -33.257 1.00 48.14 ? 476 LEU B CG 1 ATOM 7925 C CD1 . LEU B 1 476 ? -6.462 9.764 -33.143 1.00 49.43 ? 476 LEU B CD1 1 ATOM 7926 C CD2 . LEU B 1 476 ? -5.325 11.812 -32.524 1.00 48.91 ? 476 LEU B CD2 1 ATOM 7927 N N . MET B 1 477 ? -7.738 13.128 -37.292 1.00 43.24 ? 477 MET B N 1 ATOM 7928 C CA . MET B 1 477 ? -7.757 13.437 -38.724 1.00 43.02 ? 477 MET B CA 1 ATOM 7929 C C . MET B 1 477 ? -7.704 14.948 -38.900 1.00 44.30 ? 477 MET B C 1 ATOM 7930 O O . MET B 1 477 ? -6.999 15.432 -39.776 1.00 43.61 ? 477 MET B O 1 ATOM 7931 C CB . MET B 1 477 ? -9.031 12.882 -39.373 1.00 47.40 ? 477 MET B CB 1 ATOM 7932 C CG . MET B 1 477 ? -9.069 11.368 -39.452 1.00 52.28 ? 477 MET B CG 1 ATOM 7933 S SD . MET B 1 477 ? -10.675 10.763 -40.049 1.00 59.09 ? 477 MET B SD 1 ATOM 7934 C CE . MET B 1 477 ? -10.443 10.958 -41.741 1.00 54.41 ? 477 MET B CE 1 ATOM 7935 N N . LYS B 1 478 ? -8.432 15.689 -38.043 1.00 40.88 ? 478 LYS B N 1 ATOM 7936 C CA . LYS B 1 478 ? -8.461 17.149 -38.020 1.00 41.28 ? 478 LYS B CA 1 ATOM 7937 C C . LYS B 1 478 ? -7.109 17.734 -37.593 1.00 44.50 ? 478 LYS B C 1 ATOM 7938 O O . LYS B 1 478 ? -6.661 18.680 -38.231 1.00 44.87 ? 478 LYS B O 1 ATOM 7939 C CB . LYS B 1 478 ? -9.568 17.684 -37.086 1.00 44.90 ? 478 LYS B CB 1 ATOM 7940 C CG . LYS B 1 478 ? -10.889 17.966 -37.778 1.00 66.40 ? 478 LYS B CG 1 ATOM 7941 C CD . LYS B 1 478 ? -10.877 19.284 -38.551 1.00 78.80 ? 478 LYS B CD 1 ATOM 7942 C CE . LYS B 1 478 ? -12.231 19.636 -39.132 1.00 90.41 ? 478 LYS B CE 1 ATOM 7943 N NZ . LYS B 1 478 ? -12.661 18.719 -40.225 1.00 90.72 ? 478 LYS B NZ 1 ATOM 7944 N N . TYR B 1 479 ? -6.458 17.194 -36.531 1.00 39.29 ? 479 TYR B N 1 ATOM 7945 C CA . TYR B 1 479 ? -5.155 17.711 -36.090 1.00 38.58 ? 479 TYR B CA 1 ATOM 7946 C C . TYR B 1 479 ? -4.135 17.563 -37.224 1.00 40.79 ? 479 TYR B C 1 ATOM 7947 O O . TYR B 1 479 ? -3.433 18.521 -37.551 1.00 39.50 ? 479 TYR B O 1 ATOM 7948 C CB . TYR B 1 479 ? -4.600 16.968 -34.858 1.00 38.85 ? 479 TYR B CB 1 ATOM 7949 C CG . TYR B 1 479 ? -5.363 17.121 -33.564 1.00 41.68 ? 479 TYR B CG 1 ATOM 7950 C CD1 . TYR B 1 479 ? -5.767 18.375 -33.111 1.00 44.71 ? 479 TYR B CD1 1 ATOM 7951 C CD2 . TYR B 1 479 ? -5.543 16.038 -32.712 1.00 42.12 ? 479 TYR B CD2 1 ATOM 7952 C CE1 . TYR B 1 479 ? -6.454 18.522 -31.905 1.00 45.17 ? 479 TYR B CE1 1 ATOM 7953 C CE2 . TYR B 1 479 ? -6.218 16.172 -31.504 1.00 42.99 ? 479 TYR B CE2 1 ATOM 7954 C CZ . TYR B 1 479 ? -6.676 17.415 -31.106 1.00 51.66 ? 479 TYR B CZ 1 ATOM 7955 O OH . TYR B 1 479 ? -7.348 17.527 -29.916 1.00 52.49 ? 479 TYR B OH 1 ATOM 7956 N N . TRP B 1 480 ? -4.070 16.357 -37.815 1.00 36.92 ? 480 TRP B N 1 ATOM 7957 C CA . TRP B 1 480 ? -3.135 16.022 -38.886 1.00 36.25 ? 480 TRP B CA 1 ATOM 7958 C C . TRP B 1 480 ? -3.355 16.866 -40.158 1.00 39.66 ? 480 TRP B C 1 ATOM 7959 O O . TRP B 1 480 ? -2.384 17.387 -40.712 1.00 37.85 ? 480 TRP B O 1 ATOM 7960 C CB . TRP B 1 480 ? -3.178 14.496 -39.170 1.00 34.76 ? 480 TRP B CB 1 ATOM 7961 C CG . TRP B 1 480 ? -2.060 13.706 -38.509 1.00 34.41 ? 480 TRP B CG 1 ATOM 7962 C CD1 . TRP B 1 480 ? -1.073 13.004 -39.140 1.00 36.25 ? 480 TRP B CD1 1 ATOM 7963 C CD2 . TRP B 1 480 ? -1.833 13.532 -37.088 1.00 33.91 ? 480 TRP B CD2 1 ATOM 7964 N NE1 . TRP B 1 480 ? -0.247 12.402 -38.210 1.00 34.96 ? 480 TRP B NE1 1 ATOM 7965 C CE2 . TRP B 1 480 ? -0.693 12.707 -36.944 1.00 36.06 ? 480 TRP B CE2 1 ATOM 7966 C CE3 . TRP B 1 480 ? -2.497 13.976 -35.928 1.00 35.37 ? 480 TRP B CE3 1 ATOM 7967 C CZ2 . TRP B 1 480 ? -0.193 12.335 -35.690 1.00 35.01 ? 480 TRP B CZ2 1 ATOM 7968 C CZ3 . TRP B 1 480 ? -1.972 13.649 -34.680 1.00 36.72 ? 480 TRP B CZ3 1 ATOM 7969 C CH2 . TRP B 1 480 ? -0.841 12.832 -34.567 1.00 36.50 ? 480 TRP B CH2 1 ATOM 7970 N N . THR B 1 481 ? -4.626 17.039 -40.585 1.00 37.70 ? 481 THR B N 1 ATOM 7971 C CA . THR B 1 481 ? -4.942 17.809 -41.795 1.00 39.15 ? 481 THR B CA 1 ATOM 7972 C C . THR B 1 481 ? -4.851 19.306 -41.533 1.00 45.08 ? 481 THR B C 1 ATOM 7973 O O . THR B 1 481 ? -4.462 20.029 -42.438 1.00 45.18 ? 481 THR B O 1 ATOM 7974 C CB . THR B 1 481 ? -6.261 17.375 -42.452 1.00 46.97 ? 481 THR B CB 1 ATOM 7975 O OG1 . THR B 1 481 ? -7.324 17.506 -41.514 1.00 48.20 ? 481 THR B OG1 1 ATOM 7976 C CG2 . THR B 1 481 ? -6.206 15.940 -42.965 1.00 41.08 ? 481 THR B CG2 1 ATOM 7977 N N . ASN B 1 482 ? -5.155 19.780 -40.300 1.00 42.87 ? 482 ASN B N 1 ATOM 7978 C CA . ASN B 1 482 ? -4.975 21.206 -39.971 1.00 42.94 ? 482 ASN B CA 1 ATOM 7979 C C . ASN B 1 482 ? -3.480 21.495 -39.992 1.00 43.38 ? 482 ASN B C 1 ATOM 7980 O O . ASN B 1 482 ? -3.078 22.534 -40.508 1.00 43.31 ? 482 ASN B O 1 ATOM 7981 C CB . ASN B 1 482 ? -5.548 21.580 -38.599 1.00 45.58 ? 482 ASN B CB 1 ATOM 7982 C CG . ASN B 1 482 ? -7.050 21.681 -38.545 1.00 59.61 ? 482 ASN B CG 1 ATOM 7983 O OD1 . ASN B 1 482 ? -7.721 21.959 -39.535 1.00 50.93 ? 482 ASN B OD1 1 ATOM 7984 N ND2 . ASN B 1 482 ? -7.610 21.427 -37.377 1.00 59.79 ? 482 ASN B ND2 1 ATOM 7985 N N . PHE B 1 483 ? -2.660 20.552 -39.479 1.00 38.33 ? 483 PHE B N 1 ATOM 7986 C CA . PHE B 1 483 ? -1.205 20.677 -39.517 1.00 37.62 ? 483 PHE B CA 1 ATOM 7987 C C . PHE B 1 483 ? -0.717 20.727 -40.986 1.00 42.61 ? 483 PHE B C 1 ATOM 7988 O O . PHE B 1 483 ? 0.068 21.603 -41.328 1.00 42.44 ? 483 PHE B O 1 ATOM 7989 C CB . PHE B 1 483 ? -0.497 19.546 -38.742 1.00 37.25 ? 483 PHE B CB 1 ATOM 7990 C CG . PHE B 1 483 ? 1.007 19.691 -38.814 1.00 37.53 ? 483 PHE B CG 1 ATOM 7991 C CD1 . PHE B 1 483 ? 1.666 20.668 -38.067 1.00 38.61 ? 483 PHE B CD1 1 ATOM 7992 C CD2 . PHE B 1 483 ? 1.760 18.894 -39.674 1.00 37.10 ? 483 PHE B CD2 1 ATOM 7993 C CE1 . PHE B 1 483 ? 3.044 20.846 -38.176 1.00 38.13 ? 483 PHE B CE1 1 ATOM 7994 C CE2 . PHE B 1 483 ? 3.144 19.072 -39.782 1.00 38.00 ? 483 PHE B CE2 1 ATOM 7995 C CZ . PHE B 1 483 ? 3.775 20.048 -39.034 1.00 36.18 ? 483 PHE B CZ 1 ATOM 7996 N N . ALA B 1 484 ? -1.184 19.799 -41.842 1.00 38.95 ? 484 ALA B N 1 ATOM 7997 C CA . ALA B 1 484 ? -0.811 19.770 -43.263 1.00 39.13 ? 484 ALA B CA 1 ATOM 7998 C C . ALA B 1 484 ? -1.172 21.095 -43.974 1.00 44.12 ? 484 ALA B C 1 ATOM 7999 O O . ALA B 1 484 ? -0.358 21.634 -44.728 1.00 42.00 ? 484 ALA B O 1 ATOM 8000 C CB . ALA B 1 484 ? -1.501 18.607 -43.962 1.00 39.67 ? 484 ALA B CB 1 ATOM 8001 N N . ARG B 1 485 ? -2.363 21.645 -43.673 1.00 41.58 ? 485 ARG B N 1 ATOM 8002 C CA . ARG B 1 485 ? -2.853 22.877 -44.279 1.00 43.35 ? 485 ARG B CA 1 ATOM 8003 C C . ARG B 1 485 ? -2.127 24.134 -43.792 1.00 48.84 ? 485 ARG B C 1 ATOM 8004 O O . ARG B 1 485 ? -1.905 25.052 -44.584 1.00 49.14 ? 485 ARG B O 1 ATOM 8005 C CB . ARG B 1 485 ? -4.372 23.053 -44.014 1.00 45.63 ? 485 ARG B CB 1 ATOM 8006 C CG . ARG B 1 485 ? -5.314 22.126 -44.784 1.00 63.57 ? 485 ARG B CG 1 ATOM 8007 C CD . ARG B 1 485 ? -6.800 22.454 -44.548 1.00 71.46 ? 485 ARG B CD 1 ATOM 8008 N NE . ARG B 1 485 ? -7.301 21.897 -43.284 1.00 71.72 ? 485 ARG B NE 1 ATOM 8009 C CZ . ARG B 1 485 ? -8.001 20.766 -43.170 1.00 81.00 ? 485 ARG B CZ 1 ATOM 8010 N NH1 . ARG B 1 485 ? -8.338 20.069 -44.254 1.00 59.29 ? 485 ARG B NH1 1 ATOM 8011 N NH2 . ARG B 1 485 ? -8.380 20.331 -41.970 1.00 59.83 ? 485 ARG B NH2 1 ATOM 8012 N N . THR B 1 486 ? -1.849 24.226 -42.474 1.00 45.54 ? 486 THR B N 1 ATOM 8013 C CA . THR B 1 486 ? -1.365 25.469 -41.876 1.00 46.05 ? 486 THR B CA 1 ATOM 8014 C C . THR B 1 486 ? -0.041 25.417 -41.110 1.00 49.88 ? 486 THR B C 1 ATOM 8015 O O . THR B 1 486 ? 0.475 26.465 -40.738 1.00 50.57 ? 486 THR B O 1 ATOM 8016 C CB . THR B 1 486 ? -2.456 26.005 -40.919 1.00 51.92 ? 486 THR B CB 1 ATOM 8017 O OG1 . THR B 1 486 ? -2.558 25.122 -39.806 1.00 45.57 ? 486 THR B OG1 1 ATOM 8018 C CG2 . THR B 1 486 ? -3.841 26.180 -41.590 1.00 50.14 ? 486 THR B CG2 1 ATOM 8019 N N . GLY B 1 487 ? 0.456 24.222 -40.821 1.00 43.72 ? 487 GLY B N 1 ATOM 8020 C CA . GLY B 1 487 ? 1.641 24.044 -39.992 1.00 41.63 ? 487 GLY B CA 1 ATOM 8021 C C . GLY B 1 487 ? 1.295 24.168 -38.527 1.00 42.65 ? 487 GLY B C 1 ATOM 8022 O O . GLY B 1 487 ? 2.188 24.299 -37.693 1.00 39.97 ? 487 GLY B O 1 ATOM 8023 N N . ASP B 1 488 ? -0.027 24.106 -38.212 1.00 39.69 ? 488 ASP B N 1 ATOM 8024 C CA . ASP B 1 488 ? -0.585 24.242 -36.869 1.00 37.60 ? 488 ASP B CA 1 ATOM 8025 C C . ASP B 1 488 ? -1.719 23.217 -36.709 1.00 41.07 ? 488 ASP B C 1 ATOM 8026 O O . ASP B 1 488 ? -2.693 23.303 -37.451 1.00 41.38 ? 488 ASP B O 1 ATOM 8027 C CB . ASP B 1 488 ? -1.099 25.681 -36.679 1.00 39.30 ? 488 ASP B CB 1 ATOM 8028 C CG . ASP B 1 488 ? -1.488 26.066 -35.259 1.00 44.94 ? 488 ASP B CG 1 ATOM 8029 O OD1 . ASP B 1 488 ? -1.810 25.170 -34.471 1.00 44.07 ? 488 ASP B OD1 1 ATOM 8030 O OD2 . ASP B 1 488 ? -1.481 27.275 -34.949 1.00 54.13 ? 488 ASP B OD2 1 ATOM 8031 N N . PRO B 1 489 ? -1.648 22.252 -35.752 1.00 37.67 ? 489 PRO B N 1 ATOM 8032 C CA . PRO B 1 489 ? -2.744 21.264 -35.630 1.00 39.13 ? 489 PRO B CA 1 ATOM 8033 C C . PRO B 1 489 ? -4.038 21.813 -35.036 1.00 47.18 ? 489 PRO B C 1 ATOM 8034 O O . PRO B 1 489 ? -5.069 21.144 -35.083 1.00 49.00 ? 489 PRO B O 1 ATOM 8035 C CB . PRO B 1 489 ? -2.132 20.173 -34.749 1.00 39.08 ? 489 PRO B CB 1 ATOM 8036 C CG . PRO B 1 489 ? -1.149 20.921 -33.877 1.00 41.82 ? 489 PRO B CG 1 ATOM 8037 C CD . PRO B 1 489 ? -0.574 21.981 -34.773 1.00 37.51 ? 489 PRO B CD 1 ATOM 8038 N N . ASN B 1 490 ? -3.981 23.022 -34.483 1.00 45.99 ? 490 ASN B N 1 ATOM 8039 C CA . ASN B 1 490 ? -5.119 23.666 -33.848 1.00 48.35 ? 490 ASN B CA 1 ATOM 8040 C C . ASN B 1 490 ? -6.188 24.047 -34.832 1.00 58.78 ? 490 ASN B C 1 ATOM 8041 O O . ASN B 1 490 ? -5.893 24.464 -35.958 1.00 58.03 ? 490 ASN B O 1 ATOM 8042 C CB . ASN B 1 490 ? -4.690 24.854 -32.989 1.00 41.83 ? 490 ASN B CB 1 ATOM 8043 C CG . ASN B 1 490 ? -3.900 24.424 -31.802 1.00 49.84 ? 490 ASN B CG 1 ATOM 8044 O OD1 . ASN B 1 490 ? -4.440 23.933 -30.811 1.00 47.57 ? 490 ASN B OD1 1 ATOM 8045 N ND2 . ASN B 1 490 ? -2.592 24.544 -31.889 1.00 42.20 ? 490 ASN B ND2 1 ATOM 8046 N N . ASP B 1 491 ? -7.438 23.873 -34.402 1.00 62.42 ? 491 ASP B N 1 ATOM 8047 C CA . ASP B 1 491 ? -8.609 24.160 -35.219 1.00 66.63 ? 491 ASP B CA 1 ATOM 8048 C C . ASP B 1 491 ? -9.004 25.635 -35.076 1.00 77.71 ? 491 ASP B C 1 ATOM 8049 O O . ASP B 1 491 ? -9.239 26.082 -33.942 1.00 76.25 ? 491 ASP B O 1 ATOM 8050 C CB . ASP B 1 491 ? -9.772 23.216 -34.815 1.00 69.42 ? 491 ASP B CB 1 ATOM 8051 C CG . ASP B 1 491 ? -10.936 23.112 -35.788 1.00 84.72 ? 491 ASP B CG 1 ATOM 8052 O OD1 . ASP B 1 491 ? -10.697 23.177 -37.021 1.00 86.80 ? 491 ASP B OD1 1 ATOM 8053 O OD2 . ASP B 1 491 ? -12.067 22.872 -35.328 1.00 92.96 ? 491 ASP B OD2 1 ATOM 8054 N N . PRO B 1 492 ? -9.114 26.395 -36.206 1.00 81.45 ? 492 PRO B N 1 ATOM 8055 C CA . PRO B 1 492 ? -9.564 27.808 -36.121 1.00 84.93 ? 492 PRO B CA 1 ATOM 8056 C C . PRO B 1 492 ? -11.060 27.974 -35.711 1.00 94.95 ? 492 PRO B C 1 ATOM 8057 O O . PRO B 1 492 ? -11.714 28.996 -35.979 1.00 96.92 ? 492 PRO B O 1 ATOM 8058 C CB . PRO B 1 492 ? -9.220 28.382 -37.511 1.00 86.92 ? 492 PRO B CB 1 ATOM 8059 C CG . PRO B 1 492 ? -8.429 27.284 -38.236 1.00 89.66 ? 492 PRO B CG 1 ATOM 8060 C CD . PRO B 1 492 ? -8.870 26.000 -37.609 1.00 84.10 ? 492 PRO B CD 1 ATOM 8061 N N . ARG B 1 493 ? -11.577 26.949 -34.995 1.00 93.39 ? 493 ARG B N 1 ATOM 8062 C CA . ARG B 1 493 ? -12.887 26.811 -34.363 1.00 95.46 ? 493 ARG B CA 1 ATOM 8063 C C . ARG B 1 493 ? -13.772 26.371 -33.163 1.00 100.03 ? 493 ARG B C 1 ATOM 8064 O O . ARG B 1 493 ? -14.764 27.058 -32.882 1.00 99.29 ? 493 ARG B O 1 ATOM 8065 C CB . ARG B 1 493 ? -13.789 25.876 -35.195 1.00 97.44 ? 493 ARG B CB 1 ATOM 8066 N N . ASP B 1 494 ? -13.410 25.259 -32.465 1.00 97.28 ? 494 ASP B N 1 ATOM 8067 C CA . ASP B 1 494 ? -13.364 24.558 -31.162 1.00 96.79 ? 494 ASP B CA 1 ATOM 8068 C C . ASP B 1 494 ? -12.523 25.263 -30.046 1.00 99.76 ? 494 ASP B C 1 ATOM 8069 O O . ASP B 1 494 ? -11.361 24.902 -29.813 1.00 98.20 ? 494 ASP B O 1 ATOM 8070 C CB . ASP B 1 494 ? -12.906 23.095 -31.358 1.00 97.11 ? 494 ASP B CB 1 ATOM 8071 C CG . ASP B 1 494 ? -12.995 22.179 -30.136 1.00 107.53 ? 494 ASP B CG 1 ATOM 8072 O OD1 . ASP B 1 494 ? -13.799 22.478 -29.213 1.00 109.03 ? 494 ASP B OD1 1 ATOM 8073 O OD2 . ASP B 1 494 ? -12.297 21.145 -30.122 1.00 112.42 ? 494 ASP B OD2 1 ATOM 8074 N N . SER B 1 495 ? -13.125 26.267 -29.372 1.00 96.59 ? 495 SER B N 1 ATOM 8075 C CA . SER B 1 495 ? -12.473 27.006 -28.282 1.00 95.52 ? 495 SER B CA 1 ATOM 8076 C C . SER B 1 495 ? -12.618 26.264 -26.944 1.00 98.46 ? 495 SER B C 1 ATOM 8077 O O . SER B 1 495 ? -11.901 26.586 -25.994 1.00 97.46 ? 495 SER B O 1 ATOM 8078 C CB . SER B 1 495 ? -13.018 28.432 -28.178 1.00 99.65 ? 495 SER B CB 1 ATOM 8079 O OG . SER B 1 495 ? -12.741 29.191 -29.344 1.00 106.99 ? 495 SER B OG 1 ATOM 8080 N N . LYS B 1 496 ? -13.550 25.277 -26.883 1.00 95.00 ? 496 LYS B N 1 ATOM 8081 C CA . LYS B 1 496 ? -13.870 24.431 -25.724 1.00 94.34 ? 496 LYS B CA 1 ATOM 8082 C C . LYS B 1 496 ? -12.695 23.525 -25.333 1.00 93.31 ? 496 LYS B C 1 ATOM 8083 O O . LYS B 1 496 ? -12.396 23.409 -24.142 1.00 92.79 ? 496 LYS B O 1 ATOM 8084 C CB . LYS B 1 496 ? -15.145 23.607 -26.000 1.00 98.79 ? 496 LYS B CB 1 ATOM 8085 C CG . LYS B 1 496 ? -15.865 23.089 -24.752 1.00 117.31 ? 496 LYS B CG 1 ATOM 8086 C CD . LYS B 1 496 ? -17.384 22.958 -24.957 1.00 132.01 ? 496 LYS B CD 1 ATOM 8087 C CE . LYS B 1 496 ? -17.824 21.711 -25.701 1.00 141.60 ? 496 LYS B CE 1 ATOM 8088 N NZ . LYS B 1 496 ? -19.302 21.667 -25.873 1.00 150.59 ? 496 LYS B NZ 1 ATOM 8089 N N . SER B 1 497 ? -12.033 22.892 -26.324 1.00 85.41 ? 497 SER B N 1 ATOM 8090 C CA . SER B 1 497 ? -10.867 22.033 -26.074 1.00 81.80 ? 497 SER B CA 1 ATOM 8091 C C . SER B 1 497 ? -9.622 22.909 -25.847 1.00 78.27 ? 497 SER B C 1 ATOM 8092 O O . SER B 1 497 ? -9.517 23.944 -26.518 1.00 77.04 ? 497 SER B O 1 ATOM 8093 C CB . SER B 1 497 ? -10.635 21.106 -27.257 1.00 87.04 ? 497 SER B CB 1 ATOM 8094 O OG . SER B 1 497 ? -10.290 21.847 -28.415 1.00 101.23 ? 497 SER B OG 1 ATOM 8095 N N . PRO B 1 498 ? -8.671 22.554 -24.933 1.00 69.62 ? 498 PRO B N 1 ATOM 8096 C CA . PRO B 1 498 ? -7.501 23.436 -24.741 1.00 66.55 ? 498 PRO B CA 1 ATOM 8097 C C . PRO B 1 498 ? -6.628 23.469 -26.003 1.00 61.92 ? 498 PRO B C 1 ATOM 8098 O O . PRO B 1 498 ? -6.624 22.477 -26.740 1.00 61.13 ? 498 PRO B O 1 ATOM 8099 C CB . PRO B 1 498 ? -6.768 22.822 -23.531 1.00 67.82 ? 498 PRO B CB 1 ATOM 8100 C CG . PRO B 1 498 ? -7.707 21.813 -22.947 1.00 73.55 ? 498 PRO B CG 1 ATOM 8101 C CD . PRO B 1 498 ? -8.594 21.361 -24.063 1.00 69.74 ? 498 PRO B CD 1 ATOM 8102 N N . GLN B 1 499 ? -5.919 24.603 -26.280 1.00 53.31 ? 499 GLN B N 1 ATOM 8103 C CA A GLN B 1 499 ? -5.032 24.736 -27.465 0.50 50.52 ? 499 GLN B CA 1 ATOM 8104 C CA B GLN B 1 499 ? -5.063 24.689 -27.476 0.50 50.96 ? 499 GLN B CA 1 ATOM 8105 C C . GLN B 1 499 ? -3.798 23.849 -27.293 1.00 49.25 ? 499 GLN B C 1 ATOM 8106 O O . GLN B 1 499 ? -3.324 23.673 -26.181 1.00 48.51 ? 499 GLN B O 1 ATOM 8107 C CB A GLN B 1 499 ? -4.580 26.213 -27.713 0.50 51.82 ? 499 GLN B CB 1 ATOM 8108 C CB B GLN B 1 499 ? -4.699 26.153 -27.855 0.50 52.83 ? 499 GLN B CB 1 ATOM 8109 C CG A GLN B 1 499 ? -5.440 27.030 -28.718 0.50 42.09 ? 499 GLN B CG 1 ATOM 8110 C CG B GLN B 1 499 ? -5.869 27.108 -28.171 0.50 54.32 ? 499 GLN B CG 1 ATOM 8111 C CD A GLN B 1 499 ? -4.884 27.288 -30.118 0.50 52.48 ? 499 GLN B CD 1 ATOM 8112 C CD B GLN B 1 499 ? -6.914 26.623 -29.155 0.50 56.78 ? 499 GLN B CD 1 ATOM 8113 O OE1 A GLN B 1 499 ? -5.656 27.365 -31.082 0.50 52.58 ? 499 GLN B OE1 1 ATOM 8114 O OE1 B GLN B 1 499 ? -7.978 26.126 -28.765 0.50 53.69 ? 499 GLN B OE1 1 ATOM 8115 N NE2 A GLN B 1 499 ? -3.570 27.527 -30.287 0.50 29.37 ? 499 GLN B NE2 1 ATOM 8116 N NE2 B GLN B 1 499 ? -6.695 26.858 -30.441 0.50 39.10 ? 499 GLN B NE2 1 ATOM 8117 N N . TRP B 1 500 ? -3.286 23.323 -28.375 1.00 43.02 ? 500 TRP B N 1 ATOM 8118 C CA . TRP B 1 500 ? -2.091 22.491 -28.426 1.00 39.87 ? 500 TRP B CA 1 ATOM 8119 C C . TRP B 1 500 ? -0.886 23.479 -28.594 1.00 41.65 ? 500 TRP B C 1 ATOM 8120 O O . TRP B 1 500 ? -0.743 24.115 -29.647 1.00 40.53 ? 500 TRP B O 1 ATOM 8121 C CB . TRP B 1 500 ? -2.222 21.539 -29.618 1.00 37.21 ? 500 TRP B CB 1 ATOM 8122 C CG . TRP B 1 500 ? -1.126 20.526 -29.773 1.00 36.24 ? 500 TRP B CG 1 ATOM 8123 C CD1 . TRP B 1 500 ? 0.149 20.590 -29.287 1.00 38.02 ? 500 TRP B CD1 1 ATOM 8124 C CD2 . TRP B 1 500 ? -1.210 19.316 -30.516 1.00 36.37 ? 500 TRP B CD2 1 ATOM 8125 N NE1 . TRP B 1 500 ? 0.860 19.486 -29.676 1.00 35.83 ? 500 TRP B NE1 1 ATOM 8126 C CE2 . TRP B 1 500 ? 0.062 18.704 -30.469 1.00 37.73 ? 500 TRP B CE2 1 ATOM 8127 C CE3 . TRP B 1 500 ? -2.250 18.677 -31.229 1.00 38.23 ? 500 TRP B CE3 1 ATOM 8128 C CZ2 . TRP B 1 500 ? 0.315 17.469 -31.066 1.00 36.55 ? 500 TRP B CZ2 1 ATOM 8129 C CZ3 . TRP B 1 500 ? -1.981 17.478 -31.864 1.00 38.89 ? 500 TRP B CZ3 1 ATOM 8130 C CH2 . TRP B 1 500 ? -0.712 16.884 -31.778 1.00 38.49 ? 500 TRP B CH2 1 ATOM 8131 N N . PRO B 1 501 ? -0.073 23.688 -27.547 1.00 37.48 ? 501 PRO B N 1 ATOM 8132 C CA . PRO B 1 501 ? 1.011 24.676 -27.660 1.00 37.23 ? 501 PRO B CA 1 ATOM 8133 C C . PRO B 1 501 ? 2.241 24.122 -28.362 1.00 40.86 ? 501 PRO B C 1 ATOM 8134 O O . PRO B 1 501 ? 2.493 22.915 -28.274 1.00 41.75 ? 501 PRO B O 1 ATOM 8135 C CB . PRO B 1 501 ? 1.310 25.031 -26.199 1.00 38.25 ? 501 PRO B CB 1 ATOM 8136 C CG . PRO B 1 501 ? 0.992 23.791 -25.448 1.00 41.37 ? 501 PRO B CG 1 ATOM 8137 C CD . PRO B 1 501 ? -0.081 23.050 -26.211 1.00 37.30 ? 501 PRO B CD 1 ATOM 8138 N N . PRO B 1 502 ? 3.029 24.961 -29.069 1.00 36.81 ? 502 PRO B N 1 ATOM 8139 C CA . PRO B 1 502 ? 4.270 24.443 -29.677 1.00 34.89 ? 502 PRO B CA 1 ATOM 8140 C C . PRO B 1 502 ? 5.245 23.960 -28.581 1.00 38.30 ? 502 PRO B C 1 ATOM 8141 O O . PRO B 1 502 ? 5.244 24.470 -27.458 1.00 36.05 ? 502 PRO B O 1 ATOM 8142 C CB . PRO B 1 502 ? 4.851 25.673 -30.397 1.00 36.60 ? 502 PRO B CB 1 ATOM 8143 C CG . PRO B 1 502 ? 3.707 26.610 -30.575 1.00 41.99 ? 502 PRO B CG 1 ATOM 8144 C CD . PRO B 1 502 ? 2.880 26.411 -29.323 1.00 38.38 ? 502 PRO B CD 1 ATOM 8145 N N . TYR B 1 503 ? 6.035 22.938 -28.907 1.00 37.15 ? 503 TYR B N 1 ATOM 8146 C CA . TYR B 1 503 ? 7.070 22.384 -28.056 1.00 36.42 ? 503 TYR B CA 1 ATOM 8147 C C . TYR B 1 503 ? 8.253 23.351 -28.143 1.00 40.53 ? 503 TYR B C 1 ATOM 8148 O O . TYR B 1 503 ? 8.647 23.750 -29.236 1.00 39.11 ? 503 TYR B O 1 ATOM 8149 C CB . TYR B 1 503 ? 7.485 20.984 -28.560 1.00 36.37 ? 503 TYR B CB 1 ATOM 8150 C CG . TYR B 1 503 ? 8.580 20.365 -27.714 1.00 36.42 ? 503 TYR B CG 1 ATOM 8151 C CD1 . TYR B 1 503 ? 9.923 20.586 -28.007 1.00 37.47 ? 503 TYR B CD1 1 ATOM 8152 C CD2 . TYR B 1 503 ? 8.273 19.590 -26.598 1.00 36.95 ? 503 TYR B CD2 1 ATOM 8153 C CE1 . TYR B 1 503 ? 10.933 20.063 -27.200 1.00 37.83 ? 503 TYR B CE1 1 ATOM 8154 C CE2 . TYR B 1 503 ? 9.274 19.037 -25.804 1.00 37.01 ? 503 TYR B CE2 1 ATOM 8155 C CZ . TYR B 1 503 ? 10.600 19.289 -26.099 1.00 42.58 ? 503 TYR B CZ 1 ATOM 8156 O OH . TYR B 1 503 ? 11.576 18.734 -25.317 1.00 47.86 ? 503 TYR B OH 1 ATOM 8157 N N . THR B 1 504 ? 8.802 23.738 -26.990 1.00 39.47 ? 504 THR B N 1 ATOM 8158 C CA . THR B 1 504 ? 9.938 24.670 -26.900 1.00 39.93 ? 504 THR B CA 1 ATOM 8159 C C . THR B 1 504 ? 10.970 24.078 -25.942 1.00 45.41 ? 504 THR B C 1 ATOM 8160 O O . THR B 1 504 ? 10.611 23.288 -25.076 1.00 43.66 ? 504 THR B O 1 ATOM 8161 C CB . THR B 1 504 ? 9.469 26.057 -26.374 1.00 41.25 ? 504 THR B CB 1 ATOM 8162 O OG1 . THR B 1 504 ? 8.865 25.871 -25.097 1.00 41.57 ? 504 THR B OG1 1 ATOM 8163 C CG2 . THR B 1 504 ? 8.471 26.759 -27.324 1.00 38.79 ? 504 THR B CG2 1 ATOM 8164 N N . THR B 1 505 ? 12.237 24.472 -26.066 1.00 45.17 ? 505 THR B N 1 ATOM 8165 C CA . THR B 1 505 ? 13.265 23.993 -25.126 1.00 45.41 ? 505 THR B CA 1 ATOM 8166 C C . THR B 1 505 ? 12.984 24.489 -23.696 1.00 49.91 ? 505 THR B C 1 ATOM 8167 O O . THR B 1 505 ? 13.223 23.752 -22.751 1.00 47.64 ? 505 THR B O 1 ATOM 8168 C CB . THR B 1 505 ? 14.703 24.328 -25.606 1.00 46.79 ? 505 THR B CB 1 ATOM 8169 O OG1 . THR B 1 505 ? 14.856 25.731 -25.750 1.00 49.32 ? 505 THR B OG1 1 ATOM 8170 C CG2 . THR B 1 505 ? 15.043 23.656 -26.921 1.00 42.14 ? 505 THR B CG2 1 ATOM 8171 N N . ALA B 1 506 ? 12.416 25.704 -23.556 1.00 49.25 ? 506 ALA B N 1 ATOM 8172 C CA . ALA B 1 506 ? 12.101 26.301 -22.261 1.00 50.91 ? 506 ALA B CA 1 ATOM 8173 C C . ALA B 1 506 ? 10.945 25.614 -21.520 1.00 55.64 ? 506 ALA B C 1 ATOM 8174 O O . ALA B 1 506 ? 11.128 25.238 -20.357 1.00 58.08 ? 506 ALA B O 1 ATOM 8175 C CB . ALA B 1 506 ? 11.800 27.783 -22.432 1.00 52.50 ? 506 ALA B CB 1 ATOM 8176 N N . ALA B 1 507 ? 9.756 25.482 -22.161 1.00 46.74 ? 507 ALA B N 1 ATOM 8177 C CA . ALA B 1 507 ? 8.571 24.929 -21.509 1.00 44.78 ? 507 ALA B CA 1 ATOM 8178 C C . ALA B 1 507 ? 8.386 23.442 -21.713 1.00 45.46 ? 507 ALA B C 1 ATOM 8179 O O . ALA B 1 507 ? 7.696 22.820 -20.911 1.00 45.45 ? 507 ALA B O 1 ATOM 8180 C CB . ALA B 1 507 ? 7.321 25.695 -21.938 1.00 46.03 ? 507 ALA B CB 1 ATOM 8181 N N . GLN B 1 508 ? 8.961 22.874 -22.797 1.00 40.37 ? 508 GLN B N 1 ATOM 8182 C CA . GLN B 1 508 ? 8.890 21.446 -23.138 1.00 39.12 ? 508 GLN B CA 1 ATOM 8183 C C . GLN B 1 508 ? 7.444 20.884 -23.152 1.00 40.86 ? 508 GLN B C 1 ATOM 8184 O O . GLN B 1 508 ? 7.190 19.757 -22.706 1.00 36.54 ? 508 GLN B O 1 ATOM 8185 C CB . GLN B 1 508 ? 9.812 20.642 -22.211 1.00 40.57 ? 508 GLN B CB 1 ATOM 8186 C CG . GLN B 1 508 ? 11.282 21.095 -22.242 1.00 43.91 ? 508 GLN B CG 1 ATOM 8187 C CD . GLN B 1 508 ? 12.097 20.380 -21.185 1.00 54.28 ? 508 GLN B CD 1 ATOM 8188 O OE1 . GLN B 1 508 ? 12.139 19.143 -21.117 1.00 44.81 ? 508 GLN B OE1 1 ATOM 8189 N NE2 . GLN B 1 508 ? 12.748 21.142 -20.321 1.00 44.85 ? 508 GLN B NE2 1 ATOM 8190 N N . GLN B 1 509 ? 6.496 21.687 -23.679 1.00 38.20 ? 509 GLN B N 1 ATOM 8191 C CA . GLN B 1 509 ? 5.088 21.293 -23.714 1.00 36.91 ? 509 GLN B CA 1 ATOM 8192 C C . GLN B 1 509 ? 4.729 20.329 -24.832 1.00 39.30 ? 509 GLN B C 1 ATOM 8193 O O . GLN B 1 509 ? 5.131 20.508 -25.981 1.00 39.76 ? 509 GLN B O 1 ATOM 8194 C CB . GLN B 1 509 ? 4.173 22.520 -23.761 1.00 37.72 ? 509 GLN B CB 1 ATOM 8195 C CG . GLN B 1 509 ? 4.212 23.366 -22.501 1.00 37.83 ? 509 GLN B CG 1 ATOM 8196 C CD . GLN B 1 509 ? 3.606 24.714 -22.750 1.00 45.92 ? 509 GLN B CD 1 ATOM 8197 O OE1 . GLN B 1 509 ? 4.132 25.535 -23.510 1.00 44.38 ? 509 GLN B OE1 1 ATOM 8198 N NE2 . GLN B 1 509 ? 2.500 24.972 -22.107 1.00 43.04 ? 509 GLN B NE2 1 ATOM 8199 N N . TYR B 1 510 ? 3.953 19.307 -24.481 1.00 35.12 ? 510 TYR B N 1 ATOM 8200 C CA . TYR B 1 510 ? 3.420 18.292 -25.387 1.00 34.51 ? 510 TYR B CA 1 ATOM 8201 C C . TYR B 1 510 ? 2.001 17.948 -24.929 1.00 38.46 ? 510 TYR B C 1 ATOM 8202 O O . TYR B 1 510 ? 1.601 18.351 -23.844 1.00 38.79 ? 510 TYR B O 1 ATOM 8203 C CB . TYR B 1 510 ? 4.332 17.057 -25.485 1.00 34.95 ? 510 TYR B CB 1 ATOM 8204 C CG . TYR B 1 510 ? 4.406 16.236 -24.221 1.00 36.99 ? 510 TYR B CG 1 ATOM 8205 C CD1 . TYR B 1 510 ? 5.209 16.634 -23.153 1.00 38.44 ? 510 TYR B CD1 1 ATOM 8206 C CD2 . TYR B 1 510 ? 3.711 15.037 -24.106 1.00 37.58 ? 510 TYR B CD2 1 ATOM 8207 C CE1 . TYR B 1 510 ? 5.267 15.895 -21.981 1.00 38.19 ? 510 TYR B CE1 1 ATOM 8208 C CE2 . TYR B 1 510 ? 3.776 14.279 -22.939 1.00 38.93 ? 510 TYR B CE2 1 ATOM 8209 C CZ . TYR B 1 510 ? 4.578 14.701 -21.891 1.00 42.48 ? 510 TYR B CZ 1 ATOM 8210 O OH . TYR B 1 510 ? 4.670 13.961 -20.747 1.00 43.92 ? 510 TYR B OH 1 ATOM 8211 N N . VAL B 1 511 ? 1.221 17.271 -25.772 1.00 35.25 ? 511 VAL B N 1 ATOM 8212 C CA . VAL B 1 511 ? -0.158 16.952 -25.401 1.00 34.93 ? 511 VAL B CA 1 ATOM 8213 C C . VAL B 1 511 ? -0.383 15.457 -25.361 1.00 39.74 ? 511 VAL B C 1 ATOM 8214 O O . VAL B 1 511 ? 0.285 14.706 -26.083 1.00 37.42 ? 511 VAL B O 1 ATOM 8215 C CB . VAL B 1 511 ? -1.218 17.640 -26.315 1.00 37.08 ? 511 VAL B CB 1 ATOM 8216 C CG1 . VAL B 1 511 ? -1.138 19.175 -26.244 1.00 36.07 ? 511 VAL B CG1 1 ATOM 8217 C CG2 . VAL B 1 511 ? -1.121 17.132 -27.750 1.00 35.78 ? 511 VAL B CG2 1 ATOM 8218 N N . SER B 1 512 ? -1.384 15.041 -24.585 1.00 37.56 ? 512 SER B N 1 ATOM 8219 C CA . SER B 1 512 ? -1.804 13.647 -24.544 1.00 37.62 ? 512 SER B CA 1 ATOM 8220 C C . SER B 1 512 ? -2.938 13.476 -25.546 1.00 41.79 ? 512 SER B C 1 ATOM 8221 O O . SER B 1 512 ? -3.887 14.282 -25.566 1.00 41.08 ? 512 SER B O 1 ATOM 8222 C CB . SER B 1 512 ? -2.278 13.252 -23.149 1.00 41.35 ? 512 SER B CB 1 ATOM 8223 O OG . SER B 1 512 ? -3.253 14.165 -22.675 1.00 48.96 ? 512 SER B OG 1 ATOM 8224 N N . LEU B 1 513 ? -2.819 12.443 -26.405 1.00 37.03 ? 513 LEU B N 1 ATOM 8225 C CA . LEU B 1 513 ? -3.844 12.111 -27.385 1.00 37.41 ? 513 LEU B CA 1 ATOM 8226 C C . LEU B 1 513 ? -4.506 10.841 -26.878 1.00 43.80 ? 513 LEU B C 1 ATOM 8227 O O . LEU B 1 513 ? -3.892 9.769 -26.872 1.00 43.86 ? 513 LEU B O 1 ATOM 8228 C CB . LEU B 1 513 ? -3.244 11.906 -28.794 1.00 36.34 ? 513 LEU B CB 1 ATOM 8229 C CG . LEU B 1 513 ? -2.535 13.109 -29.467 1.00 37.37 ? 513 LEU B CG 1 ATOM 8230 C CD1 . LEU B 1 513 ? -2.089 12.733 -30.890 1.00 33.81 ? 513 LEU B CD1 1 ATOM 8231 C CD2 . LEU B 1 513 ? -3.464 14.323 -29.557 1.00 38.02 ? 513 LEU B CD2 1 ATOM 8232 N N . ASN B 1 514 ? -5.723 10.981 -26.368 1.00 42.82 ? 514 ASN B N 1 ATOM 8233 C CA . ASN B 1 514 ? -6.532 9.892 -25.827 1.00 43.51 ? 514 ASN B CA 1 ATOM 8234 C C . ASN B 1 514 ? -8.012 10.256 -25.920 1.00 49.82 ? 514 ASN B C 1 ATOM 8235 O O . ASN B 1 514 ? -8.335 11.283 -26.515 1.00 48.17 ? 514 ASN B O 1 ATOM 8236 C CB . ASN B 1 514 ? -6.084 9.508 -24.399 1.00 39.83 ? 514 ASN B CB 1 ATOM 8237 C CG . ASN B 1 514 ? -6.060 10.632 -23.391 1.00 55.79 ? 514 ASN B CG 1 ATOM 8238 O OD1 . ASN B 1 514 ? -6.968 11.454 -23.319 1.00 49.01 ? 514 ASN B OD1 1 ATOM 8239 N ND2 . ASN B 1 514 ? -5.026 10.674 -22.562 1.00 45.93 ? 514 ASN B ND2 1 ATOM 8240 N N . LEU B 1 515 ? -8.911 9.444 -25.341 1.00 50.41 ? 515 LEU B N 1 ATOM 8241 C CA . LEU B 1 515 ? -10.354 9.707 -25.435 1.00 52.69 ? 515 LEU B CA 1 ATOM 8242 C C . LEU B 1 515 ? -10.793 10.988 -24.711 1.00 56.32 ? 515 LEU B C 1 ATOM 8243 O O . LEU B 1 515 ? -11.814 11.561 -25.073 1.00 57.95 ? 515 LEU B O 1 ATOM 8244 C CB . LEU B 1 515 ? -11.196 8.498 -24.994 1.00 54.33 ? 515 LEU B CB 1 ATOM 8245 C CG . LEU B 1 515 ? -10.981 7.171 -25.743 1.00 58.53 ? 515 LEU B CG 1 ATOM 8246 C CD1 . LEU B 1 515 ? -11.876 6.071 -25.157 1.00 60.11 ? 515 LEU B CD1 1 ATOM 8247 C CD2 . LEU B 1 515 ? -11.256 7.297 -27.252 1.00 58.71 ? 515 LEU B CD2 1 ATOM 8248 N N . LYS B 1 516 ? -9.994 11.470 -23.754 1.00 52.43 ? 516 LYS B N 1 ATOM 8249 C CA . LYS B 1 516 ? -10.296 12.706 -23.020 1.00 52.07 ? 516 LYS B CA 1 ATOM 8250 C C . LYS B 1 516 ? -9.866 13.929 -23.863 1.00 54.46 ? 516 LYS B C 1 ATOM 8251 O O . LYS B 1 516 ? -8.993 13.775 -24.723 1.00 52.52 ? 516 LYS B O 1 ATOM 8252 C CB . LYS B 1 516 ? -9.561 12.721 -21.666 1.00 52.30 ? 516 LYS B CB 1 ATOM 8253 C CG . LYS B 1 516 ? -9.973 11.612 -20.713 1.00 62.27 ? 516 LYS B CG 1 ATOM 8254 C CD . LYS B 1 516 ? -9.478 11.882 -19.286 1.00 72.83 ? 516 LYS B CD 1 ATOM 8255 C CE . LYS B 1 516 ? -8.145 11.241 -18.967 1.00 84.47 ? 516 LYS B CE 1 ATOM 8256 N NZ . LYS B 1 516 ? -7.811 11.342 -17.518 1.00 97.90 ? 516 LYS B NZ 1 ATOM 8257 N N . PRO B 1 517 ? -10.411 15.153 -23.630 1.00 51.41 ? 517 PRO B N 1 ATOM 8258 C CA . PRO B 1 517 ? -9.903 16.333 -24.369 1.00 50.34 ? 517 PRO B CA 1 ATOM 8259 C C . PRO B 1 517 ? -8.391 16.526 -24.146 1.00 51.45 ? 517 PRO B C 1 ATOM 8260 O O . PRO B 1 517 ? -7.878 16.083 -23.102 1.00 49.03 ? 517 PRO B O 1 ATOM 8261 C CB . PRO B 1 517 ? -10.692 17.500 -23.742 1.00 52.78 ? 517 PRO B CB 1 ATOM 8262 C CG . PRO B 1 517 ? -11.926 16.866 -23.187 1.00 57.83 ? 517 PRO B CG 1 ATOM 8263 C CD . PRO B 1 517 ? -11.446 15.552 -22.647 1.00 53.64 ? 517 PRO B CD 1 ATOM 8264 N N . LEU B 1 518 ? -7.677 17.162 -25.114 1.00 46.10 ? 518 LEU B N 1 ATOM 8265 C CA . LEU B 1 518 ? -6.223 17.388 -25.009 1.00 45.50 ? 518 LEU B CA 1 ATOM 8266 C C . LEU B 1 518 ? -5.838 17.914 -23.639 1.00 48.28 ? 518 LEU B C 1 ATOM 8267 O O . LEU B 1 518 ? -6.511 18.795 -23.101 1.00 47.14 ? 518 LEU B O 1 ATOM 8268 C CB . LEU B 1 518 ? -5.709 18.491 -25.970 1.00 45.24 ? 518 LEU B CB 1 ATOM 8269 C CG . LEU B 1 518 ? -5.567 18.316 -27.438 1.00 49.52 ? 518 LEU B CG 1 ATOM 8270 C CD1 . LEU B 1 518 ? -4.939 19.560 -28.026 1.00 48.26 ? 518 LEU B CD1 1 ATOM 8271 C CD2 . LEU B 1 518 ? -4.679 17.150 -27.787 1.00 51.08 ? 518 LEU B CD2 1 ATOM 8272 N N . GLU B 1 519 ? -4.725 17.406 -23.115 1.00 44.05 ? 519 GLU B N 1 ATOM 8273 C CA A GLU B 1 519 ? -4.144 17.834 -21.843 0.50 43.67 ? 519 GLU B CA 1 ATOM 8274 C CA B GLU B 1 519 ? -4.149 17.880 -21.859 0.50 43.92 ? 519 GLU B CA 1 ATOM 8275 C C . GLU B 1 519 ? -2.698 18.213 -22.149 1.00 46.10 ? 519 GLU B C 1 ATOM 8276 O O . GLU B 1 519 ? -2.026 17.474 -22.862 1.00 45.23 ? 519 GLU B O 1 ATOM 8277 C CB A GLU B 1 519 ? -4.216 16.681 -20.824 0.50 45.26 ? 519 GLU B CB 1 ATOM 8278 C CB B GLU B 1 519 ? -4.282 16.848 -20.725 0.50 45.84 ? 519 GLU B CB 1 ATOM 8279 C CG A GLU B 1 519 ? -3.311 16.796 -19.608 0.50 49.14 ? 519 GLU B CG 1 ATOM 8280 C CG B GLU B 1 519 ? -5.676 16.821 -20.117 0.50 55.51 ? 519 GLU B CG 1 ATOM 8281 C CD A GLU B 1 519 ? -3.307 15.564 -18.723 0.50 57.75 ? 519 GLU B CD 1 ATOM 8282 C CD B GLU B 1 519 ? -5.875 15.988 -18.863 0.50 67.42 ? 519 GLU B CD 1 ATOM 8283 O OE1 A GLU B 1 519 ? -4.408 15.048 -18.421 0.50 51.90 ? 519 GLU B OE1 1 ATOM 8284 O OE1 B GLU B 1 519 ? -5.183 16.259 -17.856 0.50 73.75 ? 519 GLU B OE1 1 ATOM 8285 O OE2 A GLU B 1 519 ? -2.209 15.122 -18.315 0.50 37.22 ? 519 GLU B OE2 1 ATOM 8286 O OE2 B GLU B 1 519 ? -6.775 15.117 -18.860 0.50 47.98 ? 519 GLU B OE2 1 ATOM 8287 N N . VAL B 1 520 ? -2.235 19.358 -21.652 1.00 43.10 ? 520 VAL B N 1 ATOM 8288 C CA . VAL B 1 520 ? -0.866 19.822 -21.862 1.00 41.55 ? 520 VAL B CA 1 ATOM 8289 C C . VAL B 1 520 ? 0.021 19.277 -20.733 1.00 44.43 ? 520 VAL B C 1 ATOM 8290 O O . VAL B 1 520 ? -0.315 19.424 -19.574 1.00 44.05 ? 520 VAL B O 1 ATOM 8291 C CB . VAL B 1 520 ? -0.791 21.375 -21.969 1.00 44.61 ? 520 VAL B CB 1 ATOM 8292 C CG1 . VAL B 1 520 ? 0.650 21.858 -22.154 1.00 43.32 ? 520 VAL B CG1 1 ATOM 8293 C CG2 . VAL B 1 520 ? -1.678 21.890 -23.098 1.00 44.24 ? 520 VAL B CG2 1 ATOM 8294 N N . ARG B 1 521 ? 1.125 18.627 -21.089 1.00 40.94 ? 521 ARG B N 1 ATOM 8295 C CA . ARG B 1 521 ? 2.105 18.113 -20.128 1.00 40.16 ? 521 ARG B CA 1 ATOM 8296 C C . ARG B 1 521 ? 3.444 18.760 -20.451 1.00 42.21 ? 521 ARG B C 1 ATOM 8297 O O . ARG B 1 521 ? 3.629 19.281 -21.554 1.00 40.54 ? 521 ARG B O 1 ATOM 8298 C CB . ARG B 1 521 ? 2.190 16.583 -20.198 1.00 41.13 ? 521 ARG B CB 1 ATOM 8299 C CG . ARG B 1 521 ? 0.887 15.889 -19.811 1.00 44.78 ? 521 ARG B CG 1 ATOM 8300 C CD . ARG B 1 521 ? 0.990 14.390 -19.931 1.00 44.54 ? 521 ARG B CD 1 ATOM 8301 N NE . ARG B 1 521 ? -0.331 13.769 -19.841 1.00 46.47 ? 521 ARG B NE 1 ATOM 8302 C CZ . ARG B 1 521 ? -0.579 12.496 -20.122 1.00 56.12 ? 521 ARG B CZ 1 ATOM 8303 N NH1 . ARG B 1 521 ? 0.399 11.695 -20.528 1.00 41.52 ? 521 ARG B NH1 1 ATOM 8304 N NH2 . ARG B 1 521 ? -1.811 12.017 -20.021 1.00 46.00 ? 521 ARG B NH2 1 ATOM 8305 N N . ARG B 1 522 ? 4.349 18.788 -19.485 1.00 38.33 ? 522 ARG B N 1 ATOM 8306 C CA . ARG B 1 522 ? 5.653 19.422 -19.646 1.00 38.50 ? 522 ARG B CA 1 ATOM 8307 C C . ARG B 1 522 ? 6.757 18.413 -19.393 1.00 44.25 ? 522 ARG B C 1 ATOM 8308 O O . ARG B 1 522 ? 6.709 17.696 -18.394 1.00 44.53 ? 522 ARG B O 1 ATOM 8309 C CB . ARG B 1 522 ? 5.782 20.625 -18.693 1.00 37.33 ? 522 ARG B CB 1 ATOM 8310 C CG . ARG B 1 522 ? 4.978 21.826 -19.187 1.00 45.87 ? 522 ARG B CG 1 ATOM 8311 C CD . ARG B 1 522 ? 5.038 23.013 -18.249 1.00 48.05 ? 522 ARG B CD 1 ATOM 8312 N NE . ARG B 1 522 ? 6.368 23.630 -18.213 1.00 51.83 ? 522 ARG B NE 1 ATOM 8313 C CZ . ARG B 1 522 ? 6.637 24.778 -17.602 1.00 57.09 ? 522 ARG B CZ 1 ATOM 8314 N NH1 . ARG B 1 522 ? 5.668 25.474 -17.031 1.00 36.39 ? 522 ARG B NH1 1 ATOM 8315 N NH2 . ARG B 1 522 ? 7.874 25.255 -17.588 1.00 43.92 ? 522 ARG B NH2 1 ATOM 8316 N N . GLY B 1 523 ? 7.715 18.344 -20.314 1.00 40.18 ? 523 GLY B N 1 ATOM 8317 C CA . GLY B 1 523 ? 8.857 17.453 -20.193 1.00 40.00 ? 523 GLY B CA 1 ATOM 8318 C C . GLY B 1 523 ? 8.514 16.054 -20.630 1.00 45.62 ? 523 GLY B C 1 ATOM 8319 O O . GLY B 1 523 ? 7.736 15.375 -19.972 1.00 46.14 ? 523 GLY B O 1 ATOM 8320 N N . LEU B 1 524 ? 9.080 15.625 -21.749 1.00 43.20 ? 524 LEU B N 1 ATOM 8321 C CA . LEU B 1 524 ? 8.848 14.286 -22.286 1.00 44.48 ? 524 LEU B CA 1 ATOM 8322 C C . LEU B 1 524 ? 9.914 13.367 -21.685 1.00 47.81 ? 524 LEU B C 1 ATOM 8323 O O . LEU B 1 524 ? 11.055 13.365 -22.154 1.00 47.67 ? 524 LEU B O 1 ATOM 8324 C CB . LEU B 1 524 ? 8.937 14.353 -23.836 1.00 44.56 ? 524 LEU B CB 1 ATOM 8325 C CG . LEU B 1 524 ? 8.585 13.097 -24.613 1.00 50.79 ? 524 LEU B CG 1 ATOM 8326 C CD1 . LEU B 1 524 ? 7.146 12.671 -24.364 1.00 51.49 ? 524 LEU B CD1 1 ATOM 8327 C CD2 . LEU B 1 524 ? 8.792 13.321 -26.117 1.00 54.14 ? 524 LEU B CD2 1 ATOM 8328 N N . ARG B 1 525 ? 9.571 12.666 -20.580 1.00 45.35 ? 525 ARG B N 1 ATOM 8329 C CA . ARG B 1 525 ? 10.473 11.775 -19.804 1.00 44.86 ? 525 ARG B CA 1 ATOM 8330 C C . ARG B 1 525 ? 11.790 12.536 -19.584 1.00 44.61 ? 525 ARG B C 1 ATOM 8331 O O . ARG B 1 525 ? 12.859 12.029 -19.916 1.00 39.74 ? 525 ARG B O 1 ATOM 8332 C CB . ARG B 1 525 ? 10.732 10.440 -20.568 1.00 47.21 ? 525 ARG B CB 1 ATOM 8333 C CG . ARG B 1 525 ? 9.492 9.755 -21.094 1.00 59.09 ? 525 ARG B CG 1 ATOM 8334 C CD . ARG B 1 525 ? 9.088 8.551 -20.276 1.00 69.92 ? 525 ARG B CD 1 ATOM 8335 N NE . ARG B 1 525 ? 7.749 8.100 -20.661 1.00 79.00 ? 525 ARG B NE 1 ATOM 8336 C CZ . ARG B 1 525 ? 7.481 6.907 -21.179 1.00 88.35 ? 525 ARG B CZ 1 ATOM 8337 N NH1 . ARG B 1 525 ? 8.451 6.018 -21.348 1.00 53.53 ? 525 ARG B NH1 1 ATOM 8338 N NH2 . ARG B 1 525 ? 6.234 6.583 -21.508 1.00 86.19 ? 525 ARG B NH2 1 ATOM 8339 N N . ALA B 1 526 ? 11.697 13.803 -19.126 1.00 42.20 ? 526 ALA B N 1 ATOM 8340 C CA . ALA B 1 526 ? 12.850 14.699 -19.011 1.00 41.89 ? 526 ALA B CA 1 ATOM 8341 C C . ALA B 1 526 ? 14.045 14.113 -18.246 1.00 44.28 ? 526 ALA B C 1 ATOM 8342 O O . ALA B 1 526 ? 15.159 14.174 -18.766 1.00 43.32 ? 526 ALA B O 1 ATOM 8343 C CB . ALA B 1 526 ? 12.431 16.048 -18.420 1.00 42.56 ? 526 ALA B CB 1 ATOM 8344 N N . GLN B 1 527 ? 13.833 13.559 -17.028 1.00 40.30 ? 527 GLN B N 1 ATOM 8345 C CA . GLN B 1 527 ? 14.918 12.980 -16.202 1.00 38.98 ? 527 GLN B CA 1 ATOM 8346 C C . GLN B 1 527 ? 15.534 11.772 -16.889 1.00 41.06 ? 527 GLN B C 1 ATOM 8347 O O . GLN B 1 527 ? 16.748 11.720 -17.047 1.00 40.73 ? 527 GLN B O 1 ATOM 8348 C CB . GLN B 1 527 ? 14.444 12.584 -14.772 1.00 40.24 ? 527 GLN B CB 1 ATOM 8349 C CG . GLN B 1 527 ? 14.204 13.739 -13.796 1.00 51.46 ? 527 GLN B CG 1 ATOM 8350 C CD . GLN B 1 527 ? 15.254 14.833 -13.811 1.00 59.33 ? 527 GLN B CD 1 ATOM 8351 O OE1 . GLN B 1 527 ? 15.023 15.919 -14.344 1.00 53.53 ? 527 GLN B OE1 1 ATOM 8352 N NE2 . GLN B 1 527 ? 16.409 14.605 -13.187 1.00 47.46 ? 527 GLN B NE2 1 ATOM 8353 N N . THR B 1 528 ? 14.704 10.816 -17.317 1.00 38.36 ? 528 THR B N 1 ATOM 8354 C CA . THR B 1 528 ? 15.149 9.603 -18.006 1.00 38.36 ? 528 THR B CA 1 ATOM 8355 C C . THR B 1 528 ? 15.827 9.915 -19.334 1.00 42.80 ? 528 THR B C 1 ATOM 8356 O O . THR B 1 528 ? 16.848 9.301 -19.643 1.00 43.55 ? 528 THR B O 1 ATOM 8357 C CB . THR B 1 528 ? 13.991 8.613 -18.124 1.00 48.91 ? 528 THR B CB 1 ATOM 8358 O OG1 . THR B 1 528 ? 13.694 8.132 -16.813 1.00 54.14 ? 528 THR B OG1 1 ATOM 8359 C CG2 . THR B 1 528 ? 14.297 7.438 -19.036 1.00 44.07 ? 528 THR B CG2 1 ATOM 8360 N N . CYS B 1 529 ? 15.312 10.877 -20.108 1.00 38.77 ? 529 CYS B N 1 ATOM 8361 C CA . CYS B 1 529 ? 15.957 11.160 -21.376 1.00 38.34 ? 529 CYS B CA 1 ATOM 8362 C C . CYS B 1 529 ? 17.270 11.937 -21.197 1.00 41.33 ? 529 CYS B C 1 ATOM 8363 O O . CYS B 1 529 ? 18.147 11.761 -22.023 1.00 39.03 ? 529 CYS B O 1 ATOM 8364 C CB . CYS B 1 529 ? 15.002 11.785 -22.388 1.00 38.52 ? 529 CYS B CB 1 ATOM 8365 S SG . CYS B 1 529 ? 13.721 10.621 -22.959 1.00 42.92 ? 529 CYS B SG 1 ATOM 8366 N N . ALA B 1 530 ? 17.494 12.607 -20.044 1.00 40.14 ? 530 ALA B N 1 ATOM 8367 C CA . ALA B 1 530 ? 18.802 13.220 -19.754 1.00 40.56 ? 530 ALA B CA 1 ATOM 8368 C C . ALA B 1 530 ? 19.828 12.084 -19.545 1.00 44.71 ? 530 ALA B C 1 ATOM 8369 O O . ALA B 1 530 ? 20.989 12.214 -19.937 1.00 43.50 ? 530 ALA B O 1 ATOM 8370 C CB . ALA B 1 530 ? 18.731 14.090 -18.496 1.00 41.77 ? 530 ALA B CB 1 ATOM 8371 N N . PHE B 1 531 ? 19.383 10.965 -18.934 1.00 42.22 ? 531 PHE B N 1 ATOM 8372 C CA . PHE B 1 531 ? 20.199 9.768 -18.742 1.00 41.24 ? 531 PHE B CA 1 ATOM 8373 C C . PHE B 1 531 ? 20.670 9.217 -20.114 1.00 43.85 ? 531 PHE B C 1 ATOM 8374 O O . PHE B 1 531 ? 21.865 9.026 -20.301 1.00 44.65 ? 531 PHE B O 1 ATOM 8375 C CB . PHE B 1 531 ? 19.431 8.703 -17.931 1.00 41.87 ? 531 PHE B CB 1 ATOM 8376 C CG . PHE B 1 531 ? 20.087 7.348 -17.939 1.00 43.45 ? 531 PHE B CG 1 ATOM 8377 C CD1 . PHE B 1 531 ? 21.205 7.092 -17.141 1.00 47.33 ? 531 PHE B CD1 1 ATOM 8378 C CD2 . PHE B 1 531 ? 19.607 6.329 -18.762 1.00 45.01 ? 531 PHE B CD2 1 ATOM 8379 C CE1 . PHE B 1 531 ? 21.822 5.838 -17.167 1.00 49.87 ? 531 PHE B CE1 1 ATOM 8380 C CE2 . PHE B 1 531 ? 20.230 5.079 -18.792 1.00 47.93 ? 531 PHE B CE2 1 ATOM 8381 C CZ . PHE B 1 531 ? 21.335 4.843 -18.003 1.00 47.69 ? 531 PHE B CZ 1 ATOM 8382 N N . TRP B 1 532 ? 19.735 8.960 -21.044 1.00 40.98 ? 532 TRP B N 1 ATOM 8383 C CA . TRP B 1 532 ? 20.031 8.433 -22.379 1.00 41.00 ? 532 TRP B CA 1 ATOM 8384 C C . TRP B 1 532 ? 20.779 9.428 -23.275 1.00 46.11 ? 532 TRP B C 1 ATOM 8385 O O . TRP B 1 532 ? 21.756 9.048 -23.897 1.00 45.80 ? 532 TRP B O 1 ATOM 8386 C CB . TRP B 1 532 ? 18.745 7.972 -23.097 1.00 38.96 ? 532 TRP B CB 1 ATOM 8387 C CG . TRP B 1 532 ? 18.106 6.756 -22.488 1.00 39.92 ? 532 TRP B CG 1 ATOM 8388 C CD1 . TRP B 1 532 ? 16.997 6.726 -21.696 1.00 42.58 ? 532 TRP B CD1 1 ATOM 8389 C CD2 . TRP B 1 532 ? 18.570 5.398 -22.582 1.00 39.83 ? 532 TRP B CD2 1 ATOM 8390 N NE1 . TRP B 1 532 ? 16.709 5.435 -21.335 1.00 42.00 ? 532 TRP B NE1 1 ATOM 8391 C CE2 . TRP B 1 532 ? 17.670 4.599 -21.846 1.00 43.45 ? 532 TRP B CE2 1 ATOM 8392 C CE3 . TRP B 1 532 ? 19.657 4.776 -23.234 1.00 41.04 ? 532 TRP B CE3 1 ATOM 8393 C CZ2 . TRP B 1 532 ? 17.820 3.208 -21.729 1.00 43.23 ? 532 TRP B CZ2 1 ATOM 8394 C CZ3 . TRP B 1 532 ? 19.806 3.398 -23.111 1.00 42.96 ? 532 TRP B CZ3 1 ATOM 8395 C CH2 . TRP B 1 532 ? 18.881 2.627 -22.388 1.00 43.63 ? 532 TRP B CH2 1 ATOM 8396 N N . ASN B 1 533 ? 20.344 10.698 -23.310 1.00 44.36 ? 533 ASN B N 1 ATOM 8397 C CA . ASN B 1 533 ? 20.878 11.724 -24.215 1.00 44.70 ? 533 ASN B CA 1 ATOM 8398 C C . ASN B 1 533 ? 22.121 12.450 -23.722 1.00 49.57 ? 533 ASN B C 1 ATOM 8399 O O . ASN B 1 533 ? 22.920 12.876 -24.555 1.00 48.09 ? 533 ASN B O 1 ATOM 8400 C CB . ASN B 1 533 ? 19.780 12.736 -24.606 1.00 40.52 ? 533 ASN B CB 1 ATOM 8401 C CG . ASN B 1 533 ? 18.614 12.072 -25.311 1.00 48.15 ? 533 ASN B CG 1 ATOM 8402 O OD1 . ASN B 1 533 ? 18.713 10.956 -25.773 1.00 44.45 ? 533 ASN B OD1 1 ATOM 8403 N ND2 . ASN B 1 533 ? 17.460 12.699 -25.347 1.00 38.87 ? 533 ASN B ND2 1 ATOM 8404 N N . ARG B 1 534 ? 22.305 12.590 -22.404 1.00 47.05 ? 534 ARG B N 1 ATOM 8405 C CA . ARG B 1 534 ? 23.465 13.306 -21.872 1.00 48.11 ? 534 ARG B CA 1 ATOM 8406 C C . ARG B 1 534 ? 24.455 12.417 -21.142 1.00 53.44 ? 534 ARG B C 1 ATOM 8407 O O . ARG B 1 534 ? 25.658 12.535 -21.374 1.00 55.11 ? 534 ARG B O 1 ATOM 8408 C CB . ARG B 1 534 ? 23.038 14.470 -20.963 1.00 48.89 ? 534 ARG B CB 1 ATOM 8409 C CG . ARG B 1 534 ? 22.113 15.462 -21.635 1.00 55.95 ? 534 ARG B CG 1 ATOM 8410 C CD . ARG B 1 534 ? 21.465 16.380 -20.638 1.00 60.53 ? 534 ARG B CD 1 ATOM 8411 N NE . ARG B 1 534 ? 20.358 17.095 -21.264 1.00 67.57 ? 534 ARG B NE 1 ATOM 8412 C CZ . ARG B 1 534 ? 20.423 18.348 -21.701 1.00 76.46 ? 534 ARG B CZ 1 ATOM 8413 N NH1 . ARG B 1 534 ? 21.535 19.063 -21.531 1.00 55.24 ? 534 ARG B NH1 1 ATOM 8414 N NH2 . ARG B 1 534 ? 19.369 18.909 -22.278 1.00 53.45 ? 534 ARG B NH2 1 ATOM 8415 N N . PHE B 1 535 ? 23.977 11.544 -20.247 1.00 48.17 ? 535 PHE B N 1 ATOM 8416 C CA . PHE B 1 535 ? 24.918 10.723 -19.491 1.00 46.82 ? 535 PHE B CA 1 ATOM 8417 C C . PHE B 1 535 ? 25.484 9.551 -20.267 1.00 50.81 ? 535 PHE B C 1 ATOM 8418 O O . PHE B 1 535 ? 26.700 9.428 -20.319 1.00 51.71 ? 535 PHE B O 1 ATOM 8419 C CB . PHE B 1 535 ? 24.346 10.244 -18.144 1.00 46.89 ? 535 PHE B CB 1 ATOM 8420 C CG . PHE B 1 535 ? 25.372 9.453 -17.369 1.00 47.80 ? 535 PHE B CG 1 ATOM 8421 C CD1 . PHE B 1 535 ? 26.487 10.077 -16.820 1.00 48.82 ? 535 PHE B CD1 1 ATOM 8422 C CD2 . PHE B 1 535 ? 25.265 8.072 -17.251 1.00 49.80 ? 535 PHE B CD2 1 ATOM 8423 C CE1 . PHE B 1 535 ? 27.453 9.344 -16.137 1.00 50.75 ? 535 PHE B CE1 1 ATOM 8424 C CE2 . PHE B 1 535 ? 26.230 7.343 -16.557 1.00 53.43 ? 535 PHE B CE2 1 ATOM 8425 C CZ . PHE B 1 535 ? 27.316 7.986 -16.002 1.00 51.73 ? 535 PHE B CZ 1 ATOM 8426 N N . LEU B 1 536 ? 24.629 8.657 -20.790 1.00 47.55 ? 536 LEU B N 1 ATOM 8427 C CA . LEU B 1 536 ? 25.091 7.453 -21.480 1.00 50.79 ? 536 LEU B CA 1 ATOM 8428 C C . LEU B 1 536 ? 26.122 7.718 -22.589 1.00 61.26 ? 536 LEU B C 1 ATOM 8429 O O . LEU B 1 536 ? 27.117 6.990 -22.580 1.00 61.72 ? 536 LEU B O 1 ATOM 8430 C CB . LEU B 1 536 ? 23.953 6.573 -21.993 1.00 50.43 ? 536 LEU B CB 1 ATOM 8431 C CG . LEU B 1 536 ? 23.482 5.457 -21.056 1.00 55.93 ? 536 LEU B CG 1 ATOM 8432 C CD1 . LEU B 1 536 ? 23.220 4.209 -21.822 1.00 56.30 ? 536 LEU B CD1 1 ATOM 8433 C CD2 . LEU B 1 536 ? 24.512 5.156 -19.956 1.00 59.43 ? 536 LEU B CD2 1 ATOM 8434 N N . PRO B 1 537 ? 26.004 8.758 -23.472 1.00 61.20 ? 537 PRO B N 1 ATOM 8435 C CA . PRO B 1 537 ? 27.087 9.009 -24.441 1.00 63.68 ? 537 PRO B CA 1 ATOM 8436 C C . PRO B 1 537 ? 28.452 9.159 -23.757 1.00 72.97 ? 537 PRO B C 1 ATOM 8437 O O . PRO B 1 537 ? 29.397 8.501 -24.188 1.00 74.40 ? 537 PRO B O 1 ATOM 8438 C CB . PRO B 1 537 ? 26.634 10.291 -25.151 1.00 64.11 ? 537 PRO B CB 1 ATOM 8439 C CG . PRO B 1 537 ? 25.156 10.266 -25.037 1.00 66.11 ? 537 PRO B CG 1 ATOM 8440 C CD . PRO B 1 537 ? 24.925 9.751 -23.646 1.00 61.44 ? 537 PRO B CD 1 ATOM 8441 N N . LYS B 1 538 ? 28.530 9.951 -22.646 1.00 71.62 ? 538 LYS B N 1 ATOM 8442 C CA . LYS B 1 538 ? 29.741 10.198 -21.835 1.00 73.80 ? 538 LYS B CA 1 ATOM 8443 C C . LYS B 1 538 ? 30.337 8.919 -21.269 1.00 83.29 ? 538 LYS B C 1 ATOM 8444 O O . LYS B 1 538 ? 31.558 8.804 -21.153 1.00 84.36 ? 538 LYS B O 1 ATOM 8445 C CB . LYS B 1 538 ? 29.465 11.180 -20.690 1.00 74.78 ? 538 LYS B CB 1 ATOM 8446 C CG . LYS B 1 538 ? 29.382 12.636 -21.111 1.00 84.79 ? 538 LYS B CG 1 ATOM 8447 C CD . LYS B 1 538 ? 28.885 13.513 -19.964 1.00 97.58 ? 538 LYS B CD 1 ATOM 8448 C CE . LYS B 1 538 ? 28.685 14.956 -20.366 1.00 115.84 ? 538 LYS B CE 1 ATOM 8449 N NZ . LYS B 1 538 ? 29.969 15.645 -20.679 1.00 130.44 ? 538 LYS B NZ 1 ATOM 8450 N N . LEU B 1 539 ? 29.474 7.955 -20.928 1.00 83.13 ? 539 LEU B N 1 ATOM 8451 C CA . LEU B 1 539 ? 29.884 6.664 -20.386 1.00 85.93 ? 539 LEU B CA 1 ATOM 8452 C C . LEU B 1 539 ? 30.514 5.789 -21.462 1.00 97.06 ? 539 LEU B C 1 ATOM 8453 O O . LEU B 1 539 ? 31.337 4.933 -21.147 1.00 98.55 ? 539 LEU B O 1 ATOM 8454 C CB . LEU B 1 539 ? 28.679 5.954 -19.745 1.00 84.83 ? 539 LEU B CB 1 ATOM 8455 C CG . LEU B 1 539 ? 28.979 4.941 -18.669 1.00 90.30 ? 539 LEU B CG 1 ATOM 8456 C CD1 . LEU B 1 539 ? 29.808 5.549 -17.573 1.00 91.79 ? 539 LEU B CD1 1 ATOM 8457 C CD2 . LEU B 1 539 ? 27.715 4.416 -18.075 1.00 91.91 ? 539 LEU B CD2 1 ATOM 8458 N N . LEU B 1 540 ? 30.124 6.010 -22.730 1.00 97.16 ? 540 LEU B N 1 ATOM 8459 C CA . LEU B 1 540 ? 30.630 5.292 -23.902 1.00 99.08 ? 540 LEU B CA 1 ATOM 8460 C C . LEU B 1 540 ? 31.916 5.964 -24.411 1.00 107.31 ? 540 LEU B C 1 ATOM 8461 O O . LEU B 1 540 ? 32.894 5.263 -24.667 1.00 108.59 ? 540 LEU B O 1 ATOM 8462 C CB . LEU B 1 540 ? 29.554 5.256 -25.013 1.00 97.76 ? 540 LEU B CB 1 ATOM 8463 C CG . LEU B 1 540 ? 28.685 3.977 -25.189 1.00 102.49 ? 540 LEU B CG 1 ATOM 8464 C CD1 . LEU B 1 540 ? 27.982 3.549 -23.880 1.00 102.92 ? 540 LEU B CD1 1 ATOM 8465 C CD2 . LEU B 1 540 ? 27.634 4.193 -26.258 1.00 103.55 ? 540 LEU B CD2 1 ATOM 8466 N N . SER B 1 541 ? 31.923 7.319 -24.516 1.00 105.44 ? 541 SER B N 1 ATOM 8467 C CA . SER B 1 541 ? 33.042 8.145 -24.995 1.00 107.63 ? 541 SER B CA 1 ATOM 8468 C C . SER B 1 541 ? 34.339 7.996 -24.191 1.00 117.61 ? 541 SER B C 1 ATOM 8469 O O . SER B 1 541 ? 35.426 8.140 -24.761 1.00 119.11 ? 541 SER B O 1 ATOM 8470 C CB . SER B 1 541 ? 32.637 9.615 -25.081 1.00 110.18 ? 541 SER B CB 1 ATOM 8471 O OG . SER B 1 541 ? 32.609 10.265 -23.821 1.00 119.26 ? 541 SER B OG 1 ATOM 8472 N N . ALA B 1 542 ? 34.222 7.723 -22.876 1.00 116.86 ? 542 ALA B N 1 ATOM 8473 C CA . ALA B 1 542 ? 35.364 7.542 -21.977 1.00 119.42 ? 542 ALA B CA 1 ATOM 8474 C C . ALA B 1 542 ? 35.781 6.057 -21.817 1.00 126.77 ? 542 ALA B C 1 ATOM 8475 O O . ALA B 1 542 ? 36.928 5.800 -21.454 1.00 128.56 ? 542 ALA B O 1 ATOM 8476 C CB . ALA B 1 542 ? 35.075 8.183 -20.628 1.00 120.08 ? 542 ALA B CB 1 ATOM 8477 N N . THR B 1 543 ? 34.894 5.094 -22.177 1.00 123.85 ? 543 THR B N 1 ATOM 8478 C CA . THR B 1 543 ? 35.179 3.651 -22.097 1.00 131.09 ? 543 THR B CA 1 ATOM 8479 C C . THR B 1 543 ? 35.569 3.058 -23.471 1.00 147.66 ? 543 THR B C 1 ATOM 8480 O O . THR B 1 543 ? 34.740 3.078 -24.406 1.00 147.77 ? 543 THR B O 1 ATOM 8481 C CB . THR B 1 543 ? 34.018 2.895 -21.413 1.00 141.46 ? 543 THR B CB 1 ATOM 8482 O OG1 . THR B 1 543 ? 33.806 3.445 -20.110 1.00 141.25 ? 543 THR B OG1 1 ATOM 8483 C CG2 . THR B 1 543 ? 34.273 1.385 -21.296 1.00 142.31 ? 543 THR B CG2 1 ATOM 8484 O OXT . THR B 1 543 ? 36.693 2.522 -23.585 1.00 171.46 ? 543 THR B OXT 1 HETATM 8485 C C1 . NAG C 2 . ? 24.966 35.800 -0.920 1.00 76.83 ? 601 NAG A C1 1 HETATM 8486 C C2 . NAG C 2 . ? 25.071 36.223 -2.386 1.00 81.75 ? 601 NAG A C2 1 HETATM 8487 C C3 . NAG C 2 . ? 26.311 35.607 -3.040 1.00 85.64 ? 601 NAG A C3 1 HETATM 8488 C C4 . NAG C 2 . ? 27.574 35.819 -2.204 1.00 88.72 ? 601 NAG A C4 1 HETATM 8489 C C5 . NAG C 2 . ? 27.331 35.480 -0.733 1.00 86.12 ? 601 NAG A C5 1 HETATM 8490 C C6 . NAG C 2 . ? 28.483 35.874 0.168 1.00 91.79 ? 601 NAG A C6 1 HETATM 8491 C C7 . NAG C 2 . ? 22.812 36.511 -3.352 1.00 83.40 ? 601 NAG A C7 1 HETATM 8492 C C8 . NAG C 2 . ? 21.647 35.798 -3.973 1.00 83.94 ? 601 NAG A C8 1 HETATM 8493 N N2 . NAG C 2 . ? 23.868 35.745 -3.052 1.00 81.96 ? 601 NAG A N2 1 HETATM 8494 O O3 . NAG C 2 . ? 26.500 36.186 -4.327 1.00 85.40 ? 601 NAG A O3 1 HETATM 8495 O O4 . NAG C 2 . ? 28.595 34.946 -2.688 1.00 94.37 ? 601 NAG A O4 1 HETATM 8496 O O5 . NAG C 2 . ? 26.169 36.177 -0.251 1.00 80.17 ? 601 NAG A O5 1 HETATM 8497 O O6 . NAG C 2 . ? 28.753 37.271 0.087 1.00 97.18 ? 601 NAG A O6 1 HETATM 8498 O O7 . NAG C 2 . ? 22.789 37.717 -3.119 1.00 83.80 ? 601 NAG A O7 1 HETATM 8499 C C1 . FUC D 3 . ? 29.031 37.898 1.311 1.00 101.96 ? 602 FUC A C1 1 HETATM 8500 C C2 . FUC D 3 . ? 29.586 39.303 1.023 1.00 104.85 ? 602 FUC A C2 1 HETATM 8501 C C3 . FUC D 3 . ? 28.478 40.272 0.610 1.00 108.04 ? 602 FUC A C3 1 HETATM 8502 C C4 . FUC D 3 . ? 27.316 40.257 1.602 1.00 108.21 ? 602 FUC A C4 1 HETATM 8503 C C5 . FUC D 3 . ? 26.811 38.822 1.764 1.00 105.43 ? 602 FUC A C5 1 HETATM 8504 C C6 . FUC D 3 . ? 25.683 38.650 2.755 1.00 104.13 ? 602 FUC A C6 1 HETATM 8505 O O2 . FUC D 3 . ? 30.577 39.237 0.003 1.00 104.35 ? 602 FUC A O2 1 HETATM 8506 O O3 . FUC D 3 . ? 29.001 41.590 0.483 1.00 109.80 ? 602 FUC A O3 1 HETATM 8507 O O4 . FUC D 3 . ? 27.722 40.814 2.851 1.00 109.69 ? 602 FUC A O4 1 HETATM 8508 O O5 . FUC D 3 . ? 27.893 37.967 2.193 1.00 103.62 ? 602 FUC A O5 1 HETATM 8509 C C1 . NAG E 2 . ? 29.688 35.466 -3.443 1.00 99.02 ? 603 NAG A C1 1 HETATM 8510 C C2 . NAG E 2 . ? 30.829 34.445 -3.370 1.00 100.86 ? 603 NAG A C2 1 HETATM 8511 C C3 . NAG E 2 . ? 31.943 34.801 -4.359 1.00 102.48 ? 603 NAG A C3 1 HETATM 8512 C C4 . NAG E 2 . ? 31.387 35.044 -5.759 1.00 102.32 ? 603 NAG A C4 1 HETATM 8513 C C5 . NAG E 2 . ? 30.301 36.119 -5.707 1.00 101.86 ? 603 NAG A C5 1 HETATM 8514 C C6 . NAG E 2 . ? 29.632 36.389 -7.040 1.00 101.39 ? 603 NAG A C6 1 HETATM 8515 C C7 . NAG E 2 . ? 30.954 33.520 -1.063 1.00 100.44 ? 603 NAG A C7 1 HETATM 8516 C C8 . NAG E 2 . ? 31.664 33.617 0.255 1.00 100.71 ? 603 NAG A C8 1 HETATM 8517 N N2 . NAG E 2 . ? 31.361 34.386 -2.015 1.00 101.51 ? 603 NAG A N2 1 HETATM 8518 O O3 . NAG E 2 . ? 32.903 33.751 -4.399 1.00 104.22 ? 603 NAG A O3 1 HETATM 8519 O O4 . NAG E 2 . ? 32.446 35.447 -6.625 1.00 101.93 ? 603 NAG A O4 1 HETATM 8520 O O5 . NAG E 2 . ? 29.264 35.717 -4.793 1.00 101.42 ? 603 NAG A O5 1 HETATM 8521 O O6 . NAG E 2 . ? 28.664 35.398 -7.379 1.00 101.06 ? 603 NAG A O6 1 HETATM 8522 O O7 . NAG E 2 . ? 30.049 32.713 -1.252 1.00 98.45 ? 603 NAG A O7 1 HETATM 8523 C C1 . NAG F 2 . ? 12.511 34.595 25.718 1.00 109.99 ? 604 NAG A C1 1 HETATM 8524 C C2 . NAG F 2 . ? 13.933 35.038 25.364 1.00 110.97 ? 604 NAG A C2 1 HETATM 8525 C C3 . NAG F 2 . ? 14.293 36.358 26.048 1.00 111.69 ? 604 NAG A C3 1 HETATM 8526 C C4 . NAG F 2 . ? 13.229 37.418 25.768 1.00 113.35 ? 604 NAG A C4 1 HETATM 8527 C C5 . NAG F 2 . ? 11.847 36.899 26.167 1.00 114.22 ? 604 NAG A C5 1 HETATM 8528 C C6 . NAG F 2 . ? 10.724 37.851 25.806 1.00 115.79 ? 604 NAG A C6 1 HETATM 8529 C C7 . NAG F 2 . ? 15.273 33.015 24.878 1.00 112.17 ? 604 NAG A C7 1 HETATM 8530 C C8 . NAG F 2 . ? 16.125 31.935 25.477 1.00 111.28 ? 604 NAG A C8 1 HETATM 8531 N N2 . NAG F 2 . ? 14.888 33.996 25.717 1.00 111.29 ? 604 NAG A N2 1 HETATM 8532 O O3 . NAG F 2 . ? 15.557 36.810 25.573 1.00 110.50 ? 604 NAG A O3 1 HETATM 8533 O O4 . NAG F 2 . ? 13.537 38.621 26.469 1.00 113.51 ? 604 NAG A O4 1 HETATM 8534 O O5 . NAG F 2 . ? 11.573 35.658 25.485 1.00 112.91 ? 604 NAG A O5 1 HETATM 8535 O O6 . NAG F 2 . ? 9.451 37.364 26.220 1.00 116.54 ? 604 NAG A O6 1 HETATM 8536 O O7 . NAG F 2 . ? 14.931 32.992 23.697 1.00 113.22 ? 604 NAG A O7 1 HETATM 8537 N N20 . TZ2 G 4 . ? 31.014 19.257 11.236 1.00 67.87 ? 605 TZ2 A N20 1 HETATM 8538 N N19 . TZ2 G 4 . ? 31.381 20.063 12.210 1.00 68.31 ? 605 TZ2 A N19 1 HETATM 8539 N N18 . TZ2 G 4 . ? 30.650 21.002 12.575 1.00 67.03 ? 605 TZ2 A N18 1 HETATM 8540 C C28 . TZ2 G 4 . ? 31.147 21.858 13.643 1.00 60.56 ? 605 TZ2 A C28 1 HETATM 8541 C C29 . TZ2 G 4 . ? 30.214 23.052 13.728 1.00 52.13 ? 605 TZ2 A C29 1 HETATM 8542 N N7 . TZ2 G 4 . ? 29.256 22.865 14.803 1.00 45.53 ? 605 TZ2 A N7 1 HETATM 8543 C C30 . TZ2 G 4 . ? 28.047 22.307 14.545 1.00 39.86 ? 605 TZ2 A C30 1 HETATM 8544 C C39 . TZ2 G 4 . ? 27.708 20.951 15.059 1.00 38.04 ? 605 TZ2 A C39 1 HETATM 8545 C C40 . TZ2 G 4 . ? 28.685 20.160 15.922 1.00 38.84 ? 605 TZ2 A C40 1 HETATM 8546 C C41 . TZ2 G 4 . ? 27.941 19.078 16.720 1.00 37.11 ? 605 TZ2 A C41 1 HETATM 8547 C C42 . TZ2 G 4 . ? 27.153 18.196 15.747 1.00 38.48 ? 605 TZ2 A C42 1 HETATM 8548 C C38 . TZ2 G 4 . ? 25.964 18.983 15.180 1.00 38.54 ? 605 TZ2 A C38 1 HETATM 8549 C C37 . TZ2 G 4 . ? 26.371 20.382 14.716 1.00 37.03 ? 605 TZ2 A C37 1 HETATM 8550 N N8 . TZ2 G 4 . ? 25.480 21.116 13.992 1.00 37.24 ? 605 TZ2 A N8 1 HETATM 8551 C C33 . TZ2 G 4 . ? 25.718 22.347 13.490 1.00 35.80 ? 605 TZ2 A C33 1 HETATM 8552 C C31 . TZ2 G 4 . ? 27.003 23.039 13.756 1.00 36.95 ? 605 TZ2 A C31 1 HETATM 8553 C C34 . TZ2 G 4 . ? 24.713 23.022 12.792 1.00 38.71 ? 605 TZ2 A C34 1 HETATM 8554 C C35 . TZ2 G 4 . ? 24.911 24.330 12.353 1.00 38.68 ? 605 TZ2 A C35 1 HETATM 8555 C C36 . TZ2 G 4 . ? 26.109 25.000 12.637 1.00 38.19 ? 605 TZ2 A C36 1 HETATM 8556 C C32 . TZ2 G 4 . ? 27.165 24.366 13.301 1.00 36.88 ? 605 TZ2 A C32 1 HETATM 8557 C C . ACT H 5 . ? 29.709 16.614 12.627 1.00 52.47 ? 606 ACT A C 1 HETATM 8558 O O . ACT H 5 . ? 29.358 17.779 12.943 1.00 54.41 ? 606 ACT A O 1 HETATM 8559 O OXT . ACT H 5 . ? 29.922 15.737 13.502 1.00 48.32 ? 606 ACT A OXT 1 HETATM 8560 C CH3 . ACT H 5 . ? 29.887 16.246 11.165 1.00 51.29 ? 606 ACT A CH3 1 HETATM 8561 O O1 . PG4 I 6 . ? 13.522 18.184 -8.029 1.00 82.59 ? 607 PG4 A O1 1 HETATM 8562 C C1 . PG4 I 6 . ? 13.017 18.008 -9.366 1.00 80.08 ? 607 PG4 A C1 1 HETATM 8563 C C2 . PG4 I 6 . ? 13.526 16.708 -9.990 1.00 76.60 ? 607 PG4 A C2 1 HETATM 8564 O O2 . PG4 I 6 . ? 14.937 16.553 -9.806 1.00 74.05 ? 607 PG4 A O2 1 HETATM 8565 C C3 . PG4 I 6 . ? 15.270 15.192 -9.554 1.00 75.85 ? 607 PG4 A C3 1 HETATM 8566 C C4 . PG4 I 6 . ? 16.568 15.108 -8.766 1.00 79.66 ? 607 PG4 A C4 1 HETATM 8567 O O3 . PG4 I 6 . ? 16.316 14.945 -7.372 1.00 84.24 ? 607 PG4 A O3 1 HETATM 8568 C C5 . PG4 I 6 . ? 16.998 13.819 -6.811 1.00 84.98 ? 607 PG4 A C5 1 HETATM 8569 C C6 . PG4 I 6 . ? 16.581 13.648 -5.351 1.00 87.06 ? 607 PG4 A C6 1 HETATM 8570 O O4 . PG4 I 6 . ? 15.416 12.819 -5.221 1.00 89.54 ? 607 PG4 A O4 1 HETATM 8571 C C7 . PG4 I 6 . ? 15.226 12.240 -3.925 1.00 88.28 ? 607 PG4 A C7 1 HETATM 8572 C C8 . PG4 I 6 . ? 13.889 12.681 -3.328 1.00 88.27 ? 607 PG4 A C8 1 HETATM 8573 O O5 . PG4 I 6 . ? 13.391 11.698 -2.405 1.00 88.87 ? 607 PG4 A O5 1 HETATM 8574 C C1 . NAG J 2 . ? 5.654 -17.187 -20.878 1.00 98.47 ? 601 NAG B C1 1 HETATM 8575 C C2 . NAG J 2 . ? 6.301 -17.875 -19.674 1.00 102.21 ? 601 NAG B C2 1 HETATM 8576 C C3 . NAG J 2 . ? 7.779 -18.129 -19.974 1.00 102.87 ? 601 NAG B C3 1 HETATM 8577 C C4 . NAG J 2 . ? 7.931 -18.987 -21.225 1.00 103.83 ? 601 NAG B C4 1 HETATM 8578 C C5 . NAG J 2 . ? 7.188 -18.367 -22.411 1.00 103.84 ? 601 NAG B C5 1 HETATM 8579 C C6 . NAG J 2 . ? 7.057 -19.310 -23.594 1.00 106.08 ? 601 NAG B C6 1 HETATM 8580 C C7 . NAG J 2 . ? 5.309 -17.407 -17.462 1.00 106.25 ? 601 NAG B C7 1 HETATM 8581 C C8 . NAG J 2 . ? 5.211 -16.409 -16.345 1.00 106.33 ? 601 NAG B C8 1 HETATM 8582 N N2 . NAG J 2 . ? 6.148 -17.086 -18.461 1.00 104.66 ? 601 NAG B N2 1 HETATM 8583 O O3 . NAG J 2 . ? 8.388 -18.791 -18.870 1.00 102.65 ? 601 NAG B O3 1 HETATM 8584 O O4 . NAG J 2 . ? 9.315 -19.127 -21.535 1.00 104.45 ? 601 NAG B O4 1 HETATM 8585 O O5 . NAG J 2 . ? 5.840 -18.009 -22.042 1.00 101.55 ? 601 NAG B O5 1 HETATM 8586 O O6 . NAG J 2 . ? 8.312 -19.803 -24.054 1.00 107.64 ? 601 NAG B O6 1 HETATM 8587 O O7 . NAG J 2 . ? 4.656 -18.449 -17.462 1.00 106.72 ? 601 NAG B O7 1 HETATM 8588 C C1 . NAG K 2 . ? -17.685 -7.255 -36.127 1.00 115.27 ? 602 NAG B C1 1 HETATM 8589 C C2 . NAG K 2 . ? -16.740 -8.115 -36.968 1.00 116.59 ? 602 NAG B C2 1 HETATM 8590 C C3 . NAG K 2 . ? -17.608 -9.093 -37.763 1.00 118.61 ? 602 NAG B C3 1 HETATM 8591 C C4 . NAG K 2 . ? -18.463 -9.943 -36.823 1.00 119.63 ? 602 NAG B C4 1 HETATM 8592 C C5 . NAG K 2 . ? -19.297 -9.048 -35.905 1.00 119.42 ? 602 NAG B C5 1 HETATM 8593 C C6 . NAG K 2 . ? -20.031 -9.814 -34.824 1.00 119.82 ? 602 NAG B C6 1 HETATM 8594 C C7 . NAG K 2 . ? -14.593 -7.325 -37.906 1.00 114.35 ? 602 NAG B C7 1 HETATM 8595 C C8 . NAG K 2 . ? -13.949 -6.413 -38.908 1.00 113.27 ? 602 NAG B C8 1 HETATM 8596 N N2 . NAG K 2 . ? -15.938 -7.294 -37.863 1.00 115.56 ? 602 NAG B N2 1 HETATM 8597 O O3 . NAG K 2 . ? -16.786 -9.925 -38.575 1.00 118.83 ? 602 NAG B O3 1 HETATM 8598 O O4 . NAG K 2 . ? -19.323 -10.795 -37.578 1.00 120.02 ? 602 NAG B O4 1 HETATM 8599 O O5 . NAG K 2 . ? -18.450 -8.087 -35.240 1.00 118.17 ? 602 NAG B O5 1 HETATM 8600 O O6 . NAG K 2 . ? -21.016 -9.014 -34.182 1.00 119.99 ? 602 NAG B O6 1 HETATM 8601 O O7 . NAG K 2 . ? -13.930 -8.056 -37.172 1.00 114.10 ? 602 NAG B O7 1 HETATM 8602 CL CL . CL L 7 . ? 23.760 -1.450 -31.371 1.00 76.69 ? 603 CL B CL 1 HETATM 8603 N N20 . TZ2 M 4 . ? 10.410 -3.303 -36.712 1.00 75.31 ? 604 TZ2 B N20 1 HETATM 8604 N N19 . TZ2 M 4 . ? 9.740 -4.045 -37.558 1.00 74.90 ? 604 TZ2 B N19 1 HETATM 8605 N N18 . TZ2 M 4 . ? 8.569 -4.375 -37.318 1.00 73.45 ? 604 TZ2 B N18 1 HETATM 8606 C C28 . TZ2 M 4 . ? 7.895 -5.226 -38.287 1.00 68.41 ? 604 TZ2 B C28 1 HETATM 8607 C C29 . TZ2 M 4 . ? 6.834 -5.986 -37.510 1.00 61.23 ? 604 TZ2 B C29 1 HETATM 8608 N N7 . TZ2 M 4 . ? 5.526 -5.482 -37.862 1.00 55.74 ? 604 TZ2 B N7 1 HETATM 8609 C C30 . TZ2 M 4 . ? 5.011 -4.439 -37.170 1.00 51.12 ? 604 TZ2 B C30 1 HETATM 8610 C C39 . TZ2 M 4 . ? 5.073 -3.022 -37.660 1.00 47.11 ? 604 TZ2 B C39 1 HETATM 8611 C C40 . TZ2 M 4 . ? 5.675 -2.654 -39.011 1.00 42.07 ? 604 TZ2 B C40 1 HETATM 8612 C C41 . TZ2 M 4 . ? 5.063 -1.351 -39.524 1.00 40.29 ? 604 TZ2 B C41 1 HETATM 8613 C C42 . TZ2 M 4 . ? 5.260 -0.229 -38.505 1.00 42.74 ? 604 TZ2 B C42 1 HETATM 8614 C C38 . TZ2 M 4 . ? 4.497 -0.482 -37.198 1.00 41.82 ? 604 TZ2 B C38 1 HETATM 8615 C C37 . TZ2 M 4 . ? 4.490 -1.943 -36.789 1.00 42.89 ? 604 TZ2 B C37 1 HETATM 8616 N N8 . TZ2 M 4 . ? 3.929 -2.254 -35.600 1.00 42.44 ? 604 TZ2 B N8 1 HETATM 8617 C C33 . TZ2 M 4 . ? 3.832 -3.507 -35.099 1.00 47.13 ? 604 TZ2 B C33 1 HETATM 8618 C C31 . TZ2 M 4 . ? 4.361 -4.681 -35.856 1.00 48.82 ? 604 TZ2 B C31 1 HETATM 8619 C C34 . TZ2 M 4 . ? 3.188 -3.726 -33.871 1.00 49.48 ? 604 TZ2 B C34 1 HETATM 8620 C C35 . TZ2 M 4 . ? 3.069 -5.021 -33.364 1.00 49.25 ? 604 TZ2 B C35 1 HETATM 8621 C C36 . TZ2 M 4 . ? 3.538 -6.113 -34.101 1.00 48.95 ? 604 TZ2 B C36 1 HETATM 8622 C C32 . TZ2 M 4 . ? 4.200 -5.961 -35.319 1.00 48.89 ? 604 TZ2 B C32 1 HETATM 8623 C C . ACT N 5 . ? 9.632 -0.299 -37.434 1.00 61.45 ? 605 ACT B C 1 HETATM 8624 O O . ACT N 5 . ? 9.590 0.491 -38.404 1.00 57.92 ? 605 ACT B O 1 HETATM 8625 O OXT . ACT N 5 . ? 8.715 -1.130 -37.223 1.00 62.42 ? 605 ACT B OXT 1 HETATM 8626 C CH3 . ACT N 5 . ? 10.811 -0.217 -36.491 1.00 61.64 ? 605 ACT B CH3 1 HETATM 8627 O OXT . 7PG O 8 . ? 17.270 12.078 -11.845 1.00 62.62 ? 606 7PG B OXT 1 HETATM 8628 C C1 . 7PG O 8 . ? 17.219 10.830 -12.565 1.00 62.33 ? 606 7PG B C1 1 HETATM 8629 C C2 . 7PG O 8 . ? 18.521 10.507 -13.298 1.00 60.11 ? 606 7PG B C2 1 HETATM 8630 O O1 . 7PG O 8 . ? 18.795 11.469 -14.335 1.00 61.51 ? 606 7PG B O1 1 HETATM 8631 C C3 . 7PG O 8 . ? 19.903 11.118 -15.187 1.00 62.61 ? 606 7PG B C3 1 HETATM 8632 C C4 . 7PG O 8 . ? 21.276 11.120 -14.506 1.00 64.09 ? 606 7PG B C4 1 HETATM 8633 O O2 . 7PG O 8 . ? 22.112 10.031 -14.897 1.00 63.33 ? 606 7PG B O2 1 HETATM 8634 C C5 . 7PG O 8 . ? 22.801 9.429 -13.791 1.00 58.74 ? 606 7PG B C5 1 HETATM 8635 C C6 . 7PG O 8 . ? 23.364 8.059 -14.196 1.00 55.89 ? 606 7PG B C6 1 HETATM 8636 O O3 . 7PG O 8 . ? 23.278 7.106 -13.139 1.00 58.30 ? 606 7PG B O3 1 HETATM 8637 C C7 . 7PG O 8 . ? 22.657 5.861 -13.481 1.00 61.03 ? 606 7PG B C7 1 HETATM 8638 C C8 . 7PG O 8 . ? 22.384 5.000 -12.245 1.00 62.55 ? 606 7PG B C8 1 HETATM 8639 O O4 . 7PG O 8 . ? 21.310 5.550 -11.470 1.00 65.65 ? 606 7PG B O4 1 HETATM 8640 C C9 . 7PG O 8 . ? 20.967 4.723 -10.358 1.00 65.38 ? 606 7PG B C9 1 HETATM 8641 C C10 . 7PG O 8 . ? 19.597 5.028 -9.732 1.00 66.60 ? 606 7PG B C10 1 HETATM 8642 O O5 . 7PG O 8 . ? 19.041 6.270 -10.160 1.00 69.89 ? 606 7PG B O5 1 HETATM 8643 C C11 . 7PG O 8 . ? 17.615 6.207 -10.199 1.00 72.63 ? 606 7PG B C11 1 HETATM 8644 C C12 . 7PG O 8 . ? 17.066 7.285 -11.124 1.00 74.00 ? 606 7PG B C12 1 HETATM 8645 O O6 . 7PG O 8 . ? 15.762 6.938 -11.606 1.00 77.31 ? 606 7PG B O6 1 HETATM 8646 C C13 . 7PG O 8 . ? 14.941 8.109 -11.741 1.00 79.80 ? 606 7PG B C13 1 HETATM 8647 C C14 . 7PG O 8 . ? 14.016 8.029 -12.957 1.00 80.85 ? 606 7PG B C14 1 HETATM 8648 O O7 . 7PG O 8 . ? 13.418 9.303 -13.238 1.00 80.27 ? 606 7PG B O7 1 HETATM 8649 O O1 . PG4 P 6 . ? 9.326 5.679 -9.530 1.00 76.30 ? 607 PG4 B O1 1 HETATM 8650 C C1 . PG4 P 6 . ? 10.125 4.512 -9.303 1.00 76.96 ? 607 PG4 B C1 1 HETATM 8651 C C2 . PG4 P 6 . ? 10.514 3.861 -10.627 1.00 77.92 ? 607 PG4 B C2 1 HETATM 8652 O O2 . PG4 P 6 . ? 11.803 4.335 -11.010 1.00 79.05 ? 607 PG4 B O2 1 HETATM 8653 C C3 . PG4 P 6 . ? 12.245 3.860 -12.277 1.00 81.07 ? 607 PG4 B C3 1 HETATM 8654 C C4 . PG4 P 6 . ? 12.060 4.935 -13.351 1.00 83.79 ? 607 PG4 B C4 1 HETATM 8655 O O3 . PG4 P 6 . ? 12.239 4.367 -14.654 1.00 86.76 ? 607 PG4 B O3 1 HETATM 8656 C C5 . PG4 P 6 . ? 11.022 4.182 -15.385 1.00 89.24 ? 607 PG4 B C5 1 HETATM 8657 C C6 . PG4 P 6 . ? 10.630 2.702 -15.405 1.00 91.21 ? 607 PG4 B C6 1 HETATM 8658 O O4 . PG4 P 6 . ? 9.307 2.566 -15.924 1.00 92.10 ? 607 PG4 B O4 1 HETATM 8659 C C7 . PG4 P 6 . ? 8.618 1.467 -15.337 1.00 92.62 ? 607 PG4 B C7 1 HETATM 8660 C C8 . PG4 P 6 . ? 7.128 1.642 -15.592 1.00 94.25 ? 607 PG4 B C8 1 HETATM 8661 O O5 . PG4 P 6 . ? 6.410 1.457 -14.366 1.00 95.53 ? 607 PG4 B O5 1 HETATM 8662 O O . HOH Q 9 . ? 40.109 21.049 16.407 1.00 33.61 ? 701 HOH A O 1 HETATM 8663 O O . HOH Q 9 . ? 18.012 15.631 29.230 1.00 35.54 ? 702 HOH A O 1 HETATM 8664 O O . HOH Q 9 . ? 21.464 15.655 13.292 1.00 34.01 ? 703 HOH A O 1 HETATM 8665 O O . HOH Q 9 . ? 30.765 16.718 1.123 1.00 35.39 ? 704 HOH A O 1 HETATM 8666 O O . HOH Q 9 . ? 9.116 29.989 19.985 1.00 53.10 ? 705 HOH A O 1 HETATM 8667 O O . HOH Q 9 . ? 44.322 25.229 29.317 1.00 54.08 ? 706 HOH A O 1 HETATM 8668 O O . HOH Q 9 . ? 15.714 31.881 4.049 1.00 48.58 ? 707 HOH A O 1 HETATM 8669 O O . HOH Q 9 . ? 37.709 7.376 37.764 1.00 49.52 ? 708 HOH A O 1 HETATM 8670 O O . HOH Q 9 . ? 38.547 4.771 34.338 1.00 45.60 ? 709 HOH A O 1 HETATM 8671 O O . HOH Q 9 . ? 17.590 14.106 -2.614 1.00 56.47 ? 710 HOH A O 1 HETATM 8672 O O . HOH Q 9 . ? 26.099 15.780 28.191 1.00 35.12 ? 711 HOH A O 1 HETATM 8673 O O . HOH Q 9 . ? 24.124 33.260 -4.290 1.00 41.78 ? 712 HOH A O 1 HETATM 8674 O O . HOH Q 9 . ? 49.071 12.426 32.931 1.00 56.62 ? 713 HOH A O 1 HETATM 8675 O O . HOH Q 9 . ? 50.486 28.593 15.438 1.00 61.65 ? 714 HOH A O 1 HETATM 8676 O O . HOH Q 9 . ? 26.807 5.755 0.910 1.00 52.87 ? 715 HOH A O 1 HETATM 8677 O O . HOH Q 9 . ? 19.714 20.776 19.012 1.00 37.46 ? 716 HOH A O 1 HETATM 8678 O O . HOH Q 9 . ? 31.449 21.780 16.895 1.00 37.06 ? 717 HOH A O 1 HETATM 8679 O O . HOH Q 9 . ? 8.703 -0.624 24.428 1.00 57.55 ? 718 HOH A O 1 HETATM 8680 O O . HOH Q 9 . ? 29.338 18.752 20.085 1.00 30.57 ? 719 HOH A O 1 HETATM 8681 O O . HOH Q 9 . ? 3.448 7.652 18.425 1.00 50.51 ? 720 HOH A O 1 HETATM 8682 O O . HOH Q 9 . ? 27.706 36.241 6.141 1.00 63.74 ? 721 HOH A O 1 HETATM 8683 O O . HOH Q 9 . ? 18.170 22.000 2.125 1.00 63.48 ? 722 HOH A O 1 HETATM 8684 O O . HOH Q 9 . ? 2.403 -0.441 21.417 1.00 71.77 ? 723 HOH A O 1 HETATM 8685 O O . HOH Q 9 . ? 38.436 8.913 47.641 1.00 43.15 ? 724 HOH A O 1 HETATM 8686 O O . HOH Q 9 . ? 16.429 -2.564 29.914 1.00 46.30 ? 725 HOH A O 1 HETATM 8687 O O . HOH Q 9 . ? 46.454 13.134 22.604 1.00 33.24 ? 726 HOH A O 1 HETATM 8688 O O . HOH Q 9 . ? 24.419 9.139 48.372 1.00 38.96 ? 727 HOH A O 1 HETATM 8689 O O . HOH Q 9 . ? 14.479 5.521 37.351 1.00 54.65 ? 728 HOH A O 1 HETATM 8690 O O . HOH Q 9 . ? 45.528 1.798 16.163 1.00 47.89 ? 729 HOH A O 1 HETATM 8691 O O . HOH Q 9 . ? 33.900 5.444 6.483 1.00 37.05 ? 730 HOH A O 1 HETATM 8692 O O . HOH Q 9 . ? 29.525 -4.604 36.093 1.00 57.76 ? 731 HOH A O 1 HETATM 8693 O O . HOH Q 9 . ? 4.276 -1.803 17.669 1.00 63.34 ? 732 HOH A O 1 HETATM 8694 O O . HOH Q 9 . ? 38.585 15.826 12.624 1.00 35.52 ? 733 HOH A O 1 HETATM 8695 O O . HOH Q 9 . ? 25.691 23.114 30.055 1.00 45.93 ? 734 HOH A O 1 HETATM 8696 O O . HOH Q 9 . ? 21.638 27.580 17.057 1.00 50.33 ? 735 HOH A O 1 HETATM 8697 O O . HOH Q 9 . ? 17.333 20.232 -0.427 1.00 41.17 ? 736 HOH A O 1 HETATM 8698 O O . HOH Q 9 . ? 10.370 11.253 3.581 1.00 44.06 ? 737 HOH A O 1 HETATM 8699 O O . HOH Q 9 . ? 23.321 20.828 8.123 1.00 43.86 ? 738 HOH A O 1 HETATM 8700 O O . HOH Q 9 . ? 46.547 15.270 24.326 1.00 37.76 ? 739 HOH A O 1 HETATM 8701 O O . HOH Q 9 . ? 4.341 12.649 11.106 1.00 50.21 ? 740 HOH A O 1 HETATM 8702 O O . HOH Q 9 . ? 27.460 8.140 -0.107 1.00 42.93 ? 741 HOH A O 1 HETATM 8703 O O . HOH Q 9 . ? 10.279 25.935 26.425 1.00 50.19 ? 742 HOH A O 1 HETATM 8704 O O . HOH Q 9 . ? 11.456 17.970 34.454 1.00 46.99 ? 743 HOH A O 1 HETATM 8705 O O . HOH Q 9 . ? 19.078 12.688 13.438 1.00 33.35 ? 744 HOH A O 1 HETATM 8706 O O . HOH Q 9 . ? 14.634 -4.823 11.398 1.00 48.89 ? 745 HOH A O 1 HETATM 8707 O O . HOH Q 9 . ? 44.959 28.766 11.033 1.00 59.23 ? 746 HOH A O 1 HETATM 8708 O O . HOH Q 9 . ? 46.522 3.845 35.043 1.00 52.74 ? 747 HOH A O 1 HETATM 8709 O O . HOH Q 9 . ? 36.404 27.712 25.693 1.00 49.78 ? 748 HOH A O 1 HETATM 8710 O O . HOH Q 9 . ? 19.592 29.067 16.444 1.00 46.42 ? 749 HOH A O 1 HETATM 8711 O O . HOH Q 9 . ? 40.448 2.482 25.926 1.00 46.10 ? 750 HOH A O 1 HETATM 8712 O O . HOH Q 9 . ? 43.025 8.040 14.028 1.00 37.21 ? 751 HOH A O 1 HETATM 8713 O O . HOH Q 9 . ? 43.770 1.158 6.049 1.00 41.21 ? 752 HOH A O 1 HETATM 8714 O O . HOH Q 9 . ? 45.756 8.772 29.596 1.00 43.45 ? 753 HOH A O 1 HETATM 8715 O O . HOH Q 9 . ? 27.187 -5.874 32.486 1.00 48.73 ? 754 HOH A O 1 HETATM 8716 O O . HOH Q 9 . ? 52.745 16.713 24.357 1.00 40.72 ? 755 HOH A O 1 HETATM 8717 O O . HOH Q 9 . ? 35.850 9.987 0.779 1.00 42.40 ? 756 HOH A O 1 HETATM 8718 O O . HOH Q 9 . ? 5.881 -3.146 19.386 1.00 68.35 ? 757 HOH A O 1 HETATM 8719 O O . HOH Q 9 . ? 30.157 29.545 1.367 1.00 54.49 ? 758 HOH A O 1 HETATM 8720 O O . HOH Q 9 . ? 25.476 19.180 29.032 1.00 40.18 ? 759 HOH A O 1 HETATM 8721 O O . HOH Q 9 . ? 32.726 17.050 -14.205 1.00 62.55 ? 760 HOH A O 1 HETATM 8722 O O . HOH Q 9 . ? 12.239 28.648 12.499 1.00 57.26 ? 761 HOH A O 1 HETATM 8723 O O . HOH Q 9 . ? 30.262 26.225 15.856 1.00 50.42 ? 762 HOH A O 1 HETATM 8724 O O . HOH Q 9 . ? 13.953 30.190 -8.298 1.00 39.91 ? 763 HOH A O 1 HETATM 8725 O O . HOH Q 9 . ? 34.756 23.782 -7.441 1.00 46.17 ? 764 HOH A O 1 HETATM 8726 O O . HOH Q 9 . ? 3.057 18.592 19.461 1.00 54.22 ? 765 HOH A O 1 HETATM 8727 O O . HOH Q 9 . ? 41.249 17.365 21.633 1.00 32.37 ? 766 HOH A O 1 HETATM 8728 O O . HOH Q 9 . ? 44.045 19.354 16.372 1.00 36.02 ? 767 HOH A O 1 HETATM 8729 O O . HOH Q 9 . ? 28.046 3.999 2.685 1.00 58.71 ? 768 HOH A O 1 HETATM 8730 O O . HOH Q 9 . ? 11.390 2.056 11.020 1.00 41.30 ? 769 HOH A O 1 HETATM 8731 O O . HOH Q 9 . ? 40.460 6.098 46.423 1.00 51.14 ? 770 HOH A O 1 HETATM 8732 O O . HOH Q 9 . ? 59.204 21.592 8.185 1.00 53.79 ? 771 HOH A O 1 HETATM 8733 O O . HOH Q 9 . ? 19.653 1.326 28.119 1.00 38.45 ? 772 HOH A O 1 HETATM 8734 O O . HOH Q 9 . ? 15.304 2.304 1.969 1.00 47.20 ? 773 HOH A O 1 HETATM 8735 O O . HOH Q 9 . ? 57.164 3.653 16.263 1.00 60.31 ? 774 HOH A O 1 HETATM 8736 O O . HOH Q 9 . ? 31.817 14.798 51.936 1.00 66.64 ? 775 HOH A O 1 HETATM 8737 O O . HOH Q 9 . ? 16.344 20.740 -20.226 1.00 63.22 ? 776 HOH A O 1 HETATM 8738 O O . HOH Q 9 . ? 25.377 30.904 22.061 1.00 61.40 ? 777 HOH A O 1 HETATM 8739 O O . HOH Q 9 . ? 26.540 11.280 54.818 1.00 44.29 ? 778 HOH A O 1 HETATM 8740 O O . HOH Q 9 . ? 8.561 12.585 28.193 1.00 50.03 ? 779 HOH A O 1 HETATM 8741 O O . HOH Q 9 . ? 26.067 34.092 -6.001 1.00 55.64 ? 780 HOH A O 1 HETATM 8742 O O . HOH Q 9 . ? 52.512 14.069 3.582 1.00 45.85 ? 781 HOH A O 1 HETATM 8743 O O . HOH Q 9 . ? 16.088 -7.769 10.557 1.00 62.91 ? 782 HOH A O 1 HETATM 8744 O O . HOH Q 9 . ? 36.735 -4.232 14.080 1.00 45.21 ? 783 HOH A O 1 HETATM 8745 O O . HOH Q 9 . ? 41.308 -6.229 15.028 1.00 58.68 ? 784 HOH A O 1 HETATM 8746 O O . HOH Q 9 . ? 11.716 15.496 4.315 1.00 56.02 ? 785 HOH A O 1 HETATM 8747 O O . HOH Q 9 . ? 17.285 3.483 0.551 1.00 45.49 ? 786 HOH A O 1 HETATM 8748 O O . HOH Q 9 . ? 7.946 21.332 31.945 1.00 60.98 ? 787 HOH A O 1 HETATM 8749 O O . HOH Q 9 . ? 27.606 32.394 -11.660 1.00 56.40 ? 788 HOH A O 1 HETATM 8750 O O . HOH Q 9 . ? 37.212 19.683 -4.735 1.00 47.94 ? 789 HOH A O 1 HETATM 8751 O O . HOH Q 9 . ? 28.986 0.533 29.550 1.00 36.96 ? 790 HOH A O 1 HETATM 8752 O O . HOH Q 9 . ? 44.519 2.422 18.546 1.00 49.70 ? 791 HOH A O 1 HETATM 8753 O O . HOH Q 9 . ? 53.095 9.994 21.563 1.00 38.54 ? 792 HOH A O 1 HETATM 8754 O O . HOH Q 9 . ? 36.121 20.202 4.718 1.00 48.70 ? 793 HOH A O 1 HETATM 8755 O O . HOH Q 9 . ? 7.539 12.020 34.342 1.00 56.51 ? 794 HOH A O 1 HETATM 8756 O O . HOH Q 9 . ? 13.406 23.416 -4.942 1.00 61.57 ? 795 HOH A O 1 HETATM 8757 O O . HOH Q 9 . ? 43.327 10.111 11.217 1.00 30.38 ? 796 HOH A O 1 HETATM 8758 O O . HOH Q 9 . ? 48.671 21.881 26.229 1.00 45.29 ? 797 HOH A O 1 HETATM 8759 O O . HOH Q 9 . ? 33.949 2.417 4.875 1.00 57.73 ? 798 HOH A O 1 HETATM 8760 O O . HOH Q 9 . ? 35.490 8.036 -13.686 1.00 65.99 ? 799 HOH A O 1 HETATM 8761 O O . HOH Q 9 . ? 18.796 -5.659 32.718 1.00 60.32 ? 800 HOH A O 1 HETATM 8762 O O . HOH Q 9 . ? 42.635 -6.995 10.423 1.00 64.39 ? 801 HOH A O 1 HETATM 8763 O O . HOH Q 9 . ? 18.178 2.260 -2.358 1.00 46.84 ? 802 HOH A O 1 HETATM 8764 O O . HOH Q 9 . ? 38.061 17.478 -6.075 1.00 62.08 ? 803 HOH A O 1 HETATM 8765 O O . HOH Q 9 . ? 40.688 -1.449 23.767 1.00 57.50 ? 804 HOH A O 1 HETATM 8766 O O . HOH Q 9 . ? 30.887 32.044 15.014 1.00 55.36 ? 805 HOH A O 1 HETATM 8767 O O . HOH Q 9 . ? 30.636 19.850 -11.718 1.00 50.66 ? 806 HOH A O 1 HETATM 8768 O O . HOH Q 9 . ? 41.114 13.002 33.607 1.00 33.15 ? 807 HOH A O 1 HETATM 8769 O O . HOH Q 9 . ? 36.908 13.253 6.860 1.00 31.66 ? 808 HOH A O 1 HETATM 8770 O O . HOH Q 9 . ? 45.799 10.777 38.609 1.00 67.42 ? 809 HOH A O 1 HETATM 8771 O O . HOH Q 9 . ? 8.954 -6.420 5.958 1.00 58.94 ? 810 HOH A O 1 HETATM 8772 O O . HOH Q 9 . ? 34.600 24.150 18.779 1.00 41.85 ? 811 HOH A O 1 HETATM 8773 O O . HOH Q 9 . ? 44.915 5.423 0.657 1.00 78.70 ? 812 HOH A O 1 HETATM 8774 O O . HOH Q 9 . ? 17.948 24.429 0.774 1.00 56.35 ? 813 HOH A O 1 HETATM 8775 O O . HOH Q 9 . ? 35.116 16.216 -7.544 1.00 48.53 ? 814 HOH A O 1 HETATM 8776 O O . HOH Q 9 . ? 25.921 4.758 46.072 1.00 40.68 ? 815 HOH A O 1 HETATM 8777 O O . HOH Q 9 . ? 28.405 26.617 23.858 1.00 57.40 ? 816 HOH A O 1 HETATM 8778 O O . HOH Q 9 . ? 37.095 3.271 5.046 1.00 58.52 ? 817 HOH A O 1 HETATM 8779 O O . HOH Q 9 . ? 39.134 -4.715 17.508 1.00 50.84 ? 818 HOH A O 1 HETATM 8780 O O . HOH Q 9 . ? 29.906 27.549 -6.156 1.00 37.35 ? 819 HOH A O 1 HETATM 8781 O O . HOH Q 9 . ? 26.363 15.982 18.650 1.00 28.74 ? 820 HOH A O 1 HETATM 8782 O O . HOH Q 9 . ? 18.868 25.534 19.698 1.00 54.95 ? 821 HOH A O 1 HETATM 8783 O O . HOH Q 9 . ? 22.760 4.591 44.316 1.00 62.25 ? 822 HOH A O 1 HETATM 8784 O O . HOH Q 9 . ? 25.720 9.775 52.294 1.00 49.88 ? 823 HOH A O 1 HETATM 8785 O O . HOH Q 9 . ? 13.156 30.939 -3.573 1.00 48.54 ? 824 HOH A O 1 HETATM 8786 O O . HOH Q 9 . ? 13.867 3.731 41.506 1.00 74.33 ? 825 HOH A O 1 HETATM 8787 O O . HOH Q 9 . ? 27.180 9.315 7.755 1.00 37.29 ? 826 HOH A O 1 HETATM 8788 O O . HOH Q 9 . ? 28.858 36.245 21.783 1.00 57.54 ? 827 HOH A O 1 HETATM 8789 O O . HOH Q 9 . ? 9.556 1.426 28.219 1.00 69.71 ? 828 HOH A O 1 HETATM 8790 O O . HOH Q 9 . ? 30.076 21.131 19.185 1.00 31.89 ? 829 HOH A O 1 HETATM 8791 O O . HOH Q 9 . ? 48.311 1.732 14.139 1.00 51.86 ? 830 HOH A O 1 HETATM 8792 O O . HOH Q 9 . ? 46.792 11.202 10.852 1.00 38.30 ? 831 HOH A O 1 HETATM 8793 O O . HOH Q 9 . ? 29.739 12.828 24.787 1.00 27.04 ? 832 HOH A O 1 HETATM 8794 O O . HOH Q 9 . ? 14.876 21.734 14.614 1.00 36.22 ? 833 HOH A O 1 HETATM 8795 O O . HOH Q 9 . ? 20.414 22.881 29.080 1.00 43.14 ? 834 HOH A O 1 HETATM 8796 O O . HOH Q 9 . ? 22.595 24.327 36.241 1.00 61.63 ? 835 HOH A O 1 HETATM 8797 O O . HOH Q 9 . ? 27.931 -0.864 37.409 1.00 34.94 ? 836 HOH A O 1 HETATM 8798 O O . HOH Q 9 . ? 47.150 8.859 27.033 1.00 47.04 ? 837 HOH A O 1 HETATM 8799 O O . HOH Q 9 . ? 19.732 15.300 1.984 1.00 45.63 ? 838 HOH A O 1 HETATM 8800 O O . HOH Q 9 . ? 6.997 21.418 12.118 1.00 55.89 ? 839 HOH A O 1 HETATM 8801 O O . HOH Q 9 . ? 37.535 10.116 4.298 1.00 34.63 ? 840 HOH A O 1 HETATM 8802 O O . HOH Q 9 . ? 40.200 -0.509 31.160 1.00 67.35 ? 841 HOH A O 1 HETATM 8803 O O . HOH Q 9 . ? 17.052 -1.907 34.331 1.00 51.28 ? 842 HOH A O 1 HETATM 8804 O O . HOH Q 9 . ? 12.385 26.038 6.621 1.00 56.28 ? 843 HOH A O 1 HETATM 8805 O O . HOH Q 9 . ? 34.244 29.700 23.893 1.00 73.30 ? 844 HOH A O 1 HETATM 8806 O O . HOH Q 9 . ? 42.135 14.396 31.562 1.00 33.12 ? 845 HOH A O 1 HETATM 8807 O O . HOH Q 9 . ? 31.355 25.701 -12.780 1.00 43.00 ? 846 HOH A O 1 HETATM 8808 O O . HOH Q 9 . ? 34.310 -1.108 41.633 1.00 41.98 ? 847 HOH A O 1 HETATM 8809 O O . HOH Q 9 . ? 32.947 17.322 32.625 1.00 32.79 ? 848 HOH A O 1 HETATM 8810 O O . HOH Q 9 . ? 32.466 0.934 41.637 1.00 39.68 ? 849 HOH A O 1 HETATM 8811 O O . HOH Q 9 . ? 34.957 -2.249 33.266 1.00 49.67 ? 850 HOH A O 1 HETATM 8812 O O . HOH Q 9 . ? 25.282 20.829 -16.923 1.00 63.04 ? 851 HOH A O 1 HETATM 8813 O O . HOH Q 9 . ? 5.900 12.564 14.236 1.00 40.97 ? 852 HOH A O 1 HETATM 8814 O O . HOH Q 9 . ? 45.983 -3.189 20.317 1.00 70.01 ? 853 HOH A O 1 HETATM 8815 O O . HOH Q 9 . ? 47.479 8.132 17.769 1.00 34.88 ? 854 HOH A O 1 HETATM 8816 O O . HOH Q 9 . ? 26.660 19.669 46.295 1.00 51.94 ? 855 HOH A O 1 HETATM 8817 O O . HOH Q 9 . ? 39.645 3.823 45.302 1.00 44.77 ? 856 HOH A O 1 HETATM 8818 O O . HOH Q 9 . ? 41.287 27.020 19.741 1.00 47.46 ? 857 HOH A O 1 HETATM 8819 O O . HOH Q 9 . ? 35.610 17.964 24.552 1.00 36.58 ? 858 HOH A O 1 HETATM 8820 O O . HOH Q 9 . ? 30.536 31.900 -7.179 1.00 52.12 ? 859 HOH A O 1 HETATM 8821 O O . HOH Q 9 . ? 50.892 3.661 7.380 1.00 52.54 ? 860 HOH A O 1 HETATM 8822 O O . HOH Q 9 . ? 12.213 23.432 7.361 1.00 49.62 ? 861 HOH A O 1 HETATM 8823 O O . HOH Q 9 . ? 50.262 23.430 24.631 1.00 53.09 ? 862 HOH A O 1 HETATM 8824 O O . HOH Q 9 . ? 33.417 19.833 29.239 1.00 35.84 ? 863 HOH A O 1 HETATM 8825 O O . HOH Q 9 . ? 50.134 0.779 15.919 1.00 56.18 ? 864 HOH A O 1 HETATM 8826 O O . HOH Q 9 . ? 31.545 11.910 51.463 1.00 55.74 ? 865 HOH A O 1 HETATM 8827 O O . HOH Q 9 . ? 48.587 26.022 22.924 1.00 48.65 ? 866 HOH A O 1 HETATM 8828 O O . HOH Q 9 . ? 40.279 -2.522 19.620 1.00 55.94 ? 867 HOH A O 1 HETATM 8829 O O . HOH Q 9 . ? 19.670 -5.170 28.144 1.00 59.46 ? 868 HOH A O 1 HETATM 8830 O O . HOH Q 9 . ? 25.713 15.007 10.351 1.00 45.91 ? 869 HOH A O 1 HETATM 8831 O O . HOH Q 9 . ? 9.840 -2.107 7.106 1.00 51.52 ? 870 HOH A O 1 HETATM 8832 O O . HOH Q 9 . ? 44.025 15.810 25.056 1.00 38.03 ? 871 HOH A O 1 HETATM 8833 O O . HOH Q 9 . ? 13.676 9.238 42.237 1.00 60.14 ? 872 HOH A O 1 HETATM 8834 O O . HOH Q 9 . ? 20.537 18.589 3.014 1.00 39.95 ? 873 HOH A O 1 HETATM 8835 O O . HOH Q 9 . ? 28.780 9.097 52.556 1.00 60.64 ? 874 HOH A O 1 HETATM 8836 O O . HOH Q 9 . ? 7.936 -2.726 16.888 1.00 55.76 ? 875 HOH A O 1 HETATM 8837 O O . HOH Q 9 . ? 29.730 2.687 45.804 1.00 39.21 ? 876 HOH A O 1 HETATM 8838 O O . HOH Q 9 . ? 12.577 23.083 -9.796 1.00 59.40 ? 877 HOH A O 1 HETATM 8839 O O . HOH Q 9 . ? 40.758 17.448 12.519 1.00 39.46 ? 878 HOH A O 1 HETATM 8840 O O . HOH Q 9 . ? 37.076 -3.966 26.282 1.00 59.04 ? 879 HOH A O 1 HETATM 8841 O O . HOH Q 9 . ? 34.929 28.076 10.562 1.00 66.99 ? 880 HOH A O 1 HETATM 8842 O O . HOH Q 9 . ? 33.486 15.161 17.256 1.00 26.70 ? 881 HOH A O 1 HETATM 8843 O O . HOH Q 9 . ? 51.568 12.984 31.429 1.00 55.90 ? 882 HOH A O 1 HETATM 8844 O O . HOH Q 9 . ? 36.852 3.279 45.932 1.00 45.75 ? 883 HOH A O 1 HETATM 8845 O O . HOH Q 9 . ? 9.537 7.764 1.045 1.00 49.20 ? 884 HOH A O 1 HETATM 8846 O O . HOH Q 9 . ? 37.304 17.042 38.337 1.00 51.02 ? 885 HOH A O 1 HETATM 8847 O O . HOH Q 9 . ? 21.256 33.749 10.304 1.00 50.01 ? 886 HOH A O 1 HETATM 8848 O O . HOH Q 9 . ? 43.015 28.025 14.956 1.00 61.68 ? 887 HOH A O 1 HETATM 8849 O O . HOH Q 9 . ? 47.759 0.386 11.863 1.00 52.38 ? 888 HOH A O 1 HETATM 8850 O O . HOH Q 9 . ? 51.222 7.691 2.982 1.00 52.08 ? 889 HOH A O 1 HETATM 8851 O O . HOH Q 9 . ? 21.857 19.637 48.033 1.00 51.34 ? 890 HOH A O 1 HETATM 8852 O O . HOH Q 9 . ? 32.639 22.353 21.708 1.00 36.77 ? 891 HOH A O 1 HETATM 8853 O O . HOH Q 9 . ? 32.924 21.036 6.170 1.00 39.24 ? 892 HOH A O 1 HETATM 8854 O O . HOH Q 9 . ? 58.995 15.218 23.131 1.00 56.97 ? 893 HOH A O 1 HETATM 8855 O O . HOH Q 9 . ? 16.774 26.213 17.983 1.00 57.71 ? 894 HOH A O 1 HETATM 8856 O O . HOH Q 9 . ? 13.117 6.968 -4.313 1.00 49.87 ? 895 HOH A O 1 HETATM 8857 O O . HOH Q 9 . ? 41.892 19.589 18.080 1.00 37.27 ? 896 HOH A O 1 HETATM 8858 O O . HOH Q 9 . ? 27.297 23.532 38.500 1.00 71.76 ? 897 HOH A O 1 HETATM 8859 O O . HOH Q 9 . ? 29.413 8.247 -1.956 1.00 62.73 ? 898 HOH A O 1 HETATM 8860 O O . HOH Q 9 . ? 37.987 15.312 51.045 1.00 56.48 ? 899 HOH A O 1 HETATM 8861 O O . HOH Q 9 . ? 46.476 21.668 27.775 1.00 49.49 ? 900 HOH A O 1 HETATM 8862 O O . HOH Q 9 . ? 46.867 8.680 0.524 1.00 56.30 ? 901 HOH A O 1 HETATM 8863 O O . HOH Q 9 . ? 34.098 18.619 38.772 1.00 47.55 ? 902 HOH A O 1 HETATM 8864 O O . HOH Q 9 . ? 38.974 -3.538 2.473 1.00 64.99 ? 903 HOH A O 1 HETATM 8865 O O . HOH Q 9 . ? 36.495 5.451 39.168 1.00 44.38 ? 904 HOH A O 1 HETATM 8866 O O . HOH Q 9 . ? 32.310 17.420 29.815 1.00 33.62 ? 905 HOH A O 1 HETATM 8867 O O . HOH Q 9 . ? 24.418 24.281 23.439 1.00 36.56 ? 906 HOH A O 1 HETATM 8868 O O . HOH Q 9 . ? 43.989 16.360 36.300 1.00 53.29 ? 907 HOH A O 1 HETATM 8869 O O . HOH Q 9 . ? 50.812 17.975 25.962 1.00 44.14 ? 908 HOH A O 1 HETATM 8870 O O . HOH Q 9 . ? 36.583 1.975 36.944 1.00 45.60 ? 909 HOH A O 1 HETATM 8871 O O . HOH Q 9 . ? 57.059 13.972 25.123 1.00 53.20 ? 910 HOH A O 1 HETATM 8872 O O . HOH Q 9 . ? 26.016 -7.064 30.131 1.00 66.83 ? 911 HOH A O 1 HETATM 8873 O O . HOH Q 9 . ? 8.415 -4.224 9.985 1.00 54.53 ? 912 HOH A O 1 HETATM 8874 O O . HOH Q 9 . ? 22.203 34.963 17.552 1.00 55.56 ? 913 HOH A O 1 HETATM 8875 O O . HOH Q 9 . ? 1.183 6.091 8.729 1.00 63.84 ? 914 HOH A O 1 HETATM 8876 O O . HOH Q 9 . ? 13.537 11.183 2.162 1.00 71.20 ? 915 HOH A O 1 HETATM 8877 O O . HOH Q 9 . ? 44.894 11.853 -0.831 1.00 56.89 ? 916 HOH A O 1 HETATM 8878 O O . HOH Q 9 . ? 41.724 17.952 37.410 1.00 62.81 ? 917 HOH A O 1 HETATM 8879 O O . HOH Q 9 . ? 29.309 23.319 35.596 1.00 56.50 ? 918 HOH A O 1 HETATM 8880 O O . HOH Q 9 . ? 38.507 12.631 4.679 1.00 35.80 ? 919 HOH A O 1 HETATM 8881 O O . HOH Q 9 . ? 5.484 19.301 11.930 1.00 59.16 ? 920 HOH A O 1 HETATM 8882 O O . HOH Q 9 . ? 39.521 5.092 49.152 1.00 49.69 ? 921 HOH A O 1 HETATM 8883 O O . HOH Q 9 . ? 12.125 6.544 -1.614 1.00 56.45 ? 922 HOH A O 1 HETATM 8884 O O . HOH Q 9 . ? 44.440 11.820 9.282 1.00 35.77 ? 923 HOH A O 1 HETATM 8885 O O . HOH Q 9 . ? 39.340 16.334 1.039 1.00 41.76 ? 924 HOH A O 1 HETATM 8886 O O . HOH Q 9 . ? 26.400 25.391 25.689 1.00 49.58 ? 925 HOH A O 1 HETATM 8887 O O . HOH Q 9 . ? 22.308 29.360 -14.308 1.00 64.78 ? 926 HOH A O 1 HETATM 8888 O O . HOH Q 9 . ? 55.229 20.654 2.899 1.00 63.03 ? 927 HOH A O 1 HETATM 8889 O O . HOH Q 9 . ? 44.595 20.956 34.253 1.00 69.80 ? 928 HOH A O 1 HETATM 8890 O O . HOH Q 9 . ? 57.185 14.188 3.742 1.00 66.91 ? 929 HOH A O 1 HETATM 8891 O O . HOH Q 9 . ? 15.555 26.969 -15.986 1.00 56.74 ? 930 HOH A O 1 HETATM 8892 O O . HOH Q 9 . ? 38.003 18.039 44.131 1.00 63.01 ? 931 HOH A O 1 HETATM 8893 O O . HOH Q 9 . ? 15.108 8.805 -4.188 1.00 48.99 ? 932 HOH A O 1 HETATM 8894 O O . HOH Q 9 . ? 46.144 11.045 18.246 1.00 43.30 ? 933 HOH A O 1 HETATM 8895 O O . HOH Q 9 . ? 33.752 24.684 13.636 1.00 67.27 ? 934 HOH A O 1 HETATM 8896 O O . HOH Q 9 . ? 40.486 3.974 39.532 1.00 42.42 ? 935 HOH A O 1 HETATM 8897 O O . HOH Q 9 . ? 42.485 13.805 36.018 1.00 45.13 ? 936 HOH A O 1 HETATM 8898 O O . HOH Q 9 . ? 28.456 4.816 47.058 1.00 36.29 ? 937 HOH A O 1 HETATM 8899 O O . HOH Q 9 . ? 18.862 15.657 4.542 1.00 38.55 ? 938 HOH A O 1 HETATM 8900 O O . HOH Q 9 . ? 2.284 9.732 17.163 1.00 50.75 ? 939 HOH A O 1 HETATM 8901 O O . HOH Q 9 . ? 8.190 14.990 35.433 1.00 48.39 ? 940 HOH A O 1 HETATM 8902 O O . HOH Q 9 . ? 19.242 22.687 44.126 1.00 67.72 ? 941 HOH A O 1 HETATM 8903 O O . HOH Q 9 . ? 42.944 17.902 23.692 1.00 40.21 ? 942 HOH A O 1 HETATM 8904 O O . HOH Q 9 . ? 3.467 16.090 18.613 1.00 48.50 ? 943 HOH A O 1 HETATM 8905 O O . HOH Q 9 . ? 49.214 22.837 3.223 1.00 56.35 ? 944 HOH A O 1 HETATM 8906 O O . HOH Q 9 . ? 24.695 19.749 50.590 1.00 60.48 ? 945 HOH A O 1 HETATM 8907 O O . HOH Q 9 . ? 49.362 5.390 27.196 1.00 57.49 ? 946 HOH A O 1 HETATM 8908 O O . HOH Q 9 . ? 46.498 5.938 43.132 1.00 55.80 ? 947 HOH A O 1 HETATM 8909 O O . HOH Q 9 . ? 41.074 21.046 -4.700 1.00 55.26 ? 948 HOH A O 1 HETATM 8910 O O . HOH Q 9 . ? 23.684 20.506 45.805 1.00 49.06 ? 949 HOH A O 1 HETATM 8911 O O . HOH Q 9 . ? 31.496 10.822 48.923 1.00 45.58 ? 950 HOH A O 1 HETATM 8912 O O . HOH Q 9 . ? 31.105 8.772 6.711 1.00 34.47 ? 951 HOH A O 1 HETATM 8913 O O . HOH Q 9 . ? 6.098 8.552 22.499 1.00 49.23 ? 952 HOH A O 1 HETATM 8914 O O . HOH Q 9 . ? 6.535 17.569 7.533 1.00 77.72 ? 953 HOH A O 1 HETATM 8915 O O . HOH Q 9 . ? 14.192 12.676 39.833 1.00 55.89 ? 954 HOH A O 1 HETATM 8916 O O . HOH Q 9 . ? 46.282 2.451 3.158 1.00 53.58 ? 955 HOH A O 1 HETATM 8917 O O . HOH Q 9 . ? 23.401 19.926 33.818 1.00 57.04 ? 956 HOH A O 1 HETATM 8918 O O . HOH Q 9 . ? 36.461 24.479 2.009 1.00 69.68 ? 957 HOH A O 1 HETATM 8919 O O . HOH Q 9 . ? 14.289 4.881 32.814 1.00 58.02 ? 958 HOH A O 1 HETATM 8920 O O . HOH Q 9 . ? 22.629 -5.629 36.750 1.00 60.05 ? 959 HOH A O 1 HETATM 8921 O O . HOH Q 9 . ? 54.856 14.210 30.246 1.00 60.61 ? 960 HOH A O 1 HETATM 8922 O O . HOH Q 9 . ? 33.089 -6.681 13.646 1.00 73.05 ? 961 HOH A O 1 HETATM 8923 O O . HOH Q 9 . ? 42.912 23.488 33.825 1.00 57.64 ? 962 HOH A O 1 HETATM 8924 O O . HOH Q 9 . ? 38.664 13.157 -13.811 1.00 73.34 ? 963 HOH A O 1 HETATM 8925 O O . HOH Q 9 . ? 43.083 0.103 19.228 1.00 57.59 ? 964 HOH A O 1 HETATM 8926 O O . HOH Q 9 . ? 6.037 6.444 1.481 1.00 60.15 ? 965 HOH A O 1 HETATM 8927 O O . HOH Q 9 . ? 37.127 -1.588 34.770 1.00 51.98 ? 966 HOH A O 1 HETATM 8928 O O . HOH Q 9 . ? 32.724 -9.270 10.205 1.00 70.28 ? 967 HOH A O 1 HETATM 8929 O O . HOH Q 9 . ? 38.709 22.696 2.084 1.00 63.40 ? 968 HOH A O 1 HETATM 8930 O O . HOH Q 9 . ? 51.030 15.169 1.339 1.00 53.58 ? 969 HOH A O 1 HETATM 8931 O O . HOH Q 9 . ? 39.944 28.357 26.971 1.00 43.48 ? 970 HOH A O 1 HETATM 8932 O O . HOH Q 9 . ? 25.659 33.481 21.183 1.00 59.02 ? 971 HOH A O 1 HETATM 8933 O O . HOH Q 9 . ? 40.690 11.726 1.470 1.00 37.00 ? 972 HOH A O 1 HETATM 8934 O O . HOH Q 9 . ? 37.123 -5.904 16.198 1.00 46.90 ? 973 HOH A O 1 HETATM 8935 O O . HOH Q 9 . ? 40.628 28.076 17.175 1.00 51.90 ? 974 HOH A O 1 HETATM 8936 O O . HOH Q 9 . ? 47.560 18.076 0.991 1.00 51.06 ? 975 HOH A O 1 HETATM 8937 O O . HOH Q 9 . ? 41.280 7.605 2.925 1.00 38.61 ? 976 HOH A O 1 HETATM 8938 O O . HOH Q 9 . ? 14.094 33.470 -2.505 1.00 57.17 ? 977 HOH A O 1 HETATM 8939 O O . HOH Q 9 . ? 25.746 29.547 -14.863 1.00 50.81 ? 978 HOH A O 1 HETATM 8940 O O . HOH Q 9 . ? 36.467 11.269 -15.434 1.00 65.14 ? 979 HOH A O 1 HETATM 8941 O O . HOH Q 9 . ? 8.854 22.714 10.810 1.00 47.03 ? 980 HOH A O 1 HETATM 8942 O O . HOH Q 9 . ? 21.773 -7.964 29.185 1.00 69.42 ? 981 HOH A O 1 HETATM 8943 O O . HOH Q 9 . ? 16.923 -2.043 2.480 1.00 71.13 ? 982 HOH A O 1 HETATM 8944 O O . HOH Q 9 . ? 10.141 22.115 8.481 1.00 61.91 ? 983 HOH A O 1 HETATM 8945 O O . HOH Q 9 . ? 42.434 26.346 12.311 1.00 73.87 ? 984 HOH A O 1 HETATM 8946 O O . HOH Q 9 . ? 20.017 24.097 39.272 1.00 52.99 ? 985 HOH A O 1 HETATM 8947 O O . HOH Q 9 . ? 4.234 13.721 8.262 1.00 61.27 ? 986 HOH A O 1 HETATM 8948 O O . HOH Q 9 . ? 32.224 24.457 17.012 1.00 41.95 ? 987 HOH A O 1 HETATM 8949 O O . HOH Q 9 . ? 25.057 37.119 12.646 1.00 68.95 ? 988 HOH A O 1 HETATM 8950 O O . HOH Q 9 . ? 39.604 19.243 10.317 1.00 58.69 ? 989 HOH A O 1 HETATM 8951 O O . HOH Q 9 . ? 7.779 15.538 3.705 1.00 59.66 ? 990 HOH A O 1 HETATM 8952 O O . HOH Q 9 . ? 32.959 15.132 60.706 1.00 66.40 ? 991 HOH A O 1 HETATM 8953 O O . HOH Q 9 . ? 26.634 -7.064 25.232 1.00 61.79 ? 992 HOH A O 1 HETATM 8954 O O . HOH Q 9 . ? 42.590 27.698 26.786 1.00 58.63 ? 993 HOH A O 1 HETATM 8955 O O . HOH Q 9 . ? 18.996 37.156 -1.227 1.00 55.49 ? 994 HOH A O 1 HETATM 8956 O O . HOH Q 9 . ? 19.977 -6.787 25.994 1.00 71.63 ? 995 HOH A O 1 HETATM 8957 O O . HOH Q 9 . ? 60.465 4.567 14.511 1.00 71.29 ? 996 HOH A O 1 HETATM 8958 O O . HOH Q 9 . ? 47.486 17.755 33.600 1.00 58.64 ? 997 HOH A O 1 HETATM 8959 O O . HOH Q 9 . ? 46.810 13.736 -1.453 1.00 54.41 ? 998 HOH A O 1 HETATM 8960 O O . HOH Q 9 . ? 12.717 -8.136 5.026 1.00 57.17 ? 999 HOH A O 1 HETATM 8961 O O . HOH Q 9 . ? 38.930 13.753 2.012 1.00 43.53 ? 1000 HOH A O 1 HETATM 8962 O O . HOH Q 9 . ? 14.033 30.201 -13.346 1.00 60.21 ? 1001 HOH A O 1 HETATM 8963 O O . HOH Q 9 . ? 12.290 9.583 0.128 1.00 72.24 ? 1002 HOH A O 1 HETATM 8964 O O . HOH Q 9 . ? 41.433 22.087 1.726 1.00 69.94 ? 1003 HOH A O 1 HETATM 8965 O O . HOH Q 9 . ? 17.714 34.959 4.169 1.00 65.28 ? 1004 HOH A O 1 HETATM 8966 O O . HOH Q 9 . ? 18.024 23.411 32.476 1.00 63.12 ? 1005 HOH A O 1 HETATM 8967 O O . HOH Q 9 . ? 33.009 23.734 -11.800 1.00 51.47 ? 1006 HOH A O 1 HETATM 8968 O O . HOH Q 9 . ? 17.852 13.039 49.773 1.00 63.75 ? 1007 HOH A O 1 HETATM 8969 O O . HOH Q 9 . ? 42.083 11.710 -1.166 1.00 67.85 ? 1008 HOH A O 1 HETATM 8970 O O . HOH Q 9 . ? 8.108 19.942 7.608 1.00 71.15 ? 1009 HOH A O 1 HETATM 8971 O O . HOH Q 9 . ? 33.725 32.282 19.563 1.00 60.80 ? 1010 HOH A O 1 HETATM 8972 O O . HOH Q 9 . ? 33.329 1.547 44.288 1.00 40.64 ? 1011 HOH A O 1 HETATM 8973 O O . HOH Q 9 . ? 6.573 13.647 29.731 1.00 64.13 ? 1012 HOH A O 1 HETATM 8974 O O . HOH Q 9 . ? 11.989 13.253 2.884 1.00 54.55 ? 1013 HOH A O 1 HETATM 8975 O O . HOH Q 9 . ? 44.130 21.338 -0.840 1.00 64.03 ? 1014 HOH A O 1 HETATM 8976 O O . HOH Q 9 . ? 43.284 2.119 25.768 1.00 50.36 ? 1015 HOH A O 1 HETATM 8977 O O . HOH Q 9 . ? 30.865 29.321 -10.444 1.00 51.38 ? 1016 HOH A O 1 HETATM 8978 O O . HOH Q 9 . ? 41.681 1.554 39.745 1.00 47.98 ? 1017 HOH A O 1 HETATM 8979 O O . HOH Q 9 . ? 44.006 0.796 41.034 1.00 47.19 ? 1018 HOH A O 1 HETATM 8980 O O . HOH Q 9 . ? 37.337 2.368 34.017 1.00 58.18 ? 1019 HOH A O 1 HETATM 8981 O O . HOH Q 9 . ? 33.265 22.079 8.712 1.00 60.47 ? 1020 HOH A O 1 HETATM 8982 O O . HOH Q 9 . ? 37.093 22.336 -6.409 1.00 53.37 ? 1021 HOH A O 1 HETATM 8983 O O . HOH Q 9 . ? 42.640 7.200 0.524 1.00 61.73 ? 1022 HOH A O 1 HETATM 8984 O O . HOH Q 9 . ? 28.581 40.687 18.960 1.00 68.44 ? 1023 HOH A O 1 HETATM 8985 O O . HOH Q 9 . ? 51.614 17.633 0.323 1.00 69.35 ? 1024 HOH A O 1 HETATM 8986 O O . HOH Q 9 . ? 9.026 18.514 33.321 1.00 56.21 ? 1025 HOH A O 1 HETATM 8987 O O . HOH Q 9 . ? 39.823 3.034 4.115 1.00 56.66 ? 1026 HOH A O 1 HETATM 8988 O O . HOH Q 9 . ? 53.030 9.594 3.650 1.00 55.61 ? 1027 HOH A O 1 HETATM 8989 O O . HOH Q 9 . ? 35.652 1.061 1.432 1.00 74.82 ? 1028 HOH A O 1 HETATM 8990 O O . HOH Q 9 . ? 25.132 22.413 35.088 1.00 61.57 ? 1029 HOH A O 1 HETATM 8991 O O . HOH Q 9 . ? 4.584 -2.204 21.964 1.00 67.00 ? 1030 HOH A O 1 HETATM 8992 O O . HOH Q 9 . ? 8.011 -3.264 24.468 1.00 65.74 ? 1031 HOH A O 1 HETATM 8993 O O . HOH Q 9 . ? 24.396 20.876 30.871 1.00 48.27 ? 1032 HOH A O 1 HETATM 8994 O O . HOH Q 9 . ? 38.251 3.687 38.015 1.00 52.93 ? 1033 HOH A O 1 HETATM 8995 O O . HOH Q 9 . ? 33.247 -4.354 34.990 1.00 57.82 ? 1034 HOH A O 1 HETATM 8996 O O . HOH Q 9 . ? 39.528 5.659 2.293 1.00 62.96 ? 1035 HOH A O 1 HETATM 8997 O O . HOH Q 9 . ? 50.940 3.536 4.625 1.00 52.80 ? 1036 HOH A O 1 HETATM 8998 O O . HOH Q 9 . ? 32.672 27.922 -12.024 1.00 52.54 ? 1037 HOH A O 1 HETATM 8999 O O . HOH Q 9 . ? 17.489 -5.236 30.300 1.00 62.49 ? 1038 HOH A O 1 HETATM 9000 O O . HOH Q 9 . ? 0.601 11.541 18.619 1.00 58.42 ? 1039 HOH A O 1 HETATM 9001 O O . HOH Q 9 . ? 11.862 34.526 -1.437 1.00 69.35 ? 1040 HOH A O 1 HETATM 9002 O O . HOH Q 9 . ? 35.221 26.673 -6.530 1.00 60.90 ? 1041 HOH A O 1 HETATM 9003 O O . HOH Q 9 . ? 45.825 0.019 4.641 1.00 53.91 ? 1042 HOH A O 1 HETATM 9004 O O . HOH Q 9 . ? 39.852 15.820 38.965 1.00 53.08 ? 1043 HOH A O 1 HETATM 9005 O O . HOH Q 9 . ? 39.464 9.495 2.478 1.00 40.66 ? 1044 HOH A O 1 HETATM 9006 O O . HOH Q 9 . ? 31.447 29.174 -7.674 1.00 51.67 ? 1045 HOH A O 1 HETATM 9007 O O . HOH Q 9 . ? 38.027 8.445 0.417 1.00 53.39 ? 1046 HOH A O 1 HETATM 9008 O O . HOH Q 9 . ? 22.152 25.813 23.441 1.00 49.63 ? 1047 HOH A O 1 HETATM 9009 O O . HOH Q 9 . ? 39.023 0.282 33.461 1.00 54.64 ? 1048 HOH A O 1 HETATM 9010 O O . HOH Q 9 . ? 19.129 25.192 28.739 1.00 60.65 ? 1049 HOH A O 1 HETATM 9011 O O . HOH Q 9 . ? 36.049 28.610 7.719 1.00 74.74 ? 1050 HOH A O 1 HETATM 9012 O O . HOH Q 9 . ? 53.876 11.963 2.623 1.00 60.69 ? 1051 HOH A O 1 HETATM 9013 O O . HOH Q 9 . ? 35.028 24.283 -10.091 1.00 50.43 ? 1052 HOH A O 1 HETATM 9014 O O . HOH Q 9 . ? 30.548 25.907 -15.353 1.00 56.87 ? 1053 HOH A O 1 HETATM 9015 O O . HOH Q 9 . ? 27.627 -6.357 35.201 1.00 56.72 ? 1054 HOH A O 1 HETATM 9016 O O . HOH Q 9 . ? 41.646 1.025 4.469 1.00 46.65 ? 1055 HOH A O 1 HETATM 9017 O O . HOH Q 9 . ? 48.166 19.936 32.199 1.00 65.34 ? 1056 HOH A O 1 HETATM 9018 O O . HOH Q 9 . ? 51.444 13.326 -0.949 1.00 65.61 ? 1057 HOH A O 1 HETATM 9019 O O . HOH Q 9 . ? 9.223 -6.572 11.215 1.00 66.78 ? 1058 HOH A O 1 HETATM 9020 O O . HOH Q 9 . ? 25.248 -6.204 37.123 1.00 54.59 ? 1059 HOH A O 1 HETATM 9021 O O . HOH Q 9 . ? 34.898 27.318 -10.218 1.00 67.09 ? 1060 HOH A O 1 HETATM 9022 O O . HOH Q 9 . ? 34.069 28.606 -7.989 1.00 58.27 ? 1061 HOH A O 1 HETATM 9023 O O . HOH Q 9 . ? 31.609 28.228 -16.329 1.00 66.27 ? 1062 HOH A O 1 HETATM 9024 O O . HOH R 9 . ? 16.869 -2.223 -28.598 1.00 44.61 ? 701 HOH B O 1 HETATM 9025 O O . HOH R 9 . ? 5.136 -5.444 -60.473 1.00 49.45 ? 702 HOH B O 1 HETATM 9026 O O . HOH R 9 . ? 25.172 6.798 -51.383 1.00 50.25 ? 703 HOH B O 1 HETATM 9027 O O . HOH R 9 . ? 12.359 -1.314 -67.867 1.00 39.67 ? 704 HOH B O 1 HETATM 9028 O O . HOH R 9 . ? -12.070 12.989 -58.653 1.00 59.52 ? 705 HOH B O 1 HETATM 9029 O O . HOH R 9 . ? 13.223 -7.993 -45.832 1.00 40.26 ? 706 HOH B O 1 HETATM 9030 O O . HOH R 9 . ? -12.325 14.426 -39.123 1.00 60.72 ? 707 HOH B O 1 HETATM 9031 O O . HOH R 9 . ? 3.185 8.014 -32.812 1.00 31.94 ? 708 HOH B O 1 HETATM 9032 O O . HOH R 9 . ? 11.683 27.456 -32.614 1.00 50.96 ? 709 HOH B O 1 HETATM 9033 O O . HOH R 9 . ? 9.042 1.113 -68.083 1.00 40.25 ? 710 HOH B O 1 HETATM 9034 O O . HOH R 9 . ? 20.707 7.289 -36.511 1.00 40.74 ? 711 HOH B O 1 HETATM 9035 O O . HOH R 9 . ? -8.397 19.872 -29.261 1.00 52.97 ? 712 HOH B O 1 HETATM 9036 O O . HOH R 9 . ? 8.983 9.194 -62.436 1.00 51.15 ? 713 HOH B O 1 HETATM 9037 O O . HOH R 9 . ? 7.645 0.717 -61.611 1.00 34.48 ? 714 HOH B O 1 HETATM 9038 O O . HOH R 9 . ? 16.367 -3.285 -42.434 1.00 36.30 ? 715 HOH B O 1 HETATM 9039 O O . HOH R 9 . ? 12.580 16.957 -14.373 1.00 53.67 ? 716 HOH B O 1 HETATM 9040 O O . HOH R 9 . ? -0.525 7.303 -72.439 1.00 40.23 ? 717 HOH B O 1 HETATM 9041 O O . HOH R 9 . ? 14.702 21.608 -23.294 1.00 57.21 ? 718 HOH B O 1 HETATM 9042 O O . HOH R 9 . ? 15.618 -4.805 -56.576 1.00 37.05 ? 719 HOH B O 1 HETATM 9043 O O . HOH R 9 . ? 14.309 6.681 -67.262 1.00 49.61 ? 720 HOH B O 1 HETATM 9044 O O . HOH R 9 . ? 17.447 -3.046 -55.479 1.00 38.07 ? 721 HOH B O 1 HETATM 9045 O O . HOH R 9 . ? -1.352 3.986 -48.372 1.00 39.75 ? 722 HOH B O 1 HETATM 9046 O O . HOH R 9 . ? 18.672 9.080 -27.672 1.00 57.33 ? 723 HOH B O 1 HETATM 9047 O O . HOH R 9 . ? -2.844 1.170 -36.608 1.00 38.55 ? 724 HOH B O 1 HETATM 9048 O O . HOH R 9 . ? 6.653 0.470 -19.442 1.00 54.76 ? 725 HOH B O 1 HETATM 9049 O O . HOH R 9 . ? -7.674 7.852 -44.784 1.00 40.65 ? 726 HOH B O 1 HETATM 9050 O O . HOH R 9 . ? 2.099 7.870 -20.830 1.00 59.72 ? 727 HOH B O 1 HETATM 9051 O O . HOH R 9 . ? 3.673 4.294 -33.608 1.00 38.45 ? 728 HOH B O 1 HETATM 9052 O O . HOH R 9 . ? -4.908 -6.575 -33.264 1.00 65.10 ? 729 HOH B O 1 HETATM 9053 O O . HOH R 9 . ? 6.372 16.639 -53.466 1.00 32.83 ? 730 HOH B O 1 HETATM 9054 O O . HOH R 9 . ? -1.093 0.529 -74.866 1.00 54.63 ? 731 HOH B O 1 HETATM 9055 O O . HOH R 9 . ? 5.074 -1.648 -13.199 1.00 66.84 ? 732 HOH B O 1 HETATM 9056 O O . HOH R 9 . ? 12.913 15.245 -22.651 1.00 35.77 ? 733 HOH B O 1 HETATM 9057 O O . HOH R 9 . ? -4.086 -5.614 -56.504 1.00 52.40 ? 734 HOH B O 1 HETATM 9058 O O . HOH R 9 . ? 23.006 9.948 -35.685 1.00 59.19 ? 735 HOH B O 1 HETATM 9059 O O . HOH R 9 . ? 3.651 20.450 -28.231 1.00 34.68 ? 736 HOH B O 1 HETATM 9060 O O . HOH R 9 . ? 26.867 8.121 -53.105 1.00 63.40 ? 737 HOH B O 1 HETATM 9061 O O . HOH R 9 . ? 2.323 1.941 -20.184 1.00 66.60 ? 738 HOH B O 1 HETATM 9062 O O . HOH R 9 . ? 4.139 2.426 -40.678 1.00 34.06 ? 739 HOH B O 1 HETATM 9063 O O . HOH R 9 . ? 23.300 -8.474 -26.804 1.00 55.31 ? 740 HOH B O 1 HETATM 9064 O O . HOH R 9 . ? -8.546 2.325 -50.519 1.00 70.06 ? 741 HOH B O 1 HETATM 9065 O O . HOH R 9 . ? 25.329 -10.128 -62.392 1.00 50.25 ? 742 HOH B O 1 HETATM 9066 O O . HOH R 9 . ? 16.649 -8.323 -48.057 1.00 41.17 ? 743 HOH B O 1 HETATM 9067 O O . HOH R 9 . ? 30.981 -11.646 -59.998 1.00 66.57 ? 744 HOH B O 1 HETATM 9068 O O . HOH R 9 . ? 6.649 -8.357 -44.174 1.00 41.32 ? 745 HOH B O 1 HETATM 9069 O O . HOH R 9 . ? -5.697 -2.443 -48.430 1.00 46.05 ? 746 HOH B O 1 HETATM 9070 O O . HOH R 9 . ? 4.432 4.677 -48.016 1.00 32.42 ? 747 HOH B O 1 HETATM 9071 O O . HOH R 9 . ? -1.500 24.773 -47.259 1.00 48.66 ? 748 HOH B O 1 HETATM 9072 O O . HOH R 9 . ? 14.924 2.111 -61.584 1.00 42.05 ? 749 HOH B O 1 HETATM 9073 O O . HOH R 9 . ? -0.994 26.881 -29.779 1.00 40.85 ? 750 HOH B O 1 HETATM 9074 O O . HOH R 9 . ? 18.782 6.581 -26.829 1.00 40.31 ? 751 HOH B O 1 HETATM 9075 O O . HOH R 9 . ? -3.807 24.315 -51.079 1.00 50.67 ? 752 HOH B O 1 HETATM 9076 O O . HOH R 9 . ? 8.672 -8.837 -39.286 1.00 68.71 ? 753 HOH B O 1 HETATM 9077 O O . HOH R 9 . ? 8.463 25.182 -31.526 1.00 39.56 ? 754 HOH B O 1 HETATM 9078 O O . HOH R 9 . ? 20.098 7.648 -12.680 1.00 66.98 ? 755 HOH B O 1 HETATM 9079 O O . HOH R 9 . ? -1.673 -7.296 -44.401 1.00 53.38 ? 756 HOH B O 1 HETATM 9080 O O . HOH R 9 . ? 8.809 -1.274 -60.277 1.00 31.50 ? 757 HOH B O 1 HETATM 9081 O O . HOH R 9 . ? 4.382 -1.051 -43.084 1.00 36.65 ? 758 HOH B O 1 HETATM 9082 O O . HOH R 9 . ? -6.889 22.777 -30.893 1.00 56.73 ? 759 HOH B O 1 HETATM 9083 O O . HOH R 9 . ? 5.517 15.054 -18.415 1.00 43.99 ? 760 HOH B O 1 HETATM 9084 O O . HOH R 9 . ? 31.884 -2.029 -38.251 1.00 61.45 ? 761 HOH B O 1 HETATM 9085 O O . HOH R 9 . ? -6.017 13.941 -22.807 1.00 44.99 ? 762 HOH B O 1 HETATM 9086 O O . HOH R 9 . ? 6.272 -5.146 -41.163 1.00 46.11 ? 763 HOH B O 1 HETATM 9087 O O . HOH R 9 . ? -10.320 24.851 -23.155 1.00 60.05 ? 764 HOH B O 1 HETATM 9088 O O . HOH R 9 . ? 19.274 -8.839 -59.783 1.00 47.94 ? 765 HOH B O 1 HETATM 9089 O O . HOH R 9 . ? 15.634 15.657 -20.994 1.00 46.75 ? 766 HOH B O 1 HETATM 9090 O O . HOH R 9 . ? 16.921 -6.970 -33.879 1.00 58.50 ? 767 HOH B O 1 HETATM 9091 O O . HOH R 9 . ? 29.689 6.586 -49.348 1.00 52.45 ? 768 HOH B O 1 HETATM 9092 O O . HOH R 9 . ? 11.597 3.663 -6.082 1.00 62.21 ? 769 HOH B O 1 HETATM 9093 O O . HOH R 9 . ? 24.093 -3.138 -58.693 1.00 47.47 ? 770 HOH B O 1 HETATM 9094 O O . HOH R 9 . ? 4.388 -3.682 -42.307 1.00 38.75 ? 771 HOH B O 1 HETATM 9095 O O . HOH R 9 . ? -8.849 -0.298 -24.805 1.00 68.71 ? 772 HOH B O 1 HETATM 9096 O O . HOH R 9 . ? 11.210 17.283 -22.877 1.00 41.28 ? 773 HOH B O 1 HETATM 9097 O O . HOH R 9 . ? 4.942 7.965 -63.836 1.00 39.88 ? 774 HOH B O 1 HETATM 9098 O O . HOH R 9 . ? -13.435 3.183 -26.623 1.00 58.62 ? 775 HOH B O 1 HETATM 9099 O O . HOH R 9 . ? -1.609 -1.612 -64.195 1.00 51.98 ? 776 HOH B O 1 HETATM 9100 O O . HOH R 9 . ? 0.022 27.187 -32.230 1.00 36.12 ? 777 HOH B O 1 HETATM 9101 O O . HOH R 9 . ? 15.673 9.730 -56.353 1.00 40.46 ? 778 HOH B O 1 HETATM 9102 O O . HOH R 9 . ? -0.139 26.858 -51.259 1.00 59.64 ? 779 HOH B O 1 HETATM 9103 O O . HOH R 9 . ? 4.318 19.776 -63.874 1.00 59.95 ? 780 HOH B O 1 HETATM 9104 O O . HOH R 9 . ? 22.569 15.338 -50.095 1.00 56.05 ? 781 HOH B O 1 HETATM 9105 O O . HOH R 9 . ? 4.593 -3.499 -20.182 1.00 58.00 ? 782 HOH B O 1 HETATM 9106 O O . HOH R 9 . ? 32.030 -8.955 -43.070 1.00 53.75 ? 783 HOH B O 1 HETATM 9107 O O . HOH R 9 . ? 22.871 6.881 -52.720 1.00 53.94 ? 784 HOH B O 1 HETATM 9108 O O . HOH R 9 . ? 3.175 11.767 -20.091 1.00 48.74 ? 785 HOH B O 1 HETATM 9109 O O . HOH R 9 . ? 23.455 1.703 -32.171 1.00 45.28 ? 786 HOH B O 1 HETATM 9110 O O . HOH R 9 . ? 19.459 10.442 -30.296 1.00 57.92 ? 787 HOH B O 1 HETATM 9111 O O . HOH R 9 . ? 9.043 3.897 -23.563 1.00 50.38 ? 788 HOH B O 1 HETATM 9112 O O . HOH R 9 . ? 6.494 24.480 -25.020 1.00 39.02 ? 789 HOH B O 1 HETATM 9113 O O . HOH R 9 . ? 0.127 19.660 -46.939 1.00 38.44 ? 790 HOH B O 1 HETATM 9114 O O . HOH R 9 . ? -3.605 1.290 -48.235 1.00 41.55 ? 791 HOH B O 1 HETATM 9115 O O . HOH R 9 . ? 34.010 -2.767 -42.807 1.00 58.98 ? 792 HOH B O 1 HETATM 9116 O O . HOH R 9 . ? 22.829 0.370 -52.801 1.00 38.46 ? 793 HOH B O 1 HETATM 9117 O O . HOH R 9 . ? -2.711 0.531 -22.446 1.00 51.66 ? 794 HOH B O 1 HETATM 9118 O O . HOH R 9 . ? 6.648 12.563 -63.850 1.00 58.38 ? 795 HOH B O 1 HETATM 9119 O O . HOH R 9 . ? 22.854 -0.502 -44.864 1.00 39.80 ? 796 HOH B O 1 HETATM 9120 O O . HOH R 9 . ? 22.703 1.233 -36.006 1.00 35.57 ? 797 HOH B O 1 HETATM 9121 O O . HOH R 9 . ? -8.281 4.977 -23.765 1.00 59.97 ? 798 HOH B O 1 HETATM 9122 O O . HOH R 9 . ? 21.923 1.958 -47.313 1.00 37.92 ? 799 HOH B O 1 HETATM 9123 O O . HOH R 9 . ? 24.839 -4.864 -24.004 1.00 55.06 ? 800 HOH B O 1 HETATM 9124 O O . HOH R 9 . ? 18.580 -20.332 -54.860 1.00 71.24 ? 801 HOH B O 1 HETATM 9125 O O . HOH R 9 . ? 29.856 6.586 -42.212 1.00 49.27 ? 802 HOH B O 1 HETATM 9126 O O . HOH R 9 . ? -16.201 8.938 -45.028 1.00 54.06 ? 803 HOH B O 1 HETATM 9127 O O . HOH R 9 . ? 18.070 15.739 -22.008 1.00 52.95 ? 804 HOH B O 1 HETATM 9128 O O . HOH R 9 . ? 29.053 5.696 -54.132 1.00 60.61 ? 805 HOH B O 1 HETATM 9129 O O . HOH R 9 . ? 12.153 30.548 -36.749 1.00 71.35 ? 806 HOH B O 1 HETATM 9130 O O . HOH R 9 . ? 32.323 -11.528 -48.996 1.00 66.13 ? 807 HOH B O 1 HETATM 9131 O O . HOH R 9 . ? 2.915 8.842 -73.056 1.00 48.69 ? 808 HOH B O 1 HETATM 9132 O O . HOH R 9 . ? 13.534 6.863 -33.127 1.00 38.32 ? 809 HOH B O 1 HETATM 9133 O O . HOH R 9 . ? -8.783 16.267 -20.383 1.00 52.77 ? 810 HOH B O 1 HETATM 9134 O O . HOH R 9 . ? 19.475 -1.044 -37.168 1.00 37.76 ? 811 HOH B O 1 HETATM 9135 O O . HOH R 9 . ? 10.388 5.485 -18.623 1.00 58.46 ? 812 HOH B O 1 HETATM 9136 O O . HOH R 9 . ? 9.777 -13.611 -48.082 1.00 45.78 ? 813 HOH B O 1 HETATM 9137 O O . HOH R 9 . ? 18.823 12.444 -55.465 1.00 54.69 ? 814 HOH B O 1 HETATM 9138 O O . HOH R 9 . ? -4.285 1.785 -30.124 1.00 43.50 ? 815 HOH B O 1 HETATM 9139 O O . HOH R 9 . ? 12.571 -4.593 -51.159 1.00 34.97 ? 816 HOH B O 1 HETATM 9140 O O . HOH R 9 . ? 10.777 -6.631 -4.860 1.00 60.54 ? 817 HOH B O 1 HETATM 9141 O O . HOH R 9 . ? -17.729 12.000 -51.246 1.00 62.75 ? 818 HOH B O 1 HETATM 9142 O O . HOH R 9 . ? 20.751 -1.568 -52.058 1.00 50.68 ? 819 HOH B O 1 HETATM 9143 O O . HOH R 9 . ? 21.215 13.263 -51.824 1.00 46.46 ? 820 HOH B O 1 HETATM 9144 O O . HOH R 9 . ? 2.370 -11.836 -50.440 1.00 62.62 ? 821 HOH B O 1 HETATM 9145 O O . HOH R 9 . ? 16.463 -4.169 -65.640 1.00 53.34 ? 822 HOH B O 1 HETATM 9146 O O . HOH R 9 . ? -2.723 -16.536 -31.230 1.00 72.54 ? 823 HOH B O 1 HETATM 9147 O O . HOH R 9 . ? 4.054 10.523 -64.956 1.00 42.25 ? 824 HOH B O 1 HETATM 9148 O O . HOH R 9 . ? 33.264 1.683 -47.096 1.00 55.82 ? 825 HOH B O 1 HETATM 9149 O O . HOH R 9 . ? 13.802 -6.393 -33.298 1.00 51.39 ? 826 HOH B O 1 HETATM 9150 O O . HOH R 9 . ? -8.153 19.033 -20.830 1.00 55.77 ? 827 HOH B O 1 HETATM 9151 O O . HOH R 9 . ? -6.304 -3.512 -55.108 1.00 51.70 ? 828 HOH B O 1 HETATM 9152 O O . HOH R 9 . ? 28.358 5.293 -51.298 1.00 48.93 ? 829 HOH B O 1 HETATM 9153 O O . HOH R 9 . ? 15.797 16.768 -55.839 1.00 64.10 ? 830 HOH B O 1 HETATM 9154 O O . HOH R 9 . ? 1.829 23.845 -19.616 1.00 54.71 ? 831 HOH B O 1 HETATM 9155 O O . HOH R 9 . ? 2.666 25.420 -47.962 1.00 48.26 ? 832 HOH B O 1 HETATM 9156 O O . HOH R 9 . ? 1.777 19.231 -59.951 1.00 42.17 ? 833 HOH B O 1 HETATM 9157 O O . HOH R 9 . ? -6.677 13.982 -26.319 1.00 37.42 ? 834 HOH B O 1 HETATM 9158 O O . HOH R 9 . ? 0.493 0.210 -55.589 1.00 37.93 ? 835 HOH B O 1 HETATM 9159 O O . HOH R 9 . ? -8.886 -0.107 -45.004 1.00 58.23 ? 836 HOH B O 1 HETATM 9160 O O . HOH R 9 . ? -2.070 -12.309 -28.307 1.00 56.11 ? 837 HOH B O 1 HETATM 9161 O O . HOH R 9 . ? 22.737 15.600 -45.809 1.00 40.51 ? 838 HOH B O 1 HETATM 9162 O O . HOH R 9 . ? -6.868 -3.135 -33.384 1.00 62.52 ? 839 HOH B O 1 HETATM 9163 O O . HOH R 9 . ? 9.874 -6.091 -63.963 1.00 37.21 ? 840 HOH B O 1 HETATM 9164 O O . HOH R 9 . ? 14.051 -7.525 -48.353 1.00 43.61 ? 841 HOH B O 1 HETATM 9165 O O . HOH R 9 . ? 7.722 0.896 -24.050 1.00 40.44 ? 842 HOH B O 1 HETATM 9166 O O . HOH R 9 . ? 23.102 -5.359 -33.182 1.00 49.68 ? 843 HOH B O 1 HETATM 9167 O O . HOH R 9 . ? -2.975 -12.732 -25.487 1.00 66.55 ? 844 HOH B O 1 HETATM 9168 O O . HOH R 9 . ? 17.308 0.936 -60.091 1.00 41.51 ? 845 HOH B O 1 HETATM 9169 O O . HOH R 9 . ? -4.885 1.510 -73.256 1.00 47.93 ? 846 HOH B O 1 HETATM 9170 O O . HOH R 9 . ? -15.406 0.753 -52.797 1.00 58.77 ? 847 HOH B O 1 HETATM 9171 O O . HOH R 9 . ? 21.532 -11.350 -22.693 1.00 62.22 ? 848 HOH B O 1 HETATM 9172 O O . HOH R 9 . ? 25.048 -2.991 -46.358 1.00 43.25 ? 849 HOH B O 1 HETATM 9173 O O . HOH R 9 . ? 32.143 1.960 -37.871 1.00 67.98 ? 850 HOH B O 1 HETATM 9174 O O . HOH R 9 . ? 3.659 11.166 -72.095 1.00 54.25 ? 851 HOH B O 1 HETATM 9175 O O . HOH R 9 . ? 4.948 27.208 -26.724 1.00 42.85 ? 852 HOH B O 1 HETATM 9176 O O . HOH R 9 . ? 10.370 -0.017 -43.555 1.00 31.66 ? 853 HOH B O 1 HETATM 9177 O O . HOH R 9 . ? -6.576 3.101 -23.676 1.00 49.22 ? 854 HOH B O 1 HETATM 9178 O O . HOH R 9 . ? -2.698 22.542 -58.096 1.00 61.24 ? 855 HOH B O 1 HETATM 9179 O O . HOH R 9 . ? 17.875 18.306 -27.846 1.00 55.48 ? 856 HOH B O 1 HETATM 9180 O O . HOH R 9 . ? 1.300 -2.196 -15.551 1.00 66.74 ? 857 HOH B O 1 HETATM 9181 O O . HOH R 9 . ? 13.208 -4.183 -55.555 1.00 43.69 ? 858 HOH B O 1 HETATM 9182 O O . HOH R 9 . ? 4.548 0.977 -68.964 1.00 45.95 ? 859 HOH B O 1 HETATM 9183 O O . HOH R 9 . ? 1.651 -2.634 -52.634 1.00 41.92 ? 860 HOH B O 1 HETATM 9184 O O . HOH R 9 . ? -0.353 -18.254 -30.028 1.00 71.44 ? 861 HOH B O 1 HETATM 9185 O O . HOH R 9 . ? 16.615 -8.230 -59.598 1.00 41.14 ? 862 HOH B O 1 HETATM 9186 O O . HOH R 9 . ? -3.504 24.971 -23.630 1.00 61.67 ? 863 HOH B O 1 HETATM 9187 O O . HOH R 9 . ? 11.843 3.430 -74.309 1.00 42.54 ? 864 HOH B O 1 HETATM 9188 O O . HOH R 9 . ? -12.667 2.327 -62.872 1.00 62.59 ? 865 HOH B O 1 HETATM 9189 O O . HOH R 9 . ? 6.517 -2.449 -50.358 1.00 35.58 ? 866 HOH B O 1 HETATM 9190 O O . HOH R 9 . ? 17.570 15.507 -24.748 1.00 55.44 ? 867 HOH B O 1 HETATM 9191 O O . HOH R 9 . ? 4.253 -5.482 -45.634 1.00 40.93 ? 868 HOH B O 1 HETATM 9192 O O . HOH R 9 . ? 18.745 -19.486 -49.030 1.00 63.18 ? 869 HOH B O 1 HETATM 9193 O O . HOH R 9 . ? 22.056 -1.470 -36.413 1.00 38.46 ? 870 HOH B O 1 HETATM 9194 O O . HOH R 9 . ? 20.409 3.994 -61.656 1.00 54.33 ? 871 HOH B O 1 HETATM 9195 O O . HOH R 9 . ? -1.768 -3.289 -60.263 1.00 58.71 ? 872 HOH B O 1 HETATM 9196 O O . HOH R 9 . ? 19.783 1.771 -63.021 1.00 62.19 ? 873 HOH B O 1 HETATM 9197 O O . HOH R 9 . ? 21.144 -5.588 -10.352 1.00 67.76 ? 874 HOH B O 1 HETATM 9198 O O . HOH R 9 . ? -9.329 18.240 -27.232 1.00 57.04 ? 875 HOH B O 1 HETATM 9199 O O . HOH R 9 . ? -4.081 21.123 -20.290 1.00 45.16 ? 876 HOH B O 1 HETATM 9200 O O . HOH R 9 . ? 1.149 21.575 -18.295 1.00 56.74 ? 877 HOH B O 1 HETATM 9201 O O . HOH R 9 . ? 2.875 28.117 -23.931 1.00 55.31 ? 878 HOH B O 1 HETATM 9202 O O . HOH R 9 . ? 4.455 -13.307 -52.887 1.00 49.04 ? 879 HOH B O 1 HETATM 9203 O O . HOH R 9 . ? 12.262 -5.646 -53.690 1.00 40.75 ? 880 HOH B O 1 HETATM 9204 O O . HOH R 9 . ? -2.601 -0.672 -61.022 1.00 48.59 ? 881 HOH B O 1 HETATM 9205 O O . HOH R 9 . ? -18.118 12.398 -63.715 1.00 73.62 ? 882 HOH B O 1 HETATM 9206 O O . HOH R 9 . ? -8.326 7.527 -23.222 1.00 55.82 ? 883 HOH B O 1 HETATM 9207 O O . HOH R 9 . ? 7.903 28.036 -39.466 1.00 63.68 ? 884 HOH B O 1 HETATM 9208 O O . HOH R 9 . ? -0.848 -9.243 -55.777 1.00 47.64 ? 885 HOH B O 1 HETATM 9209 O O . HOH R 9 . ? -10.268 19.314 -31.164 1.00 74.27 ? 886 HOH B O 1 HETATM 9210 O O . HOH R 9 . ? -6.854 -4.111 -50.434 1.00 54.00 ? 887 HOH B O 1 HETATM 9211 O O . HOH R 9 . ? 1.756 -12.261 -46.242 1.00 58.91 ? 888 HOH B O 1 HETATM 9212 O O . HOH R 9 . ? 28.281 -10.481 -37.620 1.00 54.08 ? 889 HOH B O 1 HETATM 9213 O O . HOH R 9 . ? 11.209 13.181 -15.777 1.00 48.00 ? 890 HOH B O 1 HETATM 9214 O O . HOH R 9 . ? -1.199 6.580 -76.466 1.00 61.13 ? 891 HOH B O 1 HETATM 9215 O O . HOH R 9 . ? 17.137 5.557 -34.569 1.00 36.49 ? 892 HOH B O 1 HETATM 9216 O O . HOH R 9 . ? 1.443 0.072 -52.799 1.00 42.26 ? 893 HOH B O 1 HETATM 9217 O O . HOH R 9 . ? -9.075 18.253 -33.726 1.00 56.15 ? 894 HOH B O 1 HETATM 9218 O O . HOH R 9 . ? 15.100 1.954 -68.910 1.00 55.53 ? 895 HOH B O 1 HETATM 9219 O O . HOH R 9 . ? -4.698 12.856 -20.464 1.00 54.99 ? 896 HOH B O 1 HETATM 9220 O O . HOH R 9 . ? 30.210 -4.301 -35.667 1.00 64.24 ? 897 HOH B O 1 HETATM 9221 O O . HOH R 9 . ? 14.354 -13.634 -57.631 1.00 40.51 ? 898 HOH B O 1 HETATM 9222 O O . HOH R 9 . ? -8.285 19.928 -47.277 1.00 67.66 ? 899 HOH B O 1 HETATM 9223 O O . HOH R 9 . ? 11.795 10.712 -16.747 1.00 46.64 ? 900 HOH B O 1 HETATM 9224 O O . HOH R 9 . ? 9.729 21.055 -57.188 1.00 69.37 ? 901 HOH B O 1 HETATM 9225 O O . HOH R 9 . ? -5.633 15.186 -66.581 1.00 63.37 ? 902 HOH B O 1 HETATM 9226 O O . HOH R 9 . ? 23.051 4.743 -35.385 1.00 59.84 ? 903 HOH B O 1 HETATM 9227 O O . HOH R 9 . ? 24.061 -2.542 -43.619 1.00 37.36 ? 904 HOH B O 1 HETATM 9228 O O . HOH R 9 . ? 3.330 17.617 -16.951 1.00 50.24 ? 905 HOH B O 1 HETATM 9229 O O . HOH R 9 . ? -2.846 -0.728 -68.432 1.00 42.20 ? 906 HOH B O 1 HETATM 9230 O O . HOH R 9 . ? 12.481 21.020 -56.630 1.00 69.44 ? 907 HOH B O 1 HETATM 9231 O O . HOH R 9 . ? -8.629 -2.497 -67.390 1.00 69.85 ? 908 HOH B O 1 HETATM 9232 O O . HOH R 9 . ? 12.586 26.578 -28.177 1.00 46.61 ? 909 HOH B O 1 HETATM 9233 O O . HOH R 9 . ? 9.191 14.293 -17.542 1.00 44.94 ? 910 HOH B O 1 HETATM 9234 O O . HOH R 9 . ? 32.226 -1.885 -18.800 1.00 65.24 ? 911 HOH B O 1 HETATM 9235 O O . HOH R 9 . ? -14.380 14.821 -33.316 1.00 55.01 ? 912 HOH B O 1 HETATM 9236 O O . HOH R 9 . ? -3.604 -3.492 -42.163 1.00 51.68 ? 913 HOH B O 1 HETATM 9237 O O . HOH R 9 . ? 22.447 9.527 -52.822 1.00 51.63 ? 914 HOH B O 1 HETATM 9238 O O . HOH R 9 . ? 25.808 -1.975 -35.179 1.00 48.23 ? 915 HOH B O 1 HETATM 9239 O O . HOH R 9 . ? 27.266 1.651 -37.395 1.00 41.75 ? 916 HOH B O 1 HETATM 9240 O O . HOH R 9 . ? 32.731 4.405 -41.393 1.00 53.11 ? 917 HOH B O 1 HETATM 9241 O O . HOH R 9 . ? 0.693 27.389 -22.649 1.00 63.80 ? 918 HOH B O 1 HETATM 9242 O O . HOH R 9 . ? 19.576 -10.785 -32.982 1.00 66.05 ? 919 HOH B O 1 HETATM 9243 O O . HOH R 9 . ? -5.519 -6.565 -46.904 1.00 57.87 ? 920 HOH B O 1 HETATM 9244 O O . HOH R 9 . ? 6.857 4.406 -25.066 1.00 51.42 ? 921 HOH B O 1 HETATM 9245 O O . HOH R 9 . ? 6.551 -0.428 -64.099 1.00 42.12 ? 922 HOH B O 1 HETATM 9246 O O . HOH R 9 . ? 15.098 18.316 -20.955 1.00 55.30 ? 923 HOH B O 1 HETATM 9247 O O . HOH R 9 . ? 23.422 -8.173 -63.428 1.00 62.27 ? 924 HOH B O 1 HETATM 9248 O O . HOH R 9 . ? 17.338 -5.666 -43.330 1.00 49.78 ? 925 HOH B O 1 HETATM 9249 O O . HOH R 9 . ? -14.791 2.748 -60.818 1.00 52.80 ? 926 HOH B O 1 HETATM 9250 O O . HOH R 9 . ? -4.511 -9.824 -22.173 1.00 55.72 ? 927 HOH B O 1 HETATM 9251 O O . HOH R 9 . ? 17.521 -11.605 -31.379 1.00 68.57 ? 928 HOH B O 1 HETATM 9252 O O . HOH R 9 . ? -6.110 -12.898 -34.198 1.00 78.46 ? 929 HOH B O 1 HETATM 9253 O O . HOH R 9 . ? 7.166 12.351 -18.634 1.00 66.15 ? 930 HOH B O 1 HETATM 9254 O O . HOH R 9 . ? 16.822 -7.033 -40.253 1.00 61.93 ? 931 HOH B O 1 HETATM 9255 O O . HOH R 9 . ? 12.280 27.854 -25.825 1.00 52.61 ? 932 HOH B O 1 HETATM 9256 O O . HOH R 9 . ? 1.192 -0.829 -63.484 1.00 66.17 ? 933 HOH B O 1 HETATM 9257 O O . HOH R 9 . ? 10.813 9.844 -67.845 1.00 65.23 ? 934 HOH B O 1 HETATM 9258 O O . HOH R 9 . ? 22.442 17.214 -47.988 1.00 48.64 ? 935 HOH B O 1 HETATM 9259 O O . HOH R 9 . ? 10.278 -14.577 -45.616 1.00 54.46 ? 936 HOH B O 1 HETATM 9260 O O . HOH R 9 . ? 25.710 -11.439 -28.886 1.00 66.84 ? 937 HOH B O 1 HETATM 9261 O O . HOH R 9 . ? 6.020 -7.864 -41.328 1.00 50.94 ? 938 HOH B O 1 HETATM 9262 O O . HOH R 9 . ? 5.683 5.324 -75.077 1.00 67.89 ? 939 HOH B O 1 HETATM 9263 O O . HOH R 9 . ? -5.131 9.861 -18.517 1.00 73.65 ? 940 HOH B O 1 HETATM 9264 O O . HOH R 9 . ? -3.437 -5.259 -44.515 1.00 61.35 ? 941 HOH B O 1 HETATM 9265 O O . HOH R 9 . ? 7.779 4.784 -18.438 1.00 59.05 ? 942 HOH B O 1 HETATM 9266 O O . HOH R 9 . ? -0.550 -6.893 -57.062 1.00 57.54 ? 943 HOH B O 1 HETATM 9267 O O . HOH R 9 . ? 10.042 24.018 -49.533 1.00 62.74 ? 944 HOH B O 1 HETATM 9268 O O . HOH R 9 . ? 31.883 -9.653 -40.404 1.00 56.99 ? 945 HOH B O 1 HETATM 9269 O O . HOH R 9 . ? 29.903 -9.278 -35.338 1.00 62.91 ? 946 HOH B O 1 HETATM 9270 O O . HOH R 9 . ? 9.980 -0.741 -12.255 1.00 60.61 ? 947 HOH B O 1 HETATM 9271 O O . HOH R 9 . ? 23.694 19.347 -45.063 1.00 66.73 ? 948 HOH B O 1 HETATM 9272 O O . HOH R 9 . ? 23.403 -2.934 -34.314 1.00 44.33 ? 949 HOH B O 1 HETATM 9273 O O . HOH R 9 . ? 6.071 26.123 -45.132 1.00 72.92 ? 950 HOH B O 1 HETATM 9274 O O . HOH R 9 . ? 12.112 -6.929 -35.711 1.00 66.27 ? 951 HOH B O 1 HETATM 9275 O O . HOH R 9 . ? 22.225 -11.737 -34.023 1.00 62.20 ? 952 HOH B O 1 HETATM 9276 O O . HOH R 9 . ? -4.674 7.861 -20.423 1.00 74.98 ? 953 HOH B O 1 HETATM 9277 O O . HOH R 9 . ? 9.256 11.822 -61.613 1.00 70.83 ? 954 HOH B O 1 HETATM 9278 O O . HOH R 9 . ? 7.269 9.043 -64.513 1.00 55.58 ? 955 HOH B O 1 HETATM 9279 O O . HOH R 9 . ? 4.478 9.372 -20.428 1.00 67.37 ? 956 HOH B O 1 HETATM 9280 O O . HOH R 9 . ? 28.404 -2.696 -33.833 1.00 67.96 ? 957 HOH B O 1 HETATM 9281 O O . HOH R 9 . ? 34.754 3.385 -42.925 1.00 72.29 ? 958 HOH B O 1 HETATM 9282 O O . HOH R 9 . ? -0.654 -12.118 -49.835 1.00 67.54 ? 959 HOH B O 1 HETATM 9283 O O . HOH R 9 . ? 23.233 -10.892 -25.097 1.00 68.55 ? 960 HOH B O 1 HETATM 9284 O O . HOH R 9 . ? -4.613 2.324 -22.252 1.00 64.61 ? 961 HOH B O 1 HETATM 9285 O O . HOH R 9 . ? 28.483 -13.156 -61.001 1.00 58.88 ? 962 HOH B O 1 HETATM 9286 O O . HOH R 9 . ? 29.778 1.166 -36.181 1.00 64.69 ? 963 HOH B O 1 HETATM 9287 O O . HOH R 9 . ? 32.568 -11.384 -44.152 1.00 55.85 ? 964 HOH B O 1 HETATM 9288 O O . HOH R 9 . ? 26.816 4.463 -36.460 1.00 59.60 ? 965 HOH B O 1 HETATM 9289 O O . HOH R 9 . ? 32.554 6.235 -49.137 1.00 69.23 ? 966 HOH B O 1 HETATM 9290 O O . HOH R 9 . ? -5.200 -1.541 -69.533 1.00 53.28 ? 967 HOH B O 1 HETATM 9291 O O . HOH R 9 . ? -1.861 -3.933 -62.886 1.00 62.21 ? 968 HOH B O 1 HETATM 9292 O O . HOH R 9 . ? -14.630 17.952 -47.476 1.00 71.23 ? 969 HOH B O 1 HETATM 9293 O O . HOH R 9 . ? -7.748 12.961 -69.234 1.00 64.78 ? 970 HOH B O 1 HETATM 9294 O O . HOH R 9 . ? 27.633 6.518 -38.063 1.00 57.77 ? 971 HOH B O 1 HETATM 9295 O O . HOH R 9 . ? 10.830 27.776 -29.846 1.00 60.26 ? 972 HOH B O 1 HETATM 9296 O O . HOH R 9 . ? 2.911 -0.176 -18.620 1.00 68.63 ? 973 HOH B O 1 HETATM 9297 O O . HOH R 9 . ? 2.554 11.841 -17.427 1.00 52.35 ? 974 HOH B O 1 HETATM 9298 O O . HOH R 9 . ? 33.728 4.289 -47.460 1.00 69.31 ? 975 HOH B O 1 HETATM 9299 O O . HOH R 9 . ? 34.702 1.389 -44.727 1.00 64.70 ? 976 HOH B O 1 HETATM 9300 O O . HOH R 9 . ? 34.442 -4.979 -44.357 1.00 57.52 ? 977 HOH B O 1 HETATM 9301 O O . HOH R 9 . ? 0.183 26.624 -48.541 1.00 57.43 ? 978 HOH B O 1 HETATM 9302 O O . HOH R 9 . ? 8.020 -0.934 -66.622 1.00 40.38 ? 979 HOH B O 1 HETATM 9303 O O . HOH R 9 . ? 7.637 -15.063 -48.974 1.00 63.32 ? 980 HOH B O 1 HETATM 9304 O O . HOH R 9 . ? 2.261 21.776 -61.153 1.00 53.02 ? 981 HOH B O 1 HETATM 9305 O O . HOH R 9 . ? 25.461 6.319 -57.303 1.00 70.24 ? 982 HOH B O 1 HETATM 9306 O O . HOH R 9 . ? -8.710 -1.496 -52.467 1.00 66.89 ? 983 HOH B O 1 HETATM 9307 O O . HOH R 9 . ? -1.023 24.775 -19.918 1.00 60.43 ? 984 HOH B O 1 HETATM 9308 O O . HOH R 9 . ? 23.566 7.290 -55.610 1.00 53.06 ? 985 HOH B O 1 HETATM 9309 O O . HOH R 9 . ? 25.349 0.761 -35.701 1.00 45.46 ? 986 HOH B O 1 HETATM 9310 O O . HOH R 9 . ? 11.109 12.248 -65.256 1.00 68.25 ? 987 HOH B O 1 HETATM 9311 O O . HOH R 9 . ? -1.951 -2.600 -66.791 1.00 48.36 ? 988 HOH B O 1 HETATM 9312 O O . HOH R 9 . ? -5.672 -4.114 -40.500 1.00 57.98 ? 989 HOH B O 1 HETATM 9313 O O . HOH R 9 . ? 3.470 -0.101 -65.177 1.00 49.46 ? 990 HOH B O 1 HETATM 9314 O O . HOH R 9 . ? -10.363 7.980 -21.218 1.00 70.11 ? 991 HOH B O 1 HETATM 9315 O O . HOH R 9 . ? 35.644 -0.963 -43.905 1.00 64.26 ? 992 HOH B O 1 HETATM 9316 O O . HOH R 9 . ? 34.254 -7.447 -43.305 1.00 55.83 ? 993 HOH B O 1 HETATM 9317 O O . HOH R 9 . ? 12.849 8.766 -69.292 1.00 72.93 ? 994 HOH B O 1 HETATM 9318 O O . HOH R 9 . ? 1.421 7.052 -76.950 1.00 73.71 ? 995 HOH B O 1 HETATM 9319 O O . HOH R 9 . ? 32.733 6.865 -42.580 1.00 53.53 ? 996 HOH B O 1 HETATM 9320 O O . HOH R 9 . ? -4.162 -4.113 -66.344 1.00 46.52 ? 997 HOH B O 1 HETATM 9321 O O . HOH R 9 . ? 10.249 30.036 -26.131 1.00 70.40 ? 998 HOH B O 1 HETATM 9322 O O . HOH R 9 . ? -3.587 23.702 -20.756 1.00 51.16 ? 999 HOH B O 1 HETATM 9323 O O . HOH R 9 . ? -6.086 -3.779 -68.229 1.00 51.20 ? 1000 HOH B O 1 HETATM 9324 O O . HOH R 9 . ? 7.506 28.464 -31.129 1.00 65.00 ? 1001 HOH B O 1 HETATM 9325 O O . HOH R 9 . ? 29.344 7.649 -39.772 1.00 52.07 ? 1002 HOH B O 1 HETATM 9326 O O . HOH R 9 . ? 23.142 -12.269 -20.526 1.00 60.01 ? 1003 HOH B O 1 HETATM 9327 O O . HOH R 9 . ? 14.203 4.584 -73.828 1.00 53.08 ? 1004 HOH B O 1 HETATM 9328 O O . HOH R 9 . ? 34.471 -10.153 -49.943 1.00 71.78 ? 1005 HOH B O 1 HETATM 9329 O O . HOH R 9 . ? 35.083 -7.231 -40.343 1.00 65.78 ? 1006 HOH B O 1 HETATM 9330 O O . HOH R 9 . ? 9.258 29.861 -29.060 1.00 71.53 ? 1007 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 . GLU A 1 ? 0.9494 0.9885 0.5965 0.0951 -0.0431 0.0657 1 GLU A N 2 C CA . GLU A 1 ? 0.9413 0.9789 0.5865 0.0983 -0.0318 0.0632 1 GLU A CA 3 C C . GLU A 1 ? 1.0135 1.0522 0.6346 0.1044 -0.0284 0.0617 1 GLU A C 4 O O . GLU A 1 ? 1.0444 1.0845 0.6499 0.1061 -0.0343 0.0638 1 GLU A O 5 C CB . GLU A 1 ? 0.9387 0.9804 0.6013 0.0967 -0.0215 0.0724 1 GLU A CB 6 C CG . GLU A 1 ? 0.9903 1.0366 0.6478 0.0985 -0.0168 0.0844 1 GLU A CG 7 C CD . GLU A 1 ? 1.0540 1.1002 0.7283 0.0954 -0.0088 0.0932 1 GLU A CD 8 O OE1 . GLU A 1 ? 0.7562 0.8047 0.4287 0.0956 0.0015 0.0975 1 GLU A OE1 9 O OE2 . GLU A 1 ? 0.8351 0.8792 0.5235 0.0927 -0.0129 0.0960 1 GLU A OE2 10 N N . GLY A 2 ? 0.9434 0.9827 0.5615 0.1081 -0.0187 0.0584 2 GLY A N 11 C CA . GLY A 2 ? 0.9339 0.9757 0.5297 0.1150 -0.0133 0.0569 2 GLY A CA 12 C C . GLY A 2 ? 0.9262 0.9670 0.5188 0.1199 -0.0064 0.0485 2 GLY A C 13 O O . GLY A 2 ? 0.8843 0.9335 0.4721 0.1244 0.0045 0.0519 2 GLY A O 14 N N . ARG A 3 ? 0.8940 0.9248 0.4895 0.1191 -0.0127 0.0381 3 ARG A N 15 C CA . ARG A 3 ? 0.9001 0.9273 0.4915 0.1250 -0.0077 0.0290 3 ARG A CA 16 C C . ARG A 3 ? 0.9339 0.9625 0.5493 0.1216 -0.0042 0.0288 3 ARG A C 17 O O . ARG A 3 ? 0.9551 0.9836 0.5701 0.1271 0.0013 0.0231 3 ARG A O 18 C CB . ARG A 3 ? 0.9313 0.9426 0.5017 0.1282 -0.0174 0.0163 3 ARG A CB 19 C CG . ARG A 3 ? 1.1035 1.1129 0.6454 0.1333 -0.0198 0.0146 3 ARG A CG 20 C CD . ARG A 3 ? 1.2390 1.2559 0.7668 0.1439 -0.0075 0.0142 3 ARG A CD 21 N NE . ARG A 3 ? 1.3883 1.4002 0.8855 0.1495 -0.0109 0.0101 3 ARG A NE 22 C CZ . ARG A 3 ? 1.5363 1.5582 1.0182 0.1571 -0.0015 0.0137 3 ARG A CZ 23 N NH1 . ARG A 3 ? 1.2568 1.2953 0.7521 0.1592 0.0119 0.0221 3 ARG A NH1 24 N NH2 . ARG A 3 ? 1.4378 1.4536 0.8905 0.1620 -0.0057 0.0093 3 ARG A NH2 25 N N . GLU A 4 ? 0.8568 0.8871 0.4926 0.1134 -0.0070 0.0351 4 GLU A N 26 C CA . GLU A 4 ? 0.8303 0.8618 0.4890 0.1093 -0.0042 0.0354 4 GLU A CA 27 C C . GLU A 4 ? 0.8120 0.8567 0.4816 0.1098 0.0083 0.0425 4 GLU A C 28 O O . GLU A 4 ? 0.7884 0.8414 0.4512 0.1112 0.0145 0.0497 4 GLU A O 29 C CB . GLU A 4 ? 0.8365 0.8651 0.5115 0.1009 -0.0114 0.0394 4 GLU A CB 30 C CG . GLU A 4 ? 1.0832 1.1004 0.7530 0.0983 -0.0240 0.0319 4 GLU A CG 31 C CD . GLU A 4 ? 1.5196 1.5373 1.2037 0.0908 -0.0314 0.0367 4 GLU A CD 32 O OE1 . GLU A 4 ? 1.6056 1.6159 1.2884 0.0871 -0.0415 0.0312 4 GLU A OE1 33 O OE2 . GLU A 4 ? 1.4897 1.5148 1.1858 0.0887 -0.0271 0.0461 4 GLU A OE2 34 N N . ASP A 5 ? 0.7237 0.7704 0.4100 0.1081 0.0117 0.0407 5 ASP A N 35 C CA . ASP A 5 ? 0.7004 0.7601 0.4005 0.1065 0.0223 0.0469 5 ASP A CA 36 C C . ASP A 5 ? 0.7561 0.8182 0.4659 0.0987 0.0236 0.0578 5 ASP A C 37 O O . ASP A 5 ? 0.7088 0.7639 0.4299 0.0931 0.0177 0.0588 5 ASP A O 38 C CB . ASP A 5 ? 0.6853 0.7441 0.4016 0.1051 0.0222 0.0421 5 ASP A CB 39 C CG . ASP A 5 ? 0.7274 0.8009 0.4587 0.1029 0.0321 0.0474 5 ASP A CG 40 O OD1 . ASP A 5 ? 0.7512 0.8336 0.4850 0.0990 0.0382 0.0564 5 ASP A OD1 41 O OD2 . ASP A 5 ? 0.7305 0.8064 0.4708 0.1047 0.0332 0.0428 5 ASP A OD2 42 N N . PRO A 6 ? 0.7530 0.8239 0.4566 0.0989 0.0311 0.0661 6 PRO A N 43 C CA . PRO A 6 ? 0.7498 0.8196 0.4594 0.0923 0.0322 0.0768 6 PRO A CA 44 C C . PRO A 6 ? 0.7891 0.8593 0.5192 0.0845 0.0354 0.0808 6 PRO A C 45 O O . PRO A 6 ? 0.7838 0.8482 0.5197 0.0793 0.0345 0.0878 6 PRO A O 46 C CB . PRO A 6 ? 0.7922 0.8711 0.4888 0.0946 0.0403 0.0841 6 PRO A CB 47 C CG . PRO A 6 ? 0.8472 0.9373 0.5399 0.1004 0.0468 0.0787 6 PRO A CG 48 C CD . PRO A 6 ? 0.7834 0.8652 0.4733 0.1056 0.0391 0.0665 6 PRO A CD 49 N N . GLN A 7 ? 0.7415 0.8180 0.4818 0.0843 0.0389 0.0762 7 GLN A N 50 C CA . GLN A 7 ? 0.7286 0.8066 0.4876 0.0768 0.0416 0.0788 7 GLN A CA 51 C C . GLN A 7 ? 0.7175 0.7838 0.4869 0.0741 0.0333 0.0742 7 GLN A C 52 O O . GLN A 7 ? 0.6995 0.7643 0.4829 0.0677 0.0345 0.0766 7 GLN A O 53 C CB . GLN A 7 ? 0.7543 0.8464 0.5196 0.0784 0.0482 0.0760 7 GLN A CB 54 C CG . GLN A 7 ? 0.9345 1.0321 0.7183 0.0698 0.0522 0.0795 7 GLN A CG 55 C CD . GLN A 7 ? 0.9650 1.0619 0.7516 0.0608 0.0568 0.0901 7 GLN A CD 56 O OE1 . GLN A 7 ? 0.8354 0.9393 0.6137 0.0602 0.0629 0.0970 7 GLN A OE1 57 N NE2 . GLN A 7 ? 0.6797 0.7675 0.4776 0.0534 0.0544 0.0917 7 GLN A NE2 58 N N . LEU A 8 ? 0.6494 0.7077 0.4114 0.0782 0.0248 0.0683 8 LEU A N 59 C CA . LEU A 8 ? 0.6146 0.6639 0.3865 0.0754 0.0170 0.0643 8 LEU A CA 60 C C . LEU A 8 ? 0.6453 0.6874 0.4160 0.0737 0.0108 0.0683 8 LEU A C 61 O O . LEU A 8 ? 0.6162 0.6528 0.3942 0.0718 0.0042 0.0653 8 LEU A O 62 C CB . LEU A 8 ? 0.6111 0.6568 0.3784 0.0800 0.0114 0.0538 8 LEU A CB 63 C CG . LEU A 8 ? 0.6297 0.6819 0.3992 0.0836 0.0167 0.0490 8 LEU A CG 64 C CD1 . LEU A 8 ? 0.6338 0.6785 0.3927 0.0898 0.0109 0.0391 8 LEU A CD1 65 C CD2 . LEU A 8 ? 0.5842 0.6396 0.3726 0.0781 0.0194 0.0503 8 LEU A CD2 66 N N . LEU A 9 ? 0.6245 0.6676 0.3861 0.0746 0.0132 0.0759 9 LEU A N 67 C CA . LEU A 9 ? 0.6315 0.6696 0.3905 0.0746 0.0078 0.0811 9 LEU A CA 68 C C . LEU A 9 ? 0.6474 0.6819 0.4143 0.0707 0.0129 0.0902 9 LEU A C 69 O O . LEU A 9 ? 0.6299 0.6661 0.3930 0.0692 0.0205 0.0963 9 LEU A O 70 C CB . LEU A 9 ? 0.6636 0.7038 0.4041 0.0796 0.0054 0.0827 9 LEU A CB 71 C CG . LEU A 9 ? 0.7447 0.7861 0.4728 0.0840 0.0012 0.0730 9 LEU A CG 72 C CD1 . LEU A 9 ? 0.7664 0.8098 0.4740 0.0888 -0.0001 0.0752 9 LEU A CD1 73 C CD2 . LEU A 9 ? 0.7519 0.7878 0.4852 0.0825 -0.0086 0.0652 9 LEU A CD2 74 N N . VAL A 10 ? 0.6033 0.6323 0.3813 0.0686 0.0090 0.0908 10 VAL A N 75 C CA . VAL A 10 ? 0.5988 0.6209 0.3841 0.0654 0.0131 0.0979 10 VAL A CA 76 C C . VAL A 10 ? 0.6428 0.6606 0.4296 0.0684 0.0072 0.1018 10 VAL A C 77 O O . VAL A 10 ? 0.6578 0.6789 0.4483 0.0700 -0.0003 0.0970 10 VAL A O 78 C CB . VAL A 10 ? 0.6256 0.6465 0.4249 0.0601 0.0159 0.0936 10 VAL A CB 79 C CG1 . VAL A 10 ? 0.6236 0.6349 0.4303 0.0567 0.0186 0.0987 10 VAL A CG1 80 C CG2 . VAL A 10 ? 0.6286 0.6563 0.4274 0.0574 0.0226 0.0920 10 VAL A CG2 81 N N . ARG A 11 ? 0.5663 0.5767 0.3506 0.0692 0.0107 0.1105 11 ARG A N 82 C CA . ARG A 11 ? 0.5526 0.5593 0.3394 0.0733 0.0063 0.1150 11 ARG A CA 83 C C . ARG A 11 ? 0.5860 0.5830 0.3832 0.0708 0.0098 0.1162 11 ARG A C 84 O O . ARG A 11 ? 0.5710 0.5597 0.3678 0.0663 0.0167 0.1186 11 ARG A O 85 C CB . ARG A 11 ? 0.5407 0.5447 0.3147 0.0784 0.0067 0.1244 11 ARG A CB 86 C CG . ARG A 11 ? 0.5950 0.5958 0.3720 0.0843 0.0029 0.1303 11 ARG A CG 87 C CD . ARG A 11 ? 0.5467 0.5455 0.3101 0.0905 0.0026 0.1400 11 ARG A CD 88 N NE . ARG A 11 ? 0.5856 0.5970 0.3409 0.0930 -0.0041 0.1380 11 ARG A NE 89 C CZ . ARG A 11 ? 0.7207 0.7424 0.4788 0.0969 -0.0130 0.1371 11 ARG A CZ 90 N NH1 . ARG A 11 ? 0.6345 0.6661 0.3832 0.0980 -0.0193 0.1347 11 ARG A NH1 91 N NH2 . ARG A 11 ? 0.6036 0.6264 0.3734 0.0996 -0.0158 0.1386 11 ARG A NH2 92 N N . VAL A 12 ? 0.5358 0.5345 0.3418 0.0735 0.0048 0.1148 12 VAL A N 93 C CA . VAL A 12 ? 0.5232 0.5126 0.3376 0.0732 0.0075 0.1161 12 VAL A CA 94 C C . VAL A 12 ? 0.5722 0.5602 0.3854 0.0813 0.0047 0.1230 12 VAL A C 95 O O . VAL A 12 ? 0.5669 0.5629 0.3742 0.0859 0.0001 0.1263 12 VAL A O 96 C CB . VAL A 12 ? 0.5442 0.5376 0.3716 0.0690 0.0057 0.1079 12 VAL A CB 97 C CG1 . VAL A 12 ? 0.5357 0.5292 0.3638 0.0620 0.0097 0.1027 12 VAL A CG1 98 C CG2 . VAL A 12 ? 0.5272 0.5334 0.3600 0.0710 -0.0027 0.1036 12 VAL A CG2 99 N N . ARG A 13 ? 0.5612 0.5397 0.3795 0.0835 0.0074 0.1252 13 ARG A N 100 C CA . ARG A 13 ? 0.5744 0.5515 0.3921 0.0929 0.0057 0.1322 13 ARG A CA 101 C C . ARG A 13 ? 0.6144 0.6111 0.4378 0.0975 -0.0029 0.1319 13 ARG A C 102 O O . ARG A 13 ? 0.6221 0.6229 0.4407 0.1052 -0.0056 0.1390 13 ARG A O 103 C CB . ARG A 13 ? 0.5326 0.4976 0.3559 0.0947 0.0099 0.1321 13 ARG A CB 104 C CG . ARG A 13 ? 0.5591 0.5204 0.3806 0.1066 0.0098 0.1400 13 ARG A CG 105 C CD . ARG A 13 ? 0.5870 0.5378 0.3938 0.1125 0.0119 0.1493 13 ARG A CD 106 N NE . ARG A 13 ? 0.6218 0.5721 0.4273 0.1255 0.0109 0.1570 13 ARG A NE 107 C CZ . ARG A 13 ? 0.7385 0.7081 0.5475 0.1329 0.0043 0.1609 13 ARG A CZ 108 N NH1 . ARG A 13 ? 0.6262 0.6153 0.4392 0.1278 -0.0023 0.1572 13 ARG A NH1 109 N NH2 . ARG A 13 ? 0.6664 0.6360 0.4745 0.1455 0.0042 0.1685 13 ARG A NH2 110 N N . GLY A 14 ? 0.5506 0.5588 0.3838 0.0924 -0.0074 0.1242 14 GLY A N 111 C CA . GLY A 14 ? 0.5437 0.5702 0.3828 0.0939 -0.0162 0.1231 14 GLY A CA 112 C C . GLY A 14 ? 0.6047 0.6396 0.4349 0.0922 -0.0219 0.1218 14 GLY A C 113 O O . GLY A 14 ? 0.5973 0.6466 0.4296 0.0935 -0.0300 0.1223 14 GLY A O 114 N N . GLY A 15 ? 0.5555 0.5824 0.3754 0.0889 -0.0179 0.1200 15 GLY A N 115 C CA . GLY A 15 ? 0.5654 0.5989 0.3745 0.0881 -0.0225 0.1183 15 GLY A CA 116 C C . GLY A 15 ? 0.6053 0.6347 0.4092 0.0823 -0.0192 0.1112 15 GLY A C 117 O O . GLY A 15 ? 0.5641 0.5852 0.3717 0.0789 -0.0123 0.1094 15 GLY A O 118 N N . GLN A 16 ? 0.6061 0.6418 0.4008 0.0816 -0.0243 0.1073 16 GLN A N 119 C CA . GLN A 16 ? 0.5994 0.6326 0.3871 0.0782 -0.0213 0.1007 16 GLN A CA 120 C C . GLN A 16 ? 0.6131 0.6472 0.4093 0.0735 -0.0240 0.0912 16 GLN A C 121 O O . GLN A 16 ? 0.6019 0.6408 0.4044 0.0721 -0.0315 0.0884 16 GLN A O 122 C CB . GLN A 16 ? 0.6251 0.6626 0.3962 0.0808 -0.0249 0.1005 16 GLN A CB 123 C CG . GLN A 16 ? 0.7234 0.7580 0.4832 0.0847 -0.0195 0.1095 16 GLN A CG 124 C CD . GLN A 16 ? 0.9136 0.9530 0.6559 0.0875 -0.0232 0.1092 16 GLN A CD 125 O OE1 . GLN A 16 ? 0.8482 0.8943 0.5864 0.0890 -0.0324 0.1082 16 GLN A OE1 126 N NE2 . GLN A 16 ? 0.7028 0.7398 0.4339 0.0880 -0.0160 0.1105 16 GLN A NE2 127 N N . LEU A 17 ? 0.5533 0.5833 0.3493 0.0710 -0.0179 0.0868 17 LEU A N 128 C CA . LEU A 17 ? 0.5509 0.5802 0.3534 0.0674 -0.0192 0.0781 17 LEU A CA 129 C C . LEU A 17 ? 0.6067 0.6359 0.3978 0.0684 -0.0169 0.0726 17 LEU A C 130 O O . LEU A 17 ? 0.5897 0.6198 0.3724 0.0705 -0.0110 0.0763 17 LEU A O 131 C CB . LEU A 17 ? 0.5432 0.5684 0.3583 0.0642 -0.0127 0.0785 17 LEU A CB 132 C CG . LEU A 17 ? 0.5958 0.6189 0.4218 0.0638 -0.0125 0.0832 17 LEU A CG 133 C CD1 . LEU A 17 ? 0.5967 0.6137 0.4295 0.0608 -0.0049 0.0841 17 LEU A CD1 134 C CD2 . LEU A 17 ? 0.5716 0.5987 0.4069 0.0623 -0.0198 0.0794 17 LEU A CD2 135 N N . ARG A 18 ? 0.5809 0.6090 0.3719 0.0673 -0.0212 0.0641 18 ARG A N 136 C CA . ARG A 18 ? 0.5789 0.6060 0.3598 0.0696 -0.0187 0.0578 18 ARG A CA 137 C C . ARG A 18 ? 0.5857 0.6103 0.3774 0.0673 -0.0172 0.0524 18 ARG A C 138 O O . ARG A 18 ? 0.5685 0.5898 0.3666 0.0644 -0.0234 0.0489 18 ARG A O 139 C CB . ARG A 18 ? 0.5687 0.5935 0.3342 0.0719 -0.0265 0.0522 18 ARG A CB 140 C CG . ARG A 18 ? 0.6239 0.6457 0.3766 0.0761 -0.0240 0.0447 18 ARG A CG 141 C CD . ARG A 18 ? 0.8145 0.8307 0.5490 0.0781 -0.0325 0.0385 18 ARG A CD 142 N NE . ARG A 18 ? 0.9278 0.9412 0.6666 0.0727 -0.0431 0.0373 18 ARG A NE 143 C CZ . ARG A 18 ? 1.1180 1.1349 0.8516 0.0712 -0.0501 0.0407 18 ARG A CZ 144 N NH1 . ARG A 18 ? 0.8481 0.8693 0.5695 0.0753 -0.0481 0.0451 18 ARG A NH1 145 N NH2 . ARG A 18 ? 1.0269 1.0440 0.7672 0.0656 -0.0594 0.0402 18 ARG A NH2 146 N N . GLY A 19 ? 0.5277 0.5551 0.3222 0.0680 -0.0090 0.0528 19 GLY A N 147 C CA . GLY A 19 ? 0.5123 0.5394 0.3166 0.0665 -0.0067 0.0485 19 GLY A CA 148 C C . GLY A 19 ? 0.5880 0.6141 0.3825 0.0714 -0.0069 0.0410 19 GLY A C 149 O O . GLY A 19 ? 0.5763 0.5998 0.3557 0.0755 -0.0100 0.0380 19 GLY A O 150 N N . ILE A 20 ? 0.5508 0.5787 0.3533 0.0717 -0.0035 0.0380 20 ILE A N 151 C CA . ILE A 20 ? 0.5615 0.5879 0.3558 0.0778 -0.0031 0.0309 20 ILE A CA 152 C C . ILE A 20 ? 0.5914 0.6296 0.3920 0.0801 0.0060 0.0326 20 ILE A C 153 O O . ILE A 20 ? 0.5616 0.6055 0.3763 0.0748 0.0096 0.0370 20 ILE A O 154 C CB . ILE A 20 ? 0.6007 0.6161 0.3971 0.0766 -0.0107 0.0245 20 ILE A CB 155 C CG1 . ILE A 20 ? 0.6384 0.6472 0.4219 0.0844 -0.0117 0.0164 20 ILE A CG1 156 C CG2 . ILE A 20 ? 0.5654 0.5826 0.3798 0.0712 -0.0098 0.0265 20 ILE A CG2 157 C CD1 . ILE A 20 ? 0.6961 0.6899 0.4772 0.0832 -0.0199 0.0098 20 ILE A CD1 158 N N . ARG A 21 ? 0.5618 0.6039 0.3513 0.0880 0.0096 0.0291 21 ARG A N 159 C CA . ARG A 21 ? 0.5619 0.6182 0.3571 0.0912 0.0181 0.0306 21 ARG A CA 160 C C . ARG A 21 ? 0.6123 0.6651 0.4128 0.0946 0.0158 0.0246 21 ARG A C 161 O O . ARG A 21 ? 0.6240 0.6662 0.4128 0.1014 0.0117 0.0175 21 ARG A O 162 C CB . ARG A 21 ? 0.5895 0.6530 0.3696 0.0996 0.0234 0.0300 21 ARG A CB 163 C CG . ARG A 21 ? 0.6562 0.7387 0.4418 0.1037 0.0329 0.0325 21 ARG A CG 164 C CD . ARG A 21 ? 0.6096 0.6956 0.3769 0.1145 0.0367 0.0294 21 ARG A CD 165 N NE . ARG A 21 ? 0.9013 1.0085 0.6727 0.1199 0.0465 0.0322 21 ARG A NE 166 C CZ . ARG A 21 ? 1.1850 1.2981 0.9582 0.1287 0.0487 0.0276 21 ARG A CZ 167 N NH1 . ARG A 21 ? 1.1111 1.2078 0.8818 0.1326 0.0417 0.0199 21 ARG A NH1 168 N NH2 . ARG A 21 ? 0.9610 1.0971 0.7390 0.1336 0.0580 0.0313 21 ARG A NH2 169 N N . LEU A 22 ? 0.5676 0.6274 0.3846 0.0895 0.0179 0.0275 22 LEU A N 170 C CA . LEU A 22 ? 0.5766 0.6340 0.3994 0.0925 0.0158 0.0229 22 LEU A CA 171 C C . LEU A 22 ? 0.6499 0.7252 0.4778 0.0981 0.0233 0.0240 22 LEU A C 172 O O . LEU A 22 ? 0.6460 0.7372 0.4790 0.0953 0.0301 0.0300 22 LEU A O 173 C CB . LEU A 22 ? 0.5585 0.6118 0.3959 0.0834 0.0121 0.0249 22 LEU A CB 174 C CG . LEU A 22 ? 0.6174 0.6554 0.4527 0.0780 0.0044 0.0240 22 LEU A CG 175 C CD1 . LEU A 22 ? 0.6149 0.6515 0.4648 0.0706 0.0024 0.0261 22 LEU A CD1 176 C CD2 . LEU A 22 ? 0.6217 0.6446 0.4439 0.0831 -0.0024 0.0169 22 LEU A CD2 177 N N . LYS A 23 ? 0.6203 0.6933 0.4467 0.1061 0.0221 0.0188 23 LYS A N 178 C CA . LYS A 23 ? 0.6255 0.7175 0.4581 0.1128 0.0287 0.0200 23 LYS A CA 179 C C . LYS A 23 ? 0.6331 0.7326 0.4838 0.1063 0.0280 0.0227 23 LYS A C 180 O O . LYS A 23 ? 0.6093 0.6950 0.4621 0.1046 0.0218 0.0196 23 LYS A O 181 C CB . LYS A 23 ? 0.6969 0.7823 0.5161 0.1276 0.0283 0.0129 23 LYS A CB 182 C CG . LYS A 23 ? 1.0080 1.0863 0.8066 0.1357 0.0295 0.0092 23 LYS A CG 183 C CD . LYS A 23 ? 1.2167 1.2809 0.9997 0.1498 0.0273 0.0008 23 LYS A CD 184 C CE . LYS A 23 ? 1.3826 1.4389 1.1429 0.1587 0.0286 -0.0037 23 LYS A CE 185 N NZ . LYS A 23 ? 1.5194 1.5639 1.2638 0.1744 0.0285 -0.0115 23 LYS A NZ 186 N N . ALA A 24 ? 0.5874 0.7088 0.4506 0.1017 0.0342 0.0289 24 ALA A N 187 C CA . ALA A 24 ? 0.5672 0.6996 0.4468 0.0960 0.0342 0.0317 24 ALA A CA 188 C C . ALA A 24 ? 0.6185 0.7733 0.5013 0.1062 0.0400 0.0322 24 ALA A C 189 O O . ALA A 24 ? 0.6318 0.7935 0.5050 0.1145 0.0448 0.0319 24 ALA A O 190 C CB . ALA A 24 ? 0.5642 0.7044 0.4543 0.0819 0.0365 0.0385 24 ALA A CB 191 N N . PRO A 25 ? 0.5598 0.7267 0.4546 0.1071 0.0396 0.0331 25 PRO A N 192 C CA . PRO A 25 ? 0.5549 0.7448 0.4525 0.1189 0.0450 0.0338 25 PRO A CA 193 C C . PRO A 25 ? 0.6116 0.8277 0.5124 0.1184 0.0537 0.0397 25 PRO A C 194 O O . PRO A 25 ? 0.6310 0.8585 0.5252 0.1319 0.0587 0.0385 25 PRO A O 195 C CB . PRO A 25 ? 0.5587 0.7593 0.4715 0.1158 0.0425 0.0355 25 PRO A CB 196 C CG . PRO A 25 ? 0.6049 0.7797 0.5163 0.1082 0.0347 0.0325 25 PRO A CG 197 C CD . PRO A 25 ? 0.5513 0.7118 0.4566 0.0989 0.0341 0.0331 25 PRO A CD 198 N N . GLY A 26 ? 0.5513 0.7757 0.4609 0.1033 0.0557 0.0460 26 GLY A N 199 C CA . GLY A 26 ? 0.5515 0.8007 0.4650 0.0999 0.0638 0.0529 26 GLY A CA 200 C C . GLY A 26 ? 0.6246 0.8654 0.5237 0.1010 0.0672 0.0536 26 GLY A C 201 O O . GLY A 26 ? 0.6419 0.9032 0.5424 0.0992 0.0745 0.0596 26 GLY A O 202 N N . GLY A 27 ? 0.5648 0.7770 0.4503 0.1031 0.0617 0.0480 27 GLY A N 203 C CA . GLY A 27 ? 0.5497 0.7525 0.4205 0.1041 0.0637 0.0484 27 GLY A CA 204 C C . GLY A 27 ? 0.5710 0.7448 0.4336 0.0988 0.0562 0.0452 27 GLY A C 205 O O . GLY A 27 ? 0.5284 0.6883 0.3962 0.0950 0.0497 0.0421 27 GLY A O 206 N N . PRO A 28 ? 0.5338 0.6992 0.3835 0.0984 0.0572 0.0464 28 PRO A N 207 C CA . PRO A 28 ? 0.5218 0.6621 0.3643 0.0940 0.0498 0.0438 28 PRO A CA 208 C C . PRO A 28 ? 0.5540 0.6891 0.4067 0.0799 0.0480 0.0492 28 PRO A C 209 O O . PRO A 28 ? 0.5455 0.6945 0.4075 0.0719 0.0531 0.0560 28 PRO A O 210 C CB . PRO A 28 ? 0.5541 0.6903 0.3788 0.0996 0.0516 0.0435 28 PRO A CB 211 C CG . PRO A 28 ? 0.6111 0.7716 0.4381 0.1002 0.0615 0.0501 28 PRO A CG 212 C CD . PRO A 28 ? 0.5549 0.7344 0.3957 0.1028 0.0648 0.0502 28 PRO A CD 213 N N . VAL A 29 ? 0.5153 0.6300 0.3655 0.0770 0.0406 0.0463 29 VAL A N 214 C CA . VAL A 29 ? 0.5075 0.6127 0.3640 0.0661 0.0382 0.0504 29 VAL A CA 215 C C . VAL A 29 ? 0.5575 0.6455 0.4027 0.0674 0.0328 0.0489 29 VAL A C 216 O O . VAL A 29 ? 0.5496 0.6305 0.3844 0.0750 0.0289 0.0430 29 VAL A O 217 C CB . VAL A 29 ? 0.5523 0.6541 0.4223 0.0600 0.0347 0.0492 29 VAL A CB 218 C CG1 . VAL A 29 ? 0.5381 0.6587 0.4196 0.0579 0.0392 0.0512 29 VAL A CG1 219 C CG2 . VAL A 29 ? 0.5555 0.6438 0.4233 0.0649 0.0274 0.0422 29 VAL A CG2 220 N N . SER A 30 ? 0.5027 0.5839 0.3491 0.0601 0.0324 0.0542 30 SER A N 221 C CA . SER A 30 ? 0.5020 0.5694 0.3400 0.0608 0.0269 0.0540 30 SER A CA 222 C C . SER A 30 ? 0.5310 0.5879 0.3777 0.0566 0.0211 0.0521 30 SER A C 223 O O . SER A 30 ? 0.4992 0.5571 0.3566 0.0504 0.0229 0.0546 30 SER A O 224 C CB . SER A 30 ? 0.5357 0.6024 0.3692 0.0569 0.0305 0.0618 30 SER A CB 225 O OG . SER A 30 ? 0.6960 0.7737 0.5215 0.0600 0.0366 0.0647 30 SER A OG 226 N N . ALA A 31 ? 0.5013 0.5487 0.3432 0.0597 0.0141 0.0477 31 ALA A N 227 C CA . ALA A 31 ? 0.4932 0.5322 0.3429 0.0559 0.0086 0.0464 31 ALA A CA 228 C C . ALA A 31 ? 0.5499 0.5816 0.3936 0.0562 0.0032 0.0478 31 ALA A C 229 O O . ALA A 31 ? 0.5400 0.5701 0.3721 0.0605 0.0001 0.0454 31 ALA A O 230 C CB . ALA A 31 ? 0.4966 0.5331 0.3489 0.0582 0.0047 0.0397 31 ALA A CB 231 N N . PHE A 32 ? 0.4823 0.5103 0.3330 0.0520 0.0024 0.0519 32 PHE A N 232 C CA . PHE A 32 ? 0.4912 0.5150 0.3390 0.0524 -0.0026 0.0545 32 PHE A CA 233 C C . PHE A 32 ? 0.5151 0.5355 0.3730 0.0496 -0.0069 0.0526 32 PHE A C 234 O O . PHE A 32 ? 0.4953 0.5144 0.3618 0.0465 -0.0041 0.0553 32 PHE A O 235 C CB . PHE A 32 ? 0.5182 0.5412 0.3643 0.0517 0.0017 0.0622 32 PHE A CB 236 C CG . PHE A 32 ? 0.5417 0.5687 0.3777 0.0538 0.0066 0.0649 32 PHE A CG 237 C CD1 . PHE A 32 ? 0.5708 0.6024 0.4090 0.0513 0.0137 0.0662 32 PHE A CD1 238 C CD2 . PHE A 32 ? 0.5683 0.5958 0.3926 0.0578 0.0040 0.0664 32 PHE A CD2 239 C CE1 . PHE A 32 ? 0.5817 0.6191 0.4109 0.0531 0.0186 0.0693 32 PHE A CE1 240 C CE2 . PHE A 32 ? 0.6180 0.6497 0.4319 0.0600 0.0089 0.0691 32 PHE A CE2 241 C CZ . PHE A 32 ? 0.5919 0.6289 0.4086 0.0577 0.0164 0.0706 32 PHE A CZ 242 N N . LEU A 33 ? 0.4826 0.5011 0.3386 0.0502 -0.0135 0.0474 33 LEU A N 243 C CA . LEU A 33 ? 0.4702 0.4862 0.3349 0.0471 -0.0178 0.0452 33 LEU A CA 244 C C . LEU A 33 ? 0.5198 0.5362 0.3854 0.0458 -0.0243 0.0472 33 LEU A C 245 O O . LEU A 33 ? 0.5287 0.5457 0.3855 0.0474 -0.0285 0.0470 33 LEU A O 246 C CB . LEU A 33 ? 0.4651 0.4774 0.3270 0.0479 -0.0206 0.0384 33 LEU A CB 247 C CG . LEU A 33 ? 0.5055 0.5203 0.3659 0.0507 -0.0148 0.0361 33 LEU A CG 248 C CD1 . LEU A 33 ? 0.5034 0.5128 0.3590 0.0534 -0.0184 0.0294 33 LEU A CD1 249 C CD2 . LEU A 33 ? 0.4916 0.5105 0.3635 0.0475 -0.0092 0.0390 33 LEU A CD2 250 N N . GLY A 34 ? 0.4687 0.4861 0.3448 0.0430 -0.0251 0.0493 34 GLY A N 251 C CA . GLY A 34 ? 0.4709 0.4922 0.3505 0.0417 -0.0308 0.0521 34 GLY A CA 252 C C . GLY A 34 ? 0.5118 0.5375 0.3897 0.0448 -0.0298 0.0585 34 GLY A C 253 O O . GLY A 34 ? 0.4998 0.5307 0.3755 0.0450 -0.0358 0.0603 34 GLY A O 254 N N . ILE A 35 ? 0.4704 0.4939 0.3490 0.0471 -0.0226 0.0624 35 ILE A N 255 C CA . ILE A 35 ? 0.4660 0.4912 0.3422 0.0510 -0.0210 0.0693 35 ILE A CA 256 C C . ILE A 35 ? 0.5161 0.5453 0.4021 0.0518 -0.0221 0.0731 35 ILE A C 257 O O . ILE A 35 ? 0.4953 0.5208 0.3879 0.0507 -0.0180 0.0728 35 ILE A O 258 C CB . ILE A 35 ? 0.4894 0.5082 0.3611 0.0524 -0.0129 0.0725 35 ILE A CB 259 C CG1 . ILE A 35 ? 0.4763 0.4941 0.3394 0.0517 -0.0106 0.0693 35 ILE A CG1 260 C CG2 . ILE A 35 ? 0.4849 0.5029 0.3528 0.0572 -0.0116 0.0803 35 ILE A CG2 261 C CD1 . ILE A 35 ? 0.4662 0.4792 0.3271 0.0505 -0.0023 0.0722 35 ILE A CD1 262 N N . PRO A 36 ? 0.4974 0.5351 0.3844 0.0543 -0.0272 0.0771 36 PRO A N 263 C CA . PRO A 36 ? 0.4876 0.5317 0.3847 0.0565 -0.0273 0.0816 36 PRO A CA 264 C C . PRO A 36 ? 0.5391 0.5759 0.4351 0.0621 -0.0197 0.0868 36 PRO A C 265 O O . PRO A 36 ? 0.5317 0.5643 0.4193 0.0658 -0.0177 0.0905 36 PRO A O 266 C CB . PRO A 36 ? 0.5017 0.5589 0.3990 0.0579 -0.0349 0.0852 36 PRO A CB 267 C CG . PRO A 36 ? 0.5564 0.6106 0.4410 0.0591 -0.0366 0.0847 36 PRO A CG 268 C CD . PRO A 36 ? 0.5044 0.5478 0.3832 0.0556 -0.0332 0.0782 36 PRO A CD 269 N N . PHE A 37 ? 0.4855 0.5190 0.3884 0.0626 -0.0156 0.0869 37 PHE A N 270 C CA . PHE A 37 ? 0.4756 0.4990 0.3753 0.0681 -0.0087 0.0913 37 PHE A CA 271 C C . PHE A 37 ? 0.5276 0.5587 0.4341 0.0748 -0.0087 0.0964 37 PHE A C 272 O O . PHE A 37 ? 0.5280 0.5504 0.4309 0.0814 -0.0035 0.1006 37 PHE A O 273 C CB . PHE A 37 ? 0.4899 0.4998 0.3884 0.0639 -0.0026 0.0873 37 PHE A CB 274 C CG . PHE A 37 ? 0.4866 0.4988 0.3937 0.0605 -0.0026 0.0832 37 PHE A CG 275 C CD1 . PHE A 37 ? 0.5120 0.5224 0.4228 0.0646 0.0007 0.0854 37 PHE A CD1 276 C CD2 . PHE A 37 ? 0.4948 0.5101 0.4052 0.0537 -0.0055 0.0773 37 PHE A CD2 277 C CE1 . PHE A 37 ? 0.5032 0.5162 0.4212 0.0615 0.0009 0.0819 37 PHE A CE1 278 C CE2 . PHE A 37 ? 0.5105 0.5273 0.4281 0.0506 -0.0054 0.0741 37 PHE A CE2 279 C CZ . PHE A 37 ? 0.4817 0.4977 0.4030 0.0541 -0.0022 0.0765 37 PHE A CZ 280 N N . ALA A 38 ? 0.4734 0.5206 0.3894 0.0732 -0.0145 0.0962 38 ALA A N 281 C CA . ALA A 38 ? 0.4594 0.5187 0.3837 0.0795 -0.0146 0.1015 38 ALA A CA 282 C C . ALA A 38 ? 0.5192 0.5994 0.4504 0.0778 -0.0231 0.1040 38 ALA A C 283 O O . ALA A 38 ? 0.5206 0.6036 0.4506 0.0701 -0.0291 0.0998 38 ALA A O 284 C CB . ALA A 38 ? 0.4524 0.5106 0.3839 0.0776 -0.0111 0.0987 38 ALA A CB 285 N N . GLU A 39 ? 0.4839 0.5790 0.4221 0.0851 -0.0238 0.1107 39 GLU A N 286 C CA . GLU A 39 ? 0.4794 0.5979 0.4267 0.0824 -0.0321 0.1138 39 GLU A CA 287 C C . GLU A 39 ? 0.5079 0.6321 0.4644 0.0728 -0.0343 0.1093 39 GLU A C 288 O O . GLU A 39 ? 0.4942 0.6122 0.4539 0.0741 -0.0281 0.1078 39 GLU A O 289 C CB . GLU A 39 ? 0.4991 0.6343 0.4538 0.0934 -0.0308 0.1227 39 GLU A CB 290 C CG . GLU A 39 ? 0.5266 0.6612 0.4732 0.1024 -0.0313 0.1287 39 GLU A CG 291 C CD . GLU A 39 ? 0.6485 0.7929 0.5918 0.0964 -0.0408 0.1286 39 GLU A CD 292 O OE1 . GLU A 39 ? 0.8753 1.0432 0.8280 0.0938 -0.0483 0.1319 39 GLU A OE1 293 O OE2 . GLU A 39 ? 0.5578 0.6867 0.4888 0.0934 -0.0410 0.1248 39 GLU A OE2 294 N N . PRO A 40 ? 0.4613 0.5951 0.4205 0.0631 -0.0430 0.1069 40 PRO A N 295 C CA . PRO A 40 ? 0.4457 0.5833 0.4128 0.0539 -0.0451 0.1035 40 PRO A CA 296 C C . PRO A 40 ? 0.5074 0.6591 0.4870 0.0578 -0.0409 0.1085 40 PRO A C 297 O O . PRO A 40 ? 0.4921 0.6638 0.4794 0.0630 -0.0425 0.1157 40 PRO A O 298 C CB . PRO A 40 ? 0.4675 0.6155 0.4350 0.0444 -0.0560 0.1026 40 PRO A CB 299 C CG . PRO A 40 ? 0.5287 0.6685 0.4835 0.0472 -0.0584 0.1014 40 PRO A CG 300 C CD . PRO A 40 ? 0.4733 0.6139 0.4274 0.0598 -0.0516 0.1074 40 PRO A CD 301 N N . PRO A 41 ? 0.4484 0.5901 0.4293 0.0570 -0.0347 0.1051 41 PRO A N 302 C CA . PRO A 41 ? 0.4388 0.5928 0.4296 0.0623 -0.0294 0.1098 41 PRO A CA 303 C C . PRO A 41 ? 0.4961 0.6711 0.4993 0.0538 -0.0349 0.1124 41 PRO A C 304 O O . PRO A 41 ? 0.4720 0.6474 0.4799 0.0504 -0.0318 0.1113 41 PRO A O 305 C CB . PRO A 41 ? 0.4563 0.5892 0.4409 0.0636 -0.0216 0.1044 41 PRO A CB 306 C CG . PRO A 41 ? 0.5013 0.6200 0.4795 0.0533 -0.0257 0.0971 41 PRO A CG 307 C CD . PRO A 41 ? 0.4519 0.5718 0.4248 0.0520 -0.0320 0.0973 41 PRO A CD 308 N N . VAL A 42 ? 0.4778 0.6706 0.4858 0.0496 -0.0433 0.1163 42 VAL A N 309 C CA . VAL A 42 ? 0.4627 0.6756 0.4816 0.0387 -0.0505 0.1191 42 VAL A CA 310 C C . VAL A 42 ? 0.5055 0.7500 0.5386 0.0439 -0.0509 0.1290 42 VAL A C 311 O O . VAL A 42 ? 0.4899 0.7411 0.5230 0.0563 -0.0477 0.1336 42 VAL A O 312 C CB . VAL A 42 ? 0.4964 0.7044 0.5087 0.0270 -0.0614 0.1151 42 VAL A CB 313 C CG1 . VAL A 42 ? 0.4844 0.6628 0.4831 0.0231 -0.0604 0.1056 42 VAL A CG1 314 C CG2 . VAL A 42 ? 0.4866 0.7041 0.4960 0.0317 -0.0664 0.1187 42 VAL A CG2 315 N N . GLY A 43 ? 0.4532 0.7175 0.4981 0.0341 -0.0550 0.1325 43 GLY A N 316 C CA . GLY A 43 ? 0.4435 0.7429 0.5041 0.0369 -0.0563 0.1425 43 GLY A CA 317 C C . GLY A 43 ? 0.4820 0.7881 0.5471 0.0531 -0.0450 0.1470 43 GLY A C 318 O O . GLY A 43 ? 0.4776 0.7711 0.5406 0.0550 -0.0373 0.1438 43 GLY A O 319 N N . SER A 44 ? 0.4239 0.7466 0.4929 0.0661 -0.0437 0.1538 44 SER A N 320 C CA . SER A 44 ? 0.4186 0.7467 0.4901 0.0842 -0.0328 0.1585 44 SER A CA 321 C C . SER A 44 ? 0.4697 0.7618 0.5252 0.0930 -0.0238 0.1513 44 SER A C 322 O O . SER A 44 ? 0.4818 0.7715 0.5366 0.1053 -0.0141 0.1528 44 SER A O 323 C CB . SER A 44 ? 0.4528 0.8044 0.5302 0.0965 -0.0345 0.1674 44 SER A CB 324 O OG . SER A 44 ? 0.5302 0.8623 0.5943 0.1002 -0.0372 0.1645 44 SER A OG 325 N N . ARG A 45 ? 0.4026 0.6672 0.4449 0.0862 -0.0270 0.1434 45 ARG A N 326 C CA . ARG A 45 ? 0.4017 0.6328 0.4289 0.0915 -0.0199 0.1365 45 ARG A CA 327 C C . ARG A 45 ? 0.4631 0.6784 0.4876 0.0842 -0.0159 0.1298 45 ARG A C 328 O O . ARG A 45 ? 0.4631 0.6533 0.4763 0.0885 -0.0095 0.1246 45 ARG A O 329 C CB . ARG A 45 ? 0.4202 0.6328 0.4354 0.0883 -0.0247 0.1323 45 ARG A CB 330 C CG . ARG A 45 ? 0.3993 0.6224 0.4134 0.0977 -0.0274 0.1388 45 ARG A CG 331 C CD . ARG A 45 ? 0.7888 0.9848 0.7868 0.1004 -0.0260 0.1347 45 ARG A CD 332 N NE . ARG A 45 ? 1.0473 1.2475 1.0417 0.0945 -0.0351 0.1348 45 ARG A NE 333 C CZ . ARG A 45 ? 1.2889 1.4961 1.2802 0.1027 -0.0374 0.1406 45 ARG A CZ 334 N NH1 . ARG A 45 ? 1.1579 1.3686 1.1497 0.1179 -0.0313 0.1472 45 ARG A NH1 335 N NH2 . ARG A 45 ? 1.1707 1.3807 1.1572 0.0964 -0.0458 0.1398 45 ARG A NH2 336 N N . ARG A 46 ? 0.4135 0.6434 0.4478 0.0727 -0.0200 0.1303 46 ARG A N 337 C CA . ARG A 46 ? 0.4045 0.6213 0.4365 0.0659 -0.0166 0.1249 46 ARG A CA 338 C C . ARG A 46 ? 0.4326 0.6463 0.4631 0.0782 -0.0057 0.1259 46 ARG A C 339 O O . ARG A 46 ? 0.4162 0.6507 0.4547 0.0880 -0.0022 0.1330 46 ARG A O 340 C CB . ARG A 46 ? 0.4065 0.6413 0.4494 0.0523 -0.0227 0.1271 46 ARG A CB 341 C CG . ARG A 46 ? 0.4279 0.6481 0.4674 0.0449 -0.0200 0.1219 46 ARG A CG 342 C CD . ARG A 46 ? 0.4099 0.6498 0.4607 0.0332 -0.0244 0.1262 46 ARG A CD 343 N NE . ARG A 46 ? 0.3921 0.6277 0.4414 0.0188 -0.0349 0.1237 46 ARG A NE 344 C CZ . ARG A 46 ? 0.5084 0.7572 0.5654 0.0059 -0.0408 0.1270 46 ARG A CZ 345 N NH1 . ARG A 46 ? 0.3835 0.6535 0.4516 0.0053 -0.0370 0.1336 46 ARG A NH1 346 N NH2 . ARG A 46 ? 0.3343 0.5744 0.3869 -0.0067 -0.0504 0.1239 46 ARG A NH2 347 N N . PHE A 47 ? 0.3860 0.5730 0.4050 0.0782 -0.0005 0.1187 47 PHE A N 348 C CA . PHE A 47 ? 0.3861 0.5620 0.3988 0.0883 0.0096 0.1172 47 PHE A CA 349 C C . PHE A 47 ? 0.4621 0.6255 0.4655 0.1029 0.0152 0.1182 47 PHE A C 350 O O . PHE A 47 ? 0.4788 0.6287 0.4740 0.1116 0.0232 0.1163 47 PHE A O 351 C CB . PHE A 47 ? 0.3954 0.5940 0.4184 0.0913 0.0139 0.1225 47 PHE A CB 352 C CG . PHE A 47 ? 0.3913 0.6058 0.4248 0.0772 0.0085 0.1239 47 PHE A CG 353 C CD1 . PHE A 47 ? 0.4055 0.6027 0.4333 0.0659 0.0063 0.1174 47 PHE A CD1 354 C CD2 . PHE A 47 ? 0.3927 0.6398 0.4415 0.0752 0.0056 0.1323 47 PHE A CD2 355 C CE1 . PHE A 47 ? 0.4014 0.6107 0.4374 0.0531 0.0015 0.1191 47 PHE A CE1 356 C CE2 . PHE A 47 ? 0.4144 0.6745 0.4718 0.0610 0.0006 0.1340 47 PHE A CE2 357 C CZ . PHE A 47 ? 0.3816 0.6211 0.4317 0.0503 -0.0013 0.1274 47 PHE A CZ 358 N N . MET A 48 ? 0.4336 0.6000 0.4368 0.1053 0.0108 0.1210 48 MET A N 359 C CA . MET A 48 ? 0.4548 0.6095 0.4489 0.1191 0.0152 0.1232 48 MET A CA 360 C C . MET A 48 ? 0.5013 0.6246 0.4803 0.1159 0.0156 0.1167 48 MET A C 361 O O . MET A 48 ? 0.4564 0.5741 0.4346 0.1036 0.0100 0.1121 48 MET A O 362 C CB . MET A 48 ? 0.4938 0.6712 0.4960 0.1241 0.0100 0.1311 48 MET A CB 363 C CG . MET A 48 ? 0.5557 0.7681 0.5743 0.1275 0.0095 0.1389 48 MET A CG 364 S SD . MET A 48 ? 0.6445 0.8762 0.6671 0.1451 0.0102 0.1492 48 MET A SD 365 C CE . MET A 48 ? 0.6209 0.8306 0.6306 0.1638 0.0236 0.1481 48 MET A CE 366 N N . PRO A 49 ? 0.5003 0.6031 0.4667 0.1271 0.0222 0.1166 49 PRO A N 367 C CA . PRO A 49 ? 0.5066 0.5813 0.4590 0.1233 0.0225 0.1117 49 PRO A CA 368 C C . PRO A 49 ? 0.5467 0.6269 0.5007 0.1174 0.0149 0.1131 49 PRO A C 369 O O . PRO A 49 ? 0.5343 0.6366 0.4971 0.1204 0.0103 0.1191 49 PRO A O 370 C CB . PRO A 49 ? 0.5503 0.6075 0.4905 0.1380 0.0297 0.1144 49 PRO A CB 371 C CG . PRO A 49 ? 0.5959 0.6642 0.5407 0.1478 0.0354 0.1168 49 PRO A CG 372 C CD . PRO A 49 ? 0.5235 0.6271 0.4869 0.1439 0.0295 0.1215 49 PRO A CD 373 N N . PRO A 50 ? 0.4920 0.5546 0.4380 0.1085 0.0132 0.1076 50 PRO A N 374 C CA . PRO A 50 ? 0.4815 0.5490 0.4274 0.1035 0.0065 0.1086 50 PRO A CA 375 C C . PRO A 50 ? 0.5513 0.6149 0.4902 0.1140 0.0076 0.1147 50 PRO A C 376 O O . PRO A 50 ? 0.5573 0.6034 0.4866 0.1225 0.0142 0.1160 50 PRO A O 377 C CB . PRO A 50 ? 0.4832 0.5317 0.4211 0.0935 0.0065 0.1014 50 PRO A CB 378 C CG . PRO A 50 ? 0.5438 0.5715 0.4730 0.0969 0.0142 0.0989 50 PRO A CG 379 C CD . PRO A 50 ? 0.4976 0.5360 0.4337 0.1031 0.0173 0.1008 50 PRO A CD 380 N N . GLU A 51 ? 0.5379 0.6169 0.4805 0.1133 0.0009 0.1185 51 GLU A N 381 C CA . GLU A 51 ? 0.5502 0.6261 0.4854 0.1224 0.0009 0.1246 51 GLU A CA 382 C C . GLU A 51 ? 0.5559 0.6191 0.4817 0.1145 -0.0019 0.1212 51 GLU A C 383 O O . GLU A 51 ? 0.4990 0.5688 0.4287 0.1037 -0.0072 0.1164 51 GLU A O 384 C CB . GLU A 51 ? 0.5763 0.6806 0.5218 0.1270 -0.0052 0.1316 51 GLU A CB 385 C CG . GLU A 51 ? 0.8315 0.9508 0.7856 0.1386 -0.0015 0.1374 51 GLU A CG 386 C CD . GLU A 51 ? 1.2769 1.4297 1.2443 0.1404 -0.0086 0.1443 51 GLU A CD 387 O OE1 . GLU A 51 ? 1.3405 1.5142 1.3214 0.1361 -0.0105 0.1447 51 GLU A OE1 388 O OE2 . GLU A 51 ? 1.2703 1.4292 1.2346 0.1450 -0.0128 0.1495 51 GLU A OE2 389 N N . PRO A 52 ? 0.5479 0.5928 0.4607 0.1194 0.0016 0.1236 52 PRO A N 390 C CA . PRO A 52 ? 0.5491 0.5850 0.4534 0.1119 -0.0007 0.1210 52 PRO A CA 391 C C . PRO A 52 ? 0.5672 0.6229 0.4755 0.1086 -0.0095 0.1225 52 PRO A C 392 O O . PRO A 52 ? 0.5621 0.6352 0.4755 0.1152 -0.0133 0.1286 52 PRO A O 393 C CB . PRO A 52 ? 0.5953 0.6114 0.4857 0.1197 0.0046 0.1261 52 PRO A CB 394 C CG . PRO A 52 ? 0.6612 0.6678 0.5508 0.1288 0.0109 0.1281 52 PRO A CG 395 C CD . PRO A 52 ? 0.5928 0.6241 0.4971 0.1323 0.0079 0.1294 52 PRO A CD 396 N N . LYS A 53 ? 0.5040 0.5572 0.4093 0.0985 -0.0128 0.1166 53 LYS A N 397 C CA . LYS A 53 ? 0.5025 0.5701 0.4082 0.0944 -0.0211 0.1164 53 LYS A CA 398 C C . LYS A 53 ? 0.5970 0.6666 0.4944 0.1021 -0.0226 0.1236 53 LYS A C 399 O O . LYS A 53 ? 0.6221 0.6749 0.5084 0.1057 -0.0172 0.1258 53 LYS A O 400 C CB . LYS A 53 ? 0.5187 0.5783 0.4194 0.0843 -0.0225 0.1085 53 LYS A CB 401 C CG . LYS A 53 ? 0.5544 0.6235 0.4509 0.0802 -0.0307 0.1070 53 LYS A CG 402 C CD . LYS A 53 ? 0.5971 0.6836 0.5037 0.0751 -0.0388 0.1054 53 LYS A CD 403 C CE . LYS A 53 ? 0.6325 0.7248 0.5322 0.0703 -0.0472 0.1030 53 LYS A CE 404 N NZ . LYS A 53 ? 0.6819 0.7907 0.5906 0.0644 -0.0558 0.1025 53 LYS A NZ 405 N N . ARG A 54 ? 0.5444 0.6348 0.4471 0.1044 -0.0301 0.1279 54 ARG A N 406 C CA . ARG A 54 ? 0.5440 0.6381 0.4387 0.1121 -0.0323 0.1353 54 ARG A CA 407 C C . ARG A 54 ? 0.5807 0.6679 0.4631 0.1057 -0.0353 0.1315 54 ARG A C 408 O O . ARG A 54 ? 0.5584 0.6479 0.4424 0.0960 -0.0393 0.1240 54 ARG A O 409 C CB . ARG A 54 ? 0.5542 0.6754 0.4586 0.1157 -0.0403 0.1411 54 ARG A CB 410 C CG . ARG A 54 ? 0.6534 0.7861 0.5706 0.1238 -0.0371 0.1461 54 ARG A CG 411 C CD . ARG A 54 ? 0.8138 0.9773 0.7425 0.1257 -0.0455 0.1519 54 ARG A CD 412 N NE . ARG A 54 ? 1.0800 1.2565 1.0138 0.1119 -0.0546 0.1464 54 ARG A NE 413 C CZ . ARG A 54 ? 1.2799 1.4777 1.2284 0.1065 -0.0594 0.1467 54 ARG A CZ 414 N NH1 . ARG A 54 ? 1.1499 1.3600 1.1104 0.1142 -0.0550 0.1519 54 ARG A NH1 415 N NH2 . ARG A 54 ? 1.0779 1.2834 1.0282 0.0932 -0.0681 0.1416 54 ARG A NH2 416 N N . PRO A 55 ? 0.5355 0.6150 0.4051 0.1114 -0.0336 0.1367 55 PRO A N 417 C CA . PRO A 55 ? 0.5399 0.6146 0.3972 0.1059 -0.0360 0.1333 55 PRO A CA 418 C C . PRO A 55 ? 0.6207 0.7121 0.4792 0.0997 -0.0466 0.1295 55 PRO A C 419 O O . PRO A 55 ? 0.6070 0.7171 0.4740 0.1014 -0.0533 0.1330 55 PRO A O 420 C CB . PRO A 55 ? 0.5688 0.6368 0.4135 0.1147 -0.0335 0.1421 55 PRO A CB 421 C CG . PRO A 55 ? 0.6178 0.6762 0.4656 0.1231 -0.0265 0.1477 55 PRO A CG 422 C CD . PRO A 55 ? 0.5529 0.6260 0.4173 0.1235 -0.0290 0.1461 55 PRO A CD 423 N N . TRP A 56 ? 0.6019 0.6868 0.4515 0.0926 -0.0479 0.1224 56 TRP A N 424 C CA . TRP A 56 ? 0.5979 0.6932 0.4444 0.0862 -0.0577 0.1174 56 TRP A CA 425 C C . TRP A 56 ? 0.6659 0.7588 0.4950 0.0880 -0.0599 0.1186 56 TRP A C 426 O O . TRP A 56 ? 0.6636 0.7445 0.4830 0.0921 -0.0525 0.1216 56 TRP A O 427 C CB . TRP A 56 ? 0.5602 0.6487 0.4093 0.0770 -0.0579 0.1071 56 TRP A CB 428 C CG . TRP A 56 ? 0.5621 0.6336 0.4031 0.0761 -0.0497 0.1029 56 TRP A CG 429 C CD1 . TRP A 56 ? 0.6021 0.6673 0.4285 0.0753 -0.0491 0.0997 56 TRP A CD1 430 C CD2 . TRP A 56 ? 0.5465 0.6069 0.3934 0.0760 -0.0407 0.1020 56 TRP A CD2 431 N NE1 . TRP A 56 ? 0.5829 0.6357 0.4073 0.0747 -0.0402 0.0975 56 TRP A NE1 432 C CE2 . TRP A 56 ? 0.5882 0.6375 0.4249 0.0744 -0.0353 0.0985 56 TRP A CE2 433 C CE3 . TRP A 56 ? 0.5432 0.6026 0.4024 0.0771 -0.0366 0.1038 56 TRP A CE3 434 C CZ2 . TRP A 56 ? 0.5707 0.6090 0.4102 0.0729 -0.0268 0.0970 56 TRP A CZ2 435 C CZ3 . TRP A 56 ? 0.5557 0.6018 0.4159 0.0759 -0.0283 0.1018 56 TRP A CZ3 436 C CH2 . TRP A 56 ? 0.5643 0.6005 0.4152 0.0732 -0.0238 0.0986 56 TRP A CH2 437 N N . SER A 57 ? 0.6429 0.7469 0.4671 0.0843 -0.0701 0.1163 57 SER A N 438 C CA . SER A 57 ? 0.6533 0.7558 0.4595 0.0856 -0.0731 0.1165 57 SER A CA 439 C C . SER A 57 ? 0.6658 0.7574 0.4619 0.0788 -0.0733 0.1056 57 SER A C 440 O O . SER A 57 ? 0.6567 0.7462 0.4602 0.0723 -0.0751 0.0985 57 SER A O 441 C CB . SER A 57 ? 0.7339 0.8546 0.5383 0.0861 -0.0845 0.1206 57 SER A CB 442 O OG . SER A 57 ? 0.9142 1.0411 0.7210 0.0766 -0.0939 0.1130 57 SER A OG 443 N N . GLY A 58 ? 0.6411 0.7259 0.4202 0.0812 -0.0709 0.1050 58 GLY A N 444 C CA . GLY A 58 ? 0.6407 0.7156 0.4079 0.0773 -0.0701 0.0954 58 GLY A CA 445 C C . GLY A 58 ? 0.6940 0.7575 0.4671 0.0759 -0.0603 0.0912 58 GLY A C 446 O O . GLY A 58 ? 0.6961 0.7572 0.4806 0.0777 -0.0534 0.0959 58 GLY A O 447 N N . VAL A 59 ? 0.6482 0.7044 0.4129 0.0731 -0.0600 0.0823 59 VAL A N 448 C CA . VAL A 59 ? 0.6267 0.6740 0.3958 0.0720 -0.0513 0.0779 59 VAL A CA 449 C C . VAL A 59 ? 0.6849 0.7308 0.4668 0.0664 -0.0549 0.0718 59 VAL A C 450 O O . VAL A 59 ? 0.7224 0.7669 0.4989 0.0627 -0.0628 0.0650 59 VAL A O 451 C CB . VAL A 59 ? 0.6576 0.6990 0.4099 0.0739 -0.0477 0.0723 59 VAL A CB 452 C CG1 . VAL A 59 ? 0.6220 0.6578 0.3803 0.0735 -0.0380 0.0695 59 VAL A CG1 453 C CG2 . VAL A 59 ? 0.6563 0.7003 0.3938 0.0789 -0.0456 0.0786 59 VAL A CG2 454 N N . LEU A 60 ? 0.6049 0.6501 0.4023 0.0656 -0.0495 0.0745 60 LEU A N 455 C CA . LEU A 60 ? 0.5872 0.6312 0.3972 0.0606 -0.0517 0.0698 60 LEU A CA 456 C C . LEU A 60 ? 0.6172 0.6521 0.4230 0.0593 -0.0478 0.0618 60 LEU A C 457 O O . LEU A 60 ? 0.5719 0.6033 0.3753 0.0619 -0.0393 0.0626 60 LEU A O 458 C CB . LEU A 60 ? 0.5748 0.6209 0.4009 0.0610 -0.0468 0.0754 60 LEU A CB 459 C CG . LEU A 60 ? 0.6151 0.6617 0.4548 0.0560 -0.0489 0.0717 60 LEU A CG 460 C CD1 . LEU A 60 ? 0.6154 0.6712 0.4678 0.0569 -0.0503 0.0782 60 LEU A CD1 461 C CD2 . LEU A 60 ? 0.6152 0.6538 0.4600 0.0551 -0.0412 0.0687 60 LEU A CD2 462 N N . ASP A 61 ? 0.6056 0.6367 0.4100 0.0553 -0.0540 0.0546 61 ASP A N 463 C CA . ASP A 61 ? 0.6187 0.6408 0.4190 0.0553 -0.0510 0.0471 61 ASP A CA 464 C C . ASP A 61 ? 0.6299 0.6510 0.4459 0.0535 -0.0452 0.0476 61 ASP A C 465 O O . ASP A 61 ? 0.6143 0.6366 0.4410 0.0492 -0.0490 0.0477 61 ASP A O 466 C CB . ASP A 61 ? 0.6646 0.6798 0.4561 0.0518 -0.0601 0.0393 61 ASP A CB 467 C CG . ASP A 61 ? 0.8357 0.8403 0.6180 0.0546 -0.0568 0.0315 61 ASP A CG 468 O OD1 . ASP A 61 ? 0.9064 0.9084 0.6730 0.0597 -0.0549 0.0289 61 ASP A OD1 469 O OD2 . ASP A 61 ? 0.8092 0.8091 0.5999 0.0527 -0.0554 0.0286 61 ASP A OD2 470 N N . ALA A 62 ? 0.5607 0.5806 0.3775 0.0563 -0.0362 0.0482 62 ALA A N 471 C CA . ALA A 62 ? 0.5336 0.5526 0.3633 0.0545 -0.0305 0.0484 62 ALA A CA 472 C C . ALA A 62 ? 0.5701 0.5849 0.3960 0.0559 -0.0278 0.0417 62 ALA A C 473 O O . ALA A 62 ? 0.5547 0.5715 0.3849 0.0568 -0.0204 0.0427 62 ALA A O 474 C CB . ALA A 62 ? 0.5320 0.5539 0.3663 0.0556 -0.0227 0.0555 62 ALA A CB 475 N N . THR A 63 ? 0.5283 0.5369 0.3457 0.0562 -0.0340 0.0351 63 THR A N 476 C CA . THR A 63 ? 0.5444 0.5478 0.3561 0.0596 -0.0316 0.0287 63 THR A CA 477 C C . THR A 63 ? 0.5838 0.5810 0.4029 0.0568 -0.0346 0.0247 63 THR A C 478 O O . THR A 63 ? 0.5828 0.5755 0.3980 0.0605 -0.0327 0.0198 63 THR A O 479 C CB . THR A 63 ? 0.6309 0.6281 0.4231 0.0641 -0.0353 0.0231 63 THR A CB 480 O OG1 . THR A 63 ? 0.6391 0.6280 0.4266 0.0598 -0.0453 0.0195 63 THR A OG1 481 C CG2 . THR A 63 ? 0.5952 0.5984 0.3772 0.0676 -0.0323 0.0269 63 THR A CG2 482 N N . THR A 64 ? 0.5481 0.5453 0.3768 0.0509 -0.0394 0.0269 64 THR A N 483 C CA . THR A 64 ? 0.5417 0.5329 0.3771 0.0474 -0.0425 0.0239 64 THR A CA 484 C C . THR A 64 ? 0.5447 0.5424 0.3964 0.0428 -0.0411 0.0293 64 THR A C 485 O O . THR A 64 ? 0.5318 0.5365 0.3882 0.0415 -0.0409 0.0346 64 THR A O 486 C CB . THR A 64 ? 0.6942 0.6756 0.5206 0.0437 -0.0525 0.0196 64 THR A CB 487 O OG1 . THR A 64 ? 0.7645 0.7526 0.5941 0.0391 -0.0574 0.0241 64 THR A OG1 488 C CG2 . THR A 64 ? 0.7063 0.6773 0.5132 0.0486 -0.0548 0.0130 64 THR A CG2 489 N N . PHE A 65 ? 0.5091 0.5039 0.3683 0.0409 -0.0404 0.0279 65 PHE A N 490 C CA . PHE A 65 ? 0.4721 0.4721 0.3454 0.0367 -0.0392 0.0322 65 PHE A CA 491 C C . PHE A 65 ? 0.5385 0.5405 0.4145 0.0317 -0.0462 0.0344 65 PHE A C 492 O O . PHE A 65 ? 0.5572 0.5530 0.4257 0.0292 -0.0532 0.0311 65 PHE A O 493 C CB . PHE A 65 ? 0.4730 0.4691 0.3520 0.0355 -0.0379 0.0299 65 PHE A CB 494 C CG . PHE A 65 ? 0.4817 0.4805 0.3624 0.0393 -0.0306 0.0294 65 PHE A CG 495 C CD1 . PHE A 65 ? 0.4738 0.4797 0.3614 0.0389 -0.0245 0.0338 65 PHE A CD1 496 C CD2 . PHE A 65 ? 0.5112 0.5056 0.3868 0.0431 -0.0300 0.0248 65 PHE A CD2 497 C CE1 . PHE A 65 ? 0.4816 0.4913 0.3714 0.0405 -0.0184 0.0337 65 PHE A CE1 498 C CE2 . PHE A 65 ? 0.5358 0.5364 0.4148 0.0461 -0.0235 0.0250 65 PHE A CE2 499 C CZ . PHE A 65 ? 0.4943 0.5030 0.3806 0.0439 -0.0180 0.0295 65 PHE A CZ 500 N N . GLN A 66 ? 0.4871 0.4974 0.3732 0.0304 -0.0442 0.0400 66 GLN A N 501 C CA . GLN A 66 ? 0.4767 0.4934 0.3683 0.0261 -0.0499 0.0434 66 GLN A CA 502 C C . GLN A 66 ? 0.4902 0.5068 0.3911 0.0211 -0.0513 0.0437 66 GLN A C 503 O O . GLN A 66 ? 0.4645 0.4746 0.3662 0.0214 -0.0483 0.0408 66 GLN A O 504 C CB . GLN A 66 ? 0.4808 0.5075 0.3777 0.0290 -0.0468 0.0499 66 GLN A CB 505 C CG . GLN A 66 ? 0.5048 0.5351 0.3933 0.0308 -0.0508 0.0512 66 GLN A CG 506 C CD . GLN A 66 ? 0.7140 0.7505 0.6038 0.0255 -0.0600 0.0523 66 GLN A CD 507 O OE1 . GLN A 66 ? 0.6109 0.6489 0.5079 0.0199 -0.0634 0.0521 66 GLN A OE1 508 N NE2 . GLN A 66 ? 0.5883 0.6296 0.4712 0.0266 -0.0644 0.0539 66 GLN A NE2 509 N N . ASN A 67 ? 0.4490 0.4739 0.3567 0.0166 -0.0560 0.0475 67 ASN A N 510 C CA . ASN A 67 ? 0.4274 0.4543 0.3437 0.0110 -0.0577 0.0489 67 ASN A CA 511 C C . ASN A 67 ? 0.4728 0.5012 0.3974 0.0135 -0.0501 0.0506 67 ASN A C 512 O O . ASN A 67 ? 0.4434 0.4750 0.3701 0.0187 -0.0439 0.0527 67 ASN A O 513 C CB . ASN A 67 ? 0.4268 0.4673 0.3506 0.0064 -0.0629 0.0542 67 ASN A CB 514 C CG . ASN A 67 ? 0.5837 0.6230 0.4992 0.0014 -0.0721 0.0525 67 ASN A CG 515 O OD1 . ASN A 67 ? 0.5394 0.5645 0.4435 -0.0006 -0.0760 0.0466 67 ASN A OD1 516 N ND2 . ASN A 67 ? 0.5280 0.5818 0.4482 0.0001 -0.0759 0.0575 67 ASN A ND2 517 N N . VAL A 68 ? 0.4363 0.4611 0.3643 0.0094 -0.0509 0.0496 68 VAL A N 518 C CA . VAL A 68 ? 0.4217 0.4475 0.3566 0.0106 -0.0449 0.0508 68 VAL A CA 519 C C . VAL A 68 ? 0.4522 0.4912 0.3975 0.0087 -0.0445 0.0568 68 VAL A C 520 O O . VAL A 68 ? 0.4367 0.4822 0.3846 0.0034 -0.0505 0.0592 68 VAL A O 521 C CB . VAL A 68 ? 0.4696 0.4848 0.4013 0.0079 -0.0463 0.0470 68 VAL A CB 522 C CG1 . VAL A 68 ? 0.4668 0.4843 0.4055 0.0078 -0.0413 0.0487 68 VAL A CG1 523 C CG2 . VAL A 68 ? 0.4620 0.4670 0.3843 0.0121 -0.0453 0.0416 68 VAL A CG2 524 N N . CYS A 69 ? 0.4068 0.4499 0.3572 0.0129 -0.0376 0.0592 69 CYS A N 525 C CA . CYS A 69 ? 0.4086 0.4645 0.3683 0.0132 -0.0358 0.0649 69 CYS A CA 526 C C . CYS A 69 ? 0.4689 0.5273 0.4332 0.0065 -0.0386 0.0658 69 CYS A C 527 O O . CYS A 69 ? 0.4464 0.4946 0.4073 0.0043 -0.0383 0.0623 69 CYS A O 528 C CB . CYS A 69 ? 0.4076 0.4630 0.3685 0.0198 -0.0275 0.0661 69 CYS A CB 529 S SG . CYS A 69 ? 0.4516 0.5045 0.4072 0.0272 -0.0242 0.0671 69 CYS A SG 530 N N . TYR A 70 ? 0.4402 0.5130 0.4121 0.0031 -0.0417 0.0711 70 TYR A N 531 C CA . TYR A 70 ? 0.4447 0.5220 0.4216 -0.0047 -0.0447 0.0735 70 TYR A CA 532 C C . TYR A 70 ? 0.4742 0.5476 0.4524 -0.0034 -0.0388 0.0731 70 TYR A C 533 O O . TYR A 70 ? 0.4629 0.5402 0.4435 0.0031 -0.0319 0.0744 70 TYR A O 534 C CB . TYR A 70 ? 0.4807 0.5788 0.4677 -0.0080 -0.0477 0.0806 70 TYR A CB 535 C CG . TYR A 70 ? 0.5377 0.6366 0.5258 -0.0197 -0.0553 0.0819 70 TYR A CG 536 C CD1 . TYR A 70 ? 0.5628 0.6618 0.5541 -0.0248 -0.0540 0.0839 70 TYR A CD1 537 C CD2 . TYR A 70 ? 0.5748 0.6716 0.5585 -0.0263 -0.0641 0.0808 70 TYR A CD2 538 C CE1 . TYR A 70 ? 0.5854 0.6814 0.5758 -0.0363 -0.0611 0.0852 70 TYR A CE1 539 C CE2 . TYR A 70 ? 0.5979 0.6913 0.5803 -0.0382 -0.0716 0.0816 70 TYR A CE2 540 C CZ . TYR A 70 ? 0.7122 0.8044 0.6979 -0.0433 -0.0700 0.0839 70 TYR A CZ 541 O OH . TYR A 70 ? 0.8169 0.9040 0.8003 -0.0558 -0.0776 0.0852 70 TYR A OH 542 N N . GLN A 71 ? 0.4291 0.4917 0.4032 -0.0090 -0.0417 0.0706 71 GLN A N 543 C CA . GLN A 71 ? 0.4199 0.4770 0.3933 -0.0082 -0.0372 0.0696 71 GLN A CA 544 C C . GLN A 71 ? 0.4922 0.5422 0.4634 -0.0160 -0.0418 0.0699 71 GLN A C 545 O O . GLN A 71 ? 0.4790 0.5224 0.4463 -0.0217 -0.0488 0.0689 71 GLN A O 546 C CB . GLN A 71 ? 0.4336 0.4779 0.3998 -0.0022 -0.0334 0.0638 71 GLN A CB 547 C CG . GLN A 71 ? 0.3767 0.4075 0.3345 -0.0032 -0.0382 0.0586 71 GLN A CG 548 C CD . GLN A 71 ? 0.4865 0.5108 0.4395 0.0030 -0.0341 0.0543 71 GLN A CD 549 O OE1 . GLN A 71 ? 0.3829 0.3992 0.3321 0.0039 -0.0331 0.0510 71 GLN A OE1 550 N NE2 . GLN A 71 ? 0.3557 0.3842 0.3091 0.0072 -0.0316 0.0548 71 GLN A NE2 551 N N . TYR A 72 ? 0.5027 0.5519 0.4747 -0.0158 -0.0378 0.0709 72 TYR A N 552 C CA . TYR A 72 ? 0.5302 0.5708 0.4988 -0.0216 -0.0408 0.0714 72 TYR A CA 553 C C . TYR A 72 ? 0.5884 0.6108 0.5472 -0.0196 -0.0437 0.0651 72 TYR A C 554 O O . TYR A 72 ? 0.5819 0.6009 0.5380 -0.0128 -0.0402 0.0609 72 TYR A O 555 C CB . TYR A 72 ? 0.5653 0.6103 0.5360 -0.0198 -0.0348 0.0736 72 TYR A CB 556 C CG . TYR A 72 ? 0.6454 0.6801 0.6111 -0.0243 -0.0372 0.0741 72 TYR A CG 557 C CD1 . TYR A 72 ? 0.6942 0.7314 0.6619 -0.0330 -0.0410 0.0796 72 TYR A CD1 558 C CD2 . TYR A 72 ? 0.6682 0.6911 0.6272 -0.0202 -0.0360 0.0696 72 TYR A CD2 559 C CE1 . TYR A 72 ? 0.7473 0.7730 0.7091 -0.0370 -0.0434 0.0806 72 TYR A CE1 560 C CE2 . TYR A 72 ? 0.7027 0.7157 0.6564 -0.0232 -0.0386 0.0705 72 TYR A CE2 561 C CZ . TYR A 72 ? 0.8771 0.8904 0.8317 -0.0314 -0.0421 0.0760 72 TYR A CZ 562 O OH . TYR A 72 ? 0.9402 0.9420 0.8884 -0.0341 -0.0446 0.0775 72 TYR A OH 563 N N . VAL A 73 ? 0.5548 0.5656 0.5079 -0.0254 -0.0502 0.0648 73 VAL A N 564 C CA . VAL A 73 ? 0.5662 0.5588 0.5089 -0.0228 -0.0534 0.0594 73 VAL A CA 565 C C . VAL A 73 ? 0.6668 0.6501 0.6056 -0.0242 -0.0537 0.0606 73 VAL A C 566 O O . VAL A 73 ? 0.6545 0.6373 0.5941 -0.0318 -0.0564 0.0653 73 VAL A O 567 C CB . VAL A 73 ? 0.6106 0.5932 0.5464 -0.0270 -0.0608 0.0573 73 VAL A CB 568 C CG1 . VAL A 73 ? 0.6227 0.5850 0.5462 -0.0232 -0.0638 0.0518 73 VAL A CG1 569 C CG2 . VAL A 73 ? 0.5968 0.5887 0.5353 -0.0246 -0.0605 0.0561 73 VAL A CG2 570 N N . ASP A 74 ? 0.6670 0.6434 0.6013 -0.0175 -0.0513 0.0568 74 ASP A N 571 C CA . ASP A 74 ? 0.6815 0.6494 0.6114 -0.0174 -0.0518 0.0581 74 ASP A CA 572 C C . ASP A 74 ? 0.7832 0.7318 0.7028 -0.0196 -0.0586 0.0569 74 ASP A C 573 O O . ASP A 74 ? 0.7837 0.7225 0.6964 -0.0141 -0.0603 0.0518 74 ASP A O 574 C CB . ASP A 74 ? 0.6994 0.6691 0.6287 -0.0092 -0.0474 0.0545 74 ASP A CB 575 C CG . ASP A 74 ? 0.7995 0.7664 0.7265 -0.0084 -0.0467 0.0565 74 ASP A CG 576 O OD1 . ASP A 74 ? 0.7534 0.7070 0.6735 -0.0098 -0.0512 0.0579 74 ASP A OD1 577 O OD2 . ASP A 74 ? 0.9332 0.9095 0.8638 -0.0059 -0.0420 0.0565 74 ASP A OD2 578 N N . THR A 75 ? 0.7931 0.7350 0.7103 -0.0274 -0.0622 0.0619 75 THR A N 579 C CA . THR A 75 ? 0.8261 0.7455 0.7312 -0.0306 -0.0691 0.0613 75 THR A CA 580 C C . THR A 75 ? 0.9237 0.8318 0.8228 -0.0298 -0.0697 0.0642 75 THR A C 581 O O . THR A 75 ? 0.9591 0.8460 0.8468 -0.0321 -0.0752 0.0646 75 THR A O 582 C CB . THR A 75 ? 0.8921 0.8098 0.7974 -0.0424 -0.0746 0.0645 75 THR A CB 583 O OG1 . THR A 75 ? 0.8686 0.8032 0.7844 -0.0498 -0.0721 0.0717 75 THR A OG1 584 C CG2 . THR A 75 ? 0.8792 0.8023 0.7860 -0.0421 -0.0762 0.0606 75 THR A CG2 585 N N . LEU A 76 ? 0.8659 0.7868 0.7712 -0.0263 -0.0642 0.0663 76 LEU A N 586 C CA . LEU A 76 ? 0.8739 0.7890 0.7750 -0.0245 -0.0638 0.0695 76 LEU A CA 587 C C . LEU A 76 ? 0.9380 0.8316 0.8263 -0.0172 -0.0677 0.0664 76 LEU A C 588 O O . LEU A 76 ? 0.9654 0.8428 0.8451 -0.0198 -0.0715 0.0701 76 LEU A O 589 C CB . LEU A 76 ? 0.8656 0.7989 0.7745 -0.0193 -0.0572 0.0693 76 LEU A CB 590 C CG . LEU A 76 ? 0.9530 0.8859 0.8589 -0.0167 -0.0558 0.0723 76 LEU A CG 591 C CD1 . LEU A 76 ? 0.9725 0.9011 0.8760 -0.0253 -0.0575 0.0799 76 LEU A CD1 592 C CD2 . LEU A 76 ? 0.9862 0.9373 0.8993 -0.0130 -0.0497 0.0710 76 LEU A CD2 593 N N . TYR A 77 ? 0.8607 0.7541 0.7476 -0.0077 -0.0667 0.0600 77 TYR A N 594 C CA . TYR A 77 ? 0.8520 0.7292 0.7281 0.0019 -0.0691 0.0567 77 TYR A CA 595 C C . TYR A 77 ? 0.9117 0.7751 0.7795 0.0047 -0.0724 0.0509 77 TYR A C 596 O O . TYR A 77 ? 0.8743 0.7448 0.7438 0.0128 -0.0698 0.0458 77 TYR A O 597 C CB . TYR A 77 ? 0.8376 0.7288 0.7187 0.0119 -0.0646 0.0546 77 TYR A CB 598 C CG . TYR A 77 ? 0.8367 0.7405 0.7236 0.0103 -0.0617 0.0592 77 TYR A CG 599 C CD1 . TYR A 77 ? 0.8776 0.7708 0.7577 0.0101 -0.0642 0.0641 77 TYR A CD1 600 C CD2 . TYR A 77 ? 0.8268 0.7516 0.7241 0.0103 -0.0565 0.0583 77 TYR A CD2 601 C CE1 . TYR A 77 ? 0.8669 0.7717 0.7508 0.0095 -0.0617 0.0680 77 TYR A CE1 602 C CE2 . TYR A 77 ? 0.8374 0.7725 0.7379 0.0094 -0.0540 0.0616 77 TYR A CE2 603 C CZ . TYR A 77 ? 0.9938 0.9197 0.8877 0.0091 -0.0567 0.0664 77 TYR A CZ 604 O OH . TYR A 77 ? 1.0633 0.9994 0.9590 0.0085 -0.0545 0.0696 77 TYR A OH 605 N N . PRO A 78 ? 0.9043 0.7472 0.7619 -0.0023 -0.0784 0.0518 78 PRO A N 606 C CA . PRO A 78 ? 0.9185 0.7464 0.7659 -0.0001 -0.0821 0.0458 78 PRO A CA 607 C C . PRO A 78 ? 0.9568 0.7753 0.7950 0.0148 -0.0811 0.0402 78 PRO A C 608 O O . PRO A 78 ? 0.9632 0.7679 0.7930 0.0214 -0.0823 0.0414 78 PRO A O 609 C CB . PRO A 78 ? 0.9669 0.7711 0.8028 -0.0106 -0.0892 0.0485 78 PRO A CB 610 C CG . PRO A 78 ? 1.0145 0.8324 0.8613 -0.0218 -0.0881 0.0563 78 PRO A CG 611 C CD . PRO A 78 ? 0.9384 0.7712 0.7930 -0.0137 -0.0822 0.0583 78 PRO A CD 612 N N . GLY A 79 ? 0.8697 0.6969 0.7098 0.0204 -0.0787 0.0347 79 GLY A N 613 C CA . GLY A 79 ? 0.8528 0.6754 0.6854 0.0349 -0.0768 0.0294 79 GLY A CA 614 C C . GLY A 79 ? 0.8089 0.6536 0.6527 0.0437 -0.0706 0.0301 79 GLY A C 615 O O . GLY A 79 ? 0.8114 0.6574 0.6513 0.0559 -0.0684 0.0264 79 GLY A O 616 N N . PHE A 80 ? 0.6784 0.5413 0.5356 0.0376 -0.0678 0.0350 80 PHE A N 617 C CA . PHE A 80 ? 0.6249 0.5081 0.4918 0.0441 -0.0628 0.0358 80 PHE A CA 618 C C . PHE A 80 ? 0.6254 0.5290 0.5024 0.0445 -0.0580 0.0331 80 PHE A C 619 O O . PHE A 80 ? 0.5968 0.5100 0.4816 0.0360 -0.0565 0.0344 80 PHE A O 620 C CB . PHE A 80 ? 0.6177 0.5082 0.4911 0.0386 -0.0623 0.0417 80 PHE A CB 621 C CG . PHE A 80 ? 0.6038 0.5143 0.4860 0.0439 -0.0583 0.0426 80 PHE A CG 622 C CD1 . PHE A 80 ? 0.6348 0.5459 0.5133 0.0556 -0.0582 0.0415 80 PHE A CD1 623 C CD2 . PHE A 80 ? 0.5776 0.5061 0.4707 0.0372 -0.0548 0.0446 80 PHE A CD2 624 C CE1 . PHE A 80 ? 0.6305 0.5619 0.5176 0.0593 -0.0552 0.0427 80 PHE A CE1 625 C CE2 . PHE A 80 ? 0.5956 0.5410 0.4953 0.0407 -0.0519 0.0452 80 PHE A CE2 626 C CZ . PHE A 80 ? 0.5885 0.5363 0.4858 0.0510 -0.0524 0.0444 80 PHE A CZ 627 N N . GLU A 81 ? 0.5957 0.5064 0.4722 0.0549 -0.0552 0.0299 81 GLU A N 628 C CA . GLU A 81 ? 0.5909 0.5204 0.4756 0.0563 -0.0503 0.0276 81 GLU A CA 629 C C . GLU A 81 ? 0.6053 0.5539 0.5032 0.0493 -0.0467 0.0306 81 GLU A C 630 O O . GLU A 81 ? 0.5817 0.5391 0.4851 0.0447 -0.0441 0.0299 81 GLU A O 631 C CB . GLU A 81 ? 0.6234 0.5596 0.5061 0.0689 -0.0478 0.0251 81 GLU A CB 632 C CG . GLU A 81 ? 0.8359 0.7898 0.7251 0.0706 -0.0428 0.0230 81 GLU A CG 633 C CD . GLU A 81 ? 1.3231 1.2687 1.2049 0.0712 -0.0430 0.0191 81 GLU A CD 634 O OE1 . GLU A 81 ? 1.4509 1.3808 1.3200 0.0790 -0.0452 0.0158 81 GLU A OE1 635 O OE2 . GLU A 81 ? 1.2770 1.2309 1.1645 0.0645 -0.0409 0.0192 81 GLU A OE2 636 N N . GLY A 82 ? 0.5587 0.5114 0.4597 0.0487 -0.0471 0.0339 82 GLY A N 637 C CA . GLY A 82 ? 0.5351 0.5033 0.4458 0.0426 -0.0441 0.0363 82 GLY A CA 638 C C . GLY A 82 ? 0.5557 0.5254 0.4707 0.0332 -0.0428 0.0374 82 GLY A C 639 O O . GLY A 82 ? 0.5384 0.5207 0.4603 0.0301 -0.0390 0.0372 82 GLY A O 640 N N . THR A 83 ? 0.5211 0.4778 0.4316 0.0287 -0.0461 0.0387 83 THR A N 641 C CA . THR A 83 ? 0.5178 0.4772 0.4327 0.0205 -0.0453 0.0403 83 THR A CA 642 C C . THR A 83 ? 0.5727 0.5289 0.4856 0.0204 -0.0460 0.0375 83 THR A C 643 O O . THR A 83 ? 0.5477 0.5127 0.4662 0.0172 -0.0433 0.0377 83 THR A O 644 C CB . THR A 83 ? 0.5740 0.5244 0.4864 0.0142 -0.0486 0.0446 83 THR A CB 645 O OG1 . THR A 83 ? 0.5774 0.5098 0.4797 0.0162 -0.0537 0.0439 83 THR A OG1 646 C CG2 . THR A 83 ? 0.5295 0.4856 0.4443 0.0128 -0.0471 0.0481 83 THR A CG2 647 N N . GLU A 84 ? 0.5548 0.4973 0.4585 0.0244 -0.0497 0.0349 84 GLU A N 648 C CA . GLU A 84 ? 0.5641 0.5011 0.4633 0.0238 -0.0516 0.0321 84 GLU A CA 649 C C . GLU A 84 ? 0.6026 0.5511 0.5050 0.0281 -0.0473 0.0293 84 GLU A C 650 O O . GLU A 84 ? 0.6034 0.5525 0.5052 0.0256 -0.0478 0.0284 84 GLU A O 651 C CB . GLU A 84 ? 0.6035 0.5199 0.4892 0.0269 -0.0569 0.0295 84 GLU A CB 652 C CG . GLU A 84 ? 0.7533 0.6581 0.6359 0.0173 -0.0622 0.0326 84 GLU A CG 653 C CD . GLU A 84 ? 1.1153 0.9957 0.9837 0.0179 -0.0682 0.0316 84 GLU A CD 654 O OE1 . GLU A 84 ? 1.1149 0.9837 0.9727 0.0268 -0.0691 0.0269 84 GLU A OE1 655 O OE2 . GLU A 84 ? 1.1517 1.0239 1.0188 0.0092 -0.0720 0.0356 84 GLU A OE2 656 N N . MET A 85 ? 0.5351 0.4939 0.4413 0.0337 -0.0431 0.0285 85 MET A N 657 C CA A MET A 85 ? 0.5198 0.4903 0.4294 0.0366 -0.0387 0.0268 85 MET A CA 658 C CA B MET A 85 ? 0.5283 0.4986 0.4377 0.0366 -0.0387 0.0268 85 MET A CA 659 C C . MET A 85 ? 0.5497 0.5295 0.4669 0.0301 -0.0357 0.0290 85 MET A C 660 O O . MET A 85 ? 0.5330 0.5188 0.4511 0.0310 -0.0328 0.0281 85 MET A O 661 C CB A MET A 85 ? 0.5388 0.5199 0.4515 0.0426 -0.0353 0.0263 85 MET A CB 662 C CB B MET A 85 ? 0.5545 0.5354 0.4668 0.0429 -0.0353 0.0260 85 MET A CB 663 C CG A MET A 85 ? 0.5643 0.5547 0.4847 0.0388 -0.0336 0.0292 85 MET A CG 664 C CG B MET A 85 ? 0.5903 0.5815 0.5106 0.0395 -0.0333 0.0288 85 MET A CG 665 S SD A MET A 85 ? 0.5952 0.6046 0.5225 0.0415 -0.0288 0.0290 85 MET A SD 666 S SD B MET A 85 ? 0.6321 0.6418 0.5582 0.0439 -0.0288 0.0283 85 MET A SD 667 C CE A MET A 85 ? 0.5405 0.5548 0.4699 0.0380 -0.0249 0.0284 85 MET A CE 668 C CE B MET A 85 ? 0.6040 0.6090 0.5223 0.0559 -0.0304 0.0259 85 MET A CE 669 N N . TRP A 86 ? 0.4734 0.4540 0.3951 0.0242 -0.0362 0.0321 86 TRP A N 670 C CA . TRP A 86 ? 0.4613 0.4495 0.3892 0.0195 -0.0332 0.0344 86 TRP A CA 671 C C . TRP A 86 ? 0.4882 0.4731 0.4158 0.0152 -0.0362 0.0361 86 TRP A C 672 O O . TRP A 86 ? 0.4619 0.4536 0.3942 0.0131 -0.0337 0.0381 86 TRP A O 673 C CB . TRP A 86 ? 0.4395 0.4327 0.3722 0.0166 -0.0310 0.0368 86 TRP A CB 674 C CG . TRP A 86 ? 0.4434 0.4412 0.3767 0.0196 -0.0293 0.0355 86 TRP A CG 675 C CD1 . TRP A 86 ? 0.4825 0.4778 0.4139 0.0215 -0.0316 0.0359 86 TRP A CD1 676 C CD2 . TRP A 86 ? 0.4283 0.4347 0.3640 0.0210 -0.0254 0.0341 86 TRP A CD2 677 N NE1 . TRP A 86 ? 0.4675 0.4714 0.4009 0.0241 -0.0295 0.0348 86 TRP A NE1 678 C CE2 . TRP A 86 ? 0.4666 0.4776 0.4030 0.0232 -0.0257 0.0337 86 TRP A CE2 679 C CE3 . TRP A 86 ? 0.4353 0.4459 0.3725 0.0201 -0.0218 0.0337 86 TRP A CE3 680 C CZ2 . TRP A 86 ? 0.4498 0.4712 0.3891 0.0234 -0.0227 0.0329 86 TRP A CZ2 681 C CZ3 . TRP A 86 ? 0.4537 0.4722 0.3929 0.0201 -0.0186 0.0329 86 TRP A CZ3 682 C CH2 . TRP A 86 ? 0.4633 0.4881 0.4041 0.0212 -0.0192 0.0325 86 TRP A CH2 683 N N . ASN A 87 ? 0.4712 0.4457 0.3931 0.0140 -0.0416 0.0357 87 ASN A N 684 C CA . ASN A 87 ? 0.4869 0.4589 0.4083 0.0084 -0.0457 0.0376 87 ASN A CA 685 C C . ASN A 87 ? 0.5421 0.5158 0.4610 0.0097 -0.0463 0.0358 87 ASN A C 686 O O . ASN A 87 ? 0.5136 0.4853 0.4277 0.0154 -0.0448 0.0322 87 ASN A O 687 C CB . ASN A 87 ? 0.4700 0.4277 0.3841 0.0053 -0.0519 0.0375 87 ASN A CB 688 C CG . ASN A 87 ? 0.6436 0.6016 0.5615 0.0005 -0.0521 0.0417 87 ASN A CG 689 O OD1 . ASN A 87 ? 0.5880 0.5579 0.5142 -0.0015 -0.0482 0.0450 87 ASN A OD1 690 N ND2 . ASN A 87 ? 0.5541 0.4980 0.4648 -0.0010 -0.0567 0.0419 87 ASN A ND2 691 N N . PRO A 88 ? 0.5254 0.5042 0.4477 0.0047 -0.0484 0.0386 88 PRO A N 692 C CA . PRO A 88 ? 0.5085 0.4896 0.4278 0.0061 -0.0496 0.0374 88 PRO A CA 693 C C . PRO A 88 ? 0.5580 0.5260 0.4652 0.0086 -0.0539 0.0324 88 PRO A C 694 O O . PRO A 88 ? 0.5487 0.5042 0.4494 0.0061 -0.0587 0.0310 88 PRO A O 695 C CB . PRO A 88 ? 0.5194 0.5076 0.4440 -0.0007 -0.0532 0.0417 88 PRO A CB 696 C CG . PRO A 88 ? 0.5676 0.5627 0.5009 -0.0034 -0.0502 0.0459 88 PRO A CG 697 C CD . PRO A 88 ? 0.5260 0.5109 0.4552 -0.0020 -0.0498 0.0436 88 PRO A CD 698 N N . ASN A 89 ? 0.5102 0.4799 0.4130 0.0139 -0.0518 0.0298 89 ASN A N 699 C CA . ASN A 89 ? 0.5198 0.4776 0.4095 0.0178 -0.0549 0.0246 89 ASN A CA 700 C C . ASN A 89 ? 0.5449 0.5036 0.4292 0.0161 -0.0586 0.0241 89 ASN A C 701 O O . ASN A 89 ? 0.5450 0.4955 0.4175 0.0200 -0.0605 0.0197 89 ASN A O 702 C CB . ASN A 89 ? 0.5311 0.4902 0.4184 0.0264 -0.0493 0.0218 89 ASN A CB 703 C CG . ASN A 89 ? 0.6249 0.5969 0.5173 0.0290 -0.0433 0.0234 89 ASN A CG 704 O OD1 . ASN A 89 ? 0.5152 0.4958 0.4152 0.0254 -0.0419 0.0273 89 ASN A OD1 705 N ND2 . ASN A 89 ? 0.5382 0.5117 0.4261 0.0357 -0.0395 0.0209 89 ASN A ND2 706 N N . ARG A 90 ? 0.4840 0.4534 0.3765 0.0107 -0.0597 0.0287 90 ARG A N 707 C CA . ARG A 90 ? 0.4837 0.4567 0.3728 0.0079 -0.0644 0.0295 90 ARG A CA 708 C C . ARG A 90 ? 0.5194 0.4995 0.4172 -0.0008 -0.0687 0.0344 90 ARG A C 709 O O . ARG A 90 ? 0.4941 0.4770 0.4003 -0.0033 -0.0666 0.0373 90 ARG A O 710 C CB . ARG A 90 ? 0.4884 0.4726 0.3799 0.0131 -0.0593 0.0314 90 ARG A CB 711 C CG . ARG A 90 ? 0.5735 0.5532 0.4563 0.0209 -0.0549 0.0272 90 ARG A CG 712 C CD . ARG A 90 ? 0.5991 0.5670 0.4659 0.0224 -0.0603 0.0218 90 ARG A CD 713 N NE . ARG A 90 ? 0.8161 0.7820 0.6748 0.0307 -0.0553 0.0183 90 ARG A NE 714 C CZ . ARG A 90 ? 0.9979 0.9574 0.8529 0.0360 -0.0522 0.0148 90 ARG A CZ 715 N NH1 . ARG A 90 ? 0.7275 0.6798 0.5850 0.0342 -0.0540 0.0139 90 ARG A NH1 716 N NH2 . ARG A 90 ? 0.8881 0.8496 0.7368 0.0436 -0.0473 0.0125 90 ARG A NH2 717 N N . GLU A 91 ? 0.4980 0.4823 0.3938 -0.0054 -0.0747 0.0357 91 GLU A N 718 C CA . GLU A 91 ? 0.4947 0.4893 0.3992 -0.0144 -0.0795 0.0410 91 GLU A CA 719 C C . GLU A 91 ? 0.5382 0.5508 0.4584 -0.0128 -0.0733 0.0475 91 GLU A C 720 O O . GLU A 91 ? 0.5126 0.5334 0.4362 -0.0060 -0.0677 0.0490 91 GLU A O 721 C CB . GLU A 91 ? 0.5106 0.5106 0.4106 -0.0179 -0.0864 0.0416 91 GLU A CB 722 C CG . GLU A 91 ? 0.5884 0.6004 0.4971 -0.0285 -0.0927 0.0472 91 GLU A CG 723 C CD . GLU A 91 ? 0.6786 0.6979 0.5832 -0.0327 -0.1004 0.0480 91 GLU A CD 724 O OE1 . GLU A 91 ? 0.6039 0.6105 0.4937 -0.0303 -0.1034 0.0422 91 GLU A OE1 725 O OE2 . GLU A 91 ? 0.6202 0.6596 0.5366 -0.0376 -0.1029 0.0547 91 GLU A OE2 726 N N . LEU A 92 ? 0.5031 0.5212 0.4317 -0.0192 -0.0744 0.0516 92 LEU A N 727 C CA . LEU A 92 ? 0.4926 0.5280 0.4350 -0.0173 -0.0686 0.0577 92 LEU A CA 728 C C . LEU A 92 ? 0.5384 0.5915 0.4872 -0.0187 -0.0715 0.0627 92 LEU A C 729 O O . LEU A 92 ? 0.5494 0.6055 0.4970 -0.0268 -0.0796 0.0639 92 LEU A O 730 C CB . LEU A 92 ? 0.4956 0.5331 0.4447 -0.0236 -0.0686 0.0610 92 LEU A CB 731 C CG . LEU A 92 ? 0.5605 0.5841 0.5057 -0.0218 -0.0651 0.0578 92 LEU A CG 732 C CD1 . LEU A 92 ? 0.5686 0.5981 0.5214 -0.0279 -0.0647 0.0627 92 LEU A CD1 733 C CD2 . LEU A 92 ? 0.5694 0.5931 0.5154 -0.0123 -0.0569 0.0558 92 LEU A CD2 734 N N . SER A 93 ? 0.4773 0.5418 0.4322 -0.0109 -0.0653 0.0659 93 SER A N 735 C CA . SER A 93 ? 0.4570 0.5401 0.4188 -0.0101 -0.0672 0.0716 93 SER A CA 736 C C . SER A 93 ? 0.4884 0.5819 0.4582 -0.0011 -0.0585 0.0759 93 SER A C 737 O O . SER A 93 ? 0.4777 0.5607 0.4437 0.0052 -0.0517 0.0729 93 SER A O 738 C CB . SER A 93 ? 0.4625 0.5423 0.4148 -0.0083 -0.0718 0.0691 93 SER A CB 739 O OG . SER A 93 ? 0.4718 0.5706 0.4307 -0.0063 -0.0736 0.0752 93 SER A OG 740 N N . GLU A 94 ? 0.4420 0.5561 0.4221 -0.0002 -0.0590 0.0829 94 GLU A N 741 C CA . GLU A 94 ? 0.4363 0.5598 0.4222 0.0101 -0.0511 0.0873 94 GLU A CA 742 C C . GLU A 94 ? 0.4980 0.6168 0.4765 0.0179 -0.0500 0.0865 94 GLU A C 743 O O . GLU A 94 ? 0.5017 0.6181 0.4795 0.0271 -0.0427 0.0880 94 GLU A O 744 C CB . GLU A 94 ? 0.4426 0.5911 0.4417 0.0097 -0.0520 0.0954 94 GLU A CB 745 C CG . GLU A 94 ? 0.4488 0.6025 0.4555 0.0055 -0.0491 0.0973 94 GLU A CG 746 C CD . GLU A 94 ? 0.6050 0.7865 0.6255 0.0066 -0.0486 0.1060 94 GLU A CD 747 O OE1 . GLU A 94 ? 0.3907 0.5799 0.4150 0.0178 -0.0411 0.1095 94 GLU A OE1 748 O OE2 . GLU A 94 ? 0.5220 0.7179 0.5490 -0.0034 -0.0561 0.1097 94 GLU A OE2 749 N N . ASP A 95 ? 0.4385 0.5537 0.4097 0.0139 -0.0571 0.0840 95 ASP A N 750 C CA . ASP A 95 ? 0.4234 0.5329 0.3856 0.0201 -0.0567 0.0830 95 ASP A CA 751 C C . ASP A 95 ? 0.4623 0.5503 0.4142 0.0207 -0.0529 0.0757 95 ASP A C 752 O O . ASP A 95 ? 0.4628 0.5407 0.4063 0.0158 -0.0578 0.0704 95 ASP A O 753 C CB . ASP A 95 ? 0.4395 0.5557 0.3975 0.0151 -0.0665 0.0834 95 ASP A CB 754 C CG . ASP A 95 ? 0.5345 0.6451 0.4818 0.0212 -0.0665 0.0824 95 ASP A CG 755 O OD1 . ASP A 95 ? 0.5159 0.6166 0.4589 0.0287 -0.0587 0.0817 95 ASP A OD1 756 O OD2 . ASP A 95 ? 0.6358 0.7521 0.5785 0.0180 -0.0743 0.0828 95 ASP A OD2 757 N N . CYS A 96 ? 0.4091 0.4904 0.3615 0.0267 -0.0443 0.0756 96 CYS A N 758 C CA . CYS A 96 ? 0.4157 0.4803 0.3611 0.0266 -0.0403 0.0697 96 CYS A CA 759 C C . CYS A 96 ? 0.4613 0.5181 0.4021 0.0335 -0.0327 0.0699 96 CYS A C 760 O O . CYS A 96 ? 0.4641 0.5098 0.4008 0.0330 -0.0290 0.0657 96 CYS A O 761 C CB . CYS A 96 ? 0.4110 0.4737 0.3621 0.0225 -0.0386 0.0681 96 CYS A CB 762 S SG . CYS A 96 ? 0.4508 0.5209 0.4108 0.0276 -0.0311 0.0730 96 CYS A SG 763 N N . LEU A 97 ? 0.4137 0.4763 0.3555 0.0397 -0.0304 0.0752 97 LEU A N 764 C CA . LEU A 97 ? 0.4140 0.4670 0.3506 0.0457 -0.0230 0.0762 97 LEU A CA 765 C C . LEU A 97 ? 0.4598 0.5056 0.3862 0.0466 -0.0233 0.0747 97 LEU A C 766 O O . LEU A 97 ? 0.4521 0.5004 0.3745 0.0512 -0.0236 0.0789 97 LEU A O 767 C CB . LEU A 97 ? 0.4136 0.4729 0.3542 0.0533 -0.0194 0.0827 97 LEU A CB 768 C CG . LEU A 97 ? 0.4328 0.4979 0.3823 0.0537 -0.0167 0.0839 97 LEU A CG 769 C CD1 . LEU A 97 ? 0.4228 0.4910 0.3737 0.0634 -0.0116 0.0897 97 LEU A CD1 770 C CD2 . LEU A 97 ? 0.4080 0.4607 0.3557 0.0496 -0.0127 0.0784 97 LEU A CD2 771 N N . TYR A 98 ? 0.4221 0.4595 0.3441 0.0425 -0.0229 0.0691 98 TYR A N 772 C CA . TYR A 98 ? 0.4265 0.4578 0.3389 0.0429 -0.0223 0.0669 98 TYR A CA 773 C C . TYR A 98 ? 0.4609 0.4830 0.3712 0.0418 -0.0161 0.0641 98 TYR A C 774 O O . TYR A 98 ? 0.4188 0.4387 0.3343 0.0393 -0.0142 0.0620 98 TYR A O 775 C CB . TYR A 98 ? 0.4521 0.4850 0.3604 0.0394 -0.0292 0.0625 98 TYR A CB 776 C CG . TYR A 98 ? 0.4644 0.5071 0.3746 0.0385 -0.0365 0.0651 98 TYR A CG 777 C CD1 . TYR A 98 ? 0.4544 0.5038 0.3732 0.0343 -0.0407 0.0655 98 TYR A CD1 778 C CD2 . TYR A 98 ? 0.4817 0.5282 0.3851 0.0413 -0.0395 0.0676 98 TYR A CD2 779 C CE1 . TYR A 98 ? 0.4469 0.5078 0.3686 0.0322 -0.0477 0.0686 98 TYR A CE1 780 C CE2 . TYR A 98 ? 0.4927 0.5503 0.3983 0.0398 -0.0469 0.0704 98 TYR A CE2 781 C CZ . TYR A 98 ? 0.5171 0.5824 0.4323 0.0349 -0.0511 0.0709 98 TYR A CZ 782 O OH . TYR A 98 ? 0.4994 0.5777 0.4177 0.0322 -0.0588 0.0741 98 TYR A OH 783 N N . LEU A 99 ? 0.4494 0.4671 0.3520 0.0432 -0.0129 0.0646 99 LEU A N 784 C CA . LEU A 99 ? 0.4353 0.4468 0.3363 0.0410 -0.0073 0.0625 99 LEU A CA 785 C C . LEU A 99 ? 0.4928 0.5052 0.3870 0.0407 -0.0076 0.0598 99 LEU A C 786 O O . LEU A 99 ? 0.4684 0.4838 0.3570 0.0428 -0.0114 0.0597 99 LEU A O 787 C CB . LEU A 99 ? 0.4291 0.4331 0.3280 0.0422 -0.0011 0.0669 99 LEU A CB 788 C CG . LEU A 99 ? 0.4578 0.4595 0.3493 0.0464 0.0004 0.0725 99 LEU A CG 789 C CD1 . LEU A 99 ? 0.4501 0.4511 0.3339 0.0449 0.0027 0.0723 99 LEU A CD1 790 C CD2 . LEU A 99 ? 0.4634 0.4553 0.3536 0.0484 0.0054 0.0768 99 LEU A CD2 791 N N . ASN A 100 ? 0.4548 0.4657 0.3494 0.0382 -0.0035 0.0574 100 ASN A N 792 C CA . ASN A 100 ? 0.4565 0.4703 0.3458 0.0388 -0.0027 0.0546 100 ASN A CA 793 C C . ASN A 100 ? 0.4760 0.4895 0.3632 0.0369 0.0039 0.0574 100 ASN A C 794 O O . ASN A 100 ? 0.4415 0.4515 0.3330 0.0333 0.0072 0.0588 100 ASN A O 795 C CB . ASN A 100 ? 0.4199 0.4354 0.3131 0.0376 -0.0050 0.0490 100 ASN A CB 796 C CG . ASN A 100 ? 0.5725 0.5867 0.4687 0.0373 -0.0113 0.0469 100 ASN A CG 797 O OD1 . ASN A 100 ? 0.5222 0.5364 0.4135 0.0389 -0.0163 0.0461 100 ASN A OD1 798 N ND2 . ASN A 100 ? 0.4310 0.4442 0.3347 0.0346 -0.0114 0.0464 100 ASN A ND2 799 N N . VAL A 101 ? 0.4546 0.4718 0.3347 0.0387 0.0058 0.0581 101 VAL A N 800 C CA . VAL A 101 ? 0.4544 0.4732 0.3324 0.0360 0.0123 0.0615 101 VAL A CA 801 C C . VAL A 101 ? 0.5221 0.5504 0.3980 0.0376 0.0138 0.0584 101 VAL A C 802 O O . VAL A 101 ? 0.5187 0.5491 0.3877 0.0425 0.0113 0.0562 101 VAL A O 803 C CB . VAL A 101 ? 0.4888 0.5033 0.3586 0.0372 0.0147 0.0680 101 VAL A CB 804 C CG1 . VAL A 101 ? 0.4816 0.4967 0.3493 0.0324 0.0215 0.0722 101 VAL A CG1 805 C CG2 . VAL A 101 ? 0.4849 0.4903 0.3558 0.0381 0.0131 0.0714 101 VAL A CG2 806 N N . TRP A 102 ? 0.4666 0.5008 0.3477 0.0336 0.0180 0.0584 102 TRP A N 807 C CA . TRP A 102 ? 0.4621 0.5083 0.3422 0.0357 0.0210 0.0569 102 TRP A CA 808 C C . TRP A 102 ? 0.5120 0.5632 0.3913 0.0303 0.0276 0.0630 102 TRP A C 809 O O . TRP A 102 ? 0.4939 0.5403 0.3773 0.0233 0.0294 0.0660 102 TRP A O 810 C CB . TRP A 102 ? 0.4423 0.4950 0.3307 0.0354 0.0201 0.0525 102 TRP A CB 811 C CG . TRP A 102 ? 0.4565 0.5046 0.3446 0.0404 0.0141 0.0467 102 TRP A CG 812 C CD1 . TRP A 102 ? 0.4979 0.5485 0.3807 0.0474 0.0123 0.0422 102 TRP A CD1 813 C CD2 . TRP A 102 ? 0.4495 0.4888 0.3423 0.0384 0.0094 0.0449 102 TRP A CD2 814 N NE1 . TRP A 102 ? 0.4809 0.5235 0.3646 0.0489 0.0064 0.0379 102 TRP A NE1 815 C CE2 . TRP A 102 ? 0.4972 0.5341 0.3877 0.0433 0.0046 0.0397 102 TRP A CE2 816 C CE3 . TRP A 102 ? 0.4618 0.4948 0.3598 0.0332 0.0091 0.0473 102 TRP A CE3 817 C CZ2 . TRP A 102 ? 0.4861 0.5158 0.3803 0.0419 -0.0005 0.0375 102 TRP A CZ2 818 C CZ3 . TRP A 102 ? 0.4777 0.5049 0.3795 0.0330 0.0045 0.0448 102 TRP A CZ3 819 C CH2 . TRP A 102 ? 0.4864 0.5127 0.3869 0.0368 -0.0003 0.0403 102 TRP A CH2 820 N N . THR A 103 ? 0.5070 0.5670 0.3800 0.0334 0.0311 0.0648 103 THR A N 821 C CA . THR A 103 ? 0.5057 0.5724 0.3776 0.0278 0.0376 0.0712 103 THR A CA 822 C C . THR A 103 ? 0.5485 0.6332 0.4198 0.0318 0.0415 0.0704 103 THR A C 823 O O . THR A 103 ? 0.5407 0.6277 0.4075 0.0407 0.0391 0.0652 103 THR A O 824 C CB . THR A 103 ? 0.6125 0.6702 0.4737 0.0279 0.0391 0.0772 103 THR A CB 825 O OG1 . THR A 103 ? 0.6473 0.7106 0.4990 0.0356 0.0391 0.0762 103 THR A OG1 826 C CG2 . THR A 103 ? 0.6086 0.6495 0.4682 0.0281 0.0347 0.0777 103 THR A CG2 827 N N . PRO A 104 ? 0.5106 0.6080 0.3850 0.0258 0.0478 0.0758 104 PRO A N 828 C CA . PRO A 104 ? 0.5104 0.6277 0.3836 0.0308 0.0527 0.0762 104 PRO A CA 829 C C . PRO A 104 ? 0.5721 0.6870 0.4310 0.0395 0.0533 0.0761 104 PRO A C 830 O O . PRO A 104 ? 0.5777 0.6784 0.4286 0.0388 0.0513 0.0784 104 PRO A O 831 C CB . PRO A 104 ? 0.5334 0.6618 0.4109 0.0201 0.0591 0.0843 104 PRO A CB 832 C CG . PRO A 104 ? 0.5873 0.7039 0.4721 0.0098 0.0563 0.0850 104 PRO A CG 833 C CD . PRO A 104 ? 0.5324 0.6266 0.4109 0.0138 0.0507 0.0819 104 PRO A CD 834 N N . TYR A 105 ? 0.5285 0.6576 0.3837 0.0482 0.0561 0.0733 105 TYR A N 835 C CA . TYR A 105 ? 0.5360 0.6647 0.3760 0.0569 0.0573 0.0727 105 TYR A CA 836 C C . TYR A 105 ? 0.6056 0.7565 0.4449 0.0574 0.0664 0.0782 105 TYR A C 837 O O . TYR A 105 ? 0.5936 0.7616 0.4403 0.0607 0.0695 0.0764 105 TYR A O 838 C CB . TYR A 105 ? 0.5327 0.6552 0.3658 0.0684 0.0521 0.0632 105 TYR A CB 839 C CG . TYR A 105 ? 0.5547 0.6745 0.3700 0.0773 0.0523 0.0612 105 TYR A CG 840 C CD1 . TYR A 105 ? 0.5743 0.7102 0.3828 0.0845 0.0592 0.0619 105 TYR A CD1 841 C CD2 . TYR A 105 ? 0.5602 0.6624 0.3650 0.0791 0.0453 0.0583 105 TYR A CD2 842 C CE1 . TYR A 105 ? 0.5691 0.7016 0.3592 0.0931 0.0594 0.0595 105 TYR A CE1 843 C CE2 . TYR A 105 ? 0.5741 0.6733 0.3611 0.0870 0.0446 0.0558 105 TYR A CE2 844 C CZ . TYR A 105 ? 0.6420 0.7553 0.4210 0.0941 0.0517 0.0561 105 TYR A CZ 845 O OH . TYR A 105 ? 0.6582 0.7678 0.4179 0.1021 0.0511 0.0533 105 TYR A OH 846 N N . PRO A 106 ? 0.5968 0.7489 0.4275 0.0542 0.0709 0.0855 106 PRO A N 847 C CA . PRO A 106 ? 0.6000 0.7335 0.4216 0.0506 0.0680 0.0894 106 PRO A CA 848 C C . PRO A 106 ? 0.6565 0.7783 0.4877 0.0388 0.0660 0.0934 106 PRO A C 849 O O . PRO A 106 ? 0.6313 0.7617 0.4750 0.0314 0.0682 0.0948 106 PRO A O 850 C CB . PRO A 106 ? 0.6332 0.7768 0.4440 0.0510 0.0753 0.0969 106 PRO A CB 851 C CG . PRO A 106 ? 0.6878 0.8557 0.5084 0.0478 0.0829 0.1003 106 PRO A CG 852 C CD . PRO A 106 ? 0.6156 0.7905 0.4455 0.0541 0.0801 0.0917 106 PRO A CD 853 N N . ARG A 107 ? 0.6479 0.7503 0.4728 0.0376 0.0617 0.0951 107 ARG A N 854 C CA . ARG A 107 ? 0.6585 0.7463 0.4897 0.0285 0.0597 0.0983 107 ARG A CA 855 C C . ARG A 107 ? 0.7340 0.8265 0.5688 0.0170 0.0662 0.1066 107 ARG A C 856 O O . ARG A 107 ? 0.7348 0.8386 0.5640 0.0159 0.0722 0.1125 107 ARG A O 857 C CB . ARG A 107 ? 0.6569 0.7253 0.4798 0.0312 0.0548 0.0996 107 ARG A CB 858 C CG . ARG A 107 ? 0.7070 0.7686 0.5318 0.0381 0.0467 0.0911 107 ARG A CG 859 C CD . ARG A 107 ? 0.7376 0.7835 0.5568 0.0404 0.0415 0.0929 107 ARG A CD 860 N NE . ARG A 107 ? 0.7396 0.7824 0.5462 0.0420 0.0439 0.1003 107 ARG A NE 861 C CZ . ARG A 107 ? 0.8249 0.8709 0.6200 0.0491 0.0418 0.0995 107 ARG A CZ 862 N NH1 . ARG A 107 ? 0.6096 0.6605 0.4035 0.0551 0.0372 0.0912 107 ARG A NH1 863 N NH2 . ARG A 107 ? 0.7182 0.7612 0.5016 0.0502 0.0440 0.1069 107 ARG A NH2 864 N N . PRO A 108 ? 0.7195 0.8048 0.5636 0.0077 0.0651 0.1070 108 PRO A N 865 C CA . PRO A 108 ? 0.7331 0.8217 0.5801 -0.0052 0.0706 0.1147 108 PRO A CA 866 C C . PRO A 108 ? 0.8266 0.9050 0.6609 -0.0088 0.0744 0.1242 108 PRO A C 867 O O . PRO A 108 ? 0.8328 0.8923 0.6579 -0.0043 0.0714 0.1253 108 PRO A O 868 C CB . PRO A 108 ? 0.7397 0.8138 0.5939 -0.0128 0.0668 0.1124 108 PRO A CB 869 C CG . PRO A 108 ? 0.7760 0.8493 0.6358 -0.0039 0.0608 0.1030 108 PRO A CG 870 C CD . PRO A 108 ? 0.7186 0.7915 0.5696 0.0081 0.0589 0.1008 108 PRO A CD 871 N N . ALA A 109 ? 0.8062 0.8979 0.6401 -0.0167 0.0811 0.1316 109 ALA A N 872 C CA . ALA A 109 ? 0.8380 0.9214 0.6597 -0.0218 0.0857 0.1420 109 ALA A CA 873 C C . ALA A 109 ? 0.8937 0.9509 0.7121 -0.0325 0.0845 0.1467 109 ALA A C 874 O O . ALA A 109 ? 0.9097 0.9481 0.7153 -0.0316 0.0849 0.1528 109 ALA A O 875 C CB . ALA A 109 ? 0.8561 0.9641 0.6802 -0.0285 0.0934 0.1487 109 ALA A CB 876 N N . SER A 110 ? 0.8150 0.8701 0.6438 -0.0419 0.0828 0.1437 110 SER A N 877 C CA . SER A 110 ? 0.8073 0.8365 0.6323 -0.0523 0.0815 0.1467 110 SER A CA 878 C C . SER A 110 ? 0.8012 0.8165 0.6315 -0.0478 0.0750 0.1376 110 SER A C 879 O O . SER A 110 ? 0.7641 0.7950 0.6048 -0.0417 0.0721 0.1297 110 SER A O 880 C CB . SER A 110 ? 0.8577 0.8953 0.6881 -0.0698 0.0853 0.1518 110 SER A CB 881 O OG . SER A 110 ? 1.0134 1.0759 0.8595 -0.0714 0.0842 0.1459 110 SER A OG 882 N N . PRO A 111 ? 0.7346 0.7203 0.5568 -0.0500 0.0729 0.1388 111 PRO A N 883 C CA . PRO A 111 ? 0.6969 0.6706 0.5236 -0.0450 0.0674 0.1306 111 PRO A CA 884 C C . PRO A 111 ? 0.7152 0.7028 0.5556 -0.0515 0.0655 0.1240 111 PRO A C 885 O O . PRO A 111 ? 0.7209 0.7111 0.5639 -0.0653 0.0675 0.1267 111 PRO A O 886 C CB . PRO A 111 ? 0.7367 0.6774 0.5511 -0.0488 0.0674 0.1347 111 PRO A CB 887 C CG . PRO A 111 ? 0.8256 0.7596 0.6273 -0.0496 0.0716 0.1446 111 PRO A CG 888 C CD . PRO A 111 ? 0.7700 0.7313 0.5775 -0.0561 0.0758 0.1479 111 PRO A CD 889 N N . THR A 112 ? 0.6334 0.6309 0.4823 -0.0419 0.0614 0.1159 112 THR A N 890 C CA . THR A 112 ? 0.6091 0.6216 0.4711 -0.0447 0.0590 0.1093 112 THR A CA 891 C C . THR A 112 ? 0.6379 0.6330 0.5010 -0.0437 0.0544 0.1034 112 THR A C 892 O O . THR A 112 ? 0.6129 0.5963 0.4721 -0.0336 0.0519 0.1011 112 THR A O 893 C CB . THR A 112 ? 0.6518 0.6875 0.5208 -0.0338 0.0580 0.1048 112 THR A CB 894 O OG1 . THR A 112 ? 0.7191 0.7705 0.5856 -0.0344 0.0630 0.1105 112 THR A OG1 895 C CG2 . THR A 112 ? 0.5675 0.6199 0.4497 -0.0348 0.0556 0.0986 112 THR A CG2 896 N N . PRO A 113 ? 0.5946 0.5911 0.4639 -0.0535 0.0531 0.1005 113 PRO A N 897 C CA . PRO A 113 ? 0.5669 0.5487 0.4369 -0.0516 0.0490 0.0944 113 PRO A CA 898 C C . PRO A 113 ? 0.5859 0.5754 0.4620 -0.0382 0.0453 0.0883 113 PRO A C 899 O O . PRO A 113 ? 0.5800 0.5905 0.4636 -0.0332 0.0448 0.0862 113 PRO A O 900 C CB . PRO A 113 ? 0.5829 0.5737 0.4602 -0.0640 0.0480 0.0923 113 PRO A CB 901 C CG . PRO A 113 ? 0.6641 0.6622 0.5396 -0.0758 0.0522 0.0995 113 PRO A CG 902 C CD . PRO A 113 ? 0.6075 0.6200 0.4831 -0.0669 0.0552 0.1031 113 PRO A CD 903 N N . VAL A 114 ? 0.5222 0.4937 0.3940 -0.0322 0.0429 0.0858 114 VAL A N 904 C CA . VAL A 114 ? 0.5020 0.4777 0.3784 -0.0208 0.0391 0.0808 114 VAL A CA 905 C C . VAL A 114 ? 0.5324 0.5083 0.4155 -0.0224 0.0359 0.0747 114 VAL A C 906 O O . VAL A 114 ? 0.5350 0.4961 0.4140 -0.0284 0.0362 0.0741 114 VAL A O 907 C CB . VAL A 114 ? 0.5283 0.4876 0.3963 -0.0122 0.0388 0.0833 114 VAL A CB 908 C CG1 . VAL A 114 ? 0.5063 0.4706 0.3796 -0.0021 0.0345 0.0787 114 VAL A CG1 909 C CG2 . VAL A 114 ? 0.5263 0.4861 0.3870 -0.0102 0.0416 0.0896 114 VAL A CG2 910 N N . LEU A 115 ? 0.4937 0.4846 0.3854 -0.0169 0.0328 0.0702 115 LEU A N 911 C CA . LEU A 115 ? 0.4938 0.4853 0.3914 -0.0168 0.0295 0.0647 115 LEU A CA 912 C C . LEU A 115 ? 0.5208 0.5082 0.4186 -0.0065 0.0265 0.0626 115 LEU A C 913 O O . LEU A 115 ? 0.5090 0.5046 0.4078 0.0000 0.0253 0.0627 115 LEU A O 914 C CB . LEU A 115 ? 0.4912 0.5032 0.3984 -0.0183 0.0280 0.0618 115 LEU A CB 915 C CG . LEU A 115 ? 0.5797 0.5989 0.4902 -0.0295 0.0291 0.0625 115 LEU A CG 916 C CD1 . LEU A 115 ? 0.5742 0.6174 0.4942 -0.0281 0.0284 0.0612 115 LEU A CD1 917 C CD2 . LEU A 115 ? 0.6430 0.6525 0.5535 -0.0342 0.0266 0.0589 115 LEU A CD2 918 N N . ILE A 116 ? 0.4885 0.4637 0.3847 -0.0053 0.0254 0.0609 116 ILE A N 919 C CA . ILE A 116 ? 0.4578 0.4317 0.3557 0.0034 0.0226 0.0596 116 ILE A CA 920 C C . ILE A 116 ? 0.4647 0.4436 0.3693 0.0031 0.0196 0.0548 116 ILE A C 921 O O . ILE A 116 ? 0.4510 0.4220 0.3540 -0.0009 0.0203 0.0533 116 ILE A O 922 C CB . ILE A 116 ? 0.4977 0.4558 0.3884 0.0078 0.0242 0.0627 116 ILE A CB 923 C CG1 . ILE A 116 ? 0.5010 0.4520 0.3835 0.0080 0.0273 0.0682 116 ILE A CG1 924 C CG2 . ILE A 116 ? 0.4866 0.4488 0.3813 0.0162 0.0210 0.0619 116 ILE A CG2 925 C CD1 . ILE A 116 ? 0.5122 0.4468 0.3868 0.0141 0.0289 0.0719 116 ILE A CD1 926 N N . TRP A 117 ? 0.4116 0.4018 0.3221 0.0075 0.0161 0.0526 117 TRP A N 927 C CA . TRP A 117 ? 0.4047 0.3997 0.3210 0.0077 0.0130 0.0488 117 TRP A CA 928 C C . TRP A 117 ? 0.4717 0.4616 0.3885 0.0123 0.0112 0.0488 117 TRP A C 929 O O . TRP A 117 ? 0.4802 0.4711 0.3966 0.0173 0.0098 0.0506 117 TRP A O 930 C CB . TRP A 117 ? 0.3784 0.3860 0.2993 0.0101 0.0101 0.0466 117 TRP A CB 931 C CG . TRP A 117 ? 0.3895 0.4004 0.3152 0.0109 0.0065 0.0434 117 TRP A CG 932 C CD1 . TRP A 117 ? 0.4160 0.4276 0.3434 0.0152 0.0027 0.0422 117 TRP A CD1 933 C CD2 . TRP A 117 ? 0.3828 0.3959 0.3115 0.0066 0.0062 0.0415 117 TRP A CD2 934 N NE1 . TRP A 117 ? 0.4100 0.4235 0.3411 0.0141 0.0004 0.0400 117 TRP A NE1 935 C CE2 . TRP A 117 ? 0.4273 0.4424 0.3592 0.0093 0.0025 0.0395 117 TRP A CE2 936 C CE3 . TRP A 117 ? 0.4044 0.4183 0.3329 0.0000 0.0084 0.0415 117 TRP A CE3 937 C CZ2 . TRP A 117 ? 0.4084 0.4265 0.3432 0.0067 0.0011 0.0376 117 TRP A CZ2 938 C CZ3 . TRP A 117 ? 0.4070 0.4253 0.3387 -0.0029 0.0065 0.0393 117 TRP A CZ3 939 C CH2 . TRP A 117 ? 0.4079 0.4282 0.3426 0.0009 0.0030 0.0375 117 TRP A CH2 940 N N . ILE A 118 ? 0.4282 0.4144 0.3462 0.0104 0.0112 0.0469 118 ILE A N 941 C CA . ILE A 118 ? 0.4170 0.4014 0.3366 0.0145 0.0100 0.0471 118 ILE A CA 942 C C . ILE A 118 ? 0.4296 0.4212 0.3547 0.0130 0.0067 0.0441 118 ILE A C 943 O O . ILE A 118 ? 0.4216 0.4119 0.3462 0.0089 0.0073 0.0421 118 ILE A O 944 C CB . ILE A 118 ? 0.4600 0.4323 0.3740 0.0151 0.0136 0.0480 118 ILE A CB 945 C CG1 . ILE A 118 ? 0.4752 0.4375 0.3821 0.0167 0.0170 0.0514 118 ILE A CG1 946 C CG2 . ILE A 118 ? 0.4435 0.4181 0.3606 0.0204 0.0128 0.0488 118 ILE A CG2 947 C CD1 . ILE A 118 ? 0.5068 0.4529 0.4051 0.0180 0.0210 0.0520 118 ILE A CD1 948 N N . TYR A 119 ? 0.3959 0.3940 0.3252 0.0158 0.0029 0.0441 119 TYR A N 949 C CA . TYR A 119 ? 0.3816 0.3845 0.3148 0.0146 -0.0005 0.0419 119 TYR A CA 950 C C . TYR A 119 ? 0.4168 0.4175 0.3508 0.0139 0.0002 0.0420 119 TYR A C 951 O O . TYR A 119 ? 0.4061 0.4031 0.3387 0.0160 0.0026 0.0440 119 TYR A O 952 C CB . TYR A 119 ? 0.3888 0.3959 0.3242 0.0171 -0.0050 0.0420 119 TYR A CB 953 C CG . TYR A 119 ? 0.3971 0.4047 0.3335 0.0195 -0.0063 0.0447 119 TYR A CG 954 C CD1 . TYR A 119 ? 0.4055 0.4148 0.3453 0.0192 -0.0070 0.0463 119 TYR A CD1 955 C CD2 . TYR A 119 ? 0.4016 0.4101 0.3360 0.0219 -0.0072 0.0462 119 TYR A CD2 956 C CE1 . TYR A 119 ? 0.3947 0.4080 0.3370 0.0212 -0.0084 0.0495 119 TYR A CE1 957 C CE2 . TYR A 119 ? 0.4189 0.4304 0.3549 0.0239 -0.0091 0.0491 119 TYR A CE2 958 C CZ . TYR A 119 ? 0.4540 0.4688 0.3947 0.0234 -0.0097 0.0510 119 TYR A CZ 959 O OH . TYR A 119 ? 0.4449 0.4660 0.3886 0.0251 -0.0119 0.0545 119 TYR A OH 960 N N . GLY A 120 ? 0.3815 0.3849 0.3174 0.0118 -0.0019 0.0402 120 GLY A N 961 C CA . GLY A 120 ? 0.3919 0.3948 0.3283 0.0110 -0.0018 0.0404 120 GLY A CA 962 C C . GLY A 120 ? 0.4597 0.4668 0.4001 0.0121 -0.0056 0.0419 120 GLY A C 963 O O . GLY A 120 ? 0.4382 0.4471 0.3801 0.0134 -0.0084 0.0426 120 GLY A O 964 N N . GLY A 121 ? 0.4249 0.4330 0.3661 0.0109 -0.0059 0.0425 121 GLY A N 965 C CA . GLY A 121 ? 0.4177 0.4293 0.3622 0.0104 -0.0092 0.0448 121 GLY A CA 966 C C . GLY A 121 ? 0.4458 0.4603 0.3916 0.0108 -0.0066 0.0477 121 GLY A C 967 O O . GLY A 121 ? 0.4283 0.4480 0.3781 0.0105 -0.0083 0.0510 121 GLY A O 968 N N . GLY A 122 ? 0.4124 0.4239 0.3541 0.0113 -0.0025 0.0464 122 GLY A N 969 C CA . GLY A 122 ? 0.4065 0.4199 0.3471 0.0127 0.0011 0.0483 122 GLY A CA 970 C C . GLY A 122 ? 0.4666 0.4842 0.4099 0.0171 0.0040 0.0516 122 GLY A C 971 O O . GLY A 122 ? 0.4621 0.4857 0.4070 0.0188 0.0064 0.0546 122 GLY A O 972 N N . PHE A 123 ? 0.4124 0.4283 0.3563 0.0194 0.0040 0.0517 123 PHE A N 973 C CA . PHE A 123 ? 0.3895 0.4107 0.3364 0.0243 0.0060 0.0555 123 PHE A CA 974 C C . PHE A 123 ? 0.4079 0.4418 0.3633 0.0227 0.0021 0.0598 123 PHE A C 975 O O . PHE A 123 ? 0.3919 0.4343 0.3514 0.0265 0.0035 0.0638 123 PHE A O 976 C CB . PHE A 123 ? 0.4029 0.4214 0.3453 0.0300 0.0125 0.0562 123 PHE A CB 977 C CG . PHE A 123 ? 0.4198 0.4232 0.3523 0.0313 0.0160 0.0523 123 PHE A CG 978 C CD1 . PHE A 123 ? 0.4436 0.4405 0.3734 0.0336 0.0167 0.0525 123 PHE A CD1 979 C CD2 . PHE A 123 ? 0.4280 0.4233 0.3529 0.0294 0.0183 0.0488 123 PHE A CD2 980 C CE1 . PHE A 123 ? 0.4713 0.4530 0.3912 0.0333 0.0198 0.0494 123 PHE A CE1 981 C CE2 . PHE A 123 ? 0.4763 0.4564 0.3910 0.0291 0.0210 0.0452 123 PHE A CE2 982 C CZ . PHE A 123 ? 0.4707 0.4438 0.3831 0.0306 0.0218 0.0456 123 PHE A CZ 983 N N . TYR A 124 ? 0.3730 0.4081 0.3305 0.0169 -0.0028 0.0593 124 TYR A N 984 C CA . TYR A 124 ? 0.3727 0.4176 0.3369 0.0133 -0.0073 0.0633 124 TYR A CA 985 C C . TYR A 124 ? 0.4181 0.4585 0.3816 0.0096 -0.0138 0.0613 124 TYR A C 986 O O . TYR A 124 ? 0.3880 0.4333 0.3551 0.0055 -0.0187 0.0639 124 TYR A O 987 C CB . TYR A 124 ? 0.3904 0.4395 0.3562 0.0097 -0.0072 0.0656 124 TYR A CB 988 C CG . TYR A 124 ? 0.4162 0.4563 0.3777 0.0055 -0.0103 0.0626 124 TYR A CG 989 C CD1 . TYR A 124 ? 0.4418 0.4794 0.4041 0.0004 -0.0167 0.0631 124 TYR A CD1 990 C CD2 . TYR A 124 ? 0.4259 0.4596 0.3818 0.0068 -0.0073 0.0595 124 TYR A CD2 991 C CE1 . TYR A 124 ? 0.4436 0.4721 0.4012 -0.0017 -0.0195 0.0606 124 TYR A CE1 992 C CE2 . TYR A 124 ? 0.4476 0.4750 0.4000 0.0038 -0.0104 0.0573 124 TYR A CE2 993 C CZ . TYR A 124 ? 0.5483 0.5732 0.5017 0.0004 -0.0163 0.0581 124 TYR A CZ 994 O OH . TYR A 124 ? 0.5829 0.6011 0.5324 -0.0010 -0.0192 0.0564 124 TYR A OH 995 N N . SER A 125 ? 0.3799 0.4108 0.3381 0.0107 -0.0138 0.0568 125 SER A N 996 C CA . SER A 125 ? 0.3737 0.3995 0.3295 0.0087 -0.0191 0.0543 125 SER A CA 997 C C . SER A 125 ? 0.4241 0.4444 0.3756 0.0119 -0.0172 0.0508 125 SER A C 998 O O . SER A 125 ? 0.4043 0.4232 0.3543 0.0145 -0.0122 0.0502 125 SER A O 999 C CB . SER A 125 ? 0.4129 0.4336 0.3669 0.0052 -0.0223 0.0530 125 SER A CB 1000 O OG . SER A 125 ? 0.4162 0.4334 0.3674 0.0066 -0.0190 0.0506 125 SER A OG 1001 N N . GLY A 126 ? 0.4057 0.4220 0.3542 0.0116 -0.0211 0.0484 126 GLY A N 1002 C CA . GLY A 126 ? 0.4070 0.4198 0.3513 0.0143 -0.0196 0.0454 126 GLY A CA 1003 C C . GLY A 126 ? 0.4458 0.4595 0.3882 0.0160 -0.0214 0.0458 126 GLY A C 1004 O O . GLY A 126 ? 0.4495 0.4679 0.3945 0.0154 -0.0235 0.0488 126 GLY A O 1005 N N . ALA A 127 ? 0.3933 0.4040 0.3311 0.0181 -0.0208 0.0432 127 ALA A N 1006 C CA . ALA A 127 ? 0.4029 0.4138 0.3367 0.0202 -0.0223 0.0430 127 ALA A CA 1007 C C . ALA A 127 ? 0.4755 0.4852 0.4055 0.0227 -0.0185 0.0412 127 ALA A C 1008 O O . ALA A 127 ? 0.4614 0.4704 0.3913 0.0226 -0.0172 0.0389 127 ALA A O 1009 C CB . ALA A 127 ? 0.4086 0.4159 0.3384 0.0191 -0.0287 0.0410 127 ALA A CB 1010 N N . ALA A 128 ? 0.4485 0.4593 0.3755 0.0248 -0.0168 0.0428 128 ALA A N 1011 C CA . ALA A 128 ? 0.4458 0.4566 0.3690 0.0264 -0.0129 0.0420 128 ALA A CA 1012 C C . ALA A 128 ? 0.5173 0.5278 0.4350 0.0288 -0.0155 0.0385 128 ALA A C 1013 O O . ALA A 128 ? 0.5088 0.5217 0.4238 0.0305 -0.0123 0.0376 128 ALA A O 1014 C CB . ALA A 128 ? 0.4514 0.4623 0.3721 0.0280 -0.0102 0.0455 128 ALA A CB 1015 N N . SER A 129 ? 0.4605 0.4678 0.3758 0.0289 -0.0212 0.0366 129 SER A N 1016 C CA . SER A 129 ? 0.4450 0.4485 0.3526 0.0319 -0.0244 0.0327 129 SER A CA 1017 C C . SER A 129 ? 0.4855 0.4859 0.3926 0.0334 -0.0250 0.0294 129 SER A C 1018 O O . SER A 129 ? 0.5035 0.4992 0.4029 0.0373 -0.0271 0.0259 129 SER A O 1019 C CB . SER A 129 ? 0.4668 0.4659 0.3698 0.0305 -0.0309 0.0323 129 SER A CB 1020 O OG . SER A 129 ? 0.5064 0.5042 0.4148 0.0259 -0.0345 0.0336 129 SER A OG 1021 N N . LEU A 130 ? 0.4240 0.4266 0.3382 0.0311 -0.0233 0.0305 130 LEU A N 1022 C CA . LEU A 130 ? 0.4114 0.4120 0.3253 0.0332 -0.0242 0.0280 130 LEU A CA 1023 C C . LEU A 130 ? 0.4717 0.4780 0.3833 0.0383 -0.0205 0.0263 130 LEU A C 1024 O O . LEU A 130 ? 0.4541 0.4679 0.3679 0.0377 -0.0159 0.0280 130 LEU A O 1025 C CB . LEU A 130 ? 0.3997 0.4027 0.3211 0.0296 -0.0231 0.0298 130 LEU A CB 1026 C CG . LEU A 130 ? 0.4609 0.4613 0.3858 0.0247 -0.0254 0.0323 130 LEU A CG 1027 C CD1 . LEU A 130 ? 0.4436 0.4460 0.3737 0.0223 -0.0240 0.0335 130 LEU A CD1 1028 C CD2 . LEU A 130 ? 0.4906 0.4828 0.4109 0.0236 -0.0316 0.0315 130 LEU A CD2 1029 N N . ASP A 131 ? 0.4717 0.4742 0.3783 0.0436 -0.0224 0.0232 131 ASP A N 1030 C CA . ASP A 131 ? 0.4856 0.4957 0.3904 0.0501 -0.0188 0.0218 131 ASP A CA 1031 C C . ASP A 131 ? 0.5201 0.5444 0.4343 0.0477 -0.0140 0.0244 131 ASP A C 1032 O O . ASP A 131 ? 0.5221 0.5567 0.4366 0.0502 -0.0097 0.0249 131 ASP A O 1033 C CB . ASP A 131 ? 0.5153 0.5180 0.4136 0.0571 -0.0219 0.0184 131 ASP A CB 1034 C CG . ASP A 131 ? 0.5883 0.5761 0.4737 0.0607 -0.0262 0.0147 131 ASP A CG 1035 O OD1 . ASP A 131 ? 0.5890 0.5751 0.4708 0.0581 -0.0268 0.0147 131 ASP A OD1 1036 O OD2 . ASP A 131 ? 0.7313 0.7084 0.6091 0.0661 -0.0292 0.0118 131 ASP A OD2 1037 N N . VAL A 132 ? 0.4743 0.4994 0.3953 0.0425 -0.0146 0.0261 132 VAL A N 1038 C CA . VAL A 132 ? 0.4722 0.5095 0.4008 0.0390 -0.0109 0.0282 132 VAL A CA 1039 C C . VAL A 132 ? 0.4824 0.5234 0.4131 0.0334 -0.0069 0.0307 132 VAL A C 1040 O O . VAL A 132 ? 0.4512 0.5018 0.3867 0.0297 -0.0037 0.0323 132 VAL A O 1041 C CB . VAL A 132 ? 0.5276 0.5648 0.4612 0.0356 -0.0128 0.0288 132 VAL A CB 1042 C CG1 . VAL A 132 ? 0.5511 0.5898 0.4837 0.0420 -0.0152 0.0274 132 VAL A CG1 1043 C CG2 . VAL A 132 ? 0.5150 0.5411 0.4478 0.0314 -0.0154 0.0295 132 VAL A CG2 1044 N N . TYR A 133 ? 0.4318 0.4649 0.3586 0.0324 -0.0073 0.0313 133 TYR A N 1045 C CA . TYR A 133 ? 0.4237 0.4572 0.3506 0.0283 -0.0037 0.0341 133 TYR A CA 1046 C C . TYR A 133 ? 0.4721 0.5088 0.3937 0.0318 -0.0015 0.0345 133 TYR A C 1047 O O . TYR A 133 ? 0.4662 0.5009 0.3856 0.0298 0.0008 0.0371 133 TYR A O 1048 C CB . TYR A 133 ? 0.4189 0.4433 0.3454 0.0258 -0.0054 0.0354 133 TYR A CB 1049 C CG . TYR A 133 ? 0.4253 0.4464 0.3558 0.0231 -0.0075 0.0352 133 TYR A CG 1050 C CD1 . TYR A 133 ? 0.4398 0.4651 0.3741 0.0204 -0.0064 0.0347 133 TYR A CD1 1051 C CD2 . TYR A 133 ? 0.4283 0.4434 0.3588 0.0228 -0.0105 0.0358 133 TYR A CD2 1052 C CE1 . TYR A 133 ? 0.4352 0.4576 0.3719 0.0181 -0.0082 0.0346 133 TYR A CE1 1053 C CE2 . TYR A 133 ? 0.4243 0.4376 0.3581 0.0203 -0.0118 0.0361 133 TYR A CE2 1054 C CZ . TYR A 133 ? 0.4498 0.4660 0.3861 0.0183 -0.0105 0.0354 133 TYR A CZ 1055 O OH . TYR A 133 ? 0.4272 0.4416 0.3656 0.0161 -0.0116 0.0358 133 TYR A OH 1056 N N . ASP A 134 ? 0.4378 0.4788 0.3564 0.0379 -0.0020 0.0321 134 ASP A N 1057 C CA . ASP A 134 ? 0.4514 0.4961 0.3634 0.0425 0.0004 0.0320 134 ASP A CA 1058 C C . ASP A 134 ? 0.4737 0.5296 0.3887 0.0389 0.0064 0.0358 134 ASP A C 1059 O O . ASP A 134 ? 0.4358 0.5036 0.3563 0.0383 0.0089 0.0364 134 ASP A O 1060 C CB . ASP A 134 ? 0.4751 0.5217 0.3827 0.0508 -0.0009 0.0283 134 ASP A CB 1061 C CG . ASP A 134 ? 0.5891 0.6379 0.4875 0.0573 0.0012 0.0271 134 ASP A CG 1062 O OD1 . ASP A 134 ? 0.5816 0.6334 0.4780 0.0549 0.0043 0.0300 134 ASP A OD1 1063 O OD2 . ASP A 134 ? 0.7005 0.7474 0.5927 0.0653 -0.0001 0.0234 134 ASP A OD2 1064 N N . GLY A 135 ? 0.4377 0.4901 0.3488 0.0364 0.0084 0.0388 135 GLY A N 1065 C CA . GLY A 135 ? 0.4292 0.4891 0.3416 0.0316 0.0139 0.0432 135 GLY A CA 1066 C C . GLY A 135 ? 0.4724 0.5455 0.3822 0.0351 0.0183 0.0444 135 GLY A C 1067 O O . GLY A 135 ? 0.4792 0.5595 0.3906 0.0299 0.0230 0.0488 135 GLY A O 1068 N N . ARG A 136 ? 0.4323 0.5082 0.3375 0.0439 0.0171 0.0407 136 ARG A N 1069 C CA . ARG A 136 ? 0.4508 0.5389 0.3514 0.0495 0.0216 0.0415 136 ARG A CA 1070 C C . ARG A 136 ? 0.5054 0.6135 0.4148 0.0474 0.0265 0.0443 136 ARG A C 1071 O O . ARG A 136 ? 0.4876 0.6078 0.3955 0.0473 0.0319 0.0479 136 ARG A O 1072 C CB . ARG A 136 ? 0.4619 0.5450 0.3530 0.0604 0.0188 0.0359 136 ARG A CB 1073 C CG . ARG A 136 ? 0.5474 0.6360 0.4418 0.0671 0.0176 0.0322 136 ARG A CG 1074 C CD . ARG A 136 ? 0.6091 0.6889 0.4909 0.0782 0.0151 0.0266 136 ARG A CD 1075 N NE . ARG A 136 ? 0.7048 0.7642 0.5802 0.0765 0.0082 0.0234 136 ARG A NE 1076 C CZ . ARG A 136 ? 0.8522 0.8984 0.7140 0.0826 0.0044 0.0187 136 ARG A CZ 1077 N NH1 . ARG A 136 ? 0.6002 0.6305 0.4584 0.0788 -0.0022 0.0167 136 ARG A NH1 1078 N NH2 . ARG A 136 ? 0.6577 0.7071 0.5092 0.0923 0.0073 0.0159 136 ARG A NH2 1079 N N . PHE A 137 ? 0.4611 0.5740 0.3797 0.0453 0.0246 0.0432 137 PHE A N 1080 C CA . PHE A 137 ? 0.4481 0.5826 0.3761 0.0430 0.0283 0.0460 137 PHE A CA 1081 C C . PHE A 137 ? 0.4829 0.6225 0.4158 0.0303 0.0317 0.0517 137 PHE A C 1082 O O . PHE A 137 ? 0.4665 0.6238 0.4025 0.0280 0.0367 0.0559 137 PHE A O 1083 C CB . PHE A 137 ? 0.4466 0.5850 0.3820 0.0450 0.0247 0.0434 137 PHE A CB 1084 C CG . PHE A 137 ? 0.4701 0.5980 0.3989 0.0565 0.0207 0.0379 137 PHE A CG 1085 C CD1 . PHE A 137 ? 0.5327 0.6697 0.4574 0.0684 0.0229 0.0361 137 PHE A CD1 1086 C CD2 . PHE A 137 ? 0.4875 0.5952 0.4129 0.0555 0.0150 0.0348 137 PHE A CD2 1087 C CE1 . PHE A 137 ? 0.5514 0.6744 0.4672 0.0788 0.0189 0.0307 137 PHE A CE1 1088 C CE2 . PHE A 137 ? 0.5240 0.6200 0.4421 0.0645 0.0110 0.0301 137 PHE A CE2 1089 C CZ . PHE A 137 ? 0.5195 0.6216 0.4321 0.0760 0.0127 0.0278 137 PHE A CZ 1090 N N . LEU A 138 ? 0.4384 0.5617 0.3708 0.0224 0.0291 0.0521 138 LEU A N 1091 C CA . LEU A 138 ? 0.4456 0.5676 0.3796 0.0102 0.0317 0.0570 138 LEU A CA 1092 C C . LEU A 138 ? 0.4754 0.5968 0.4021 0.0097 0.0363 0.0613 138 LEU A C 1093 O O . LEU A 138 ? 0.4605 0.5917 0.3894 0.0016 0.0406 0.0665 138 LEU A O 1094 C CB . LEU A 138 ? 0.4442 0.5465 0.3771 0.0042 0.0282 0.0557 138 LEU A CB 1095 C CG . LEU A 138 ? 0.4871 0.5919 0.4273 0.0012 0.0246 0.0530 138 LEU A CG 1096 C CD1 . LEU A 138 ? 0.4686 0.5531 0.4057 0.0004 0.0208 0.0504 138 LEU A CD1 1097 C CD2 . LEU A 138 ? 0.4934 0.6101 0.4398 -0.0101 0.0265 0.0563 138 LEU A CD2 1098 N N . ALA A 139 ? 0.4344 0.5453 0.3520 0.0179 0.0352 0.0594 139 ALA A N 1099 C CA . ALA A 139 ? 0.4441 0.5541 0.3530 0.0191 0.0391 0.0634 139 ALA A CA 1100 C C . ALA A 139 ? 0.5170 0.6493 0.4273 0.0221 0.0445 0.0658 139 ALA A C 1101 O O . ALA A 139 ? 0.5141 0.6538 0.4236 0.0158 0.0496 0.0719 139 ALA A O 1102 C CB . ALA A 139 ? 0.4442 0.5409 0.3435 0.0278 0.0357 0.0600 139 ALA A CB 1103 N N . GLN A 140 ? 0.4925 0.6356 0.4047 0.0318 0.0438 0.0613 140 GLN A N 1104 C CA . GLN A 140 ? 0.4924 0.6582 0.4055 0.0373 0.0494 0.0632 140 GLN A CA 1105 C C . GLN A 140 ? 0.5256 0.7137 0.4512 0.0286 0.0532 0.0683 140 GLN A C 1106 O O . GLN A 140 ? 0.5086 0.7123 0.4346 0.0251 0.0592 0.0742 140 GLN A O 1107 C CB . GLN A 140 ? 0.5030 0.6716 0.4130 0.0518 0.0475 0.0567 140 GLN A CB 1108 C CG . GLN A 140 ? 0.5721 0.7556 0.4751 0.0619 0.0532 0.0573 140 GLN A CG 1109 C CD . GLN A 140 ? 0.6647 0.8781 0.5785 0.0609 0.0593 0.0621 140 GLN A CD 1110 O OE1 . GLN A 140 ? 0.5958 0.8202 0.5213 0.0593 0.0578 0.0618 140 GLN A OE1 1111 N NE2 . GLN A 140 ? 0.5492 0.7780 0.4599 0.0611 0.0663 0.0673 140 GLN A NE2 1112 N N . VAL A 141 ? 0.4788 0.6702 0.4145 0.0252 0.0496 0.0663 141 VAL A N 1113 C CA . VAL A 141 ? 0.4805 0.6960 0.4287 0.0172 0.0520 0.0707 141 VAL A CA 1114 C C . VAL A 141 ? 0.5465 0.7587 0.4969 0.0001 0.0535 0.0767 141 VAL A C 1115 O O . VAL A 141 ? 0.5297 0.7627 0.4859 -0.0074 0.0581 0.0829 141 VAL A O 1116 C CB . VAL A 141 ? 0.5097 0.7309 0.4669 0.0202 0.0473 0.0667 141 VAL A CB 1117 C CG1 . VAL A 141 ? 0.5011 0.7499 0.4719 0.0118 0.0491 0.0715 141 VAL A CG1 1118 C CG2 . VAL A 141 ? 0.5053 0.7278 0.4586 0.0374 0.0462 0.0613 141 VAL A CG2 1119 N N . GLU A 142 ? 0.4982 0.6842 0.4435 -0.0060 0.0496 0.0751 142 GLU A N 1120 C CA . GLU A 142 ? 0.4847 0.6618 0.4296 -0.0216 0.0502 0.0797 142 GLU A CA 1121 C C . GLU A 142 ? 0.5540 0.7148 0.4877 -0.0243 0.0532 0.0838 142 GLU A C 1122 O O . GLU A 142 ? 0.5761 0.7276 0.5074 -0.0369 0.0543 0.0883 142 GLU A O 1123 C CB . GLU A 142 ? 0.4908 0.6504 0.4371 -0.0268 0.0444 0.0756 142 GLU A CB 1124 C CG . GLU A 142 ? 0.5023 0.6791 0.4598 -0.0276 0.0414 0.0732 142 GLU A CG 1125 C CD . GLU A 142 ? 0.6974 0.8998 0.6645 -0.0384 0.0440 0.0786 142 GLU A CD 1126 O OE1 . GLU A 142 ? 0.6608 0.8606 0.6253 -0.0509 0.0468 0.0840 142 GLU A OE1 1127 O OE2 . GLU A 142 ? 0.7191 0.9449 0.6962 -0.0342 0.0431 0.0779 142 GLU A OE2 1128 N N . GLY A 143 ? 0.5029 0.6591 0.4285 -0.0128 0.0542 0.0823 143 GLY A N 1129 C CA . GLY A 143 ? 0.4985 0.6401 0.4126 -0.0136 0.0567 0.0864 143 GLY A CA 1130 C C . GLY A 143 ? 0.5416 0.6549 0.4495 -0.0162 0.0526 0.0849 143 GLY A C 1131 O O . GLY A 143 ? 0.5548 0.6539 0.4539 -0.0197 0.0545 0.0895 143 GLY A O 1132 N N . ALA A 144 ? 0.5017 0.6067 0.4137 -0.0138 0.0473 0.0789 144 ALA A N 1133 C CA . ALA A 144 ? 0.4886 0.5693 0.3959 -0.0155 0.0438 0.0774 144 ALA A CA 1134 C C . ALA A 144 ? 0.5261 0.5937 0.4247 -0.0058 0.0420 0.0763 144 ALA A C 1135 O O . ALA A 144 ? 0.5043 0.5798 0.4014 0.0034 0.0413 0.0737 144 ALA A O 1136 C CB . ALA A 144 ? 0.4857 0.5645 0.4002 -0.0156 0.0392 0.0717 144 ALA A CB 1137 N N . VAL A 145 ? 0.4958 0.5431 0.3884 -0.0078 0.0410 0.0780 145 VAL A N 1138 C CA . VAL A 145 ? 0.4849 0.5203 0.3712 0.0008 0.0381 0.0768 145 VAL A CA 1139 C C . VAL A 145 ? 0.5113 0.5385 0.4027 0.0018 0.0335 0.0717 145 VAL A C 1140 O O . VAL A 145 ? 0.5063 0.5236 0.3986 -0.0047 0.0337 0.0722 145 VAL A O 1141 C CB . VAL A 145 ? 0.5392 0.5599 0.4151 0.0001 0.0403 0.0831 145 VAL A CB 1142 C CG1 . VAL A 145 ? 0.5306 0.5398 0.4025 0.0085 0.0361 0.0816 145 VAL A CG1 1143 C CG2 . VAL A 145 ? 0.5374 0.5679 0.4074 0.0005 0.0446 0.0880 145 VAL A CG2 1144 N N . LEU A 146 ? 0.4783 0.5101 0.3727 0.0092 0.0294 0.0667 146 LEU A N 1145 C CA . LEU A 146 ? 0.4650 0.4912 0.3645 0.0101 0.0252 0.0623 146 LEU A CA 1146 C C . LEU A 146 ? 0.4952 0.5126 0.3913 0.0165 0.0215 0.0616 146 LEU A C 1147 O O . LEU A 146 ? 0.4795 0.5004 0.3719 0.0223 0.0197 0.0610 146 LEU A O 1148 C CB . LEU A 146 ? 0.4583 0.4970 0.3651 0.0118 0.0230 0.0574 146 LEU A CB 1149 C CG . LEU A 146 ? 0.5243 0.5585 0.4369 0.0099 0.0197 0.0539 146 LEU A CG 1150 C CD1 . LEU A 146 ? 0.5108 0.5570 0.4302 0.0066 0.0200 0.0521 146 LEU A CD1 1151 C CD2 . LEU A 146 ? 0.5138 0.5432 0.4264 0.0165 0.0147 0.0505 146 LEU A CD2 1152 N N . VAL A 147 ? 0.4695 0.4761 0.3667 0.0155 0.0204 0.0616 147 VAL A N 1153 C CA . VAL A 147 ? 0.4453 0.4460 0.3412 0.0211 0.0170 0.0617 147 VAL A CA 1154 C C . VAL A 147 ? 0.4826 0.4830 0.3852 0.0211 0.0137 0.0577 147 VAL A C 1155 O O . VAL A 147 ? 0.4664 0.4637 0.3716 0.0165 0.0152 0.0566 147 VAL A O 1156 C CB . VAL A 147 ? 0.5039 0.4920 0.3936 0.0217 0.0195 0.0669 147 VAL A CB 1157 C CG1 . VAL A 147 ? 0.5029 0.4891 0.3924 0.0285 0.0159 0.0678 147 VAL A CG1 1158 C CG2 . VAL A 147 ? 0.5043 0.4914 0.3865 0.0203 0.0233 0.0717 147 VAL A CG2 1159 N N . SER A 148 ? 0.4349 0.4379 0.3394 0.0256 0.0091 0.0559 148 SER A N 1160 C CA . SER A 148 ? 0.4168 0.4193 0.3272 0.0254 0.0061 0.0533 148 SER A CA 1161 C C . SER A 148 ? 0.4602 0.4623 0.3707 0.0296 0.0028 0.0551 148 SER A C 1162 O O . SER A 148 ? 0.4495 0.4546 0.3565 0.0325 0.0005 0.0560 148 SER A O 1163 C CB . SER A 148 ? 0.4039 0.4129 0.3182 0.0248 0.0033 0.0488 148 SER A CB 1164 O OG . SER A 148 ? 0.4763 0.4889 0.3875 0.0284 -0.0001 0.0474 148 SER A OG 1165 N N . MET A 149 ? 0.4072 0.4064 0.3212 0.0301 0.0028 0.0560 149 MET A N 1166 C CA . MET A 149 ? 0.3921 0.3946 0.3080 0.0340 -0.0004 0.0585 149 MET A CA 1167 C C . MET A 149 ? 0.4666 0.4737 0.3893 0.0327 -0.0038 0.0565 149 MET A C 1168 O O . MET A 149 ? 0.4662 0.4713 0.3915 0.0298 -0.0025 0.0541 149 MET A O 1169 C CB . MET A 149 ? 0.4155 0.4120 0.3289 0.0377 0.0034 0.0632 149 MET A CB 1170 C CG . MET A 149 ? 0.4480 0.4397 0.3641 0.0379 0.0061 0.0630 149 MET A CG 1171 S SD . MET A 149 ? 0.4888 0.4722 0.4033 0.0315 0.0098 0.0588 149 MET A SD 1172 C CE . MET A 149 ? 0.4655 0.4357 0.3701 0.0311 0.0149 0.0618 149 MET A CE 1173 N N . ASN A 150 ? 0.4255 0.4392 0.3508 0.0342 -0.0084 0.0581 150 ASN A N 1174 C CA . ASN A 150 ? 0.4155 0.4343 0.3475 0.0325 -0.0114 0.0579 150 ASN A CA 1175 C C . ASN A 150 ? 0.4429 0.4631 0.3777 0.0363 -0.0079 0.0621 150 ASN A C 1176 O O . ASN A 150 ? 0.4270 0.4467 0.3589 0.0409 -0.0061 0.0658 150 ASN A O 1177 C CB . ASN A 150 ? 0.3959 0.4219 0.3294 0.0313 -0.0183 0.0582 150 ASN A CB 1178 C CG . ASN A 150 ? 0.5355 0.5584 0.4656 0.0280 -0.0224 0.0535 150 ASN A CG 1179 O OD1 . ASN A 150 ? 0.4540 0.4716 0.3820 0.0272 -0.0201 0.0501 150 ASN A OD1 1180 N ND2 . ASN A 150 ? 0.4884 0.5144 0.4170 0.0263 -0.0288 0.0532 150 ASN A ND2 1181 N N . TYR A 151 ? 0.4011 0.4229 0.3406 0.0353 -0.0067 0.0619 151 TYR A N 1182 C CA . TYR A 151 ? 0.3965 0.4207 0.3385 0.0401 -0.0030 0.0658 151 TYR A CA 1183 C C . TYR A 151 ? 0.4506 0.4856 0.4006 0.0379 -0.0057 0.0668 151 TYR A C 1184 O O . TYR A 151 ? 0.4179 0.4525 0.3694 0.0323 -0.0084 0.0637 151 TYR A O 1185 C CB . TYR A 151 ? 0.4028 0.4146 0.3393 0.0416 0.0034 0.0643 151 TYR A CB 1186 C CG . TYR A 151 ? 0.4154 0.4233 0.3520 0.0362 0.0040 0.0598 151 TYR A CG 1187 C CD1 . TYR A 151 ? 0.4268 0.4290 0.3601 0.0316 0.0035 0.0561 151 TYR A CD1 1188 C CD2 . TYR A 151 ? 0.4145 0.4257 0.3546 0.0362 0.0052 0.0599 151 TYR A CD2 1189 C CE1 . TYR A 151 ? 0.3874 0.3876 0.3211 0.0272 0.0036 0.0525 151 TYR A CE1 1190 C CE2 . TYR A 151 ? 0.4163 0.4243 0.3558 0.0315 0.0053 0.0562 151 TYR A CE2 1191 C CZ . TYR A 151 ? 0.4863 0.4887 0.4227 0.0271 0.0043 0.0525 151 TYR A CZ 1192 O OH . TYR A 151 ? 0.4225 0.4233 0.3587 0.0230 0.0040 0.0494 151 TYR A OH 1193 N N . ARG A 152 ? 0.4136 0.4588 0.3687 0.0423 -0.0049 0.0717 152 ARG A N 1194 C CA . ARG A 152 ? 0.4010 0.4588 0.3644 0.0397 -0.0070 0.0738 152 ARG A CA 1195 C C . ARG A 152 ? 0.4516 0.5045 0.4146 0.0377 -0.0034 0.0713 152 ARG A C 1196 O O . ARG A 152 ? 0.4354 0.4784 0.3928 0.0415 0.0024 0.0698 152 ARG A O 1197 C CB . ARG A 152 ? 0.3728 0.4454 0.3425 0.0459 -0.0060 0.0803 152 ARG A CB 1198 C CG . ARG A 152 ? 0.3744 0.4577 0.3470 0.0456 -0.0120 0.0836 152 ARG A CG 1199 C CD . ARG A 152 ? 0.3881 0.4868 0.3667 0.0536 -0.0101 0.0905 152 ARG A CD 1200 N NE . ARG A 152 ? 0.3854 0.4735 0.3567 0.0635 -0.0041 0.0916 152 ARG A NE 1201 C CZ . ARG A 152 ? 0.5756 0.6723 0.5491 0.0735 -0.0008 0.0973 152 ARG A CZ 1202 N NH1 . ARG A 152 ? 0.4077 0.5271 0.3924 0.0752 -0.0025 0.1029 152 ARG A NH1 1203 N NH2 . ARG A 152 ? 0.3982 0.4810 0.3626 0.0821 0.0043 0.0980 152 ARG A NH2 1204 N N . VAL A 153 ? 0.4127 0.4713 0.3804 0.0311 -0.0073 0.0709 153 VAL A N 1205 C CA . VAL A 153 ? 0.3913 0.4465 0.3587 0.0283 -0.0051 0.0690 153 VAL A CA 1206 C C . VAL A 153 ? 0.4520 0.5225 0.4276 0.0266 -0.0058 0.0739 153 VAL A C 1207 O O . VAL A 153 ? 0.4556 0.5393 0.4377 0.0263 -0.0089 0.0783 153 VAL A O 1208 C CB . VAL A 153 ? 0.4044 0.4500 0.3680 0.0220 -0.0089 0.0640 153 VAL A CB 1209 C CG1 . VAL A 153 ? 0.3881 0.4215 0.3444 0.0238 -0.0069 0.0598 153 VAL A CG1 1210 C CG2 . VAL A 153 ? 0.3868 0.4363 0.3530 0.0166 -0.0163 0.0645 153 VAL A CG2 1211 N N . GLY A 154 ? 0.3951 0.4648 0.3703 0.0253 -0.0028 0.0735 154 GLY A N 1212 C CA . GLY A 154 ? 0.3831 0.4674 0.3655 0.0233 -0.0024 0.0784 154 GLY A CA 1213 C C . GLY A 154 ? 0.4198 0.5187 0.4075 0.0309 0.0020 0.0838 154 GLY A C 1214 O O . GLY A 154 ? 0.4020 0.4948 0.3849 0.0393 0.0069 0.0827 154 GLY A O 1215 N N . THR A 155 ? 0.3810 0.4994 0.3788 0.0278 -0.0002 0.0900 155 THR A N 1216 C CA . THR A 155 ? 0.3870 0.5245 0.3922 0.0352 0.0034 0.0964 155 THR A CA 1217 C C . THR A 155 ? 0.4294 0.5661 0.4338 0.0415 0.0022 0.0967 155 THR A C 1218 O O . THR A 155 ? 0.4267 0.5654 0.4296 0.0525 0.0080 0.0986 155 THR A O 1219 C CB . THR A 155 ? 0.3984 0.5591 0.4159 0.0279 -0.0006 0.1034 155 THR A CB 1220 O OG1 . THR A 155 ? 0.4074 0.5665 0.4266 0.0182 -0.0098 0.1027 155 THR A OG1 1221 C CG2 . THR A 155 ? 0.3398 0.5023 0.3578 0.0224 0.0015 0.1044 155 THR A CG2 1222 N N . PHE A 156 ? 0.3814 0.5132 0.3850 0.0352 -0.0051 0.0947 156 PHE A N 1223 C CA . PHE A 156 ? 0.3950 0.5264 0.3970 0.0400 -0.0072 0.0953 156 PHE A CA 1224 C C . PHE A 156 ? 0.4457 0.5603 0.4378 0.0495 -0.0009 0.0921 156 PHE A C 1225 O O . PHE A 156 ? 0.4388 0.5574 0.4307 0.0582 0.0013 0.0955 156 PHE A O 1226 C CB . PHE A 156 ? 0.4129 0.5387 0.4129 0.0310 -0.0159 0.0924 156 PHE A CB 1227 C CG . PHE A 156 ? 0.4187 0.5554 0.4256 0.0200 -0.0224 0.0947 156 PHE A CG 1228 C CD1 . PHE A 156 ? 0.4447 0.6036 0.4616 0.0172 -0.0269 0.1013 156 PHE A CD1 1229 C CD2 . PHE A 156 ? 0.4176 0.5429 0.4210 0.0122 -0.0241 0.0909 156 PHE A CD2 1230 C CE1 . PHE A 156 ? 0.4569 0.6249 0.4796 0.0055 -0.0331 0.1038 156 PHE A CE1 1231 C CE2 . PHE A 156 ? 0.4482 0.5810 0.4566 0.0017 -0.0301 0.0935 156 PHE A CE2 1232 C CZ . PHE A 156 ? 0.4343 0.5878 0.4521 -0.0022 -0.0345 0.0999 156 PHE A CZ 1233 N N . GLY A 157 ? 0.4131 0.5094 0.3969 0.0478 0.0020 0.0863 157 GLY A N 1234 C CA . GLY A 157 ? 0.4127 0.4913 0.3861 0.0546 0.0076 0.0831 157 GLY A CA 1235 C C . GLY A 157 ? 0.4422 0.5163 0.4113 0.0619 0.0155 0.0830 157 GLY A C 1236 O O . GLY A 157 ? 0.4408 0.5016 0.4012 0.0692 0.0202 0.0819 157 GLY A O 1237 N N . PHE A 158 ? 0.3861 0.4691 0.3594 0.0598 0.0170 0.0840 158 PHE A N 1238 C CA . PHE A 158 ? 0.3891 0.4647 0.3554 0.0662 0.0246 0.0825 158 PHE A CA 1239 C C . PHE A 158 ? 0.4628 0.5573 0.4360 0.0713 0.0287 0.0878 158 PHE A C 1240 O O . PHE A 158 ? 0.4803 0.5679 0.4459 0.0779 0.0354 0.0862 158 PHE A O 1241 C CB . PHE A 158 ? 0.4040 0.4636 0.3625 0.0589 0.0243 0.0759 158 PHE A CB 1242 C CG . PHE A 158 ? 0.4140 0.4550 0.3644 0.0562 0.0226 0.0710 158 PHE A CG 1243 C CD1 . PHE A 158 ? 0.4496 0.4742 0.3893 0.0626 0.0275 0.0690 158 PHE A CD1 1244 C CD2 . PHE A 158 ? 0.4141 0.4546 0.3675 0.0479 0.0162 0.0691 158 PHE A CD2 1245 C CE1 . PHE A 158 ? 0.4380 0.4479 0.3713 0.0596 0.0259 0.0659 158 PHE A CE1 1246 C CE2 . PHE A 158 ? 0.4333 0.4605 0.3805 0.0462 0.0151 0.0657 158 PHE A CE2 1247 C CZ . PHE A 158 ? 0.4185 0.4312 0.3562 0.0514 0.0200 0.0644 158 PHE A CZ 1248 N N . LEU A 159 ? 0.4156 0.5341 0.4023 0.0687 0.0249 0.0941 159 LEU A N 1249 C CA . LEU A 159 ? 0.4140 0.5540 0.4084 0.0738 0.0293 0.1003 159 LEU A CA 1250 C C . LEU A 159 ? 0.4879 0.6284 0.4785 0.0895 0.0362 0.1027 159 LEU A C 1251 O O . LEU A 159 ? 0.4747 0.6148 0.4659 0.0941 0.0341 0.1045 159 LEU A O 1252 C CB . LEU A 159 ? 0.4057 0.5725 0.4158 0.0665 0.0233 0.1072 159 LEU A CB 1253 C CG . LEU A 159 ? 0.4646 0.6588 0.4850 0.0712 0.0279 0.1150 159 LEU A CG 1254 C CD1 . LEU A 159 ? 0.4475 0.6579 0.4780 0.0578 0.0228 0.1188 159 LEU A CD1 1255 C CD2 . LEU A 159 ? 0.4873 0.7015 0.5161 0.0812 0.0286 0.1218 159 LEU A CD2 1256 N N . ALA A 160 ? 0.4479 0.5880 0.4332 0.0982 0.0443 0.1028 160 ALA A N 1257 C CA . ALA A 160 ? 0.4632 0.5997 0.4418 0.1146 0.0518 0.1044 160 ALA A CA 1258 C C . ALA A 160 ? 0.5231 0.6801 0.5063 0.1249 0.0592 0.1098 160 ALA A C 1259 O O . ALA A 160 ? 0.4966 0.6595 0.4802 0.1209 0.0617 0.1093 160 ALA A O 1260 C CB . ALA A 160 ? 0.4824 0.5847 0.4416 0.1180 0.0559 0.0962 160 ALA A CB 1261 N N . LEU A 161 ? 0.5073 0.6754 0.4932 0.1393 0.0631 0.1152 161 LEU A N 1262 C CA A LEU A 161 ? 0.5143 0.6998 0.5019 0.1537 0.0720 0.1203 161 LEU A CA 1263 C CA B LEU A 161 ? 0.5219 0.7091 0.5105 0.1538 0.0717 0.1208 161 LEU A CA 1264 C C . LEU A 161 ? 0.5835 0.7439 0.5541 0.1701 0.0784 0.1171 161 LEU A C 1265 O O . LEU A 161 ? 0.5793 0.7432 0.5520 0.1796 0.0780 0.1213 161 LEU A O 1266 C CB A LEU A 161 ? 0.4978 0.7256 0.5068 0.1552 0.0704 0.1311 161 LEU A CB 1267 C CB B LEU A 161 ? 0.5130 0.7404 0.5226 0.1559 0.0692 0.1316 161 LEU A CB 1268 C CG A LEU A 161 ? 0.5253 0.7729 0.5470 0.1383 0.0656 0.1335 161 LEU A CG 1269 C CG B LEU A 161 ? 0.5597 0.8145 0.5857 0.1405 0.0643 0.1361 161 LEU A CG 1270 C CD1 A LEU A 161 ? 0.5134 0.7848 0.5526 0.1275 0.0561 0.1397 161 LEU A CD1 1271 C CD1 B LEU A 161 ? 0.5416 0.7910 0.5727 0.1223 0.0528 0.1339 161 LEU A CD1 1272 C CD2 A LEU A 161 ? 0.4945 0.7604 0.5188 0.1432 0.0736 0.1372 161 LEU A CD2 1273 C CD2 B LEU A 161 ? 0.5939 0.8902 0.6382 0.1462 0.0657 0.1473 161 LEU A CD2 1274 N N . PRO A 162 ? 0.5710 0.6995 0.5222 0.1706 0.0827 0.1084 162 PRO A N 1275 C CA . PRO A 162 ? 0.5940 0.6911 0.5254 0.1835 0.0879 0.1041 162 PRO A CA 1276 C C . PRO A 162 ? 0.6682 0.7759 0.5988 0.2049 0.0956 0.1103 162 PRO A C 1277 O O . PRO A 162 ? 0.6552 0.7857 0.5918 0.2134 0.1015 0.1146 162 PRO A O 1278 C CB . PRO A 162 ? 0.6232 0.6929 0.5363 0.1797 0.0916 0.0949 162 PRO A CB 1279 C CG . PRO A 162 ? 0.6406 0.7205 0.5638 0.1608 0.0848 0.0932 162 PRO A CG 1280 C CD . PRO A 162 ? 0.5682 0.6879 0.5136 0.1597 0.0829 0.1025 162 PRO A CD 1281 N N . GLY A 163 ? 0.6682 0.7614 0.5925 0.2135 0.0951 0.1116 163 GLY A N 1282 C CA . GLY A 163 ? 0.6793 0.7808 0.6024 0.2352 0.1015 0.1181 163 GLY A CA 1283 C C . GLY A 163 ? 0.7211 0.8581 0.6659 0.2364 0.0961 0.1283 163 GLY A C 1284 O O . GLY A 163 ? 0.7488 0.8890 0.6922 0.2529 0.0989 0.1339 163 GLY A O 1285 N N . SER A 164 ? 0.6265 0.7897 0.5906 0.2191 0.0879 0.1308 164 SER A N 1286 C CA . SER A 164 ? 0.6036 0.8006 0.5879 0.2174 0.0812 0.1400 164 SER A CA 1287 C C . SER A 164 ? 0.6631 0.8418 0.6421 0.2147 0.0748 0.1391 164 SER A C 1288 O O . SER A 164 ? 0.6616 0.8060 0.6258 0.2074 0.0734 0.1312 164 SER A O 1289 C CB . SER A 164 ? 0.5860 0.8110 0.5891 0.1985 0.0740 0.1421 164 SER A CB 1290 O OG . SER A 164 ? 0.5672 0.7718 0.5663 0.1803 0.0663 0.1351 164 SER A OG 1291 N N . ARG A 165 ? 0.6392 0.8421 0.6305 0.2201 0.0707 0.1475 165 ARG A N 1292 C CA . ARG A 165 ? 0.6374 0.8262 0.6242 0.2174 0.0643 0.1476 165 ARG A CA 1293 C C . ARG A 165 ? 0.6245 0.8240 0.6227 0.1959 0.0535 0.1460 165 ARG A C 1294 O O . ARG A 165 ? 0.6217 0.7993 0.6117 0.1876 0.0486 0.1416 165 ARG A O 1295 C CB . ARG A 165 ? 0.7010 0.9116 0.6949 0.2338 0.0643 0.1578 165 ARG A CB 1296 C CG . ARG A 165 ? 1.0339 1.2263 1.0123 0.2575 0.0744 0.1593 165 ARG A CG 1297 C CD . ARG A 165 ? 1.3365 1.5582 1.3251 0.2753 0.0750 0.1708 165 ARG A CD 1298 N NE . ARG A 165 ? 1.5827 1.8035 1.5723 0.2725 0.0668 0.1744 165 ARG A NE 1299 C CZ . ARG A 165 ? 1.8608 2.1002 1.8556 0.2878 0.0660 0.1840 165 ARG A CZ 1300 N NH1 . ARG A 165 ? 1.7426 2.0039 1.7428 0.3079 0.0731 0.1912 165 ARG A NH1 1301 N NH2 . ARG A 165 ? 1.7118 1.9488 1.7060 0.2838 0.0582 0.1868 165 ARG A NH2 1302 N N . GLU A 166 ? 0.5534 0.7862 0.5696 0.1868 0.0500 0.1498 166 GLU A N 1303 C CA . GLU A 166 ? 0.5248 0.7715 0.5528 0.1671 0.0395 0.1495 166 GLU A CA 1304 C C . GLU A 166 ? 0.5171 0.7406 0.5380 0.1505 0.0371 0.1401 166 GLU A C 1305 O O . GLU A 166 ? 0.4872 0.7086 0.5106 0.1365 0.0286 0.1378 166 GLU A O 1306 C CB . GLU A 166 ? 0.5328 0.8236 0.5822 0.1635 0.0365 0.1582 166 GLU A CB 1307 C CG . GLU A 166 ? 0.6013 0.9216 0.6608 0.1794 0.0379 0.1687 166 GLU A CG 1308 C CD . GLU A 166 ? 0.9043 1.2370 0.9647 0.1977 0.0492 0.1730 166 GLU A CD 1309 O OE1 . GLU A 166 ? 0.6218 0.9319 0.6699 0.2012 0.0572 0.1668 166 GLU A OE1 1310 O OE2 . GLU A 166 ? 1.0073 1.3731 1.0804 0.2093 0.0502 0.1829 166 GLU A OE2 1311 N N . ALA A 167 ? 0.4776 0.6851 0.4895 0.1524 0.0444 0.1349 167 ALA A N 1312 C CA . ALA A 167 ? 0.4649 0.6506 0.4694 0.1384 0.0427 0.1263 167 ALA A CA 1313 C C . ALA A 167 ? 0.5227 0.6762 0.5081 0.1466 0.0510 0.1195 167 ALA A C 1314 O O . ALA A 167 ? 0.5136 0.6658 0.4958 0.1478 0.0565 0.1173 167 ALA A O 1315 C CB . ALA A 167 ? 0.4584 0.6653 0.4748 0.1275 0.0410 0.1279 167 ALA A CB 1316 N N . PRO A 168 ? 0.4974 0.6243 0.4690 0.1521 0.0520 0.1165 168 PRO A N 1317 C CA . PRO A 168 ? 0.5108 0.6060 0.4630 0.1597 0.0596 0.1105 168 PRO A CA 1318 C C . PRO A 168 ? 0.5651 0.6381 0.5081 0.1467 0.0587 0.1015 168 PRO A C 1319 O O . PRO A 168 ? 0.5911 0.6415 0.5188 0.1514 0.0648 0.0963 168 PRO A O 1320 C CB . PRO A 168 ? 0.5364 0.6122 0.4781 0.1680 0.0599 0.1115 168 PRO A CB 1321 C CG . PRO A 168 ? 0.5677 0.6554 0.5198 0.1573 0.0507 0.1137 168 PRO A CG 1322 C CD . PRO A 168 ? 0.5089 0.6333 0.4808 0.1524 0.0466 0.1190 168 PRO A CD 1323 N N . GLY A 169 ? 0.4702 0.5493 0.4214 0.1311 0.0511 0.0996 169 GLY A N 1324 C CA . GLY A 169 ? 0.4559 0.5169 0.3999 0.1189 0.0493 0.0918 169 GLY A CA 1325 C C . GLY A 169 ? 0.5131 0.5498 0.4471 0.1137 0.0465 0.0873 169 GLY A C 1326 O O . GLY A 169 ? 0.4865 0.5154 0.4156 0.1210 0.0474 0.0898 169 GLY A O 1327 N N . ASN A 170 ? 0.4739 0.5003 0.4054 0.1009 0.0430 0.0814 170 ASN A N 1328 C CA . ASN A 170 ? 0.4849 0.4902 0.4074 0.0944 0.0406 0.0769 170 ASN A CA 1329 C C . ASN A 170 ? 0.5015 0.5122 0.4291 0.0929 0.0356 0.0801 170 ASN A C 1330 O O . ASN A 170 ? 0.5020 0.4954 0.4210 0.0903 0.0351 0.0779 170 ASN A O 1331 C CB . ASN A 170 ? 0.5213 0.4990 0.4259 0.1010 0.0469 0.0737 170 ASN A CB 1332 C CG . ASN A 170 ? 0.5854 0.5536 0.4817 0.1009 0.0511 0.0689 170 ASN A CG 1333 O OD1 . ASN A 170 ? 0.5527 0.5257 0.4526 0.0915 0.0485 0.0656 170 ASN A OD1 1334 N ND2 . ASN A 170 ? 0.5113 0.4644 0.3948 0.1117 0.0578 0.0683 170 ASN A ND2 1335 N N . VAL A 171 ? 0.4462 0.4807 0.3870 0.0932 0.0314 0.0853 171 VAL A N 1336 C CA . VAL A 171 ? 0.4294 0.4698 0.3739 0.0923 0.0263 0.0885 171 VAL A CA 1337 C C . VAL A 171 ? 0.4737 0.5063 0.4167 0.0803 0.0211 0.0836 171 VAL A C 1338 O O . VAL A 171 ? 0.4724 0.4976 0.4107 0.0803 0.0195 0.0841 171 VAL A O 1339 C CB . VAL A 171 ? 0.4528 0.5210 0.4109 0.0956 0.0226 0.0955 171 VAL A CB 1340 C CG1 . VAL A 171 ? 0.4544 0.5312 0.4137 0.1093 0.0288 0.1007 171 VAL A CG1 1341 C CG2 . VAL A 171 ? 0.4184 0.5042 0.3882 0.0849 0.0170 0.0951 171 VAL A CG2 1342 N N . GLY A 172 ? 0.4264 0.4584 0.3713 0.0714 0.0194 0.0790 172 GLY A N 1343 C CA . GLY A 172 ? 0.4058 0.4299 0.3484 0.0618 0.0154 0.0743 172 GLY A CA 1344 C C . GLY A 172 ? 0.4541 0.4571 0.3848 0.0617 0.0189 0.0710 172 GLY A C 1345 O O . GLY A 172 ? 0.4465 0.4447 0.3747 0.0572 0.0164 0.0696 172 GLY A O 1346 N N . LEU A 173 ? 0.4399 0.4298 0.3623 0.0666 0.0249 0.0701 173 LEU A N 1347 C CA . LEU A 173 ? 0.4530 0.4207 0.3626 0.0659 0.0283 0.0676 173 LEU A CA 1348 C C . LEU A 173 ? 0.5045 0.4667 0.4095 0.0723 0.0294 0.0721 173 LEU A C 1349 O O . LEU A 173 ? 0.5151 0.4636 0.4124 0.0687 0.0298 0.0712 173 LEU A O 1350 C CB . LEU A 173 ? 0.4588 0.4119 0.3588 0.0692 0.0340 0.0649 173 LEU A CB 1351 C CG . LEU A 173 ? 0.4930 0.4473 0.3939 0.0622 0.0334 0.0599 173 LEU A CG 1352 C CD1 . LEU A 173 ? 0.4857 0.4279 0.3765 0.0678 0.0391 0.0580 173 LEU A CD1 1353 C CD2 . LEU A 173 ? 0.5073 0.4537 0.4052 0.0513 0.0307 0.0554 173 LEU A CD2 1354 N N . LEU A 174 ? 0.4634 0.4375 0.3734 0.0817 0.0296 0.0775 174 LEU A N 1355 C CA . LEU A 174 ? 0.4738 0.4458 0.3804 0.0889 0.0299 0.0828 174 LEU A CA 1356 C C . LEU A 174 ? 0.4882 0.4700 0.3999 0.0826 0.0238 0.0836 174 LEU A C 1357 O O . LEU A 174 ? 0.5077 0.4809 0.4126 0.0843 0.0241 0.0860 174 LEU A O 1358 C CB . LEU A 174 ? 0.4823 0.4671 0.3936 0.1014 0.0317 0.0888 174 LEU A CB 1359 C CG . LEU A 174 ? 0.5618 0.5343 0.4648 0.1112 0.0389 0.0886 174 LEU A CG 1360 C CD1 . LEU A 174 ? 0.5442 0.5364 0.4552 0.1238 0.0404 0.0951 174 LEU A CD1 1361 C CD2 . LEU A 174 ? 0.6138 0.5563 0.4992 0.1151 0.0435 0.0880 174 LEU A CD2 1362 N N . ASP A 175 ? 0.4298 0.4268 0.3513 0.0751 0.0186 0.0813 175 ASP A N 1363 C CA . ASP A 175 ? 0.4165 0.4202 0.3406 0.0690 0.0130 0.0807 175 ASP A CA 1364 C C . ASP A 175 ? 0.4984 0.4863 0.4140 0.0629 0.0146 0.0769 175 ASP A C 1365 O O . ASP A 175 ? 0.5096 0.4946 0.4207 0.0626 0.0136 0.0785 175 ASP A O 1366 C CB . ASP A 175 ? 0.4078 0.4267 0.3420 0.0622 0.0074 0.0784 175 ASP A CB 1367 C CG . ASP A 175 ? 0.4506 0.4881 0.3946 0.0657 0.0051 0.0826 175 ASP A CG 1368 O OD1 . ASP A 175 ? 0.4750 0.5182 0.4195 0.0741 0.0062 0.0881 175 ASP A OD1 1369 O OD2 . ASP A 175 ? 0.4774 0.5248 0.4287 0.0600 0.0017 0.0811 175 ASP A OD2 1370 N N . GLN A 176 ? 0.4499 0.4285 0.3631 0.0581 0.0172 0.0723 176 GLN A N 1371 C CA . GLN A 176 ? 0.4314 0.3971 0.3376 0.0514 0.0189 0.0691 176 GLN A CA 1372 C C . GLN A 176 ? 0.4836 0.4333 0.3789 0.0549 0.0230 0.0724 176 GLN A C 1373 O O . GLN A 176 ? 0.4865 0.4328 0.3778 0.0513 0.0227 0.0731 176 GLN A O 1374 C CB . GLN A 176 ? 0.4318 0.3910 0.3369 0.0466 0.0208 0.0643 176 GLN A CB 1375 C CG . GLN A 176 ? 0.4421 0.4149 0.3565 0.0422 0.0168 0.0613 176 GLN A CG 1376 C CD . GLN A 176 ? 0.5561 0.5229 0.4685 0.0387 0.0189 0.0574 176 GLN A CD 1377 O OE1 . GLN A 176 ? 0.4648 0.4166 0.3682 0.0380 0.0227 0.0561 176 GLN A OE1 1378 N NE2 . GLN A 176 ? 0.4751 0.4520 0.3944 0.0361 0.0161 0.0556 176 GLN A NE2 1379 N N . ARG A 177 ? 0.4600 0.3999 0.3498 0.0626 0.0270 0.0747 177 ARG A N 1380 C CA . ARG A 177 ? 0.4818 0.4030 0.3593 0.0672 0.0310 0.0783 177 ARG A CA 1381 C C . ARG A 177 ? 0.5249 0.4521 0.4023 0.0712 0.0290 0.0839 177 ARG A C 1382 O O . ARG A 177 ? 0.5291 0.4432 0.3972 0.0693 0.0308 0.0860 177 ARG A O 1383 C CB . ARG A 177 ? 0.4886 0.3994 0.3603 0.0772 0.0355 0.0798 177 ARG A CB 1384 C CG . ARG A 177 ? 0.5740 0.4621 0.4309 0.0833 0.0397 0.0840 177 ARG A CG 1385 C CD . ARG A 177 ? 0.5730 0.4500 0.4230 0.0947 0.0444 0.0850 177 ARG A CD 1386 N NE . ARG A 177 ? 0.6907 0.5510 0.5326 0.0892 0.0472 0.0787 177 ARG A NE 1387 C CZ . ARG A 177 ? 0.7180 0.5689 0.5536 0.0970 0.0513 0.0770 177 ARG A CZ 1388 N NH1 . ARG A 177 ? 0.6099 0.4687 0.4478 0.1115 0.0535 0.0815 177 ARG A NH1 1389 N NH2 . ARG A 177 ? 0.5645 0.3993 0.3912 0.0908 0.0533 0.0709 177 ARG A NH2 1390 N N . LEU A 178 ? 0.4930 0.4400 0.3800 0.0762 0.0250 0.0865 178 LEU A N 1391 C CA . LEU A 178 ? 0.5076 0.4628 0.3946 0.0798 0.0220 0.0916 178 LEU A CA 1392 C C . LEU A 178 ? 0.5552 0.5112 0.4405 0.0709 0.0197 0.0893 178 LEU A C 1393 O O . LEU A 178 ? 0.5731 0.5231 0.4508 0.0721 0.0205 0.0931 178 LEU A O 1394 C CB . LEU A 178 ? 0.4997 0.4778 0.3981 0.0846 0.0172 0.0941 178 LEU A CB 1395 C CG . LEU A 178 ? 0.5545 0.5427 0.4527 0.0895 0.0134 0.0998 178 LEU A CG 1396 C CD1 . LEU A 178 ? 0.5526 0.5268 0.4401 0.0992 0.0177 0.1061 178 LEU A CD1 1397 C CD2 . LEU A 178 ? 0.5579 0.5694 0.4679 0.0925 0.0082 0.1021 178 LEU A CD2 1398 N N . ALA A 179 ? 0.4799 0.4425 0.3712 0.0625 0.0175 0.0835 179 ALA A N 1399 C CA . ALA A 179 ? 0.4748 0.4391 0.3647 0.0551 0.0161 0.0810 179 ALA A CA 1400 C C . ALA A 179 ? 0.5486 0.4959 0.4287 0.0508 0.0212 0.0816 179 ALA A C 1401 O O . ALA A 179 ? 0.5257 0.4728 0.4013 0.0482 0.0215 0.0833 179 ALA A O 1402 C CB . ALA A 179 ? 0.4644 0.4379 0.3624 0.0488 0.0132 0.0750 179 ALA A CB 1403 N N . LEU A 180 ? 0.5044 0.4372 0.3805 0.0497 0.0251 0.0803 180 LEU A N 1404 C CA . LEU A 180 ? 0.5125 0.4270 0.3782 0.0442 0.0295 0.0811 180 LEU A CA 1405 C C . LEU A 180 ? 0.5596 0.4626 0.4150 0.0498 0.0318 0.0879 180 LEU A C 1406 O O . LEU A 180 ? 0.5626 0.4578 0.4110 0.0442 0.0338 0.0902 180 LEU A O 1407 C CB . LEU A 180 ? 0.5168 0.4158 0.3779 0.0422 0.0325 0.0779 180 LEU A CB 1408 C CG . LEU A 180 ? 0.5569 0.4642 0.4260 0.0371 0.0308 0.0716 180 LEU A CG 1409 C CD1 . LEU A 180 ? 0.5616 0.4502 0.4222 0.0330 0.0340 0.0685 180 LEU A CD1 1410 C CD2 . LEU A 180 ? 0.5284 0.4510 0.4054 0.0296 0.0277 0.0688 180 LEU A CD2 1411 N N . GLN A 181 ? 0.5130 0.4160 0.3677 0.0608 0.0315 0.0918 181 GLN A N 1412 C CA . GLN A 181 ? 0.5326 0.4262 0.3779 0.0683 0.0332 0.0990 181 GLN A CA 1413 C C . GLN A 181 ? 0.5767 0.4838 0.4234 0.0670 0.0301 0.1019 181 GLN A C 1414 O O . GLN A 181 ? 0.5702 0.4674 0.4071 0.0668 0.0322 0.1070 181 GLN A O 1415 C CB . GLN A 181 ? 0.5631 0.4587 0.4097 0.0814 0.0332 0.1025 181 GLN A CB 1416 C CG . GLN A 181 ? 0.7418 0.6208 0.5833 0.0849 0.0374 0.1003 181 GLN A CG 1417 C CD . GLN A 181 ? 0.9085 0.7932 0.7529 0.0986 0.0380 0.1034 181 GLN A CD 1418 O OE1 . GLN A 181 ? 0.8271 0.7351 0.6829 0.1032 0.0339 0.1054 181 GLN A OE1 1419 N NE2 . GLN A 181 ? 0.8044 0.6685 0.6385 0.1050 0.0430 0.1035 181 GLN A NE2 1420 N N . TRP A 182 ? 0.5202 0.4488 0.3781 0.0656 0.0251 0.0985 182 TRP A N 1421 C CA . TRP A 182 ? 0.5108 0.4524 0.3692 0.0643 0.0217 0.0996 182 TRP A CA 1422 C C . TRP A 182 ? 0.5665 0.5022 0.4192 0.0555 0.0246 0.0988 182 TRP A C 1423 O O . TRP A 182 ? 0.5692 0.5053 0.4152 0.0561 0.0251 0.1030 182 TRP A O 1424 C CB . TRP A 182 ? 0.4686 0.4301 0.3383 0.0632 0.0157 0.0948 182 TRP A CB 1425 C CG . TRP A 182 ? 0.4751 0.4482 0.3431 0.0630 0.0117 0.0954 182 TRP A CG 1426 C CD1 . TRP A 182 ? 0.5092 0.4924 0.3769 0.0690 0.0071 0.0990 182 TRP A CD1 1427 C CD2 . TRP A 182 ? 0.4646 0.4408 0.3300 0.0569 0.0120 0.0924 182 TRP A CD2 1428 N NE1 . TRP A 182 ? 0.5065 0.4968 0.3702 0.0666 0.0043 0.0977 182 TRP A NE1 1429 C CE2 . TRP A 182 ? 0.5101 0.4961 0.3721 0.0599 0.0076 0.0937 182 TRP A CE2 1430 C CE3 . TRP A 182 ? 0.4708 0.4433 0.3361 0.0494 0.0155 0.0888 182 TRP A CE3 1431 C CZ2 . TRP A 182 ? 0.4843 0.4755 0.3420 0.0566 0.0073 0.0912 182 TRP A CZ2 1432 C CZ3 . TRP A 182 ? 0.4754 0.4551 0.3380 0.0464 0.0153 0.0871 182 TRP A CZ3 1433 C CH2 . TRP A 182 ? 0.4835 0.4718 0.3419 0.0504 0.0116 0.0880 182 TRP A CH2 1434 N N . VAL A 183 ? 0.5308 0.4626 0.3865 0.0475 0.0267 0.0939 183 VAL A N 1435 C CA . VAL A 183 ? 0.5163 0.4457 0.3686 0.0382 0.0296 0.0933 183 VAL A CA 1436 C C . VAL A 183 ? 0.5761 0.4867 0.4156 0.0369 0.0343 0.0998 183 VAL A C 1437 O O . VAL A 183 ? 0.5937 0.5064 0.4281 0.0339 0.0359 0.1036 183 VAL A O 1438 C CB . VAL A 183 ? 0.5464 0.4776 0.4054 0.0302 0.0300 0.0870 183 VAL A CB 1439 C CG1 . VAL A 183 ? 0.5372 0.4656 0.3926 0.0201 0.0335 0.0877 183 VAL A CG1 1440 C CG2 . VAL A 183 ? 0.5181 0.4677 0.3879 0.0311 0.0253 0.0815 183 VAL A CG2 1441 N N . GLN A 184 ? 0.5441 0.4360 0.3775 0.0400 0.0366 0.1016 184 GLN A N 1442 C CA . GLN A 184 ? 0.5753 0.4447 0.3945 0.0393 0.0408 0.1079 184 GLN A CA 1443 C C . GLN A 184 ? 0.6228 0.4945 0.4356 0.0453 0.0407 0.1151 184 GLN A C 1444 O O . GLN A 184 ? 0.6534 0.5167 0.4572 0.0399 0.0437 0.1201 184 GLN A O 1445 C CB . GLN A 184 ? 0.6015 0.4501 0.4141 0.0456 0.0428 0.1082 184 GLN A CB 1446 C CG . GLN A 184 ? 0.6432 0.4809 0.4556 0.0372 0.0443 0.1022 184 GLN A CG 1447 C CD . GLN A 184 ? 0.7963 0.6224 0.6013 0.0236 0.0470 0.1032 184 GLN A CD 1448 O OE1 . GLN A 184 ? 0.8094 0.6129 0.6004 0.0219 0.0502 0.1084 184 GLN A OE1 1449 N NE2 . GLN A 184 ? 0.5946 0.4372 0.4092 0.0137 0.0456 0.0989 184 GLN A NE2 1450 N N . GLU A 185 ? 0.5537 0.4383 0.3713 0.0556 0.0368 0.1161 185 GLU A N 1451 C CA . GLU A 185 ? 0.5583 0.4460 0.3692 0.0620 0.0359 0.1231 185 GLU A CA 1452 C C . GLU A 185 ? 0.6020 0.5071 0.4148 0.0575 0.0341 0.1225 185 GLU A C 1453 O O . GLU A 185 ? 0.6406 0.5428 0.4438 0.0583 0.0356 0.1288 185 GLU A O 1454 C CB . GLU A 185 ? 0.5705 0.4659 0.3850 0.0748 0.0321 0.1253 185 GLU A CB 1455 C CG . GLU A 185 ? 0.6273 0.5254 0.4335 0.0814 0.0308 0.1331 185 GLU A CG 1456 C CD . GLU A 185 ? 0.8577 0.7619 0.6645 0.0945 0.0274 0.1382 185 GLU A CD 1457 O OE1 . GLU A 185 ? 0.7454 0.6470 0.5427 0.1002 0.0271 0.1458 185 GLU A OE1 1458 O OE2 . GLU A 185 ? 0.7927 0.7066 0.6099 0.0990 0.0248 0.1349 185 GLU A OE2 1459 N N . ASN A 186 ? 0.5260 0.4485 0.3499 0.0538 0.0310 0.1152 186 ASN A N 1460 C CA . ASN A 186 ? 0.5215 0.4607 0.3462 0.0523 0.0288 0.1139 186 ASN A CA 1461 C C . ASN A 186 ? 0.5611 0.5071 0.3883 0.0430 0.0313 0.1101 186 ASN A C 1462 O O . ASN A 186 ? 0.5586 0.5157 0.3829 0.0431 0.0309 0.1104 186 ASN A O 1463 C CB . ASN A 186 ? 0.5117 0.4672 0.3452 0.0574 0.0222 0.1091 186 ASN A CB 1464 C CG . ASN A 186 ? 0.6007 0.5559 0.4330 0.0668 0.0190 0.1137 186 ASN A CG 1465 O OD1 . ASN A 186 ? 0.5437 0.4993 0.3679 0.0717 0.0181 0.1196 186 ASN A OD1 1466 N ND2 . ASN A 186 ? 0.4698 0.4245 0.3098 0.0699 0.0176 0.1117 186 ASN A ND2 1467 N N . ILE A 187 ? 0.5439 0.4850 0.3761 0.0357 0.0337 0.1065 187 ILE A N 1468 C CA . ILE A 187 ? 0.5300 0.4819 0.3669 0.0276 0.0355 0.1028 187 ILE A CA 1469 C C . ILE A 187 ? 0.5729 0.5259 0.4018 0.0227 0.0402 0.1085 187 ILE A C 1470 O O . ILE A 187 ? 0.5510 0.5196 0.3832 0.0201 0.0410 0.1061 187 ILE A O 1471 C CB . ILE A 187 ? 0.5463 0.4943 0.3904 0.0204 0.0364 0.0981 187 ILE A CB 1472 C CG1 . ILE A 187 ? 0.5300 0.4962 0.3835 0.0169 0.0352 0.0920 187 ILE A CG1 1473 C CG2 . ILE A 187 ? 0.5501 0.4812 0.3873 0.0122 0.0412 0.1022 187 ILE A CG2 1474 C CD1 . ILE A 187 ? 0.4661 0.4440 0.3259 0.0244 0.0294 0.0864 187 ILE A CD1 1475 N N . ALA A 188 ? 0.5430 0.4799 0.3607 0.0222 0.0434 0.1164 188 ALA A N 1476 C CA . ALA A 188 ? 0.5580 0.4955 0.3672 0.0172 0.0482 0.1231 188 ALA A CA 1477 C C . ALA A 188 ? 0.6414 0.5965 0.4484 0.0229 0.0469 0.1234 188 ALA A C 1478 O O . ALA A 188 ? 0.6475 0.6122 0.4518 0.0183 0.0508 0.1260 188 ALA A O 1479 C CB . ALA A 188 ? 0.5823 0.4973 0.3783 0.0176 0.0509 0.1318 188 ALA A CB 1480 N N . ALA A 189 ? 0.5975 0.5577 0.4055 0.0327 0.0414 0.1204 189 ALA A N 1481 C CA . ALA A 189 ? 0.5921 0.5668 0.3961 0.0385 0.0390 0.1196 189 ALA A CA 1482 C C . ALA A 189 ? 0.6301 0.6219 0.4410 0.0360 0.0391 0.1124 189 ALA A C 1483 O O . ALA A 189 ? 0.6295 0.6323 0.4348 0.0394 0.0391 0.1118 189 ALA A O 1484 C CB . ALA A 189 ? 0.5944 0.5699 0.3986 0.0477 0.0321 0.1179 189 ALA A CB 1485 N N . PHE A 190 ? 0.5721 0.5654 0.3940 0.0311 0.0391 0.1070 190 PHE A N 1486 C CA . PHE A 190 ? 0.5442 0.5527 0.3735 0.0295 0.0392 0.1004 190 PHE A CA 1487 C C . PHE A 190 ? 0.5991 0.6131 0.4314 0.0204 0.0455 0.1030 190 PHE A C 1488 O O . PHE A 190 ? 0.5998 0.6279 0.4392 0.0191 0.0463 0.0984 190 PHE A O 1489 C CB . PHE A 190 ? 0.5388 0.5469 0.3788 0.0305 0.0343 0.0929 190 PHE A CB 1490 C CG . PHE A 190 ? 0.5314 0.5369 0.3704 0.0379 0.0277 0.0904 190 PHE A CG 1491 C CD1 . PHE A 190 ? 0.5314 0.5252 0.3697 0.0399 0.0259 0.0939 190 PHE A CD1 1492 C CD2 . PHE A 190 ? 0.5311 0.5458 0.3695 0.0428 0.0232 0.0848 190 PHE A CD2 1493 C CE1 . PHE A 190 ? 0.5295 0.5245 0.3684 0.0461 0.0197 0.0924 190 PHE A CE1 1494 C CE2 . PHE A 190 ? 0.5449 0.5580 0.3826 0.0477 0.0165 0.0829 190 PHE A CE2 1495 C CZ . PHE A 190 ? 0.5230 0.5281 0.3620 0.0491 0.0148 0.0869 190 PHE A CZ 1496 N N . GLY A 191 ? 0.5613 0.5642 0.3881 0.0143 0.0496 0.1105 191 GLY A N 1497 C CA . GLY A 191 ? 0.5559 0.5623 0.3850 0.0033 0.0552 0.1142 191 GLY A CA 1498 C C . GLY A 191 ? 0.5968 0.5948 0.4338 -0.0046 0.0545 0.1116 191 GLY A C 1499 O O . GLY A 191 ? 0.5960 0.6003 0.4374 -0.0146 0.0578 0.1131 191 GLY A O 1500 N N . GLY A 192 ? 0.5582 0.5438 0.3972 -0.0003 0.0500 0.1075 192 GLY A N 1501 C CA . GLY A 192 ? 0.5418 0.5176 0.3864 -0.0066 0.0490 0.1044 192 GLY A CA 1502 C C . GLY A 192 ? 0.6151 0.5678 0.4502 -0.0125 0.0517 0.1103 192 GLY A C 1503 O O . GLY A 192 ? 0.5822 0.5230 0.4070 -0.0078 0.0526 0.1159 192 GLY A O 1504 N N . ASP A 193 ? 0.5882 0.5331 0.4253 -0.0228 0.0526 0.1092 193 ASP A N 1505 C CA . ASP A 193 ? 0.6096 0.5287 0.4359 -0.0295 0.0549 0.1139 193 ASP A CA 1506 C C . ASP A 193 ? 0.6318 0.5322 0.4561 -0.0234 0.0519 0.1096 193 ASP A C 1507 O O . ASP A 193 ? 0.6004 0.5026 0.4316 -0.0269 0.0499 0.1035 193 ASP A O 1508 C CB . ASP A 193 ? 0.6404 0.5611 0.4688 -0.0455 0.0571 0.1148 193 ASP A CB 1509 C CG . ASP A 193 ? 0.6774 0.5704 0.4923 -0.0552 0.0596 0.1204 193 ASP A CG 1510 O OD1 . ASP A 193 ? 0.6739 0.5432 0.4773 -0.0482 0.0598 0.1229 193 ASP A OD1 1511 O OD2 . ASP A 193 ? 0.7367 0.6316 0.5523 -0.0700 0.0613 0.1224 193 ASP A OD2 1512 N N . PRO A 194 ? 0.5973 0.4804 0.4121 -0.0139 0.0519 0.1131 194 PRO A N 1513 C CA . PRO A 194 ? 0.5850 0.4525 0.3983 -0.0073 0.0498 0.1093 194 PRO A CA 1514 C C . PRO A 194 ? 0.6650 0.5091 0.4707 -0.0166 0.0516 0.1083 194 PRO A C 1515 O O . PRO A 194 ? 0.6382 0.4719 0.4435 -0.0126 0.0502 0.1036 194 PRO A O 1516 C CB . PRO A 194 ? 0.6047 0.4619 0.4093 0.0049 0.0500 0.1149 194 PRO A CB 1517 C CG . PRO A 194 ? 0.6788 0.5322 0.4739 0.0000 0.0534 0.1231 194 PRO A CG 1518 C CD . PRO A 194 ? 0.6260 0.5039 0.4307 -0.0084 0.0538 0.1210 194 PRO A CD 1519 N N . MET A 195 ? 0.6645 0.5009 0.4635 -0.0295 0.0545 0.1126 195 MET A N 1520 C CA . MET A 195 ? 0.6909 0.5044 0.4810 -0.0412 0.0556 0.1117 195 MET A CA 1521 C C . MET A 195 ? 0.6984 0.5277 0.4996 -0.0527 0.0536 0.1055 195 MET A C 1522 O O . MET A 195 ? 0.7117 0.5249 0.5064 -0.0642 0.0537 0.1041 195 MET A O 1523 C CB . MET A 195 ? 0.7564 0.5515 0.5325 -0.0504 0.0593 0.1203 195 MET A CB 1524 C CG . MET A 195 ? 0.8415 0.6116 0.6026 -0.0394 0.0611 0.1260 195 MET A CG 1525 S SD . MET A 195 ? 0.9555 0.6998 0.6982 -0.0515 0.0653 0.1364 195 MET A SD 1526 C CE . MET A 195 ? 0.9338 0.6506 0.6605 -0.0331 0.0665 0.1420 195 MET A CE 1527 N N . SER A 196 ? 0.6232 0.4829 0.4401 -0.0494 0.0515 0.1018 196 SER A N 1528 C CA . SER A 196 ? 0.5912 0.4685 0.4198 -0.0576 0.0492 0.0960 196 SER A CA 1529 C C . SER A 196 ? 0.6143 0.5104 0.4553 -0.0462 0.0459 0.0899 196 SER A C 1530 O O . SER A 196 ? 0.5875 0.5082 0.4387 -0.0433 0.0452 0.0894 196 SER A O 1531 C CB . SER A 196 ? 0.6292 0.5266 0.4638 -0.0694 0.0509 0.0997 196 SER A CB 1532 O OG . SER A 196 ? 0.6986 0.6140 0.5448 -0.0760 0.0483 0.0944 196 SER A OG 1533 N N . VAL A 197 ? 0.5668 0.4498 0.4055 -0.0394 0.0440 0.0855 197 VAL A N 1534 C CA . VAL A 197 ? 0.5279 0.4250 0.3768 -0.0293 0.0408 0.0802 197 VAL A CA 1535 C C . VAL A 197 ? 0.5810 0.4790 0.4344 -0.0343 0.0384 0.0738 197 VAL A C 1536 O O . VAL A 197 ? 0.5945 0.4716 0.4387 -0.0372 0.0389 0.0722 197 VAL A O 1537 C CB . VAL A 197 ? 0.5427 0.4294 0.3872 -0.0157 0.0406 0.0815 197 VAL A CB 1538 C CG1 . VAL A 197 ? 0.5119 0.4112 0.3664 -0.0076 0.0371 0.0762 197 VAL A CG1 1539 C CG2 . VAL A 197 ? 0.5280 0.4186 0.3694 -0.0101 0.0419 0.0876 197 VAL A CG2 1540 N N . THR A 198 ? 0.5252 0.4463 0.3911 -0.0347 0.0357 0.0702 198 THR A N 1541 C CA . THR A 198 ? 0.5072 0.4324 0.3782 -0.0383 0.0330 0.0644 198 THR A CA 1542 C C . THR A 198 ? 0.5143 0.4482 0.3927 -0.0274 0.0302 0.0607 198 THR A C 1543 O O . THR A 198 ? 0.4813 0.4317 0.3673 -0.0217 0.0290 0.0610 198 THR A O 1544 C CB . THR A 198 ? 0.5624 0.5077 0.4420 -0.0484 0.0319 0.0639 198 THR A CB 1545 O OG1 . THR A 198 ? 0.5421 0.4788 0.4146 -0.0598 0.0344 0.0680 198 THR A OG1 1546 C CG2 . THR A 198 ? 0.5284 0.4794 0.4130 -0.0525 0.0285 0.0584 198 THR A CG2 1547 N N . LEU A 199 ? 0.4953 0.4178 0.3705 -0.0246 0.0293 0.0573 199 LEU A N 1548 C CA . LEU A 199 ? 0.4869 0.4187 0.3695 -0.0161 0.0267 0.0542 199 LEU A CA 1549 C C . LEU A 199 ? 0.5128 0.4586 0.4032 -0.0214 0.0237 0.0501 199 LEU A C 1550 O O . LEU A 199 ? 0.5166 0.4576 0.4037 -0.0301 0.0237 0.0484 199 LEU A O 1551 C CB . LEU A 199 ? 0.4983 0.4140 0.3743 -0.0101 0.0276 0.0528 199 LEU A CB 1552 C CG . LEU A 199 ? 0.5607 0.4595 0.4272 -0.0034 0.0308 0.0569 199 LEU A CG 1553 C CD1 . LEU A 199 ? 0.5666 0.4547 0.4289 0.0044 0.0318 0.0551 199 LEU A CD1 1554 C CD2 . LEU A 199 ? 0.5235 0.4328 0.3945 0.0033 0.0302 0.0610 199 LEU A CD2 1555 N N . PHE A 200 ? 0.4500 0.4120 0.3499 -0.0162 0.0209 0.0486 200 PHE A N 1556 C CA . PHE A 200 ? 0.4247 0.3985 0.3313 -0.0191 0.0179 0.0451 200 PHE A CA 1557 C C . PHE A 200 ? 0.4709 0.4498 0.3826 -0.0109 0.0153 0.0434 200 PHE A C 1558 O O . PHE A 200 ? 0.4516 0.4319 0.3645 -0.0043 0.0151 0.0450 200 PHE A O 1559 C CB . PHE A 200 ? 0.4286 0.4197 0.3417 -0.0244 0.0172 0.0456 200 PHE A CB 1560 C CG . PHE A 200 ? 0.4341 0.4402 0.3534 -0.0185 0.0166 0.0467 200 PHE A CG 1561 C CD1 . PHE A 200 ? 0.4371 0.4397 0.3531 -0.0135 0.0184 0.0495 200 PHE A CD1 1562 C CD2 . PHE A 200 ? 0.4525 0.4758 0.3796 -0.0178 0.0144 0.0451 200 PHE A CD2 1563 C CE1 . PHE A 200 ? 0.4243 0.4394 0.3439 -0.0081 0.0178 0.0500 200 PHE A CE1 1564 C CE2 . PHE A 200 ? 0.4578 0.4928 0.3883 -0.0115 0.0142 0.0457 200 PHE A CE2 1565 C CZ . PHE A 200 ? 0.4168 0.4471 0.3431 -0.0070 0.0160 0.0478 200 PHE A CZ 1566 N N . GLY A 201 ? 0.4330 0.4129 0.3463 -0.0121 0.0133 0.0404 201 GLY A N 1567 C CA . GLY A 201 ? 0.4189 0.4030 0.3366 -0.0058 0.0109 0.0393 201 GLY A CA 1568 C C . GLY A 201 ? 0.4488 0.4388 0.3693 -0.0087 0.0083 0.0366 201 GLY A C 1569 O O . GLY A 201 ? 0.4265 0.4151 0.3442 -0.0155 0.0084 0.0351 201 GLY A O 1570 N N . GLU A 202 ? 0.3951 0.3913 0.3204 -0.0042 0.0055 0.0361 202 GLU A N 1571 C CA . GLU A 202 ? 0.3926 0.3940 0.3200 -0.0060 0.0029 0.0342 202 GLU A CA 1572 C C . GLU A 202 ? 0.4530 0.4502 0.3796 -0.0024 0.0025 0.0342 202 GLU A C 1573 O O . GLU A 202 ? 0.4221 0.4187 0.3506 0.0023 0.0025 0.0360 202 GLU A O 1574 C CB . GLU A 202 ? 0.4034 0.4179 0.3371 -0.0049 -0.0003 0.0339 202 GLU A CB 1575 C CG . GLU A 202 ? 0.4240 0.4448 0.3597 -0.0062 -0.0034 0.0326 202 GLU A CG 1576 C CD . GLU A 202 ? 0.5757 0.5952 0.5126 -0.0017 -0.0059 0.0329 202 GLU A CD 1577 O OE1 . GLU A 202 ? 0.4626 0.4783 0.4000 0.0022 -0.0057 0.0341 202 GLU A OE1 1578 O OE2 . GLU A 202 ? 0.4691 0.4918 0.4064 -0.0024 -0.0082 0.0324 202 GLU A OE2 1579 N N . SER A 203 ? 0.4331 0.4280 0.3564 -0.0052 0.0023 0.0326 203 SER A N 1580 C CA . SER A 203 ? 0.4239 0.4163 0.3457 -0.0025 0.0024 0.0328 203 SER A CA 1581 C C . SER A 203 ? 0.4608 0.4450 0.3792 0.0017 0.0063 0.0343 203 SER A C 1582 O O . SER A 203 ? 0.4768 0.4508 0.3881 0.0005 0.0095 0.0333 203 SER A O 1583 C CB . SER A 203 ? 0.4667 0.4678 0.3949 0.0001 -0.0013 0.0341 203 SER A CB 1584 O OG . SER A 203 ? 0.6818 0.6821 0.6082 0.0006 -0.0012 0.0346 203 SER A OG 1585 N N . ALA A 204 ? 0.4060 0.3945 0.3291 0.0066 0.0059 0.0370 204 ALA A N 1586 C CA . ALA A 204 ? 0.4031 0.3871 0.3244 0.0117 0.0094 0.0392 204 ALA A CA 1587 C C . ALA A 204 ? 0.4553 0.4336 0.3743 0.0126 0.0111 0.0400 204 ALA A C 1588 O O . ALA A 204 ? 0.4735 0.4432 0.3870 0.0162 0.0149 0.0410 204 ALA A O 1589 C CB . ALA A 204 ? 0.4013 0.3945 0.3297 0.0152 0.0077 0.0426 204 ALA A CB 1590 N N . GLY A 205 ? 0.4165 0.3988 0.3384 0.0097 0.0087 0.0395 205 GLY A N 1591 C CA . GLY A 205 ? 0.4091 0.3869 0.3283 0.0095 0.0104 0.0405 205 GLY A CA 1592 C C . GLY A 205 ? 0.4525 0.4189 0.3635 0.0049 0.0133 0.0388 205 GLY A C 1593 O O . GLY A 205 ? 0.4777 0.4340 0.3827 0.0061 0.0164 0.0403 205 GLY A O 1594 N N . ALA A 206 ? 0.4290 0.3959 0.3385 -0.0005 0.0122 0.0359 206 ALA A N 1595 C CA . ALA A 206 ? 0.4221 0.3775 0.3226 -0.0067 0.0141 0.0337 206 ALA A CA 1596 C C . ALA A 206 ? 0.4923 0.4328 0.3833 -0.0030 0.0176 0.0330 206 ALA A C 1597 O O . ALA A 206 ? 0.5023 0.4270 0.3832 -0.0046 0.0205 0.0326 206 ALA A O 1598 C CB . ALA A 206 ? 0.4254 0.3884 0.3278 -0.0133 0.0109 0.0310 206 ALA A CB 1599 N N . ALA A 207 ? 0.4491 0.3940 0.3424 0.0026 0.0177 0.0331 207 ALA A N 1600 C CA . ALA A 207 ? 0.4644 0.3979 0.3493 0.0084 0.0218 0.0328 207 ALA A CA 1601 C C . ALA A 207 ? 0.5158 0.4420 0.3984 0.0150 0.0250 0.0361 207 ALA A C 1602 O O . ALA A 207 ? 0.5553 0.4647 0.4265 0.0178 0.0289 0.0355 207 ALA A O 1603 C CB . ALA A 207 ? 0.4660 0.4106 0.3566 0.0130 0.0213 0.0338 207 ALA A CB 1604 N N . SER A 208 ? 0.4518 0.3896 0.3442 0.0176 0.0232 0.0397 208 SER A N 1605 C CA . SER A 208 ? 0.4503 0.3842 0.3417 0.0236 0.0252 0.0435 208 SER A CA 1606 C C . SER A 208 ? 0.5056 0.4233 0.3871 0.0197 0.0273 0.0432 208 SER A C 1607 O O . SER A 208 ? 0.5034 0.4067 0.3759 0.0250 0.0310 0.0448 208 SER A O 1608 C CB . SER A 208 ? 0.4565 0.4060 0.3588 0.0248 0.0216 0.0465 208 SER A CB 1609 O OG . SER A 208 ? 0.4573 0.4202 0.3680 0.0279 0.0195 0.0476 208 SER A OG 1610 N N . VAL A 209 ? 0.4663 0.3865 0.3491 0.0105 0.0249 0.0416 209 VAL A N 1611 C CA . VAL A 209 ? 0.4833 0.3898 0.3573 0.0041 0.0266 0.0417 209 VAL A CA 1612 C C . VAL A 209 ? 0.5569 0.4410 0.4161 0.0032 0.0297 0.0391 209 VAL A C 1613 O O . VAL A 209 ? 0.5704 0.4363 0.4189 0.0047 0.0328 0.0409 209 VAL A O 1614 C CB . VAL A 209 ? 0.5065 0.4237 0.3859 -0.0062 0.0235 0.0403 209 VAL A CB 1615 C CG1 . VAL A 209 ? 0.5075 0.4108 0.3774 -0.0152 0.0251 0.0404 209 VAL A CG1 1616 C CG2 . VAL A 209 ? 0.4838 0.4185 0.3741 -0.0040 0.0214 0.0428 209 VAL A CG2 1617 N N . GLY A 210 ? 0.5315 0.4160 0.3890 0.0014 0.0289 0.0350 210 GLY A N 1618 C CA . GLY A 210 ? 0.5340 0.3974 0.3761 0.0013 0.0316 0.0315 210 GLY A CA 1619 C C . GLY A 210 ? 0.5794 0.4295 0.4136 0.0135 0.0364 0.0334 210 GLY A C 1620 O O . GLY A 210 ? 0.5931 0.4190 0.4113 0.0145 0.0396 0.0321 210 GLY A O 1621 N N . MET A 211 ? 0.5316 0.3973 0.3764 0.0231 0.0368 0.0369 211 MET A N 1622 C CA . MET A 211 ? 0.5503 0.4083 0.3900 0.0358 0.0412 0.0397 211 MET A CA 1623 C C . MET A 211 ? 0.5786 0.4245 0.4129 0.0390 0.0430 0.0439 211 MET A C 1624 O O . MET A 211 ? 0.5881 0.4158 0.4103 0.0474 0.0474 0.0449 211 MET A O 1625 C CB . MET A 211 ? 0.5759 0.4562 0.4290 0.0437 0.0407 0.0425 211 MET A CB 1626 C CG . MET A 211 ? 0.6445 0.5262 0.4945 0.0446 0.0420 0.0387 211 MET A CG 1627 S SD . MET A 211 ? 0.6961 0.6069 0.5642 0.0480 0.0396 0.0422 211 MET A SD 1628 C CE . MET A 211 ? 0.6435 0.5587 0.5112 0.0394 0.0372 0.0372 211 MET A CE 1629 N N . HIS A 212 ? 0.5270 0.3803 0.3679 0.0321 0.0401 0.0461 212 HIS A N 1630 C CA . HIS A 212 ? 0.5332 0.3740 0.3675 0.0334 0.0417 0.0502 212 HIS A CA 1631 C C . HIS A 212 ? 0.6178 0.4305 0.4346 0.0264 0.0439 0.0478 212 HIS A C 1632 O O . HIS A 212 ? 0.6173 0.4093 0.4217 0.0318 0.0472 0.0505 212 HIS A O 1633 C CB . HIS A 212 ? 0.5247 0.3825 0.3703 0.0283 0.0383 0.0532 212 HIS A CB 1634 C CG . HIS A 212 ? 0.5478 0.4282 0.4073 0.0356 0.0360 0.0560 212 HIS A CG 1635 N ND1 . HIS A 212 ? 0.5703 0.4515 0.4297 0.0472 0.0377 0.0605 212 HIS A ND1 1636 C CD2 . HIS A 212 ? 0.5401 0.4420 0.4128 0.0326 0.0319 0.0548 212 HIS A CD2 1637 C CE1 . HIS A 212 ? 0.5342 0.4379 0.4071 0.0495 0.0343 0.0619 212 HIS A CE1 1638 N NE2 . HIS A 212 ? 0.5277 0.4427 0.4081 0.0410 0.0308 0.0584 212 HIS A NE2 1639 N N . ILE A 213 ? 0.6067 0.4174 0.4212 0.0148 0.0418 0.0426 213 ILE A N 1640 C CA . ILE A 213 ? 0.6313 0.4149 0.4282 0.0061 0.0429 0.0395 213 ILE A CA 1641 C C . ILE A 213 ? 0.7099 0.4688 0.4899 0.0162 0.0473 0.0373 213 ILE A C 1642 O O . ILE A 213 ? 0.7461 0.4760 0.5083 0.0150 0.0498 0.0372 213 ILE A O 1643 C CB . ILE A 213 ? 0.6536 0.4443 0.4529 -0.0080 0.0390 0.0344 213 ILE A CB 1644 C CG1 . ILE A 213 ? 0.6117 0.4234 0.4249 -0.0179 0.0355 0.0370 213 ILE A CG1 1645 C CG2 . ILE A 213 ? 0.7022 0.4632 0.4809 -0.0166 0.0397 0.0298 213 ILE A CG2 1646 C CD1 . ILE A 213 ? 0.6070 0.4347 0.4277 -0.0288 0.0312 0.0331 213 ILE A CD1 1647 N N . LEU A 214 ? 0.6624 0.4326 0.4476 0.0263 0.0485 0.0359 214 LEU A N 1648 C CA . LEU A 214 ? 0.6688 0.4201 0.4392 0.0372 0.0531 0.0334 214 LEU A CA 1649 C C . LEU A 214 ? 0.7209 0.4692 0.4900 0.0540 0.0576 0.0388 214 LEU A C 1650 O O . LEU A 214 ? 0.7310 0.4619 0.4863 0.0650 0.0623 0.0372 214 LEU A O 1651 C CB . LEU A 214 ? 0.6462 0.4125 0.4219 0.0386 0.0525 0.0290 214 LEU A CB 1652 C CG . LEU A 214 ? 0.6834 0.4515 0.4581 0.0234 0.0481 0.0234 214 LEU A CG 1653 C CD1 . LEU A 214 ? 0.6488 0.4324 0.4287 0.0263 0.0477 0.0204 214 LEU A CD1 1654 C CD2 . LEU A 214 ? 0.7278 0.4631 0.4802 0.0146 0.0485 0.0187 214 LEU A CD2 1655 N N . SER A 215 ? 0.6643 0.4299 0.4471 0.0569 0.0561 0.0450 215 SER A N 1656 C CA . SER A 215 ? 0.6715 0.4376 0.4544 0.0727 0.0595 0.0510 215 SER A CA 1657 C C . SER A 215 ? 0.7723 0.5200 0.5461 0.0715 0.0601 0.0555 215 SER A C 1658 O O . SER A 215 ? 0.7508 0.5101 0.5337 0.0634 0.0567 0.0583 215 SER A O 1659 C CB . SER A 215 ? 0.6494 0.4506 0.4542 0.0778 0.0570 0.0552 215 SER A CB 1660 O OG . SER A 215 ? 0.6919 0.4964 0.4972 0.0940 0.0603 0.0606 215 SER A OG 1661 N N . LEU A 216 ? 0.8009 0.5185 0.5552 0.0798 0.0646 0.0560 216 LEU A N 1662 C CA . LEU A 216 ? 0.8360 0.5284 0.5765 0.0797 0.0661 0.0604 216 LEU A CA 1663 C C . LEU A 216 ? 0.8161 0.5269 0.5691 0.0827 0.0642 0.0683 216 LEU A C 1664 O O . LEU A 216 ? 0.8024 0.5075 0.5535 0.0715 0.0623 0.0703 216 LEU A O 1665 C CB . LEU A 216 ? 0.8940 0.5539 0.6127 0.0938 0.0718 0.0606 216 LEU A CB 1666 C CG . LEU A 216 ? 1.0332 0.6540 0.7278 0.0846 0.0731 0.0553 216 LEU A CG 1667 C CD1 . LEU A 216 ? 1.0734 0.6749 0.7521 0.0967 0.0778 0.0502 216 LEU A CD1 1668 C CD2 . LEU A 216 ? 1.1118 0.7035 0.7909 0.0823 0.0741 0.0605 216 LEU A CD2 1669 N N . PRO A 217 ? 0.7318 0.4671 0.4984 0.0959 0.0642 0.0729 217 PRO A N 1670 C CA . PRO A 217 ? 0.7001 0.4518 0.4768 0.0973 0.0616 0.0800 217 PRO A CA 1671 C C . PRO A 217 ? 0.7356 0.5069 0.5255 0.0819 0.0565 0.0789 217 PRO A C 1672 O O . PRO A 217 ? 0.7339 0.5101 0.5261 0.0801 0.0549 0.0839 217 PRO A O 1673 C CB . PRO A 217 ? 0.6977 0.4742 0.4871 0.1127 0.0617 0.0840 217 PRO A CB 1674 C CG . PRO A 217 ? 0.7685 0.5314 0.5480 0.1237 0.0668 0.0810 217 PRO A CG 1675 C CD . PRO A 217 ? 0.7203 0.4695 0.4928 0.1102 0.0665 0.0726 217 PRO A CD 1676 N N . SER A 218 ? 0.6771 0.4592 0.4746 0.0714 0.0542 0.0725 218 SER A N 1677 C CA . SER A 218 ? 0.6471 0.4473 0.4563 0.0580 0.0498 0.0713 218 SER A CA 1678 C C . SER A 218 ? 0.7140 0.4957 0.5128 0.0442 0.0500 0.0702 218 SER A C 1679 O O . SER A 218 ? 0.6643 0.4584 0.4702 0.0356 0.0476 0.0718 218 SER A O 1680 C CB . SER A 218 ? 0.6380 0.4579 0.4597 0.0532 0.0470 0.0657 218 SER A CB 1681 O OG . SER A 218 ? 0.6668 0.5093 0.5015 0.0626 0.0456 0.0675 218 SER A OG 1682 N N . ARG A 219 ? 0.7279 0.4802 0.5093 0.0418 0.0529 0.0673 219 ARG A N 1683 C CA A ARG A 219 ? 0.7433 0.4761 0.5134 0.0269 0.0529 0.0660 219 ARG A CA 1684 C CA B ARG A 219 ? 0.7482 0.4822 0.5191 0.0265 0.0527 0.0659 219 ARG A CA 1685 C C . ARG A 219 ? 0.8000 0.5283 0.5671 0.0223 0.0532 0.0726 219 ARG A C 1686 O O . ARG A 219 ? 0.8015 0.5329 0.5702 0.0077 0.0516 0.0724 219 ARG A O 1687 C CB A ARG A 219 ? 0.7565 0.4544 0.5054 0.0272 0.0559 0.0622 219 ARG A CB 1688 C CB B ARG A 219 ? 0.7878 0.4879 0.5381 0.0245 0.0553 0.0615 219 ARG A CB 1689 C CG A ARG A 219 ? 0.7592 0.4613 0.5096 0.0260 0.0550 0.0544 219 ARG A CG 1690 C CG B ARG A 219 ? 0.8793 0.5838 0.6313 0.0157 0.0531 0.0534 219 ARG A CG 1691 C CD A ARG A 219 ? 0.7390 0.4605 0.5010 0.0100 0.0505 0.0505 219 ARG A CD 1692 C CD B ARG A 219 ? 0.9081 0.6351 0.6738 -0.0003 0.0486 0.0517 219 ARG A CD 1693 N NE A ARG A 219 ? 0.7360 0.4389 0.4866 -0.0063 0.0495 0.0495 219 ARG A NE 1694 N NE B ARG A 219 ? 0.9262 0.6359 0.6810 -0.0169 0.0476 0.0510 219 ARG A NE 1695 C CZ A ARG A 219 ? 0.8465 0.5274 0.5821 -0.0143 0.0492 0.0438 219 ARG A CZ 1696 C CZ B ARG A 219 ? 0.9962 0.7110 0.7544 -0.0264 0.0469 0.0559 219 ARG A CZ 1697 N NH1 A ARG A 219 ? 0.6370 0.3115 0.3666 -0.0068 0.0503 0.0383 219 ARG A NH1 1698 N NH1 B ARG A 219 ? 0.5323 0.2664 0.3023 -0.0200 0.0472 0.0615 219 ARG A NH1 1699 N NH2 A ARG A 219 ? 0.7672 0.4330 0.4933 -0.0306 0.0477 0.0437 219 ARG A NH2 1700 N NH2 B ARG A 219 ? 0.9239 0.6244 0.6726 -0.0426 0.0460 0.0555 219 ARG A NH2 1701 N N . SER A 220 ? 0.7624 0.4852 0.5254 0.0349 0.0553 0.0790 220 SER A N 1702 C CA . SER A 220 ? 0.7704 0.4885 0.5292 0.0316 0.0559 0.0862 220 SER A CA 1703 C C . SER A 220 ? 0.7660 0.5178 0.5429 0.0279 0.0526 0.0882 220 SER A C 1704 O O . SER A 220 ? 0.7748 0.5271 0.5496 0.0246 0.0530 0.0939 220 SER A O 1705 C CB . SER A 220 ? 0.8605 0.5623 0.6084 0.0473 0.0588 0.0927 220 SER A CB 1706 O OG . SER A 220 ? 0.9885 0.7122 0.7485 0.0621 0.0579 0.0937 220 SER A OG 1707 N N . LEU A 221 ? 0.6710 0.4497 0.4645 0.0287 0.0495 0.0835 221 LEU A N 1708 C CA . LEU A 221 ? 0.6243 0.4326 0.4332 0.0273 0.0463 0.0847 221 LEU A CA 1709 C C . LEU A 221 ? 0.6356 0.4583 0.4528 0.0132 0.0442 0.0809 221 LEU A C 1710 O O . LEU A 221 ? 0.6028 0.4486 0.4315 0.0124 0.0418 0.0812 221 LEU A O 1711 C CB . LEU A 221 ? 0.6060 0.4347 0.4273 0.0386 0.0438 0.0834 221 LEU A CB 1712 C CG . LEU A 221 ? 0.6650 0.4859 0.4811 0.0540 0.0456 0.0876 221 LEU A CG 1713 C CD1 . LEU A 221 ? 0.6418 0.4852 0.4715 0.0621 0.0430 0.0859 221 LEU A CD1 1714 C CD2 . LEU A 221 ? 0.6715 0.4884 0.4815 0.0592 0.0463 0.0954 221 LEU A CD2 1715 N N . PHE A 222 ? 0.5963 0.4054 0.4071 0.0025 0.0450 0.0773 222 PHE A N 1716 C CA . PHE A 222 ? 0.5741 0.3986 0.3933 -0.0106 0.0429 0.0741 222 PHE A CA 1717 C C . PHE A 222 ? 0.6491 0.4524 0.4564 -0.0234 0.0441 0.0727 222 PHE A C 1718 O O . PHE A 222 ? 0.6514 0.4276 0.4442 -0.0209 0.0461 0.0721 222 PHE A O 1719 C CB . PHE A 222 ? 0.5555 0.4011 0.3885 -0.0085 0.0395 0.0681 222 PHE A CB 1720 C CG . PHE A 222 ? 0.5749 0.4080 0.4029 -0.0068 0.0396 0.0630 222 PHE A CG 1721 C CD1 . PHE A 222 ? 0.5976 0.4227 0.4220 0.0061 0.0410 0.0631 222 PHE A CD1 1722 C CD2 . PHE A 222 ? 0.6014 0.4329 0.4285 -0.0177 0.0382 0.0581 222 PHE A CD2 1723 C CE1 . PHE A 222 ? 0.6093 0.4237 0.4283 0.0085 0.0418 0.0584 222 PHE A CE1 1724 C CE2 . PHE A 222 ? 0.6362 0.4559 0.4570 -0.0158 0.0383 0.0531 222 PHE A CE2 1725 C CZ . PHE A 222 ? 0.6051 0.4164 0.4219 -0.0024 0.0404 0.0532 222 PHE A CZ 1726 N N . HIS A 223 ? 0.6167 0.4326 0.4298 -0.0368 0.0427 0.0721 223 HIS A N 1727 C CA . HIS A 223 ? 0.6398 0.4386 0.4425 -0.0518 0.0431 0.0716 223 HIS A CA 1728 C C . HIS A 223 ? 0.6993 0.5094 0.5085 -0.0615 0.0397 0.0654 223 HIS A C 1729 O O . HIS A 223 ? 0.7254 0.5174 0.5238 -0.0725 0.0392 0.0630 223 HIS A O 1730 C CB . HIS A 223 ? 0.6504 0.4541 0.4527 -0.0610 0.0448 0.0785 223 HIS A CB 1731 C CG . HIS A 223 ? 0.7043 0.5009 0.5013 -0.0504 0.0476 0.0849 223 HIS A CG 1732 N ND1 . HIS A 223 ? 0.7054 0.5252 0.5142 -0.0395 0.0470 0.0864 223 HIS A ND1 1733 C CD2 . HIS A 223 ? 0.7381 0.5056 0.5184 -0.0478 0.0505 0.0897 223 HIS A CD2 1734 C CE1 . HIS A 223 ? 0.7012 0.5074 0.5008 -0.0313 0.0493 0.0922 223 HIS A CE1 1735 N NE2 . HIS A 223 ? 0.7300 0.5048 0.5127 -0.0352 0.0516 0.0945 223 HIS A NE2 1736 N N . ARG A 224 ? 0.6359 0.4753 0.4619 -0.0580 0.0372 0.0629 224 ARG A N 1737 C CA . ARG A 224 ? 0.6296 0.4849 0.4640 -0.0660 0.0337 0.0579 224 ARG A CA 1738 C C . ARG A 224 ? 0.6140 0.4866 0.4599 -0.0547 0.0315 0.0541 224 ARG A C 1739 O O . ARG A 224 ? 0.5904 0.4694 0.4410 -0.0432 0.0324 0.0561 224 ARG A O 1740 C CB . ARG A 224 ? 0.6446 0.5233 0.4893 -0.0769 0.0329 0.0610 224 ARG A CB 1741 C CG . ARG A 224 ? 0.8020 0.6671 0.6369 -0.0931 0.0335 0.0636 224 ARG A CG 1742 C CD . ARG A 224 ? 0.7751 0.6644 0.6200 -0.1029 0.0340 0.0685 224 ARG A CD 1743 N NE . ARG A 224 ? 0.9045 0.7997 0.7513 -0.0955 0.0375 0.0744 224 ARG A NE 1744 C CZ . ARG A 224 ? 1.0419 0.9165 0.8764 -0.0969 0.0409 0.0799 224 ARG A CZ 1745 N NH1 . ARG A 224 ? 0.8935 0.7376 0.7120 -0.1052 0.0414 0.0801 224 ARG A NH1 1746 N NH2 . ARG A 224 ? 0.9301 0.8128 0.7667 -0.0895 0.0437 0.0851 224 ARG A NH2 1747 N N . ALA A 225 ? 0.5546 0.4344 0.4044 -0.0584 0.0284 0.0489 225 ALA A N 1748 C CA . ALA A 225 ? 0.5301 0.4238 0.3892 -0.0489 0.0263 0.0456 225 ALA A CA 1749 C C . ALA A 225 ? 0.5624 0.4770 0.4317 -0.0548 0.0224 0.0424 225 ALA A C 1750 O O . ALA A 225 ? 0.5559 0.4682 0.4216 -0.0662 0.0208 0.0406 225 ALA A O 1751 C CB . ALA A 225 ? 0.5503 0.4241 0.3992 -0.0419 0.0275 0.0425 225 ALA A CB 1752 N N . VAL A 226 ? 0.5124 0.4465 0.3938 -0.0469 0.0206 0.0418 226 VAL A N 1753 C CA . VAL A 226 ? 0.4881 0.4419 0.3792 -0.0493 0.0168 0.0392 226 VAL A CA 1754 C C . VAL A 226 ? 0.5197 0.4727 0.4123 -0.0403 0.0154 0.0363 226 VAL A C 1755 O O . VAL A 226 ? 0.4861 0.4405 0.3818 -0.0307 0.0162 0.0377 226 VAL A O 1756 C CB . VAL A 226 ? 0.5065 0.4845 0.4100 -0.0485 0.0158 0.0416 226 VAL A CB 1757 C CG1 . VAL A 226 ? 0.4889 0.4857 0.4010 -0.0510 0.0119 0.0393 226 VAL A CG1 1758 C CG2 . VAL A 226 ? 0.5057 0.4855 0.4078 -0.0564 0.0183 0.0457 226 VAL A CG2 1759 N N . LEU A 227 ? 0.4885 0.4396 0.3783 -0.0439 0.0132 0.0326 227 LEU A N 1760 C CA . LEU A 227 ? 0.4730 0.4246 0.3638 -0.0365 0.0121 0.0303 227 LEU A CA 1761 C C . LEU A 227 ? 0.5039 0.4746 0.4037 -0.0385 0.0079 0.0290 227 LEU A C 1762 O O . LEU A 227 ? 0.5100 0.4825 0.4072 -0.0464 0.0056 0.0269 227 LEU A O 1763 C CB . LEU A 227 ? 0.4956 0.4268 0.3730 -0.0373 0.0137 0.0273 227 LEU A CB 1764 C CG . LEU A 227 ? 0.5589 0.4698 0.4266 -0.0314 0.0183 0.0286 227 LEU A CG 1765 C CD1 . LEU A 227 ? 0.5663 0.4616 0.4242 -0.0397 0.0200 0.0296 227 LEU A CD1 1766 C CD2 . LEU A 227 ? 0.5736 0.4706 0.4315 -0.0261 0.0201 0.0257 227 LEU A CD2 1767 N N . GLN A 228 ? 0.4421 0.4267 0.3518 -0.0314 0.0065 0.0305 228 GLN A N 1768 C CA . GLN A 228 ? 0.4186 0.4200 0.3361 -0.0313 0.0026 0.0298 228 GLN A CA 1769 C C . GLN A 228 ? 0.4669 0.4662 0.3837 -0.0262 0.0011 0.0284 228 GLN A C 1770 O O . GLN A 228 ? 0.4583 0.4554 0.3770 -0.0190 0.0019 0.0296 228 GLN A O 1771 C CB . GLN A 228 ? 0.4231 0.4392 0.3501 -0.0265 0.0018 0.0320 228 GLN A CB 1772 C CG . GLN A 228 ? 0.4261 0.4467 0.3543 -0.0307 0.0040 0.0342 228 GLN A CG 1773 C CD . GLN A 228 ? 0.5050 0.5376 0.4399 -0.0243 0.0041 0.0360 228 GLN A CD 1774 O OE1 . GLN A 228 ? 0.5062 0.5394 0.4405 -0.0252 0.0068 0.0383 228 GLN A OE1 1775 N NE2 . GLN A 228 ? 0.3967 0.4385 0.3370 -0.0179 0.0013 0.0352 228 GLN A NE2 1776 N N . SER A 229 ? 0.4385 0.4393 0.3524 -0.0304 -0.0013 0.0263 229 SER A N 1777 C CA . SER A 229 ? 0.4340 0.4344 0.3467 -0.0262 -0.0027 0.0255 229 SER A CA 1778 C C . SER A 229 ? 0.4839 0.4714 0.3913 -0.0207 0.0007 0.0256 229 SER A C 1779 O O . SER A 229 ? 0.4684 0.4593 0.3793 -0.0151 0.0002 0.0270 229 SER A O 1780 C CB . SER A 229 ? 0.4297 0.4441 0.3519 -0.0210 -0.0059 0.0273 229 SER A CB 1781 O OG . SER A 229 ? 0.4764 0.5048 0.4043 -0.0240 -0.0087 0.0277 229 SER A OG 1782 N N . GLY A 230 ? 0.4720 0.4450 0.3708 -0.0221 0.0043 0.0246 230 GLY A N 1783 C CA . GLY A 230 ? 0.4696 0.4320 0.3635 -0.0154 0.0080 0.0251 230 GLY A CA 1784 C C . GLY A 230 ? 0.5158 0.4599 0.3977 -0.0173 0.0117 0.0234 230 GLY A C 1785 O O . GLY A 230 ? 0.5153 0.4549 0.3946 -0.0236 0.0116 0.0230 230 GLY A O 1786 N N . THR A 231 ? 0.4706 0.4038 0.3444 -0.0117 0.0152 0.0226 231 THR A N 1787 C CA . THR A 231 ? 0.4967 0.4087 0.3559 -0.0118 0.0191 0.0204 231 THR A CA 1788 C C . THR A 231 ? 0.5497 0.4556 0.4058 -0.0007 0.0239 0.0221 231 THR A C 1789 O O . THR A 231 ? 0.5399 0.4579 0.4029 0.0045 0.0238 0.0238 231 THR A O 1790 C CB . THR A 231 ? 0.5862 0.4885 0.4328 -0.0183 0.0180 0.0154 231 THR A CB 1791 O OG1 . THR A 231 ? 0.5629 0.4730 0.4104 -0.0141 0.0178 0.0148 231 THR A OG1 1792 C CG2 . THR A 231 ? 0.5214 0.4297 0.3697 -0.0300 0.0132 0.0138 231 THR A CG2 1793 N N . PRO A 232 ? 0.5300 0.4170 0.3750 0.0031 0.0282 0.0220 232 PRO A N 1794 C CA . PRO A 232 ? 0.5305 0.4134 0.3724 0.0152 0.0331 0.0239 232 PRO A CA 1795 C C . PRO A 232 ? 0.5924 0.4698 0.4243 0.0184 0.0355 0.0204 232 PRO A C 1796 O O . PRO A 232 ? 0.5707 0.4565 0.4061 0.0274 0.0384 0.0227 232 PRO A O 1797 C CB . PRO A 232 ? 0.5536 0.4159 0.3848 0.0181 0.0366 0.0246 232 PRO A CB 1798 C CG . PRO A 232 ? 0.6108 0.4590 0.4324 0.0060 0.0344 0.0209 232 PRO A CG 1799 C CD . PRO A 232 ? 0.5470 0.4158 0.3817 -0.0033 0.0287 0.0206 232 PRO A CD 1800 N N . ASN A 233 ? 0.5723 0.4363 0.3912 0.0105 0.0342 0.0151 233 ASN A N 1801 C CA . ASN A 233 ? 0.5905 0.4484 0.3976 0.0116 0.0356 0.0109 233 ASN A CA 1802 C C . ASN A 233 ? 0.6152 0.4965 0.4351 0.0085 0.0316 0.0122 233 ASN A C 1803 O O . ASN A 233 ? 0.5967 0.4944 0.4319 0.0047 0.0275 0.0153 233 ASN A O 1804 C CB . ASN A 233 ? 0.6075 0.4435 0.3964 0.0019 0.0340 0.0046 233 ASN A CB 1805 C CG . ASN A 233 ? 0.6708 0.5144 0.4669 -0.0119 0.0277 0.0043 233 ASN A CG 1806 O OD1 . ASN A 233 ? 0.6012 0.4480 0.4056 -0.0146 0.0267 0.0074 233 ASN A OD1 1807 N ND2 . ASN A 233 ? 0.5565 0.4051 0.3498 -0.0205 0.0232 0.0008 233 ASN A ND2 1808 N N . GLY A 234 ? 0.5926 0.4743 0.4051 0.0103 0.0327 0.0099 234 GLY A N 1809 C CA . GLY A 234 ? 0.5634 0.4653 0.3863 0.0078 0.0291 0.0118 234 GLY A CA 1810 C C . GLY A 234 ? 0.5959 0.5103 0.4252 0.0174 0.0329 0.0161 234 GLY A C 1811 O O . GLY A 234 ? 0.5873 0.4978 0.4151 0.0266 0.0383 0.0180 234 GLY A O 1812 N N . PRO A 235 ? 0.5477 0.4785 0.3848 0.0153 0.0300 0.0184 235 PRO A N 1813 C CA . PRO A 235 ? 0.5303 0.4728 0.3714 0.0228 0.0339 0.0226 235 PRO A CA 1814 C C . PRO A 235 ? 0.5355 0.4947 0.3943 0.0264 0.0337 0.0294 235 PRO A C 1815 O O . PRO A 235 ? 0.5144 0.4841 0.3768 0.0321 0.0372 0.0335 235 PRO A O 1816 C CB . PRO A 235 ? 0.5443 0.4942 0.3832 0.0176 0.0305 0.0221 235 PRO A CB 1817 C CG . PRO A 235 ? 0.5683 0.5207 0.4134 0.0084 0.0233 0.0209 235 PRO A CG 1818 C CD . PRO A 235 ? 0.5395 0.4767 0.3786 0.0061 0.0236 0.0169 235 PRO A CD 1819 N N . TRP A 236 ? 0.4727 0.4351 0.3419 0.0227 0.0295 0.0307 236 TRP A N 1820 C CA . TRP A 236 ? 0.4618 0.4390 0.3465 0.0246 0.0281 0.0365 236 TRP A CA 1821 C C . TRP A 236 ? 0.4903 0.4653 0.3796 0.0288 0.0294 0.0382 236 TRP A C 1822 O O . TRP A 236 ? 0.4493 0.4367 0.3495 0.0317 0.0291 0.0431 236 TRP A O 1823 C CB . TRP A 236 ? 0.4375 0.4232 0.3314 0.0173 0.0212 0.0375 236 TRP A CB 1824 C CG . TRP A 236 ? 0.4472 0.4255 0.3392 0.0117 0.0176 0.0335 236 TRP A CG 1825 C CD1 . TRP A 236 ? 0.4866 0.4593 0.3709 0.0061 0.0154 0.0294 236 TRP A CD1 1826 C CD2 . TRP A 236 ? 0.4327 0.4098 0.3304 0.0109 0.0159 0.0338 236 TRP A CD2 1827 N NE1 . TRP A 236 ? 0.4790 0.4489 0.3652 0.0016 0.0126 0.0275 236 TRP A NE1 1828 C CE2 . TRP A 236 ? 0.4866 0.4585 0.3805 0.0047 0.0132 0.0301 236 TRP A CE2 1829 C CE3 . TRP A 236 ? 0.4369 0.4183 0.3426 0.0145 0.0163 0.0372 236 TRP A CE3 1830 C CZ2 . TRP A 236 ? 0.4697 0.4407 0.3676 0.0023 0.0116 0.0299 236 TRP A CZ2 1831 C CZ3 . TRP A 236 ? 0.4434 0.4222 0.3516 0.0126 0.0145 0.0365 236 TRP A CZ3 1832 C CH2 . TRP A 236 ? 0.4568 0.4307 0.3613 0.0067 0.0125 0.0331 236 TRP A CH2 1833 N N . ALA A 237 ? 0.4768 0.4366 0.3582 0.0278 0.0301 0.0345 237 ALA A N 1834 C CA . ALA A 237 ? 0.4836 0.4401 0.3684 0.0307 0.0307 0.0363 237 ALA A CA 1835 C C . ALA A 237 ? 0.5406 0.4961 0.4236 0.0413 0.0364 0.0393 237 ALA A C 1836 O O . ALA A 237 ? 0.5136 0.4726 0.4029 0.0447 0.0362 0.0427 237 ALA A O 1837 C CB . ALA A 237 ? 0.4964 0.4368 0.3726 0.0254 0.0297 0.0321 237 ALA A CB 1838 N N . THR A 238 ? 0.5064 0.4570 0.3799 0.0472 0.0415 0.0381 238 THR A N 1839 C CA . THR A 238 ? 0.5070 0.4583 0.3786 0.0591 0.0476 0.0413 238 THR A CA 1840 C C . THR A 238 ? 0.5575 0.5216 0.4301 0.0643 0.0514 0.0435 238 THR A C 1841 O O . THR A 238 ? 0.5429 0.5085 0.4122 0.0591 0.0503 0.0412 238 THR A O 1842 C CB . THR A 238 ? 0.5725 0.4983 0.4262 0.0645 0.0523 0.0373 238 THR A CB 1843 O OG1 . THR A 238 ? 0.5864 0.4981 0.4250 0.0614 0.0536 0.0313 238 THR A OG1 1844 C CG2 . THR A 238 ? 0.5006 0.4134 0.3525 0.0599 0.0495 0.0363 238 THR A CG2 1845 N N . VAL A 239 ? 0.5231 0.4971 0.3999 0.0750 0.0562 0.0484 239 VAL A N 1846 C CA . VAL A 239 ? 0.5053 0.4924 0.3823 0.0825 0.0618 0.0514 239 VAL A CA 1847 C C . VAL A 239 ? 0.5618 0.5385 0.4281 0.0969 0.0694 0.0514 239 VAL A C 1848 O O . VAL A 239 ? 0.5527 0.5187 0.4169 0.1006 0.0692 0.0515 239 VAL A O 1849 C CB . VAL A 239 ? 0.5174 0.5342 0.4139 0.0810 0.0597 0.0593 239 VAL A CB 1850 C CG1 . VAL A 239 ? 0.4983 0.5218 0.4014 0.0681 0.0531 0.0590 239 VAL A CG1 1851 C CG2 . VAL A 239 ? 0.4911 0.5182 0.4001 0.0838 0.0574 0.0644 239 VAL A CG2 1852 N N . SER A 240 ? 0.5410 0.5199 0.3991 0.1056 0.0762 0.0513 240 SER A N 1853 C CA . SER A 240 ? 0.5632 0.5338 0.4107 0.1218 0.0844 0.0518 240 SER A CA 1854 C C . SER A 240 ? 0.5901 0.5877 0.4562 0.1296 0.0855 0.0610 240 SER A C 1855 O O . SER A 240 ? 0.5613 0.5832 0.4460 0.1216 0.0805 0.0662 240 SER A O 1856 C CB . SER A 240 ? 0.5844 0.5537 0.4189 0.1292 0.0915 0.0494 240 SER A CB 1857 O OG . SER A 240 ? 0.6225 0.6234 0.4729 0.1286 0.0924 0.0563 240 SER A OG 1858 N N . ALA A 241 ? 0.5764 0.5700 0.4370 0.1451 0.0917 0.0632 241 ALA A N 1859 C CA . ALA A 241 ? 0.5653 0.5862 0.4427 0.1543 0.0933 0.0724 241 ALA A CA 1860 C C . ALA A 241 ? 0.6000 0.6540 0.4908 0.1552 0.0960 0.0785 241 ALA A C 1861 O O . ALA A 241 ? 0.5682 0.6510 0.4794 0.1512 0.0923 0.0861 241 ALA A O 1862 C CB . ALA A 241 ? 0.5979 0.6059 0.4635 0.1728 0.1005 0.0732 241 ALA A CB 1863 N N . GLY A 242 ? 0.5718 0.6209 0.4500 0.1598 0.1024 0.0752 242 GLY A N 1864 C CA . GLY A 242 ? 0.5573 0.6353 0.4452 0.1605 0.1060 0.0808 242 GLY A CA 1865 C C . GLY A 242 ? 0.5682 0.6636 0.4721 0.1425 0.0979 0.0837 242 GLY A C 1866 O O . GLY A 242 ? 0.5332 0.6602 0.4554 0.1403 0.0973 0.0922 242 GLY A O 1867 N N . GLU A 243 ? 0.5142 0.5887 0.4112 0.1292 0.0914 0.0769 243 GLU A N 1868 C CA . GLU A 243 ? 0.5009 0.5863 0.4101 0.1127 0.0833 0.0786 243 GLU A CA 1869 C C . GLU A 243 ? 0.5299 0.6303 0.4580 0.1064 0.0761 0.0841 243 GLU A C 1870 O O . GLU A 243 ? 0.4959 0.6186 0.4389 0.0981 0.0723 0.0901 243 GLU A O 1871 C CB . GLU A 243 ? 0.5210 0.5810 0.4171 0.1022 0.0787 0.0701 243 GLU A CB 1872 C CG . GLU A 243 ? 0.5520 0.6212 0.4581 0.0870 0.0710 0.0717 243 GLU A CG 1873 C CD . GLU A 243 ? 0.5866 0.6780 0.4998 0.0839 0.0728 0.0777 243 GLU A CD 1874 O OE1 . GLU A 243 ? 0.5425 0.6404 0.4642 0.0719 0.0662 0.0800 243 GLU A OE1 1875 O OE2 . GLU A 243 ? 0.5634 0.6656 0.4734 0.0937 0.0808 0.0806 243 GLU A OE2 1876 N N . ALA A 244 ? 0.4886 0.5765 0.4149 0.1104 0.0744 0.0823 244 ALA A N 1877 C CA . ALA A 244 ? 0.4631 0.5645 0.4052 0.1060 0.0679 0.0872 244 ALA A CA 1878 C C . ALA A 244 ? 0.5230 0.6577 0.4810 0.1119 0.0704 0.0970 244 ALA A C 1879 O O . ALA A 244 ? 0.5222 0.6768 0.4960 0.1024 0.0641 0.1023 244 ALA A O 1880 C CB . ALA A 244 ? 0.4712 0.5534 0.4061 0.1117 0.0674 0.0842 244 ALA A CB 1881 N N . ARG A 245 ? 0.4767 0.6176 0.4301 0.1273 0.0795 0.0994 245 ARG A N 1882 C CA . ARG A 245 ? 0.4750 0.6501 0.4435 0.1347 0.0830 0.1091 245 ARG A CA 1883 C C . ARG A 245 ? 0.4982 0.6973 0.4781 0.1239 0.0818 0.1142 245 ARG A C 1884 O O . ARG A 245 ? 0.4659 0.6932 0.4641 0.1181 0.0778 0.1223 245 ARG A O 1885 C CB . ARG A 245 ? 0.4844 0.6584 0.4428 0.1551 0.0940 0.1097 245 ARG A CB 1886 C CG . ARG A 245 ? 0.4825 0.6959 0.4570 0.1641 0.0990 0.1204 245 ARG A CG 1887 C CD . ARG A 245 ? 0.5286 0.7403 0.4940 0.1870 0.1090 0.1216 245 ARG A CD 1888 N NE . ARG A 245 ? 0.5661 0.7640 0.5290 0.1941 0.1062 0.1210 245 ARG A NE 1889 C CZ . ARG A 245 ? 0.6259 0.8490 0.6057 0.1971 0.1029 0.1293 245 ARG A CZ 1890 N NH1 . ARG A 245 ? 0.5300 0.7939 0.5311 0.1928 0.1014 0.1387 245 ARG A NH1 1891 N NH2 . ARG A 245 ? 0.5189 0.7270 0.4942 0.2036 0.1006 0.1285 245 ARG A NH2 1892 N N . ARG A 246 ? 0.4704 0.6574 0.4390 0.1202 0.0845 0.1096 246 ARG A N 1893 C CA . ARG A 246 ? 0.4658 0.6716 0.4423 0.1098 0.0836 0.1142 246 ARG A CA 1894 C C . ARG A 246 ? 0.4940 0.7045 0.4831 0.0918 0.0724 0.1163 246 ARG A C 1895 O O . ARG A 246 ? 0.4689 0.7056 0.4732 0.0842 0.0700 0.1246 246 ARG A O 1896 C CB . ARG A 246 ? 0.4837 0.6702 0.4426 0.1091 0.0875 0.1077 246 ARG A CB 1897 C CG . ARG A 246 ? 0.5544 0.7615 0.5192 0.1018 0.0890 0.1136 246 ARG A CG 1898 C CD . ARG A 246 ? 0.6055 0.7925 0.5543 0.0964 0.0893 0.1072 246 ARG A CD 1899 N NE . ARG A 246 ? 0.5918 0.7557 0.5366 0.0843 0.0800 0.1007 246 ARG A NE 1900 C CZ . ARG A 246 ? 0.6818 0.8501 0.6362 0.0698 0.0717 0.1035 246 ARG A CZ 1901 N NH1 . ARG A 246 ? 0.5263 0.6731 0.4753 0.0615 0.0645 0.0972 246 ARG A NH1 1902 N NH2 . ARG A 246 ? 0.5214 0.7156 0.4906 0.0635 0.0706 0.1129 246 ARG A NH2 1903 N N . ARG A 247 ? 0.4377 0.6222 0.4197 0.0851 0.0658 0.1089 247 ARG A N 1904 C CA . ARG A 247 ? 0.4141 0.5977 0.4044 0.0698 0.0555 0.1093 247 ARG A CA 1905 C C . ARG A 247 ? 0.4366 0.6399 0.4427 0.0676 0.0505 0.1157 247 ARG A C 1906 O O . ARG A 247 ? 0.4259 0.6427 0.4430 0.0555 0.0441 0.1204 247 ARG A O 1907 C CB . ARG A 247 ? 0.3990 0.5518 0.3772 0.0657 0.0510 0.0999 247 ARG A CB 1908 C CG . ARG A 247 ? 0.4449 0.5810 0.4092 0.0636 0.0534 0.0942 247 ARG A CG 1909 C CD . ARG A 247 ? 0.4449 0.5549 0.3997 0.0591 0.0486 0.0859 247 ARG A CD 1910 N NE . ARG A 247 ? 0.4812 0.5752 0.4217 0.0582 0.0508 0.0801 247 ARG A NE 1911 C CZ . ARG A 247 ? 0.5929 0.6671 0.5251 0.0527 0.0467 0.0734 247 ARG A CZ 1912 N NH1 . ARG A 247 ? 0.4562 0.5236 0.3926 0.0480 0.0406 0.0715 247 ARG A NH1 1913 N NH2 . ARG A 247 ? 0.4759 0.5381 0.3951 0.0520 0.0486 0.0687 247 ARG A NH2 1914 N N . ALA A 248 ? 0.4021 0.6068 0.4087 0.0790 0.0530 0.1161 248 ALA A N 1915 C CA . ALA A 248 ? 0.3921 0.6168 0.4132 0.0781 0.0480 0.1224 248 ALA A CA 1916 C C . ALA A 248 ? 0.4503 0.7111 0.4871 0.0774 0.0500 0.1327 248 ALA A C 1917 O O . ALA A 248 ? 0.4373 0.7161 0.4875 0.0669 0.0427 0.1383 248 ALA A O 1918 C CB . ALA A 248 ? 0.4045 0.6219 0.4209 0.0923 0.0512 0.1210 248 ALA A CB 1919 N N . THR A 249 ? 0.4327 0.7042 0.4670 0.0884 0.0599 0.1354 249 THR A N 1920 C CA . THR A 249 ? 0.4276 0.7362 0.4766 0.0895 0.0638 0.1459 249 THR A CA 1921 C C . THR A 249 ? 0.4578 0.7758 0.5139 0.0712 0.0584 0.1496 249 THR A C 1922 O O . THR A 249 ? 0.4700 0.8165 0.5425 0.0630 0.0545 0.1584 249 THR A O 1923 C CB . THR A 249 ? 0.5336 0.8467 0.5746 0.1068 0.0765 0.1464 249 THR A CB 1924 O OG1 . THR A 249 ? 0.6018 0.9022 0.6347 0.1233 0.0805 0.1429 249 THR A OG1 1925 C CG2 . THR A 249 ? 0.4660 0.8208 0.5227 0.1094 0.0817 0.1579 249 THR A CG2 1926 N N . LEU A 250 ? 0.3894 0.6830 0.4329 0.0644 0.0578 0.1431 250 LEU A N 1927 C CA . LEU A 250 ? 0.3738 0.6711 0.4212 0.0478 0.0527 0.1462 250 LEU A CA 1928 C C . LEU A 250 ? 0.4152 0.7096 0.4704 0.0331 0.0406 0.1467 250 LEU A C 1929 O O . LEU A 250 ? 0.3976 0.7107 0.4642 0.0205 0.0358 0.1541 250 LEU A O 1930 C CB . LEU A 250 ? 0.3700 0.6402 0.4006 0.0458 0.0546 0.1387 250 LEU A CB 1931 C CG . LEU A 250 ? 0.4185 0.6872 0.4497 0.0298 0.0495 0.1414 250 LEU A CG 1932 C CD1 . LEU A 250 ? 0.4021 0.7038 0.4458 0.0250 0.0529 0.1530 250 LEU A CD1 1933 C CD2 . LEU A 250 ? 0.4365 0.6802 0.4506 0.0308 0.0520 0.1341 250 LEU A CD2 1934 N N . LEU A 251 ? 0.3895 0.6608 0.4378 0.0346 0.0358 0.1390 251 LEU A N 1935 C CA . LEU A 251 ? 0.4019 0.6688 0.4554 0.0222 0.0247 0.1386 251 LEU A CA 1936 C C . LEU A 251 ? 0.4307 0.7288 0.5009 0.0194 0.0214 0.1476 251 LEU A C 1937 O O . LEU A 251 ? 0.4249 0.7316 0.5028 0.0046 0.0135 0.1519 251 LEU A O 1938 C CB . LEU A 251 ? 0.4140 0.6533 0.4573 0.0258 0.0212 0.1293 251 LEU A CB 1939 C CG . LEU A 251 ? 0.4833 0.7181 0.5304 0.0139 0.0101 0.1286 251 LEU A CG 1940 C CD1 . LEU A 251 ? 0.4986 0.7082 0.5361 0.0045 0.0049 0.1224 251 LEU A CD1 1941 C CD2 . LEU A 251 ? 0.5078 0.7421 0.5561 0.0206 0.0079 0.1271 251 LEU A CD2 1942 N N . ALA A 252 ? 0.3989 0.7141 0.4743 0.0336 0.0274 0.1509 252 ALA A N 1943 C CA . ALA A 252 ? 0.3974 0.7467 0.4897 0.0333 0.0250 0.1603 252 ALA A CA 1944 C C . ALA A 252 ? 0.4349 0.8132 0.5400 0.0223 0.0251 0.1702 252 ALA A C 1945 O O . ALA A 252 ? 0.4393 0.8351 0.5562 0.0091 0.0168 0.1761 252 ALA A O 1946 C CB . ALA A 252 ? 0.4067 0.7684 0.5005 0.0532 0.0334 0.1624 252 ALA A CB 1947 N N . ARG A 253 ? 0.3969 0.7788 0.4984 0.0260 0.0339 0.1718 253 ARG A N 1948 C CA . ARG A 253 ? 0.3889 0.7977 0.5014 0.0150 0.0348 0.1817 253 ARG A CA 1949 C C . ARG A 253 ? 0.4412 0.8367 0.5529 -0.0067 0.0240 0.1814 253 ARG A C 1950 O O . ARG A 253 ? 0.4556 0.8741 0.5804 -0.0206 0.0183 0.1901 253 ARG A O 1951 C CB . ARG A 253 ? 0.3998 0.8093 0.5048 0.0232 0.0462 0.1822 253 ARG A CB 1952 C CG . ARG A 253 ? 0.5319 0.9526 0.6350 0.0453 0.0580 0.1824 253 ARG A CG 1953 C CD . ARG A 253 ? 0.6550 1.0946 0.7578 0.0522 0.0694 0.1879 253 ARG A CD 1954 N NE . ARG A 253 ? 0.8725 1.2893 0.9609 0.0461 0.0712 0.1832 253 ARG A NE 1955 C CZ . ARG A 253 ? 1.0156 1.4009 1.0845 0.0553 0.0756 0.1729 253 ARG A CZ 1956 N NH1 . ARG A 253 ? 0.7911 1.1604 0.8485 0.0489 0.0766 0.1701 253 ARG A NH1 1957 N NH2 . ARG A 253 ? 0.7258 1.0948 0.7860 0.0705 0.0786 0.1656 253 ARG A NH2 1958 N N . LEU A 254 ? 0.3785 0.7366 0.4746 -0.0094 0.0207 0.1715 254 LEU A N 1959 C CA . LEU A 254 ? 0.3756 0.7149 0.4674 -0.0272 0.0110 0.1698 254 LEU A CA 1960 C C . LEU A 254 ? 0.4644 0.8068 0.5633 -0.0388 -0.0006 0.1711 254 LEU A C 1961 O O . LEU A 254 ? 0.4638 0.8000 0.5626 -0.0555 -0.0086 0.1732 254 LEU A O 1962 C CB . LEU A 254 ? 0.3663 0.6668 0.4399 -0.0245 0.0108 0.1588 254 LEU A CB 1963 C CG . LEU A 254 ? 0.4168 0.7108 0.4809 -0.0177 0.0201 0.1574 254 LEU A CG 1964 C CD1 . LEU A 254 ? 0.4052 0.6633 0.4523 -0.0139 0.0194 0.1462 254 LEU A CD1 1965 C CD2 . LEU A 254 ? 0.4219 0.7287 0.4896 -0.0298 0.0205 0.1660 254 LEU A CD2 1966 N N . VAL A 255 ? 0.4444 0.7963 0.5487 -0.0303 -0.0016 0.1703 255 VAL A N 1967 C CA . VAL A 255 ? 0.4396 0.7956 0.5497 -0.0405 -0.0127 0.1713 255 VAL A CA 1968 C C . VAL A 255 ? 0.5698 0.9686 0.6991 -0.0425 -0.0135 0.1827 255 VAL A C 1969 O O . VAL A 255 ? 0.6008 1.0074 0.7359 -0.0506 -0.0228 0.1843 255 VAL A O 1970 C CB . VAL A 255 ? 0.4430 0.7746 0.5433 -0.0329 -0.0163 0.1616 255 VAL A CB 1971 C CG1 . VAL A 255 ? 0.4273 0.7202 0.5108 -0.0352 -0.0179 0.1517 255 VAL A CG1 1972 C CG2 . VAL A 255 ? 0.4246 0.7639 0.5257 -0.0130 -0.0079 0.1606 255 VAL A CG2 1973 N N . GLY A 256 ? 0.5457 0.9724 0.6843 -0.0358 -0.0042 0.1905 256 GLY A N 1974 C CA . GLY A 256 ? 0.5530 1.0244 0.7112 -0.0372 -0.0040 0.2024 256 GLY A CA 1975 C C . GLY A 256 ? 0.6067 1.0987 0.7719 -0.0177 0.0017 0.2043 256 GLY A C 1976 O O . GLY A 256 ? 0.6140 1.1424 0.7958 -0.0191 -0.0008 0.2135 256 GLY A O 1977 N N . CYS A 257 ? 0.5467 1.0162 0.6992 0.0005 0.0095 0.1962 257 CYS A N 1978 C CA . CYS A 257 ? 0.5381 1.0196 0.6931 0.0211 0.0159 0.1970 257 CYS A CA 1979 C C . CYS A 257 ? 0.7026 1.1956 0.8567 0.0374 0.0301 0.1997 257 CYS A C 1980 O O . CYS A 257 ? 0.6953 1.1598 0.8336 0.0442 0.0364 0.1919 257 CYS A O 1981 C CB . CYS A 257 ? 0.5106 0.9566 0.6508 0.0286 0.0131 0.1861 257 CYS A CB 1982 S SG . CYS A 257 ? 0.5398 0.9789 0.6819 0.0123 -0.0029 0.1842 257 CYS A SG 1983 N N . PRO A 258 ? 0.7719 1.3087 0.9430 0.0421 0.0349 0.2114 258 PRO A N 1984 C CA . PRO A 258 ? 0.8029 1.3532 0.9729 0.0563 0.0487 0.2147 258 PRO A CA 1985 C C . PRO A 258 ? 0.9181 1.4748 1.0854 0.0832 0.0588 0.2145 258 PRO A C 1986 O O . PRO A 258 ? 0.9164 1.4538 1.0770 0.0907 0.0553 0.2088 258 PRO A O 1987 C CB . PRO A 258 ? 0.8244 1.4190 1.0145 0.0432 0.0478 0.2281 258 PRO A CB 1988 C CG . PRO A 258 ? 0.8706 1.4866 1.0762 0.0319 0.0355 0.2337 258 PRO A CG 1989 C CD . PRO A 258 ? 0.8030 1.3811 0.9952 0.0334 0.0279 0.2225 258 PRO A CD 1990 N N . PRO A 259 ? 0.9225 1.5031 1.0930 0.0988 0.0715 0.2203 259 PRO A N 1991 C CA . PRO A 259 ? 1.0119 1.5938 1.1773 0.1254 0.0808 0.2195 259 PRO A CA 1992 C C . PRO A 259 ? 1.4852 2.1108 1.6709 0.1335 0.0794 0.2308 259 PRO A C 1993 O O . PRO A 259 ? 1.0143 1.6851 1.2179 0.1339 0.0834 0.2425 259 PRO A O 1994 C CB . PRO A 259 ? 1.0350 1.6181 1.1912 0.1384 0.0949 0.2192 259 PRO A CB 1995 C CG . PRO A 259 ? 1.0601 1.6646 1.2266 0.1193 0.0935 0.2259 259 PRO A CG 1996 C CD . PRO A 259 ? 0.9724 1.5788 1.1499 0.0942 0.0785 0.2279 259 PRO A CD 1997 N N . ASN A 265 ? 0.6710 1.1769 0.7863 0.2129 0.1023 0.2021 265 ASN A N 1998 C CA . ASN A 265 ? 0.6649 1.1581 0.7776 0.2196 0.0966 0.2010 265 ASN A CA 1999 C C . ASN A 265 ? 0.6792 1.1404 0.7853 0.1987 0.0848 0.1926 265 ASN A C 2000 O O . ASN A 265 ? 0.6627 1.1385 0.7816 0.1776 0.0756 0.1949 265 ASN A O 2001 C CB . ASN A 265 ? 0.6971 1.2399 0.8333 0.2255 0.0938 0.2144 265 ASN A CB 2002 C CG . ASN A 265 ? 1.0104 1.5493 1.1485 0.2283 0.0854 0.2157 265 ASN A CG 2003 O OD1 . ASN A 265 ? 0.8898 1.4150 1.0283 0.2103 0.0740 0.2120 265 ASN A OD1 2004 N ND2 . ASN A 265 ? 0.9443 1.5019 1.0862 0.2505 0.0904 0.2229 265 ASN A ND2 2005 N N . ASP A 266 ? 0.6103 1.0268 0.6952 0.2049 0.0856 0.1827 266 ASP A N 2006 C CA . ASP A 266 ? 0.5763 0.9600 0.6525 0.1883 0.0762 0.1740 266 ASP A CA 2007 C C . ASP A 266 ? 0.5815 0.9808 0.6710 0.1782 0.0645 0.1786 266 ASP A C 2008 O O . ASP A 266 ? 0.5480 0.9396 0.6397 0.1586 0.0553 0.1751 266 ASP A O 2009 C CB . ASP A 266 ? 0.6000 0.9364 0.6515 0.1984 0.0804 0.1639 266 ASP A CB 2010 C CG . ASP A 266 ? 0.6165 0.9268 0.6507 0.2010 0.0886 0.1559 266 ASP A CG 2011 O OD1 . ASP A 266 ? 0.6118 0.9379 0.6523 0.1931 0.0905 0.1573 266 ASP A OD1 2012 O OD2 . ASP A 266 ? 0.6573 0.9304 0.6708 0.2098 0.0926 0.1482 266 ASP A OD2 2013 N N . THR A 267 ? 0.5440 0.9659 0.6420 0.1919 0.0646 0.1865 267 THR A N 2014 C CA . THR A 267 ? 0.5283 0.9659 0.6377 0.1840 0.0534 0.1912 267 THR A CA 2015 C C . THR A 267 ? 0.5281 0.9950 0.6558 0.1618 0.0441 0.1958 267 THR A C 2016 O O . THR A 267 ? 0.5016 0.9559 0.6282 0.1450 0.0338 0.1917 267 THR A O 2017 C CB . THR A 267 ? 0.6353 1.0957 0.7509 0.2047 0.0562 0.2001 267 THR A CB 2018 O OG1 . THR A 267 ? 0.6661 1.0907 0.7609 0.2233 0.0640 0.1945 267 THR A OG1 2019 C CG2 . THR A 267 ? 0.5844 1.0619 0.7107 0.1972 0.0442 0.2051 267 THR A CG2 2020 N N . GLU A 268 ? 0.4806 0.9838 0.6234 0.1617 0.0482 0.2038 268 GLU A N 2021 C CA . GLU A 268 ? 0.4699 1.0034 0.6305 0.1405 0.0405 0.2097 268 GLU A CA 2022 C C . GLU A 268 ? 0.5049 1.0092 0.6564 0.1203 0.0358 0.2010 268 GLU A C 2023 O O . GLU A 268 ? 0.5137 1.0218 0.6715 0.1008 0.0247 0.2013 268 GLU A O 2024 C CB . GLU A 268 ? 0.4901 1.0663 0.6666 0.1463 0.0484 0.2201 268 GLU A CB 2025 C CG . GLU A 268 ? 0.6195 1.2349 0.8100 0.1644 0.0517 0.2311 268 GLU A CG 2026 C CD . GLU A 268 ? 0.9988 1.6632 1.2082 0.1681 0.0584 0.2428 268 GLU A CD 2027 O OE1 . GLU A 268 ? 0.8802 1.5460 1.0897 0.1589 0.0627 0.2423 268 GLU A OE1 2028 O OE2 . GLU A 268 ? 1.0101 1.7129 1.2342 0.1810 0.0596 0.2532 268 GLU A OE2 2029 N N . LEU A 269 ? 0.4486 0.9235 0.5844 0.1252 0.0441 0.1932 269 LEU A N 2030 C CA . LEU A 269 ? 0.4322 0.8785 0.5581 0.1087 0.0408 0.1850 269 LEU A CA 2031 C C . LEU A 269 ? 0.4582 0.8740 0.5747 0.0992 0.0310 0.1770 269 LEU A C 2032 O O . LEU A 269 ? 0.4259 0.8379 0.5450 0.0803 0.0219 0.1754 269 LEU A O 2033 C CB . LEU A 269 ? 0.4407 0.8619 0.5503 0.1191 0.0520 0.1782 269 LEU A CB 2034 C CG . LEU A 269 ? 0.4875 0.8847 0.5877 0.1041 0.0504 0.1712 269 LEU A CG 2035 C CD1 . LEU A 269 ? 0.4930 0.8845 0.5840 0.1138 0.0618 0.1693 269 LEU A CD1 2036 C CD2 . LEU A 269 ? 0.5285 0.8842 0.6128 0.0996 0.0454 0.1602 269 LEU A CD2 2037 N N . ILE A 270 ? 0.4383 0.8326 0.5432 0.1127 0.0330 0.1725 270 ILE A N 2038 C CA . ILE A 270 ? 0.4272 0.7932 0.5222 0.1061 0.0252 0.1653 270 ILE A CA 2039 C C . ILE A 270 ? 0.4330 0.8204 0.5405 0.0948 0.0135 0.1705 270 ILE A C 2040 O O . ILE A 270 ? 0.4213 0.7928 0.5248 0.0796 0.0049 0.1653 270 ILE A O 2041 C CB . ILE A 270 ? 0.4735 0.8121 0.5528 0.1232 0.0309 0.1604 270 ILE A CB 2042 C CG1 . ILE A 270 ? 0.4884 0.8024 0.5529 0.1318 0.0415 0.1541 270 ILE A CG1 2043 C CG2 . ILE A 270 ? 0.4334 0.7453 0.5031 0.1153 0.0230 0.1537 270 ILE A CG2 2044 C CD1 . ILE A 270 ? 0.6017 0.8986 0.6531 0.1531 0.0503 0.1526 270 ILE A CD1 2045 N N . ALA A 271 ? 0.3779 0.8020 0.5003 0.1019 0.0132 0.1807 271 ALA A N 2046 C CA . ALA A 271 ? 0.3867 0.8349 0.5217 0.0908 0.0016 0.1863 271 ALA A CA 2047 C C . ALA A 271 ? 0.4496 0.9057 0.5919 0.0677 -0.0063 0.1868 271 ALA A C 2048 O O . ALA A 271 ? 0.4336 0.8820 0.5742 0.0536 -0.0172 0.1840 271 ALA A O 2049 C CB . ALA A 271 ? 0.3999 0.8903 0.5510 0.1031 0.0035 0.1981 271 ALA A CB 2050 N N . CYS A 272 ? 0.4329 0.9014 0.5814 0.0640 -0.0007 0.1898 272 CYS A N 2051 C CA . CYS A 272 ? 0.4501 0.9230 0.6038 0.0421 -0.0074 0.1907 272 CYS A CA 2052 C C . CYS A 272 ? 0.4649 0.8938 0.6013 0.0319 -0.0114 0.1790 272 CYS A C 2053 O O . CYS A 272 ? 0.4608 0.8840 0.5970 0.0145 -0.0218 0.1774 272 CYS A O 2054 C CB . CYS A 272 ? 0.4755 0.9718 0.6388 0.0419 0.0005 0.1974 272 CYS A CB 2055 S SG . CYS A 272 ? 0.5385 1.0358 0.7059 0.0150 -0.0068 0.1989 272 CYS A SG 2056 N N . LEU A 273 ? 0.3947 0.7927 0.5159 0.0429 -0.0035 0.1708 273 LEU A N 2057 C CA . LEU A 273 ? 0.3825 0.7413 0.4879 0.0350 -0.0068 0.1601 273 LEU A CA 2058 C C . LEU A 273 ? 0.4211 0.7665 0.5213 0.0298 -0.0165 0.1559 273 LEU A C 2059 O O . LEU A 273 ? 0.4144 0.7395 0.5074 0.0169 -0.0234 0.1501 273 LEU A O 2060 C CB . LEU A 273 ? 0.3830 0.7140 0.4738 0.0482 0.0030 0.1528 273 LEU A CB 2061 C CG . LEU A 273 ? 0.4362 0.7653 0.5245 0.0494 0.0113 0.1524 273 LEU A CG 2062 C CD1 . LEU A 273 ? 0.4182 0.7205 0.4910 0.0634 0.0200 0.1452 273 LEU A CD1 2063 C CD2 . LEU A 273 ? 0.4401 0.7571 0.5258 0.0317 0.0058 0.1495 273 LEU A CD2 2064 N N . ARG A 274 ? 0.3716 0.7294 0.4752 0.0403 -0.0172 0.1593 274 ARG A N 2065 C CA . ARG A 274 ? 0.3740 0.7224 0.4726 0.0367 -0.0261 0.1564 274 ARG A CA 2066 C C . ARG A 274 ? 0.4152 0.7795 0.5219 0.0185 -0.0385 0.1596 274 ARG A C 2067 O O . ARG A 274 ? 0.4093 0.7583 0.5080 0.0115 -0.0467 0.1547 274 ARG A O 2068 C CB . ARG A 274 ? 0.3721 0.7289 0.4710 0.0536 -0.0233 0.1598 274 ARG A CB 2069 C CG . ARG A 274 ? 0.4084 0.7360 0.4926 0.0686 -0.0139 0.1537 274 ARG A CG 2070 C CD . ARG A 274 ? 0.4825 0.8093 0.5627 0.0825 -0.0132 0.1557 274 ARG A CD 2071 N NE . ARG A 274 ? 0.5785 0.9426 0.6736 0.0903 -0.0134 0.1664 274 ARG A NE 2072 C CZ . ARG A 274 ? 0.6381 1.0138 0.7360 0.1079 -0.0042 0.1716 274 ARG A CZ 2073 N NH1 . ARG A 274 ? 0.3957 0.7455 0.4808 0.1193 0.0058 0.1665 274 ARG A NH1 2074 N NH2 . ARG A 274 ? 0.4394 0.8525 0.5524 0.1146 -0.0051 0.1820 274 ARG A NH2 2075 N N . THR A 275 ? 0.3929 0.7867 0.5142 0.0102 -0.0398 0.1677 275 THR A N 2076 C CA . THR A 275 ? 0.3970 0.8059 0.5257 -0.0091 -0.0519 0.1713 275 THR A CA 2077 C C . THR A 275 ? 0.4465 0.8299 0.5664 -0.0255 -0.0561 0.1652 275 THR A C 2078 O O . THR A 275 ? 0.4597 0.8443 0.5801 -0.0424 -0.0669 0.1657 275 THR A O 2079 C CB . THR A 275 ? 0.4489 0.9029 0.5982 -0.0124 -0.0518 0.1838 275 THR A CB 2080 O OG1 . THR A 275 ? 0.4395 0.8963 0.5923 -0.0147 -0.0442 0.1858 275 THR A OG1 2081 C CG2 . THR A 275 ? 0.3796 0.8624 0.5390 0.0055 -0.0470 0.1911 275 THR A CG2 2082 N N . ARG A 276 ? 0.4013 0.7617 0.5124 -0.0206 -0.0479 0.1598 276 ARG A N 2083 C CA . ARG A 276 ? 0.3946 0.7314 0.4972 -0.0338 -0.0508 0.1547 276 ARG A CA 2084 C C . ARG A 276 ? 0.4772 0.7803 0.5639 -0.0388 -0.0578 0.1448 276 ARG A C 2085 O O . ARG A 276 ? 0.4749 0.7613 0.5526 -0.0273 -0.0547 0.1388 276 ARG A O 2086 C CB . ARG A 276 ? 0.4133 0.7400 0.5123 -0.0266 -0.0399 0.1530 276 ARG A CB 2087 C CG . ARG A 276 ? 0.4982 0.8571 0.6116 -0.0254 -0.0334 0.1630 276 ARG A CG 2088 C CD . ARG A 276 ? 0.6200 0.9987 0.7438 -0.0445 -0.0414 0.1704 276 ARG A CD 2089 N NE . ARG A 276 ? 0.8174 1.2285 0.9553 -0.0438 -0.0347 0.1805 276 ARG A NE 2090 C CZ . ARG A 276 ? 0.9721 1.4231 1.1269 -0.0420 -0.0345 0.1905 276 ARG A CZ 2091 N NH1 . ARG A 276 ? 0.8064 1.2696 0.9662 -0.0408 -0.0413 0.1919 276 ARG A NH1 2092 N NH2 . ARG A 276 ? 0.7814 1.2618 0.9485 -0.0411 -0.0275 0.1996 276 ARG A NH2 2093 N N . PRO A 277 ? 0.4677 0.7584 0.5496 -0.0556 -0.0666 0.1428 277 PRO A N 2094 C CA . PRO A 277 ? 0.4724 0.7292 0.5376 -0.0588 -0.0722 0.1328 277 PRO A CA 2095 C C . PRO A 277 ? 0.5135 0.7445 0.5680 -0.0480 -0.0637 0.1255 277 PRO A C 2096 O O . PRO A 277 ? 0.5006 0.7339 0.5582 -0.0451 -0.0563 0.1275 277 PRO A O 2097 C CB . PRO A 277 ? 0.5060 0.7549 0.5684 -0.0777 -0.0811 0.1334 277 PRO A CB 2098 C CG . PRO A 277 ? 0.5565 0.8413 0.6360 -0.0868 -0.0837 0.1446 277 PRO A CG 2099 C CD . PRO A 277 ? 0.4863 0.7918 0.5765 -0.0723 -0.0716 0.1496 277 PRO A CD 2100 N N . ALA A 278 ? 0.4709 0.6790 0.5130 -0.0420 -0.0645 0.1173 278 ALA A N 2101 C CA . ALA A 278 ? 0.4525 0.6374 0.4848 -0.0327 -0.0571 0.1104 278 ALA A CA 2102 C C . ALA A 278 ? 0.4881 0.6577 0.5157 -0.0394 -0.0562 0.1083 278 ALA A C 2103 O O . ALA A 278 ? 0.4489 0.6136 0.4754 -0.0325 -0.0481 0.1071 278 ALA A O 2104 C CB . ALA A 278 ? 0.4537 0.6180 0.4736 -0.0284 -0.0597 0.1027 278 ALA A CB 2105 N N . GLN A 279 ? 0.4701 0.6318 0.4942 -0.0530 -0.0647 0.1080 279 GLN A N 2106 C CA . GLN A 279 ? 0.4759 0.6217 0.4945 -0.0598 -0.0649 0.1067 279 GLN A CA 2107 C C . GLN A 279 ? 0.5156 0.6792 0.5443 -0.0617 -0.0592 0.1142 279 GLN A C 2108 O O . GLN A 279 ? 0.5086 0.6594 0.5323 -0.0611 -0.0554 0.1125 279 GLN A O 2109 C CB . GLN A 279 ? 0.4969 0.6265 0.5069 -0.0734 -0.0756 0.1045 279 GLN A CB 2110 C CG . GLN A 279 ? 0.5414 0.6470 0.5414 -0.0779 -0.0761 0.1016 279 GLN A CG 2111 C CD . GLN A 279 ? 0.6983 0.7849 0.6893 -0.0662 -0.0703 0.0942 279 GLN A CD 2112 O OE1 . GLN A 279 ? 0.6147 0.6907 0.5987 -0.0598 -0.0711 0.0879 279 GLN A OE1 2113 N NE2 . GLN A 279 ? 0.6192 0.7014 0.6098 -0.0638 -0.0647 0.0950 279 GLN A NE2 2114 N N . ASP A 280 ? 0.4701 0.6639 0.5129 -0.0631 -0.0583 0.1226 280 ASP A N 2115 C CA . ASP A 280 ? 0.4649 0.6787 0.5177 -0.0635 -0.0518 0.1302 280 ASP A CA 2116 C C . ASP A 280 ? 0.4764 0.6865 0.5266 -0.0484 -0.0406 0.1274 280 ASP A C 2117 O O . ASP A 280 ? 0.4817 0.6912 0.5314 -0.0488 -0.0354 0.1293 280 ASP A O 2118 C CB . ASP A 280 ? 0.5097 0.7599 0.5789 -0.0657 -0.0523 0.1399 280 ASP A CB 2119 C CG . ASP A 280 ? 0.7297 0.9902 0.8041 -0.0837 -0.0627 0.1454 280 ASP A CG 2120 O OD1 . ASP A 280 ? 0.7533 0.9888 0.8164 -0.0942 -0.0708 0.1405 280 ASP A OD1 2121 O OD2 . ASP A 280 ? 0.8658 1.1593 0.9552 -0.0873 -0.0630 0.1546 280 ASP A OD2 2122 N N . LEU A 281 ? 0.4305 0.6371 0.4780 -0.0358 -0.0371 0.1231 281 LEU A N 2123 C CA . LEU A 281 ? 0.4140 0.6141 0.4572 -0.0220 -0.0272 0.1197 281 LEU A CA 2124 C C . LEU A 281 ? 0.4738 0.6463 0.5045 -0.0229 -0.0264 0.1124 281 LEU A C 2125 O O . LEU A 281 ? 0.4761 0.6464 0.5044 -0.0191 -0.0198 0.1123 281 LEU A O 2126 C CB . LEU A 281 ? 0.3989 0.5999 0.4412 -0.0097 -0.0245 0.1174 281 LEU A CB 2127 C CG . LEU A 281 ? 0.4356 0.6651 0.4901 -0.0063 -0.0252 0.1249 281 LEU A CG 2128 C CD1 . LEU A 281 ? 0.4405 0.6659 0.4912 0.0078 -0.0212 0.1224 281 LEU A CD1 2129 C CD2 . LEU A 281 ? 0.3864 0.6432 0.4527 -0.0044 -0.0194 0.1335 281 LEU A CD2 2130 N N . VAL A 282 ? 0.4236 0.5760 0.4459 -0.0280 -0.0335 0.1066 282 VAL A N 2131 C CA . VAL A 282 ? 0.4105 0.5379 0.4214 -0.0288 -0.0339 0.0999 282 VAL A CA 2132 C C . VAL A 282 ? 0.4752 0.6015 0.4860 -0.0369 -0.0343 0.1034 282 VAL A C 2133 O O . VAL A 282 ? 0.4629 0.5784 0.4677 -0.0333 -0.0299 0.1006 282 VAL A O 2134 C CB . VAL A 282 ? 0.4488 0.5575 0.4512 -0.0318 -0.0413 0.0937 282 VAL A CB 2135 C CG1 . VAL A 282 ? 0.4284 0.5143 0.4202 -0.0328 -0.0421 0.0882 282 VAL A CG1 2136 C CG2 . VAL A 282 ? 0.4399 0.5477 0.4405 -0.0227 -0.0396 0.0901 282 VAL A CG2 2137 N N . ASP A 283 ? 0.4247 0.5621 0.4417 -0.0484 -0.0398 0.1098 283 ASP A N 2138 C CA . ASP A 283 ? 0.4391 0.5756 0.4558 -0.0578 -0.0408 0.1145 283 ASP A CA 2139 C C . ASP A 283 ? 0.4920 0.6422 0.5130 -0.0528 -0.0315 0.1190 283 ASP A C 2140 O O . ASP A 283 ? 0.4880 0.6316 0.5049 -0.0577 -0.0309 0.1210 283 ASP A O 2141 C CB . ASP A 283 ? 0.4653 0.6136 0.4887 -0.0720 -0.0483 0.1214 283 ASP A CB 2142 C CG . ASP A 283 ? 0.6054 0.7334 0.6201 -0.0810 -0.0589 0.1172 283 ASP A CG 2143 O OD1 . ASP A 283 ? 0.5953 0.6990 0.5982 -0.0760 -0.0601 0.1091 283 ASP A OD1 2144 O OD2 . ASP A 283 ? 0.6929 0.8299 0.7121 -0.0930 -0.0659 0.1220 283 ASP A OD2 2145 N N . HIS A 284 ? 0.4472 0.6159 0.4753 -0.0427 -0.0244 0.1207 284 HIS A N 2146 C CA . HIS A 284 ? 0.4392 0.6208 0.4698 -0.0364 -0.0151 0.1245 284 HIS A CA 2147 C C . HIS A 284 ? 0.4691 0.6399 0.4918 -0.0230 -0.0078 0.1179 284 HIS A C 2148 O O . HIS A 284 ? 0.4683 0.6458 0.4900 -0.0176 -0.0001 0.1198 284 HIS A O 2149 C CB . HIS A 284 ? 0.4517 0.6655 0.4964 -0.0353 -0.0119 0.1332 284 HIS A CB 2150 C CG . HIS A 284 ? 0.4993 0.7272 0.5524 -0.0503 -0.0182 0.1412 284 HIS A CG 2151 N ND1 . HIS A 284 ? 0.5331 0.7652 0.5911 -0.0585 -0.0271 0.1424 284 HIS A ND1 2152 C CD2 . HIS A 284 ? 0.5205 0.7556 0.5757 -0.0596 -0.0176 0.1478 284 HIS A CD2 2153 C CE1 . HIS A 284 ? 0.5300 0.7722 0.5935 -0.0730 -0.0317 0.1497 284 HIS A CE1 2154 N NE2 . HIS A 284 ? 0.5292 0.7737 0.5915 -0.0741 -0.0259 0.1536 284 HIS A NE2 2155 N N . GLU A 285 ? 0.4138 0.5681 0.4304 -0.0180 -0.0097 0.1105 285 GLU A N 2156 C CA . GLU A 285 ? 0.4238 0.5681 0.4330 -0.0064 -0.0031 0.1046 285 GLU A CA 2157 C C . GLU A 285 ? 0.4708 0.6025 0.4707 -0.0053 0.0008 0.1014 285 GLU A C 2158 O O . GLU A 285 ? 0.4514 0.5826 0.4469 0.0034 0.0080 0.0995 285 GLU A O 2159 C CB . GLU A 285 ? 0.4322 0.5618 0.4366 -0.0027 -0.0061 0.0980 285 GLU A CB 2160 C CG . GLU A 285 ? 0.5309 0.6391 0.5267 -0.0075 -0.0112 0.0920 285 GLU A CG 2161 C CD . GLU A 285 ? 0.7280 0.8229 0.7186 -0.0033 -0.0130 0.0857 285 GLU A CD 2162 O OE1 . GLU A 285 ? 0.7347 0.8167 0.7206 -0.0079 -0.0186 0.0821 285 GLU A OE1 2163 O OE2 . GLU A 285 ? 0.5534 0.6498 0.5434 0.0049 -0.0084 0.0844 285 GLU A OE2 2164 N N . TRP A 286 ? 0.4928 0.6144 0.4889 -0.0137 -0.0040 0.1012 286 TRP A N 2165 C CA . TRP A 286 ? 0.5470 0.6582 0.5343 -0.0129 -0.0011 0.0988 286 TRP A CA 2166 C C . TRP A 286 ? 0.5956 0.7216 0.5848 -0.0130 0.0047 0.1052 286 TRP A C 2167 O O . TRP A 286 ? 0.6055 0.7250 0.5865 -0.0103 0.0085 0.1031 286 TRP A O 2168 C CB . TRP A 286 ? 0.5790 0.6733 0.5606 -0.0201 -0.0082 0.0965 286 TRP A CB 2169 C CG . TRP A 286 ? 0.6359 0.7152 0.6130 -0.0169 -0.0115 0.0891 286 TRP A CG 2170 C CD1 . TRP A 286 ? 0.6792 0.7552 0.6587 -0.0193 -0.0171 0.0876 286 TRP A CD1 2171 C CD2 . TRP A 286 ? 0.6547 0.7232 0.6245 -0.0101 -0.0084 0.0824 286 TRP A CD2 2172 N NE1 . TRP A 286 ? 0.6842 0.7484 0.6585 -0.0139 -0.0172 0.0808 286 TRP A NE1 2173 C CE2 . TRP A 286 ? 0.7166 0.7761 0.6853 -0.0090 -0.0122 0.0777 286 TRP A CE2 2174 C CE3 . TRP A 286 ? 0.6881 0.7535 0.6514 -0.0057 -0.0031 0.0800 286 TRP A CE3 2175 C CZ2 . TRP A 286 ? 0.7198 0.7687 0.6825 -0.0042 -0.0108 0.0713 286 TRP A CZ2 2176 C CZ3 . TRP A 286 ? 0.7139 0.7676 0.6706 -0.0017 -0.0025 0.0732 286 TRP A CZ3 2177 C CH2 . TRP A 286 ? 0.7244 0.7708 0.6816 -0.0013 -0.0063 0.0693 286 TRP A CH2 2178 N N . HIS A 287 ? 0.5300 0.6773 0.5298 -0.0159 0.0057 0.1129 287 HIS A N 2179 C CA . HIS A 287 ? 0.5368 0.7012 0.5395 -0.0165 0.0115 0.1200 287 HIS A CA 2180 C C . HIS A 287 ? 0.5285 0.7029 0.5296 -0.0038 0.0215 0.1195 287 HIS A C 2181 O O . HIS A 287 ? 0.5331 0.7239 0.5366 -0.0030 0.0272 0.1255 287 HIS A O 2182 C CB . HIS A 287 ? 0.5673 0.7532 0.5830 -0.0259 0.0083 0.1296 287 HIS A CB 2183 C CG . HIS A 287 ? 0.6441 0.8195 0.6601 -0.0394 -0.0015 0.1309 287 HIS A CG 2184 N ND1 . HIS A 287 ? 0.6927 0.8481 0.6986 -0.0450 -0.0050 0.1289 287 HIS A ND1 2185 C CD2 . HIS A 287 ? 0.6897 0.8723 0.7138 -0.0480 -0.0085 0.1344 287 HIS A CD2 2186 C CE1 . HIS A 287 ? 0.7003 0.8487 0.7077 -0.0559 -0.0137 0.1307 287 HIS A CE1 2187 N NE2 . HIS A 287 ? 0.7014 0.8653 0.7192 -0.0587 -0.0162 0.1337 287 HIS A NE2 2188 N N . VAL A 288 ? 0.4503 0.6153 0.4470 0.0060 0.0239 0.1128 288 VAL A N 2189 C CA . VAL A 288 ? 0.4384 0.6105 0.4322 0.0189 0.0332 0.1122 288 VAL A CA 2190 C C . VAL A 288 ? 0.4851 0.6376 0.4631 0.0253 0.0377 0.1046 288 VAL A C 2191 O O . VAL A 288 ? 0.5046 0.6591 0.4770 0.0362 0.0456 0.1033 288 VAL A O 2192 C CB . VAL A 288 ? 0.4741 0.6526 0.4741 0.0268 0.0340 0.1120 288 VAL A CB 2193 C CG1 . VAL A 288 ? 0.4639 0.6662 0.4797 0.0209 0.0300 0.1205 288 VAL A CG1 2194 C CG2 . VAL A 288 ? 0.4693 0.6250 0.4627 0.0275 0.0294 0.1039 288 VAL A CG2 2195 N N . LEU A 289 ? 0.4414 0.5753 0.4117 0.0191 0.0327 0.0995 289 LEU A N 2196 C CA . LEU A 289 ? 0.4629 0.5793 0.4183 0.0230 0.0357 0.0924 289 LEU A CA 2197 C C . LEU A 289 ? 0.5184 0.6433 0.4678 0.0261 0.0426 0.0955 289 LEU A C 2198 O O . LEU A 289 ? 0.5097 0.6488 0.4653 0.0202 0.0421 0.1028 289 LEU A O 2199 C CB . LEU A 289 ? 0.4548 0.5540 0.4051 0.0153 0.0283 0.0879 289 LEU A CB 2200 C CG . LEU A 289 ? 0.5037 0.5910 0.4555 0.0149 0.0232 0.0826 289 LEU A CG 2201 C CD1 . LEU A 289 ? 0.5022 0.5766 0.4506 0.0078 0.0161 0.0796 289 LEU A CD1 2202 C CD2 . LEU A 289 ? 0.4813 0.5581 0.4251 0.0233 0.0277 0.0764 289 LEU A CD2 2203 N N . PRO A 290 ? 0.4974 0.6142 0.4344 0.0354 0.0493 0.0904 290 PRO A N 2204 C CA . PRO A 290 ? 0.5129 0.6387 0.4429 0.0399 0.0568 0.0932 290 PRO A CA 2205 C C . PRO A 290 ? 0.5843 0.7065 0.5073 0.0323 0.0545 0.0941 290 PRO A C 2206 O O . PRO A 290 ? 0.5732 0.7085 0.4948 0.0331 0.0595 0.0994 290 PRO A O 2207 C CB . PRO A 290 ? 0.5517 0.6639 0.4674 0.0515 0.0634 0.0859 290 PRO A CB 2208 C CG . PRO A 290 ? 0.5968 0.6875 0.5084 0.0490 0.0575 0.0782 290 PRO A CG 2209 C CD . PRO A 290 ? 0.5249 0.6234 0.4525 0.0421 0.0506 0.0821 290 PRO A CD 2210 N N . GLN A 291 ? 0.5579 0.6633 0.4765 0.0256 0.0472 0.0892 291 GLN A N 2211 C CA . GLN A 291 ? 0.5601 0.6610 0.4718 0.0189 0.0440 0.0902 291 GLN A CA 2212 C C . GLN A 291 ? 0.5876 0.6804 0.5052 0.0102 0.0344 0.0899 291 GLN A C 2213 O O . GLN A 291 ? 0.5809 0.6679 0.5042 0.0101 0.0307 0.0867 291 GLN A O 2214 C CB . GLN A 291 ? 0.5875 0.6728 0.4812 0.0226 0.0457 0.0822 291 GLN A CB 2215 C CG . GLN A 291 ? 0.6761 0.7608 0.5586 0.0330 0.0548 0.0788 291 GLN A CG 2216 C CD . GLN A 291 ? 0.8674 0.9400 0.7475 0.0391 0.0559 0.0720 291 GLN A CD 2217 O OE1 . GLN A 291 ? 0.8290 0.8919 0.7136 0.0350 0.0498 0.0686 291 GLN A OE1 2218 N NE2 . GLN A 291 ? 0.7153 0.7876 0.5876 0.0495 0.0642 0.0701 291 GLN A NE2 2219 N N . GLU A 292 ? 0.5310 0.6217 0.4453 0.0037 0.0306 0.0931 292 GLU A N 2220 C CA . GLU A 292 ? 0.5105 0.5908 0.4269 -0.0031 0.0218 0.0925 292 GLU A CA 2221 C C . GLU A 292 ? 0.5372 0.6027 0.4456 0.0004 0.0199 0.0829 292 GLU A C 2222 O O . GLU A 292 ? 0.5281 0.5893 0.4250 0.0041 0.0233 0.0788 292 GLU A O 2223 C CB . GLU A 292 ? 0.5274 0.6075 0.4382 -0.0085 0.0196 0.0978 292 GLU A CB 2224 C CG . GLU A 292 ? 0.6822 0.7506 0.5939 -0.0141 0.0108 0.0980 292 GLU A CG 2225 C CD . GLU A 292 ? 0.9901 1.0552 0.8945 -0.0184 0.0082 0.1031 292 GLU A CD 2226 O OE1 . GLU A 292 ? 0.9565 1.0296 0.8552 -0.0179 0.0132 0.1072 292 GLU A OE1 2227 O OE2 . GLU A 292 ? 0.9231 0.9774 0.8270 -0.0216 0.0011 0.1032 292 GLU A OE2 2228 N N . SER A 293 ? 0.4734 0.5319 0.3874 -0.0009 0.0149 0.0796 293 SER A N 2229 C CA . SER A 293 ? 0.4734 0.5205 0.3813 0.0017 0.0136 0.0714 293 SER A CA 2230 C C . SER A 293 ? 0.5257 0.5660 0.4391 -0.0010 0.0069 0.0690 293 SER A C 2231 O O . SER A 293 ? 0.5244 0.5671 0.4460 -0.0039 0.0034 0.0728 293 SER A O 2232 C CB . SER A 293 ? 0.4977 0.5444 0.4039 0.0080 0.0196 0.0675 293 SER A CB 2233 O OG . SER A 293 ? 0.5654 0.6196 0.4824 0.0095 0.0208 0.0707 293 SER A OG 2234 N N . ILE A 294 ? 0.4672 0.4992 0.3754 0.0000 0.0051 0.0626 294 ILE A N 2235 C CA . ILE A 294 ? 0.4447 0.4716 0.3577 -0.0012 0.0001 0.0596 294 ILE A CA 2236 C C . ILE A 294 ? 0.4816 0.5037 0.3919 0.0015 0.0029 0.0537 294 ILE A C 2237 O O . ILE A 294 ? 0.4520 0.4716 0.3541 0.0035 0.0073 0.0511 294 ILE A O 2238 C CB . ILE A 294 ? 0.4816 0.5049 0.3920 -0.0035 -0.0059 0.0592 294 ILE A CB 2239 C CG1 . ILE A 294 ? 0.4821 0.5038 0.3824 -0.0035 -0.0054 0.0558 294 ILE A CG1 2240 C CG2 . ILE A 294 ? 0.4775 0.5022 0.3903 -0.0061 -0.0091 0.0658 294 ILE A CG2 2241 C CD1 . ILE A 294 ? 0.5405 0.5610 0.4392 -0.0048 -0.0114 0.0549 294 ILE A CD1 2242 N N . PHE A 295 ? 0.4470 0.4665 0.3630 0.0016 0.0006 0.0517 295 PHE A N 2243 C CA . PHE A 295 ? 0.4417 0.4558 0.3556 0.0034 0.0030 0.0471 295 PHE A CA 2244 C C . PHE A 295 ? 0.4547 0.4691 0.3668 0.0078 0.0094 0.0478 295 PHE A C 2245 O O . PHE A 295 ? 0.4627 0.4696 0.3670 0.0099 0.0130 0.0439 295 PHE A O 2246 C CB . PHE A 295 ? 0.4710 0.4795 0.3768 0.0011 0.0019 0.0420 295 PHE A CB 2247 C CG . PHE A 295 ? 0.4776 0.4823 0.3852 -0.0002 0.0003 0.0384 295 PHE A CG 2248 C CD1 . PHE A 295 ? 0.4616 0.4623 0.3708 0.0021 0.0034 0.0376 295 PHE A CD1 2249 C CD2 . PHE A 295 ? 0.4901 0.4963 0.3977 -0.0035 -0.0041 0.0364 295 PHE A CD2 2250 C CE1 . PHE A 295 ? 0.4471 0.4446 0.3575 0.0004 0.0023 0.0350 295 PHE A CE1 2251 C CE2 . PHE A 295 ? 0.4894 0.4941 0.3988 -0.0052 -0.0049 0.0336 295 PHE A CE2 2252 C CZ . PHE A 295 ? 0.4539 0.4538 0.3646 -0.0035 -0.0017 0.0331 295 PHE A CZ 2253 N N . ARG A 296 ? 0.4062 0.4292 0.3250 0.0093 0.0107 0.0530 296 ARG A N 2254 C CA . ARG A 296 ? 0.4152 0.4427 0.3349 0.0147 0.0166 0.0552 296 ARG A CA 2255 C C . ARG A 296 ? 0.4612 0.4973 0.3926 0.0144 0.0145 0.0597 296 ARG A C 2256 O O . ARG A 296 ? 0.4586 0.5003 0.3960 0.0098 0.0102 0.0634 296 ARG A O 2257 C CB . ARG A 296 ? 0.3982 0.4322 0.3136 0.0168 0.0213 0.0582 296 ARG A CB 2258 C CG . ARG A 296 ? 0.4743 0.4991 0.3757 0.0176 0.0237 0.0533 296 ARG A CG 2259 C CD . ARG A 296 ? 0.4832 0.4955 0.3753 0.0222 0.0278 0.0475 296 ARG A CD 2260 N NE . ARG A 296 ? 0.5465 0.5492 0.4236 0.0217 0.0294 0.0427 296 ARG A NE 2261 C CZ . ARG A 296 ? 0.5703 0.5644 0.4413 0.0162 0.0250 0.0379 296 ARG A CZ 2262 N NH1 . ARG A 296 ? 0.4655 0.4595 0.3441 0.0116 0.0196 0.0373 296 ARG A NH1 2263 N NH2 . ARG A 296 ? 0.4459 0.4323 0.3027 0.0153 0.0261 0.0337 296 ARG A NH2 2264 N N . PHE A 297 ? 0.3990 0.4347 0.3324 0.0191 0.0170 0.0592 297 PHE A N 2265 C CA . PHE A 297 ? 0.3895 0.4331 0.3329 0.0190 0.0146 0.0629 297 PHE A CA 2266 C C . PHE A 297 ? 0.4543 0.5082 0.4009 0.0256 0.0201 0.0670 297 PHE A C 2267 O O . PHE A 297 ? 0.4498 0.4986 0.3892 0.0323 0.0260 0.0649 297 PHE A O 2268 C CB . PHE A 297 ? 0.4037 0.4383 0.3467 0.0187 0.0116 0.0590 297 PHE A CB 2269 C CG . PHE A 297 ? 0.4164 0.4413 0.3541 0.0144 0.0083 0.0543 297 PHE A CG 2270 C CD1 . PHE A 297 ? 0.4239 0.4503 0.3645 0.0094 0.0029 0.0552 297 PHE A CD1 2271 C CD2 . PHE A 297 ? 0.4322 0.4467 0.3615 0.0153 0.0107 0.0494 297 PHE A CD2 2272 C CE1 . PHE A 297 ? 0.4188 0.4388 0.3552 0.0068 0.0000 0.0516 297 PHE A CE1 2273 C CE2 . PHE A 297 ? 0.4536 0.4629 0.3795 0.0111 0.0074 0.0459 297 PHE A CE2 2274 C CZ . PHE A 297 ? 0.4225 0.4357 0.3525 0.0075 0.0022 0.0471 297 PHE A CZ 2275 N N . SER A 298 ? 0.4041 0.4729 0.3612 0.0235 0.0180 0.0730 298 SER A N 2276 C CA . SER A 298 ? 0.4151 0.4998 0.3783 0.0290 0.0226 0.0786 298 SER A CA 2277 C C . SER A 298 ? 0.4478 0.5314 0.4104 0.0380 0.0262 0.0780 298 SER A C 2278 O O . SER A 298 ? 0.4504 0.5381 0.4102 0.0466 0.0330 0.0794 298 SER A O 2279 C CB . SER A 298 ? 0.4499 0.5509 0.4251 0.0223 0.0178 0.0852 298 SER A CB 2280 O OG . SER A 298 ? 0.4874 0.5908 0.4620 0.0157 0.0167 0.0875 298 SER A OG 2281 N N . PHE A 299 ? 0.4063 0.4843 0.3708 0.0367 0.0219 0.0764 299 PHE A N 2282 C CA . PHE A 299 ? 0.3899 0.4674 0.3544 0.0447 0.0243 0.0770 299 PHE A CA 2283 C C . PHE A 299 ? 0.4401 0.4971 0.3950 0.0451 0.0239 0.0707 299 PHE A C 2284 O O . PHE A 299 ? 0.4329 0.4848 0.3889 0.0394 0.0185 0.0686 299 PHE A O 2285 C CB . PHE A 299 ? 0.3824 0.4765 0.3590 0.0429 0.0197 0.0826 299 PHE A CB 2286 C CG . PHE A 299 ? 0.3730 0.4896 0.3594 0.0424 0.0210 0.0896 299 PHE A CG 2287 C CD1 . PHE A 299 ? 0.3956 0.5253 0.3848 0.0525 0.0275 0.0941 299 PHE A CD1 2288 C CD2 . PHE A 299 ? 0.3596 0.4837 0.3517 0.0321 0.0162 0.0921 299 PHE A CD2 2289 C CE1 . PHE A 299 ? 0.3891 0.5422 0.3880 0.0520 0.0294 0.1012 299 PHE A CE1 2290 C CE2 . PHE A 299 ? 0.3856 0.5310 0.3866 0.0304 0.0178 0.0993 299 PHE A CE2 2291 C CZ . PHE A 299 ? 0.3619 0.5235 0.3671 0.0402 0.0244 0.1040 299 PHE A CZ 2292 N N . VAL A 300 ? 0.4268 0.4715 0.3712 0.0515 0.0299 0.0676 300 VAL A N 2293 C CA . VAL A 300 ? 0.4132 0.4373 0.3468 0.0509 0.0302 0.0618 300 VAL A CA 2294 C C . VAL A 300 ? 0.4600 0.4743 0.3858 0.0610 0.0360 0.0620 300 VAL A C 2295 O O . VAL A 300 ? 0.4586 0.4824 0.3865 0.0695 0.0403 0.0660 300 VAL A O 2296 C CB . VAL A 300 ? 0.4379 0.4512 0.3625 0.0460 0.0308 0.0566 300 VAL A CB 2297 C CG1 . VAL A 300 ? 0.4134 0.4342 0.3445 0.0371 0.0250 0.0568 300 VAL A CG1 2298 C CG2 . VAL A 300 ? 0.4429 0.4549 0.3599 0.0524 0.0374 0.0564 300 VAL A CG2 2299 N N . PRO A 301 ? 0.4362 0.4311 0.3518 0.0605 0.0366 0.0578 301 PRO A N 2300 C CA . PRO A 301 ? 0.4471 0.4286 0.3526 0.0702 0.0422 0.0580 301 PRO A CA 2301 C C . PRO A 301 ? 0.5075 0.4867 0.4052 0.0786 0.0489 0.0576 301 PRO A C 2302 O O . PRO A 301 ? 0.4945 0.4731 0.3886 0.0749 0.0496 0.0546 301 PRO A O 2303 C CB . PRO A 301 ? 0.4690 0.4284 0.3632 0.0645 0.0413 0.0527 301 PRO A CB 2304 C CG . PRO A 301 ? 0.4943 0.4625 0.3984 0.0546 0.0345 0.0525 301 PRO A CG 2305 C CD . PRO A 301 ? 0.4377 0.4228 0.3510 0.0513 0.0321 0.0537 301 PRO A CD 2306 N N . VAL A 302 ? 0.4890 0.4683 0.3844 0.0908 0.0539 0.0611 302 VAL A N 2307 C CA . VAL A 302 ? 0.4998 0.4782 0.3876 0.1017 0.0612 0.0614 302 VAL A CA 2308 C C . VAL A 302 ? 0.6069 0.5557 0.4747 0.1095 0.0664 0.0573 302 VAL A C 2309 O O . VAL A 302 ? 0.5934 0.5305 0.4580 0.1111 0.0654 0.0582 302 VAL A O 2310 C CB . VAL A 302 ? 0.5100 0.5158 0.4117 0.1110 0.0633 0.0695 302 VAL A CB 2311 C CG1 . VAL A 302 ? 0.4940 0.5026 0.4003 0.1179 0.0625 0.0743 302 VAL A CG1 2312 C CG2 . VAL A 302 ? 0.5212 0.5291 0.4156 0.1231 0.0717 0.0702 302 VAL A CG2 2313 N N . VAL A 303 ? 0.5959 0.5312 0.4488 0.1140 0.0718 0.0529 303 VAL A N 2314 C CA . VAL A 303 ? 0.6212 0.5259 0.4528 0.1221 0.0770 0.0488 303 VAL A CA 2315 C C . VAL A 303 ? 0.6694 0.5834 0.5032 0.1400 0.0830 0.0551 303 VAL A C 2316 O O . VAL A 303 ? 0.6672 0.5920 0.5002 0.1501 0.0888 0.0566 303 VAL A O 2317 C CB . VAL A 303 ? 0.6942 0.5792 0.5069 0.1202 0.0800 0.0411 303 VAL A CB 2318 C CG1 . VAL A 303 ? 0.7197 0.5696 0.5082 0.1283 0.0849 0.0367 303 VAL A CG1 2319 C CG2 . VAL A 303 ? 0.6730 0.5553 0.4868 0.1026 0.0732 0.0363 303 VAL A CG2 2320 N N . ASP A 304 ? 0.6238 0.5383 0.4629 0.1435 0.0813 0.0597 304 ASP A N 2321 C CA . ASP A 304 ? 0.6248 0.5523 0.4695 0.1596 0.0853 0.0670 304 ASP A CA 2322 C C . ASP A 304 ? 0.7317 0.6308 0.5558 0.1749 0.0921 0.0660 304 ASP A C 2323 O O . ASP A 304 ? 0.7327 0.6431 0.5597 0.1912 0.0968 0.0720 304 ASP A O 2324 C CB . ASP A 304 ? 0.6157 0.5607 0.4773 0.1552 0.0789 0.0731 304 ASP A CB 2325 C CG . ASP A 304 ? 0.6671 0.5892 0.5212 0.1465 0.0746 0.0705 304 ASP A CG 2326 O OD1 . ASP A 304 ? 0.6855 0.5804 0.5240 0.1396 0.0750 0.0636 304 ASP A OD1 2327 O OD2 . ASP A 304 ? 0.6593 0.5924 0.5237 0.1452 0.0704 0.0754 304 ASP A OD2 2328 N N . GLY A 305 ? 0.7132 0.5762 0.5168 0.1695 0.0922 0.0590 305 GLY A N 2329 C CA . GLY A 305 ? 0.7597 0.5895 0.5408 0.1822 0.0979 0.0575 305 GLY A CA 2330 C C . GLY A 305 ? 0.8264 0.6504 0.6098 0.1844 0.0953 0.0630 305 GLY A C 2331 O O . GLY A 305 ? 0.8568 0.6561 0.6238 0.1968 0.0998 0.0641 305 GLY A O 2332 N N . ASP A 306 ? 0.7502 0.5961 0.5529 0.1727 0.0882 0.0666 306 ASP A N 2333 C CA . ASP A 306 ? 0.7282 0.5733 0.5351 0.1731 0.0849 0.0722 306 ASP A CA 2334 C C . ASP A 306 ? 0.7478 0.5843 0.5558 0.1535 0.0782 0.0687 306 ASP A C 2335 O O . ASP A 306 ? 0.7532 0.5574 0.5433 0.1490 0.0790 0.0649 306 ASP A O 2336 C CB . ASP A 306 ? 0.7185 0.6018 0.5476 0.1806 0.0830 0.0810 306 ASP A CB 2337 C CG . ASP A 306 ? 0.7719 0.6566 0.6050 0.1823 0.0794 0.0873 306 ASP A CG 2338 O OD1 . ASP A 306 ? 0.7786 0.6324 0.5949 0.1831 0.0806 0.0863 306 ASP A OD1 2339 O OD2 . ASP A 306 ? 0.8471 0.7634 0.6992 0.1827 0.0754 0.0934 306 ASP A OD2 2340 N N . PHE A 307 ? 0.6557 0.5198 0.4836 0.1419 0.0719 0.0698 307 PHE A N 2341 C CA . PHE A 307 ? 0.6361 0.4949 0.4657 0.1244 0.0661 0.0663 307 PHE A CA 2342 C C . PHE A 307 ? 0.7068 0.5425 0.5215 0.1158 0.0675 0.0579 307 PHE A C 2343 O O . PHE A 307 ? 0.7112 0.5243 0.5145 0.1066 0.0662 0.0548 307 PHE A O 2344 C CB . PHE A 307 ? 0.6150 0.5059 0.4661 0.1151 0.0598 0.0677 307 PHE A CB 2345 C CG . PHE A 307 ? 0.6086 0.4976 0.4629 0.1006 0.0542 0.0659 307 PHE A CG 2346 C CD1 . PHE A 307 ? 0.6347 0.5125 0.4836 0.0881 0.0526 0.0595 307 PHE A CD1 2347 C CD2 . PHE A 307 ? 0.6124 0.5129 0.4754 0.0998 0.0503 0.0707 307 PHE A CD2 2348 C CE1 . PHE A 307 ? 0.6288 0.5067 0.4809 0.0760 0.0481 0.0583 307 PHE A CE1 2349 C CE2 . PHE A 307 ? 0.6311 0.5307 0.4964 0.0876 0.0459 0.0690 307 PHE A CE2 2350 C CZ . PHE A 307 ? 0.6057 0.4943 0.4658 0.0761 0.0451 0.0630 307 PHE A CZ 2351 N N . LEU A 308 ? 0.6552 0.4973 0.4695 0.1185 0.0700 0.0548 308 LEU A N 2352 C CA . LEU A 308 ? 0.6701 0.4916 0.4692 0.1118 0.0712 0.0470 308 LEU A CA 2353 C C . LEU A 308 ? 0.7431 0.5457 0.5245 0.1270 0.0788 0.0456 308 LEU A C 2354 O O . LEU A 308 ? 0.7452 0.5653 0.5325 0.1374 0.0824 0.0476 308 LEU A O 2355 C CB . LEU A 308 ? 0.6483 0.4911 0.4589 0.1027 0.0680 0.0441 308 LEU A CB 2356 C CG . LEU A 308 ? 0.6659 0.5259 0.4922 0.0882 0.0607 0.0445 308 LEU A CG 2357 C CD1 . LEU A 308 ? 0.6198 0.4981 0.4549 0.0819 0.0584 0.0422 308 LEU A CD1 2358 C CD2 . LEU A 308 ? 0.6837 0.5230 0.5008 0.0759 0.0576 0.0408 308 LEU A CD2 2359 N N . SER A 309 ? 0.7271 0.4939 0.4865 0.1286 0.0814 0.0426 309 SER A N 2360 C CA . SER A 309 ? 0.7652 0.5069 0.5035 0.1441 0.0888 0.0407 309 SER A CA 2361 C C . SER A 309 ? 0.8231 0.5596 0.5506 0.1447 0.0918 0.0338 309 SER A C 2362 O O . SER A 309 ? 0.8389 0.5672 0.5545 0.1607 0.0987 0.0331 309 SER A O 2363 C CB . SER A 309 ? 0.8381 0.5392 0.5539 0.1430 0.0897 0.0390 309 SER A CB 2364 O OG . SER A 309 ? 0.9243 0.6066 0.6302 0.1245 0.0855 0.0323 309 SER A OG 2365 N N . ASP A 310 ? 0.7610 0.5038 0.4928 0.1281 0.0867 0.0289 310 ASP A N 2366 C CA . ASP A 310 ? 0.7537 0.4949 0.4768 0.1258 0.0881 0.0224 310 ASP A CA 2367 C C . ASP A 310 ? 0.7616 0.5283 0.5034 0.1092 0.0810 0.0219 310 ASP A C 2368 O O . ASP A 310 ? 0.7205 0.5034 0.4796 0.1017 0.0760 0.0262 310 ASP A O 2369 C CB . ASP A 310 ? 0.8040 0.5029 0.4974 0.1215 0.0893 0.0140 310 ASP A CB 2370 C CG . ASP A 310 ? 0.9622 0.6505 0.6379 0.1283 0.0941 0.0075 310 ASP A CG 2371 O OD1 . ASP A 310 ? 0.9333 0.6492 0.6214 0.1286 0.0942 0.0081 310 ASP A OD1 2372 O OD2 . ASP A 310 ? 1.1051 0.7559 0.7532 0.1320 0.0973 0.0016 310 ASP A OD2 2373 N N . THR A 311 ? 0.7257 0.4960 0.4632 0.1044 0.0806 0.0169 311 THR A N 2374 C CA . THR A 311 ? 0.6899 0.4823 0.4429 0.0899 0.0740 0.0164 311 THR A CA 2375 C C . THR A 311 ? 0.7565 0.5356 0.5071 0.0735 0.0675 0.0135 311 THR A C 2376 O O . THR A 311 ? 0.7844 0.5327 0.5150 0.0708 0.0684 0.0091 311 THR A O 2377 C CB . THR A 311 ? 0.7759 0.5688 0.5196 0.0883 0.0751 0.0112 311 THR A CB 2378 O OG1 . THR A 311 ? 0.8296 0.5894 0.5487 0.0825 0.0749 0.0032 311 THR A OG1 2379 C CG2 . THR A 311 ? 0.7190 0.5237 0.4621 0.1044 0.0826 0.0137 311 THR A CG2 2380 N N . PRO A 312 ? 0.6897 0.4909 0.4592 0.0621 0.0612 0.0158 312 PRO A N 2381 C CA . PRO A 312 ? 0.6892 0.4809 0.4569 0.0468 0.0555 0.0133 312 PRO A CA 2382 C C . PRO A 312 ? 0.7844 0.5540 0.5322 0.0377 0.0542 0.0055 312 PRO A C 2383 O O . PRO A 312 ? 0.7893 0.5387 0.5265 0.0287 0.0522 0.0031 312 PRO A O 2384 C CB . PRO A 312 ? 0.6617 0.4836 0.4520 0.0392 0.0499 0.0165 312 PRO A CB 2385 C CG . PRO A 312 ? 0.6932 0.5357 0.4979 0.0508 0.0525 0.0225 312 PRO A CG 2386 C CD . PRO A 312 ? 0.6585 0.4933 0.4511 0.0626 0.0588 0.0210 312 PRO A CD 2387 N N . GLU A 313 ? 0.7754 0.5488 0.5173 0.0399 0.0554 0.0018 313 GLU A N 2388 C CA A GLU A 313 ? 0.8019 0.5550 0.5234 0.0320 0.0539 -0.0059 313 GLU A CA 2389 C CA B GLU A 313 ? 0.8037 0.5572 0.5255 0.0320 0.0539 -0.0059 313 GLU A CA 2390 C C . GLU A 313 ? 0.8957 0.6108 0.5919 0.0353 0.0577 -0.0100 313 GLU A C 2391 O O . GLU A 313 ? 0.9223 0.6171 0.6054 0.0226 0.0539 -0.0145 313 GLU A O 2392 C CB A GLU A 313 ? 0.8212 0.5838 0.5386 0.0378 0.0562 -0.0083 313 GLU A CB 2393 C CB B GLU A 313 ? 0.8235 0.5875 0.5422 0.0379 0.0561 -0.0080 313 GLU A CB 2394 C CG A GLU A 313 ? 0.9414 0.6848 0.6372 0.0292 0.0539 -0.0166 313 GLU A CG 2395 C CG B GLU A 313 ? 0.9351 0.7104 0.6559 0.0249 0.0498 -0.0112 313 GLU A CG 2396 C CD A GLU A 313 ? 1.2726 1.0170 0.9571 0.0380 0.0582 -0.0196 313 GLU A CD 2397 C CD B GLU A 313 ? 1.0503 0.8555 0.7958 0.0169 0.0437 -0.0064 313 GLU A CD 2398 O OE1 A GLU A 313 ? 1.3269 1.0955 1.0229 0.0350 0.0556 -0.0180 313 GLU A OE1 2399 O OE1 B GLU A 313 ? 0.9237 0.7306 0.6696 0.0035 0.0374 -0.0090 313 GLU A OE1 2400 O OE2 A GLU A 313 ? 1.2280 0.9482 0.8910 0.0481 0.0643 -0.0236 313 GLU A OE2 2401 O OE2 B GLU A 313 ? 0.7573 0.5843 0.5209 0.0239 0.0451 -0.0003 313 GLU A OE2 2402 N N . ALA A 314 ? 0.8698 0.5755 0.5592 0.0523 0.0650 -0.0080 314 ALA A N 2403 C CA . ALA A 314 ? 0.9035 0.5710 0.5675 0.0587 0.0695 -0.0114 314 ALA A CA 2404 C C . ALA A 314 ? 0.9401 0.5933 0.6044 0.0515 0.0670 -0.0085 314 ALA A C 2405 O O . ALA A 314 ? 0.9726 0.5915 0.6147 0.0456 0.0667 -0.0129 314 ALA A O 2406 C CB . ALA A 314 ? 0.9220 0.5884 0.5818 0.0806 0.0781 -0.0087 314 ALA A CB 2407 N N . LEU A 315 ? 0.8671 0.5454 0.5552 0.0516 0.0653 -0.0010 315 LEU A N 2408 C CA . LEU A 315 ? 0.8444 0.5131 0.5345 0.0453 0.0633 0.0028 315 LEU A CA 2409 C C . LEU A 315 ? 0.8904 0.5561 0.5804 0.0240 0.0564 0.0000 315 LEU A C 2410 O O . LEU A 315 ? 0.9121 0.5548 0.5910 0.0167 0.0556 0.0002 315 LEU A O 2411 C CB . LEU A 315 ? 0.8074 0.5039 0.5214 0.0528 0.0636 0.0114 315 LEU A CB 2412 C CG . LEU A 315 ? 0.8582 0.5601 0.5740 0.0735 0.0701 0.0158 315 LEU A CG 2413 C CD1 . LEU A 315 ? 0.8213 0.5541 0.5618 0.0775 0.0685 0.0238 315 LEU A CD1 2414 C CD2 . LEU A 315 ? 0.8757 0.5414 0.5682 0.0840 0.0755 0.0154 315 LEU A CD2 2415 N N . ILE A 316 ? 0.8422 0.5306 0.5437 0.0141 0.0515 -0.0023 316 ILE A N 2416 C CA . ILE A 316 ? 0.8597 0.5481 0.5616 -0.0055 0.0449 -0.0047 316 ILE A CA 2417 C C . ILE A 316 ? 1.0324 0.6875 0.7070 -0.0142 0.0439 -0.0125 316 ILE A C 2418 O O . ILE A 316 ? 1.0597 0.7046 0.7290 -0.0303 0.0394 -0.0137 316 ILE A O 2419 C CB . ILE A 316 ? 0.8536 0.5779 0.5776 -0.0136 0.0393 -0.0036 316 ILE A CB 2420 C CG1 . ILE A 316 ? 0.8603 0.5909 0.5797 -0.0129 0.0383 -0.0087 316 ILE A CG1 2421 C CG2 . ILE A 316 ? 0.8114 0.5647 0.5599 -0.0057 0.0399 0.0037 316 ILE A CG2 2422 C CD1 . ILE A 316 ? 0.8268 0.5884 0.5640 -0.0231 0.0317 -0.0083 316 ILE A CD1 2423 N N . ASN A 317 ? 1.0351 0.6738 0.6919 -0.0039 0.0480 -0.0176 317 ASN A N 2424 C CA . ASN A 317 ? 1.0787 0.6831 0.7065 -0.0107 0.0472 -0.0260 317 ASN A CA 2425 C C . ASN A 317 ? 1.1832 0.7463 0.7878 -0.0085 0.0506 -0.0268 317 ASN A C 2426 O O . ASN A 317 ? 1.2269 0.7616 0.8110 -0.0221 0.0472 -0.0321 317 ASN A O 2427 C CB . ASN A 317 ? 1.0939 0.6960 0.7098 0.0007 0.0508 -0.0313 317 ASN A CB 2428 C CG . ASN A 317 ? 1.3729 1.0085 1.0047 -0.0033 0.0470 -0.0317 317 ASN A CG 2429 O OD1 . ASN A 317 ? 1.3280 0.9866 0.9771 -0.0167 0.0405 -0.0296 317 ASN A OD1 2430 N ND2 . ASN A 317 ? 1.2815 0.9205 0.9069 0.0088 0.0514 -0.0342 317 ASN A ND2 2431 N N . THR A 318 ? 1.1369 0.6959 0.7441 0.0080 0.0568 -0.0214 318 THR A N 2432 C CA . THR A 318 ? 1.1710 0.6895 0.7554 0.0132 0.0608 -0.0213 318 THR A CA 2433 C C . THR A 318 ? 1.2216 0.7399 0.8157 0.0070 0.0593 -0.0139 318 THR A C 2434 O O . THR A 318 ? 1.2722 0.7547 0.8462 0.0082 0.0617 -0.0134 318 THR A O 2435 C CB . THR A 318 ? 1.2884 0.7971 0.8636 0.0381 0.0694 -0.0206 318 THR A CB 2436 O OG1 . THR A 318 ? 1.2667 0.8103 0.8691 0.0497 0.0716 -0.0121 318 THR A OG1 2437 C CG2 . THR A 318 ? 1.2711 0.7763 0.8328 0.0457 0.0720 -0.0280 318 THR A CG2 2438 N N . GLY A 319 ? 1.1201 0.6764 0.7429 0.0014 0.0559 -0.0081 319 GLY A N 2439 C CA . GLY A 319 ? 1.1040 0.6646 0.7375 -0.0037 0.0549 -0.0007 319 GLY A CA 2440 C C . GLY A 319 ? 1.1555 0.6960 0.7782 -0.0246 0.0504 -0.0015 319 GLY A C 2441 O O . GLY A 319 ? 1.1475 0.6866 0.7651 -0.0404 0.0454 -0.0070 319 GLY A O 2442 N N . ASP A 320 ? 1.1199 0.6460 0.7394 -0.0251 0.0521 0.0047 320 ASP A N 2443 C CA . ASP A 320 ? 1.1339 0.6437 0.7455 -0.0451 0.0484 0.0062 320 ASP A CA 2444 C C . ASP A 320 ? 1.1148 0.6638 0.7551 -0.0516 0.0458 0.0135 320 ASP A C 2445 O O . ASP A 320 ? 1.0944 0.6546 0.7457 -0.0397 0.0490 0.0203 320 ASP A O 2446 C CB . ASP A 320 ? 1.2015 0.6664 0.7879 -0.0407 0.0525 0.0087 320 ASP A CB 2447 C CG . ASP A 320 ? 1.3670 0.8126 0.9441 -0.0617 0.0492 0.0116 320 ASP A CG 2448 O OD1 . ASP A 320 ? 1.3644 0.8255 0.9492 -0.0819 0.0433 0.0096 320 ASP A OD1 2449 O OD2 . ASP A 320 ? 1.4887 0.9032 1.0498 -0.0581 0.0524 0.0161 320 ASP A OD2 2450 N N . PHE A 321 ? 1.0398 0.6112 0.6923 -0.0695 0.0400 0.0121 321 PHE A N 2451 C CA . PHE A 321 ? 0.9946 0.6051 0.6741 -0.0749 0.0376 0.0181 321 PHE A CA 2452 C C . PHE A 321 ? 1.0925 0.7011 0.7717 -0.0954 0.0345 0.0219 321 PHE A C 2453 O O . PHE A 321 ? 1.0609 0.7032 0.7610 -0.1031 0.0317 0.0252 321 PHE A O 2454 C CB . PHE A 321 ? 0.9653 0.6124 0.6644 -0.0745 0.0341 0.0149 321 PHE A CB 2455 C CG . PHE A 321 ? 0.9516 0.6044 0.6531 -0.0556 0.0373 0.0124 321 PHE A CG 2456 C CD1 . PHE A 321 ? 0.9519 0.6199 0.6665 -0.0396 0.0408 0.0177 321 PHE A CD1 2457 C CD2 . PHE A 321 ? 0.9814 0.6250 0.6715 -0.0542 0.0367 0.0050 321 PHE A CD2 2458 C CE1 . PHE A 321 ? 0.9539 0.6295 0.6718 -0.0232 0.0437 0.0162 321 PHE A CE1 2459 C CE2 . PHE A 321 ? 1.0014 0.6524 0.6942 -0.0370 0.0401 0.0035 321 PHE A CE2 2460 C CZ . PHE A 321 ? 0.9529 0.6207 0.6603 -0.0220 0.0436 0.0094 321 PHE A CZ 2461 N N . GLN A 322 ? 1.1220 0.6910 0.7772 -0.1034 0.0355 0.0219 322 GLN A N 2462 C CA . GLN A 322 ? 1.1458 0.7079 0.7972 -0.1244 0.0328 0.0259 322 GLN A CA 2463 C C . GLN A 322 ? 1.1821 0.7725 0.8539 -0.1263 0.0338 0.0353 322 GLN A C 2464 O O . GLN A 322 ? 1.1838 0.7940 0.8662 -0.1436 0.0304 0.0380 322 GLN A O 2465 C CB . GLN A 322 ? 1.2135 0.7230 0.8333 -0.1287 0.0347 0.0253 322 GLN A CB 2466 C CG . GLN A 322 ? 1.5297 1.0111 1.1271 -0.1389 0.0312 0.0159 322 GLN A CG 2467 C CD . GLN A 322 ? 1.9252 1.3521 1.4899 -0.1452 0.0325 0.0153 322 GLN A CD 2468 O OE1 . GLN A 322 ? 1.9237 1.3348 1.4768 -0.1678 0.0281 0.0146 322 GLN A OE1 2469 N NE2 . GLN A 322 ? 1.8433 1.2401 1.3917 -0.1254 0.0385 0.0156 322 GLN A NE2 2470 N N . ASP A 323 ? 1.1210 0.7153 0.7986 -0.1083 0.0385 0.0401 323 ASP A N 2471 C CA . ASP A 323 ? 1.1092 0.7268 0.8030 -0.1072 0.0401 0.0488 323 ASP A CA 2472 C C . ASP A 323 ? 1.0838 0.7498 0.8063 -0.1034 0.0381 0.0494 323 ASP A C 2473 O O . ASP A 323 ? 1.0620 0.7486 0.7977 -0.1002 0.0396 0.0558 323 ASP A O 2474 C CB . ASP A 323 ? 1.1569 0.7559 0.8424 -0.0884 0.0454 0.0535 323 ASP A CB 2475 C CG . ASP A 323 ? 1.3827 0.9913 1.0746 -0.0669 0.0472 0.0502 323 ASP A CG 2476 O OD1 . ASP A 323 ? 1.3989 1.0019 1.0855 -0.0646 0.0461 0.0427 323 ASP A OD1 2477 O OD2 . ASP A 323 ? 1.4878 1.1096 1.1893 -0.0528 0.0497 0.0554 323 ASP A OD2 2478 N N . LEU A 324 ? 0.9991 0.6811 0.7293 -0.1030 0.0350 0.0428 324 LEU A N 2479 C CA . LEU A 324 ? 0.9366 0.6590 0.6909 -0.0966 0.0333 0.0427 324 LEU A CA 2480 C C . LEU A 324 ? 0.8795 0.6302 0.6477 -0.1111 0.0285 0.0412 324 LEU A C 2481 O O . LEU A 324 ? 0.8759 0.6183 0.6361 -0.1229 0.0251 0.0364 324 LEU A O 2482 C CB . LEU A 324 ? 0.9357 0.6564 0.6892 -0.0811 0.0340 0.0372 324 LEU A CB 2483 C CG . LEU A 324 ? 0.9692 0.7225 0.7434 -0.0688 0.0336 0.0378 324 LEU A CG 2484 C CD1 . LEU A 324 ? 0.9650 0.7266 0.7470 -0.0583 0.0366 0.0445 324 LEU A CD1 2485 C CD2 . LEU A 324 ? 1.0060 0.7543 0.7764 -0.0572 0.0343 0.0325 324 LEU A CD2 2486 N N . GLN A 325 ? 0.7649 0.5498 0.5537 -0.1087 0.0282 0.0451 325 GLN A N 2487 C CA . GLN A 325 ? 0.7174 0.5355 0.5230 -0.1176 0.0242 0.0445 325 GLN A CA 2488 C C . GLN A 325 ? 0.6959 0.5373 0.5162 -0.1034 0.0233 0.0421 325 GLN A C 2489 O O . GLN A 325 ? 0.6514 0.4987 0.4778 -0.0902 0.0259 0.0448 325 GLN A O 2490 C CB . GLN A 325 ? 0.7143 0.5525 0.5302 -0.1268 0.0248 0.0513 325 GLN A CB 2491 C CG . GLN A 325 ? 0.8515 0.6699 0.6542 -0.1441 0.0251 0.0546 325 GLN A CG 2492 C CD . GLN A 325 ? 1.0736 0.8785 0.8702 -0.1393 0.0300 0.0613 325 GLN A CD 2493 O OE1 . GLN A 325 ? 0.9184 0.7466 0.7279 -0.1349 0.0321 0.0665 325 GLN A OE1 2494 N NE2 . GLN A 325 ? 1.1321 0.8988 0.9083 -0.1374 0.0322 0.0610 325 GLN A NE2 2495 N N . VAL A 326 ? 0.6439 0.4976 0.4690 -0.1065 0.0193 0.0372 326 VAL A N 2496 C CA . VAL A 326 ? 0.6314 0.5045 0.4687 -0.0943 0.0180 0.0348 326 VAL A CA 2497 C C . VAL A 326 ? 0.6446 0.5484 0.4966 -0.1009 0.0135 0.0341 326 VAL A C 2498 O O . VAL A 326 ? 0.6462 0.5512 0.4951 -0.1142 0.0102 0.0324 326 VAL A O 2499 C CB . VAL A 326 ? 0.7048 0.5575 0.5301 -0.0867 0.0183 0.0292 326 VAL A CB 2500 C CG1 . VAL A 326 ? 0.6949 0.5672 0.5321 -0.0761 0.0168 0.0272 326 VAL A CG1 2501 C CG2 . VAL A 326 ? 0.7141 0.5399 0.5265 -0.0770 0.0232 0.0304 326 VAL A CG2 2502 N N . LEU A 327 ? 0.5806 0.5085 0.4479 -0.0911 0.0132 0.0355 327 LEU A N 2503 C CA . LEU A 327 ? 0.5701 0.5268 0.4514 -0.0928 0.0093 0.0350 327 LEU A CA 2504 C C . LEU A 327 ? 0.5709 0.5290 0.4543 -0.0814 0.0079 0.0313 327 LEU A C 2505 O O . LEU A 327 ? 0.5485 0.5013 0.4325 -0.0696 0.0103 0.0318 327 LEU A O 2506 C CB . LEU A 327 ? 0.5685 0.5493 0.4637 -0.0899 0.0106 0.0398 327 LEU A CB 2507 C CG . LEU A 327 ? 0.6347 0.6462 0.5451 -0.0872 0.0075 0.0399 327 LEU A CG 2508 C CD1 . LEU A 327 ? 0.6540 0.6771 0.5664 -0.0997 0.0033 0.0389 327 LEU A CD1 2509 C CD2 . LEU A 327 ? 0.6815 0.7127 0.6022 -0.0838 0.0099 0.0446 327 LEU A CD2 2510 N N . VAL A 328 ? 0.5338 0.4970 0.4166 -0.0857 0.0039 0.0278 328 VAL A N 2511 C CA . VAL A 328 ? 0.5274 0.4910 0.4106 -0.0765 0.0026 0.0246 328 VAL A CA 2512 C C . VAL A 328 ? 0.5446 0.5326 0.4384 -0.0781 -0.0022 0.0242 328 VAL A C 2513 O O . VAL A 328 ? 0.5388 0.5377 0.4346 -0.0889 -0.0053 0.0245 328 VAL A O 2514 C CB . VAL A 328 ? 0.5970 0.5350 0.4635 -0.0772 0.0033 0.0201 328 VAL A CB 2515 C CG1 . VAL A 328 ? 0.6117 0.5252 0.4674 -0.0723 0.0084 0.0208 328 VAL A CG1 2516 C CG2 . VAL A 328 ? 0.6085 0.5408 0.4656 -0.0916 -0.0003 0.0170 328 VAL A CG2 2517 N N . GLY A 329 ? 0.4772 0.4730 0.3768 -0.0678 -0.0031 0.0238 329 GLY A N 2518 C CA . GLY A 329 ? 0.4635 0.4798 0.3712 -0.0681 -0.0078 0.0237 329 GLY A CA 2519 C C . GLY A 329 ? 0.4776 0.4973 0.3888 -0.0572 -0.0086 0.0233 329 GLY A C 2520 O O . GLY A 329 ? 0.4794 0.4873 0.3878 -0.0495 -0.0057 0.0233 329 GLY A O 2521 N N . VAL A 330 ? 0.4368 0.4735 0.3541 -0.0570 -0.0129 0.0236 330 VAL A N 2522 C CA . VAL A 330 ? 0.4344 0.4748 0.3542 -0.0482 -0.0147 0.0238 330 VAL A CA 2523 C C . VAL A 330 ? 0.4616 0.5239 0.3930 -0.0440 -0.0178 0.0264 330 VAL A C 2524 O O . VAL A 330 ? 0.4491 0.5265 0.3864 -0.0490 -0.0193 0.0277 330 VAL A O 2525 C CB . VAL A 330 ? 0.4870 0.5203 0.3971 -0.0516 -0.0170 0.0209 330 VAL A CB 2526 C CG1 . VAL A 330 ? 0.4925 0.5025 0.3894 -0.0533 -0.0132 0.0179 330 VAL A CG1 2527 C CG2 . VAL A 330 ? 0.4859 0.5320 0.3961 -0.0612 -0.0218 0.0202 330 VAL A CG2 2528 N N . VAL A 331 ? 0.4284 0.4924 0.3628 -0.0347 -0.0189 0.0275 331 VAL A N 2529 C CA . VAL A 331 ? 0.4121 0.4935 0.3550 -0.0289 -0.0221 0.0298 331 VAL A CA 2530 C C . VAL A 331 ? 0.4763 0.5630 0.4164 -0.0309 -0.0265 0.0295 331 VAL A C 2531 O O . VAL A 331 ? 0.4677 0.5423 0.3987 -0.0348 -0.0264 0.0274 331 VAL A O 2532 C CB . VAL A 331 ? 0.4100 0.4886 0.3563 -0.0181 -0.0213 0.0313 331 VAL A CB 2533 C CG1 . VAL A 331 ? 0.3886 0.4641 0.3373 -0.0164 -0.0175 0.0316 331 VAL A CG1 2534 C CG2 . VAL A 331 ? 0.3901 0.4546 0.3307 -0.0147 -0.0213 0.0309 331 VAL A CG2 2535 N N . LYS A 332 ? 0.4541 0.5584 0.4008 -0.0272 -0.0303 0.0318 332 LYS A N 2536 C CA . LYS A 332 ? 0.4520 0.5639 0.3964 -0.0285 -0.0351 0.0323 332 LYS A CA 2537 C C . LYS A 332 ? 0.5202 0.6179 0.4570 -0.0239 -0.0355 0.0322 332 LYS A C 2538 O O . LYS A 332 ? 0.5344 0.6305 0.4642 -0.0282 -0.0379 0.0312 332 LYS A O 2539 C CB . LYS A 332 ? 0.4589 0.5933 0.4129 -0.0228 -0.0386 0.0356 332 LYS A CB 2540 C CG . LYS A 332 ? 0.5811 0.7300 0.5348 -0.0257 -0.0443 0.0369 332 LYS A CG 2541 C CD . LYS A 332 ? 0.5927 0.7663 0.5575 -0.0188 -0.0468 0.0408 332 LYS A CD 2542 C CE . LYS A 332 ? 0.7544 0.9324 0.7189 -0.0085 -0.0507 0.0438 332 LYS A CE 2543 N NZ . LYS A 332 ? 0.6117 0.7706 0.5721 0.0017 -0.0484 0.0441 332 LYS A NZ 2544 N N . ASP A 333 ? 0.4621 0.5500 0.3997 -0.0159 -0.0333 0.0334 333 ASP A N 2545 C CA . ASP A 333 ? 0.4454 0.5223 0.3771 -0.0121 -0.0337 0.0344 333 ASP A CA 2546 C C . ASP A 333 ? 0.4791 0.5401 0.4081 -0.0105 -0.0293 0.0338 333 ASP A C 2547 O O . ASP A 333 ? 0.4510 0.5070 0.3818 -0.0045 -0.0293 0.0358 333 ASP A O 2548 C CB . ASP A 333 ? 0.4594 0.5424 0.3942 -0.0038 -0.0373 0.0380 333 ASP A CB 2549 C CG . ASP A 333 ? 0.4942 0.5957 0.4328 -0.0036 -0.0417 0.0394 333 ASP A CG 2550 O OD1 . ASP A 333 ? 0.4838 0.5981 0.4301 -0.0019 -0.0418 0.0397 333 ASP A OD1 2551 O OD2 . ASP A 333 ? 0.5352 0.6399 0.4690 -0.0057 -0.0450 0.0403 333 ASP A OD2 2552 N N . GLU A 334 ? 0.4580 0.5104 0.3818 -0.0161 -0.0260 0.0311 334 GLU A N 2553 C CA . GLU A 334 ? 0.4509 0.4903 0.3725 -0.0145 -0.0215 0.0307 334 GLU A CA 2554 C C . GLU A 334 ? 0.5097 0.5433 0.4289 -0.0103 -0.0213 0.0331 334 GLU A C 2555 O O . GLU A 334 ? 0.4913 0.5196 0.4131 -0.0069 -0.0195 0.0345 334 GLU A O 2556 C CB . GLU A 334 ? 0.4659 0.4961 0.3797 -0.0203 -0.0182 0.0274 334 GLU A CB 2557 C CG . GLU A 334 ? 0.5233 0.5556 0.4385 -0.0257 -0.0176 0.0256 334 GLU A CG 2558 C CD . GLU A 334 ? 0.6261 0.6565 0.5468 -0.0229 -0.0148 0.0265 334 GLU A CD 2559 O OE1 . GLU A 334 ? 0.5118 0.5384 0.4351 -0.0168 -0.0134 0.0282 334 GLU A OE1 2560 O OE2 . GLU A 334 ? 0.5159 0.5489 0.4380 -0.0276 -0.0141 0.0258 334 GLU A OE2 2561 N N . GLY A 335 ? 0.4857 0.5208 0.3997 -0.0113 -0.0234 0.0339 335 GLY A N 2562 C CA . GLY A 335 ? 0.4953 0.5254 0.4065 -0.0085 -0.0227 0.0368 335 GLY A CA 2563 C C . GLY A 335 ? 0.5619 0.5939 0.4766 -0.0041 -0.0261 0.0409 335 GLY A C 2564 O O . GLY A 335 ? 0.5472 0.5743 0.4601 -0.0029 -0.0251 0.0439 335 GLY A O 2565 N N . SER A 336 ? 0.5466 0.5854 0.4657 -0.0015 -0.0299 0.0415 336 SER A N 2566 C CA . SER A 336 ? 0.5637 0.6019 0.4835 0.0036 -0.0336 0.0453 336 SER A CA 2567 C C . SER A 336 ? 0.6040 0.6324 0.5254 0.0062 -0.0329 0.0475 336 SER A C 2568 O O . SER A 336 ? 0.6159 0.6389 0.5339 0.0071 -0.0346 0.0513 336 SER A O 2569 C CB . SER A 336 ? 0.6002 0.6482 0.5242 0.0076 -0.0372 0.0453 336 SER A CB 2570 O OG . SER A 336 ? 0.5704 0.6204 0.5002 0.0095 -0.0358 0.0432 336 SER A OG 2571 N N . TYR A 337 ? 0.5438 0.5695 0.4692 0.0063 -0.0306 0.0455 337 TYR A N 2572 C CA . TYR A 337 ? 0.5335 0.5506 0.4599 0.0074 -0.0306 0.0473 337 TYR A CA 2573 C C . TYR A 337 ? 0.5622 0.5753 0.4860 0.0040 -0.0288 0.0504 337 TYR A C 2574 O O . TYR A 337 ? 0.5499 0.5570 0.4727 0.0039 -0.0308 0.0539 337 TYR A O 2575 C CB . TYR A 337 ? 0.5372 0.5536 0.4678 0.0078 -0.0283 0.0446 337 TYR A CB 2576 C CG . TYR A 337 ? 0.5659 0.5753 0.4973 0.0069 -0.0280 0.0464 337 TYR A CG 2577 C CD1 . TYR A 337 ? 0.6114 0.6133 0.5412 0.0085 -0.0318 0.0485 337 TYR A CD1 2578 C CD2 . TYR A 337 ? 0.5649 0.5750 0.4979 0.0042 -0.0242 0.0464 337 TYR A CD2 2579 C CE1 . TYR A 337 ? 0.6187 0.6151 0.5491 0.0059 -0.0323 0.0505 337 TYR A CE1 2580 C CE2 . TYR A 337 ? 0.5749 0.5818 0.5096 0.0029 -0.0244 0.0489 337 TYR A CE2 2581 C CZ . TYR A 337 ? 0.6916 0.6923 0.6254 0.0030 -0.0287 0.0509 337 TYR A CZ 2582 O OH . TYR A 337 ? 0.7685 0.7669 0.7041 0.0002 -0.0297 0.0534 337 TYR A OH 2583 N N . PHE A 338 ? 0.4945 0.5106 0.4170 0.0012 -0.0247 0.0490 338 PHE A N 2584 C CA . PHE A 338 ? 0.4777 0.4929 0.3981 -0.0010 -0.0215 0.0516 338 PHE A CA 2585 C C . PHE A 338 ? 0.5280 0.5427 0.4437 -0.0020 -0.0233 0.0559 338 PHE A C 2586 O O . PHE A 338 ? 0.5201 0.5342 0.4357 -0.0037 -0.0217 0.0599 338 PHE A O 2587 C CB . PHE A 338 ? 0.4852 0.5020 0.4028 -0.0022 -0.0167 0.0483 338 PHE A CB 2588 C CG . PHE A 338 ? 0.4956 0.5112 0.4174 -0.0013 -0.0148 0.0453 338 PHE A CG 2589 C CD1 . PHE A 338 ? 0.5145 0.5292 0.4401 -0.0004 -0.0124 0.0470 338 PHE A CD1 2590 C CD2 . PHE A 338 ? 0.4938 0.5105 0.4163 -0.0016 -0.0157 0.0416 338 PHE A CD2 2591 C CE1 . PHE A 338 ? 0.5244 0.5378 0.4531 0.0008 -0.0108 0.0448 338 PHE A CE1 2592 C CE2 . PHE A 338 ? 0.5264 0.5416 0.4520 -0.0011 -0.0138 0.0397 338 PHE A CE2 2593 C CZ . PHE A 338 ? 0.5053 0.5182 0.4335 0.0004 -0.0113 0.0412 338 PHE A CZ 2594 N N . LEU A 339 ? 0.4984 0.5144 0.4106 -0.0007 -0.0268 0.0559 339 LEU A N 2595 C CA . LEU A 339 ? 0.5134 0.5285 0.4201 -0.0010 -0.0290 0.0605 339 LEU A CA 2596 C C . LEU A 339 ? 0.5830 0.5905 0.4904 -0.0005 -0.0322 0.0653 339 LEU A C 2597 O O . LEU A 339 ? 0.5724 0.5776 0.4764 -0.0031 -0.0318 0.0704 339 LEU A O 2598 C CB . LEU A 339 ? 0.5187 0.5383 0.4217 0.0008 -0.0326 0.0593 339 LEU A CB 2599 C CG . LEU A 339 ? 0.5642 0.5904 0.4646 -0.0014 -0.0307 0.0546 339 LEU A CG 2600 C CD1 . LEU A 339 ? 0.5529 0.5858 0.4508 -0.0002 -0.0353 0.0545 339 LEU A CD1 2601 C CD2 . LEU A 339 ? 0.5956 0.6209 0.4894 -0.0043 -0.0264 0.0547 339 LEU A CD2 2602 N N . VAL A 340 ? 0.5812 0.5839 0.4919 0.0024 -0.0352 0.0638 340 VAL A N 2603 C CA . VAL A 340 ? 0.6116 0.6034 0.5207 0.0028 -0.0388 0.0676 340 VAL A CA 2604 C C . VAL A 340 ? 0.7060 0.6953 0.6181 -0.0025 -0.0368 0.0699 340 VAL A C 2605 O O . VAL A 340 ? 0.7319 0.7134 0.6412 -0.0055 -0.0392 0.0748 340 VAL A O 2606 C CB . VAL A 340 ? 0.6712 0.6571 0.5806 0.0086 -0.0426 0.0651 340 VAL A CB 2607 C CG1 . VAL A 340 ? 0.6790 0.6712 0.5868 0.0140 -0.0445 0.0639 340 VAL A CG1 2608 C CG2 . VAL A 340 ? 0.6604 0.6481 0.5755 0.0091 -0.0408 0.0604 340 VAL A CG2 2609 N N . TYR A 341 ? 0.6908 0.6874 0.6081 -0.0038 -0.0326 0.0671 341 TYR A N 2610 C CA . TYR A 341 ? 0.7162 0.7144 0.6377 -0.0080 -0.0305 0.0694 341 TYR A CA 2611 C C . TYR A 341 ? 0.8168 0.8203 0.7371 -0.0121 -0.0275 0.0749 341 TYR A C 2612 O O . TYR A 341 ? 0.8677 0.8711 0.7906 -0.0166 -0.0280 0.0794 341 TYR A O 2613 C CB . TYR A 341 ? 0.7157 0.7197 0.6426 -0.0066 -0.0270 0.0650 341 TYR A CB 2614 N N . GLY A 342 ? 0.7374 0.7461 0.6535 -0.0109 -0.0245 0.0746 342 GLY A N 2615 C CA . GLY A 342 ? 0.7186 0.7334 0.6326 -0.0138 -0.0208 0.0797 342 GLY A CA 2616 C C . GLY A 342 ? 0.7214 0.7381 0.6271 -0.0132 -0.0197 0.0813 342 GLY A C 2617 O O . GLY A 342 ? 0.7238 0.7466 0.6273 -0.0151 -0.0156 0.0854 342 GLY A O 2618 N N . VAL A 343 ? 0.6294 0.6421 0.5303 -0.0104 -0.0233 0.0787 343 VAL A N 2619 C CA . VAL A 343 ? 0.6106 0.6254 0.5027 -0.0101 -0.0233 0.0805 343 VAL A CA 2620 C C . VAL A 343 ? 0.6313 0.6389 0.5190 -0.0108 -0.0283 0.0869 343 VAL A C 2621 O O . VAL A 343 ? 0.6314 0.6322 0.5196 -0.0080 -0.0333 0.0859 343 VAL A O 2622 C CB . VAL A 343 ? 0.6428 0.6607 0.5310 -0.0072 -0.0238 0.0742 343 VAL A CB 2623 C CG1 . VAL A 343 ? 0.6364 0.6571 0.5144 -0.0075 -0.0239 0.0763 343 VAL A CG1 2624 C CG2 . VAL A 343 ? 0.6369 0.6581 0.5275 -0.0069 -0.0190 0.0683 343 VAL A CG2 2625 N N . PRO A 344 ? 0.5788 0.5874 0.4613 -0.0140 -0.0267 0.0937 344 PRO A N 2626 C CA . PRO A 344 ? 0.5883 0.5880 0.4651 -0.0149 -0.0315 0.1003 344 PRO A CA 2627 C C . PRO A 344 ? 0.6377 0.6353 0.5081 -0.0096 -0.0360 0.0986 344 PRO A C 2628 O O . PRO A 344 ? 0.6200 0.6260 0.4869 -0.0078 -0.0345 0.0951 344 PRO A O 2629 C CB . PRO A 344 ? 0.6242 0.6288 0.4961 -0.0194 -0.0275 0.1075 344 PRO A CB 2630 C CG . PRO A 344 ? 0.6549 0.6701 0.5337 -0.0213 -0.0210 0.1055 344 PRO A CG 2631 C CD . PRO A 344 ? 0.5884 0.6062 0.4694 -0.0165 -0.0202 0.0961 344 PRO A CD 2632 N N . GLY A 345 ? 0.6102 0.5967 0.4791 -0.0070 -0.0416 0.1010 345 GLY A N 2633 C CA . GLY A 345 ? 0.6016 0.5863 0.4657 -0.0005 -0.0465 0.1006 345 GLY A CA 2634 C C . GLY A 345 ? 0.6199 0.6049 0.4906 0.0047 -0.0488 0.0940 345 GLY A C 2635 O O . GLY A 345 ? 0.6219 0.6054 0.4904 0.0111 -0.0532 0.0939 345 GLY A O 2636 N N . PHE A 346 ? 0.5564 0.5444 0.4351 0.0026 -0.0456 0.0888 346 PHE A N 2637 C CA . PHE A 346 ? 0.5452 0.5346 0.4302 0.0070 -0.0469 0.0826 346 PHE A CA 2638 C C . PHE A 346 ? 0.6403 0.6166 0.5270 0.0081 -0.0491 0.0831 346 PHE A C 2639 O O . PHE A 346 ? 0.6698 0.6396 0.5570 0.0026 -0.0480 0.0857 346 PHE A O 2640 C CB . PHE A 346 ? 0.5314 0.5316 0.4227 0.0047 -0.0424 0.0762 346 PHE A CB 2641 C CG . PHE A 346 ? 0.5251 0.5364 0.4133 0.0046 -0.0417 0.0739 346 PHE A CG 2642 C CD1 . PHE A 346 ? 0.5444 0.5587 0.4266 0.0009 -0.0387 0.0759 346 PHE A CD1 2643 C CD2 . PHE A 346 ? 0.5369 0.5559 0.4276 0.0078 -0.0440 0.0698 346 PHE A CD2 2644 C CE1 . PHE A 346 ? 0.5754 0.5982 0.4527 0.0003 -0.0386 0.0730 346 PHE A CE1 2645 C CE2 . PHE A 346 ? 0.5659 0.5948 0.4530 0.0063 -0.0442 0.0676 346 PHE A CE2 2646 C CZ . PHE A 346 ? 0.5476 0.5772 0.4273 0.0024 -0.0418 0.0688 346 PHE A CZ 2647 N N . SER A 347 ? 0.6152 0.5883 0.5022 0.0151 -0.0524 0.0806 347 SER A N 2648 C CA . SER A 347 ? 0.6234 0.5821 0.5095 0.0180 -0.0550 0.0798 347 SER A CA 2649 C C . SER A 347 ? 0.6510 0.6148 0.5407 0.0262 -0.0560 0.0745 347 SER A C 2650 O O . SER A 347 ? 0.6393 0.6140 0.5297 0.0313 -0.0569 0.0741 347 SER A O 2651 C CB . SER A 347 ? 0.6736 0.6148 0.5497 0.0199 -0.0594 0.0861 347 SER A CB 2652 O OG . SER A 347 ? 0.8076 0.7318 0.6803 0.0226 -0.0622 0.0848 347 SER A OG 2653 N N . LYS A 348 ? 0.6012 0.5576 0.4926 0.0276 -0.0560 0.0710 348 LYS A N 2654 C CA . LYS A 348 ? 0.5865 0.5471 0.4805 0.0359 -0.0565 0.0664 348 LYS A CA 2655 C C . LYS A 348 ? 0.6262 0.5751 0.5121 0.0457 -0.0607 0.0688 348 LYS A C 2656 O O . LYS A 348 ? 0.6157 0.5712 0.5033 0.0548 -0.0611 0.0663 348 LYS A O 2657 C CB . LYS A 348 ? 0.6101 0.5662 0.5071 0.0342 -0.0549 0.0619 348 LYS A CB 2658 C CG . LYS A 348 ? 0.7057 0.6396 0.5944 0.0348 -0.0583 0.0628 348 LYS A CG 2659 C CD . LYS A 348 ? 0.6787 0.6093 0.5688 0.0358 -0.0576 0.0576 348 LYS A CD 2660 C CE . LYS A 348 ? 0.6287 0.5362 0.5080 0.0388 -0.0617 0.0570 348 LYS A CE 2661 N NZ . LYS A 348 ? 0.7511 0.6511 0.6230 0.0512 -0.0638 0.0566 348 LYS A NZ 2662 N N . ASP A 349 ? 0.5929 0.5239 0.4696 0.0440 -0.0637 0.0739 349 ASP A N 2663 C CA . ASP A 349 ? 0.6104 0.5239 0.4764 0.0533 -0.0680 0.0766 349 ASP A CA 2664 C C . ASP A 349 ? 0.6680 0.5861 0.5301 0.0589 -0.0701 0.0819 349 ASP A C 2665 O O . ASP A 349 ? 0.6841 0.5881 0.5370 0.0682 -0.0736 0.0846 349 ASP A O 2666 C CB . ASP A 349 ? 0.6466 0.5338 0.5029 0.0478 -0.0706 0.0791 349 ASP A CB 2667 C CG . ASP A 349 ? 0.7075 0.5886 0.5655 0.0449 -0.0698 0.0735 349 ASP A CG 2668 O OD1 . ASP A 349 ? 0.7039 0.5888 0.5635 0.0534 -0.0690 0.0682 349 ASP A OD1 2669 O OD2 . ASP A 349 ? 0.7804 0.6556 0.6390 0.0340 -0.0698 0.0746 349 ASP A OD2 2670 N N . ASN A 350 ? 0.6111 0.5488 0.4794 0.0541 -0.0683 0.0831 350 ASN A N 2671 C CA . ASN A 350 ? 0.6205 0.5670 0.4860 0.0587 -0.0705 0.0877 350 ASN A CA 2672 C C . ASN A 350 ? 0.6585 0.6320 0.5339 0.0567 -0.0683 0.0844 350 ASN A C 2673 O O . ASN A 350 ? 0.6337 0.6156 0.5170 0.0510 -0.0647 0.0792 350 ASN A O 2674 C CB . ASN A 350 ? 0.6220 0.5562 0.4782 0.0531 -0.0721 0.0951 350 ASN A CB 2675 C CG . ASN A 350 ? 0.9192 0.8597 0.7783 0.0404 -0.0686 0.0960 350 ASN A CG 2676 O OD1 . ASN A 350 ? 0.8041 0.7629 0.6710 0.0364 -0.0653 0.0920 350 ASN A OD1 2677 N ND2 . ASN A 350 ? 0.9711 0.8961 0.8230 0.0338 -0.0690 0.1018 350 ASN A ND2 2678 N N . GLU A 351 ? 0.6062 0.5923 0.4805 0.0611 -0.0708 0.0875 351 GLU A N 2679 C CA . GLU A 351 ? 0.5873 0.5986 0.4691 0.0586 -0.0701 0.0849 351 GLU A CA 2680 C C . GLU A 351 ? 0.5954 0.6120 0.4780 0.0464 -0.0669 0.0834 351 GLU A C 2681 O O . GLU A 351 ? 0.5682 0.6023 0.4559 0.0426 -0.0660 0.0800 351 GLU A O 2682 C CB . GLU A 351 ? 0.6187 0.6408 0.4974 0.0662 -0.0747 0.0896 351 GLU A CB 2683 C CG . GLU A 351 ? 0.7832 0.8116 0.6653 0.0794 -0.0769 0.0895 351 GLU A CG 2684 C CD . GLU A 351 ? 1.0477 1.0960 0.9421 0.0787 -0.0744 0.0834 351 GLU A CD 2685 O OE1 . GLU A 351 ? 1.0716 1.1423 0.9723 0.0739 -0.0749 0.0821 351 GLU A OE1 2686 O OE2 . GLU A 351 ? 0.7927 0.8332 0.6895 0.0820 -0.0721 0.0799 351 GLU A OE2 2687 N N . SER A 352 ? 0.5388 0.5403 0.4155 0.0405 -0.0653 0.0864 352 SER A N 2688 C CA . SER A 352 ? 0.5143 0.5186 0.3904 0.0304 -0.0615 0.0857 352 SER A CA 2689 C C . SER A 352 ? 0.5583 0.5766 0.4309 0.0281 -0.0623 0.0866 352 SER A C 2690 O O . SER A 352 ? 0.5382 0.5652 0.4127 0.0218 -0.0590 0.0824 352 SER A O 2691 C CB . SER A 352 ? 0.5095 0.5177 0.3940 0.0254 -0.0570 0.0792 352 SER A CB 2692 O OG . SER A 352 ? 0.5659 0.5605 0.4519 0.0261 -0.0564 0.0789 352 SER A OG 2693 N N . LEU A 353 ? 0.5339 0.5529 0.4001 0.0336 -0.0668 0.0919 353 LEU A N 2694 C CA . LEU A 353 ? 0.5459 0.5773 0.4067 0.0317 -0.0686 0.0935 353 LEU A CA 2695 C C . LEU A 353 ? 0.6384 0.6619 0.4911 0.0247 -0.0653 0.0969 353 LEU A C 2696 O O . LEU A 353 ? 0.6771 0.6862 0.5245 0.0250 -0.0654 0.1029 353 LEU A O 2697 C CB . LEU A 353 ? 0.5645 0.5993 0.4209 0.0408 -0.0747 0.0991 353 LEU A CB 2698 C CG . LEU A 353 ? 0.6370 0.6818 0.5017 0.0497 -0.0777 0.0969 353 LEU A CG 2699 C CD1 . LEU A 353 ? 0.6595 0.7112 0.5195 0.0591 -0.0837 0.1030 353 LEU A CD1 2700 C CD2 . LEU A 353 ? 0.6352 0.6991 0.5097 0.0451 -0.0763 0.0897 353 LEU A CD2 2701 N N . ILE A 354 ? 0.5603 0.5923 0.4119 0.0181 -0.0620 0.0928 354 ILE A N 2702 C CA . ILE A 354 ? 0.5325 0.5597 0.3772 0.0119 -0.0575 0.0951 354 ILE A CA 2703 C C . ILE A 354 ? 0.5741 0.6089 0.4079 0.0103 -0.0586 0.0970 354 ILE A C 2704 O O . ILE A 354 ? 0.5558 0.6022 0.3883 0.0116 -0.0625 0.0944 354 ILE A O 2705 C CB . ILE A 354 ? 0.5449 0.5725 0.3956 0.0065 -0.0512 0.0887 354 ILE A CB 2706 C CG1 . ILE A 354 ? 0.5137 0.5528 0.3667 0.0046 -0.0510 0.0807 354 ILE A CG1 2707 C CG2 . ILE A 354 ? 0.5362 0.5547 0.3960 0.0074 -0.0500 0.0883 354 ILE A CG2 2708 C CD1 . ILE A 354 ? 0.5147 0.5532 0.3672 -0.0007 -0.0445 0.0755 354 ILE A CD1 2709 N N . SER A 355 ? 0.5427 0.5721 0.3684 0.0068 -0.0550 0.1018 355 SER A N 2710 C CA . SER A 355 ? 0.5560 0.5913 0.3693 0.0050 -0.0550 0.1039 355 SER A CA 2711 C C . SER A 355 ? 0.5957 0.6371 0.4067 0.0002 -0.0500 0.0962 355 SER A C 2712 O O . SER A 355 ? 0.5682 0.6078 0.3873 -0.0018 -0.0458 0.0908 355 SER A O 2713 C CB . SER A 355 ? 0.6302 0.6570 0.4355 0.0034 -0.0525 0.1131 355 SER A CB 2714 O OG . SER A 355 ? 0.6968 0.7206 0.5057 -0.0014 -0.0454 0.1124 355 SER A OG 2715 N N . ARG A 356 ? 0.5808 0.6278 0.3791 -0.0014 -0.0502 0.0959 356 ARG A N 2716 C CA . ARG A 356 ? 0.5998 0.6496 0.3915 -0.0054 -0.0454 0.0887 356 ARG A CA 2717 C C . ARG A 356 ? 0.6589 0.7030 0.4513 -0.0071 -0.0367 0.0898 356 ARG A C 2718 O O . ARG A 356 ? 0.6493 0.6925 0.4444 -0.0086 -0.0320 0.0830 356 ARG A O 2719 C CB . ARG A 356 ? 0.6390 0.6944 0.4144 -0.0063 -0.0480 0.0890 356 ARG A CB 2720 C CG . ARG A 356 ? 0.7518 0.8075 0.5173 -0.0099 -0.0437 0.0807 356 ARG A CG 2721 C CD . ARG A 356 ? 0.8721 0.9348 0.6271 -0.0122 -0.0501 0.0761 356 ARG A CD 2722 N NE . ARG A 356 ? 0.8596 0.9184 0.6048 -0.0161 -0.0460 0.0667 356 ARG A NE 2723 C CZ . ARG A 356 ? 0.8654 0.9226 0.6164 -0.0194 -0.0464 0.0584 356 ARG A CZ 2724 N NH1 . ARG A 356 ? 0.7110 0.7728 0.4779 -0.0192 -0.0507 0.0584 356 ARG A NH1 2725 N NH2 . ARG A 356 ? 0.7010 0.7511 0.4405 -0.0225 -0.0425 0.0502 356 ARG A NH2 2726 N N . ALA A 357 ? 0.6286 0.6694 0.4190 -0.0068 -0.0348 0.0988 357 ALA A N 2727 C CA . ALA A 357 ? 0.6201 0.6588 0.4129 -0.0088 -0.0269 0.1018 357 ALA A CA 2728 C C . ALA A 357 ? 0.6143 0.6499 0.4226 -0.0092 -0.0252 0.0984 357 ALA A C 2729 O O . ALA A 357 ? 0.6093 0.6464 0.4203 -0.0100 -0.0188 0.0948 357 ALA A O 2730 C CB . ALA A 357 ? 0.6398 0.6757 0.4288 -0.0098 -0.0268 0.1134 357 ALA A CB 2731 N N . GLN A 358 ? 0.5498 0.5810 0.3671 -0.0077 -0.0309 0.0992 358 GLN A N 2732 C CA . GLN A 358 ? 0.5208 0.5485 0.3515 -0.0077 -0.0302 0.0958 358 GLN A CA 2733 C C . GLN A 358 ? 0.5531 0.5845 0.3870 -0.0075 -0.0286 0.0859 358 GLN A C 2734 O O . GLN A 358 ? 0.5481 0.5782 0.3901 -0.0082 -0.0247 0.0829 358 GLN A O 2735 C CB . GLN A 358 ? 0.5384 0.5596 0.3751 -0.0051 -0.0368 0.0986 358 GLN A CB 2736 C CG . GLN A 358 ? 0.6445 0.6571 0.4789 -0.0063 -0.0380 0.1083 358 GLN A CG 2737 C CD . GLN A 358 ? 0.7197 0.7228 0.5568 -0.0024 -0.0445 0.1106 358 GLN A CD 2738 O OE1 . GLN A 358 ? 0.6913 0.6967 0.5263 0.0027 -0.0494 0.1091 358 GLN A OE1 2739 N NE2 . GLN A 358 ? 0.6595 0.6517 0.5004 -0.0044 -0.0448 0.1145 358 GLN A NE2 2740 N N . PHE A 359 ? 0.5125 0.5483 0.3395 -0.0071 -0.0316 0.0813 359 PHE A N 2741 C CA . PHE A 359 ? 0.4956 0.5333 0.3231 -0.0084 -0.0303 0.0721 359 PHE A CA 2742 C C . PHE A 359 ? 0.5550 0.5909 0.3754 -0.0096 -0.0225 0.0690 359 PHE A C 2743 O O . PHE A 359 ? 0.5557 0.5890 0.3809 -0.0097 -0.0188 0.0638 359 PHE A O 2744 C CB . PHE A 359 ? 0.5199 0.5635 0.3408 -0.0092 -0.0363 0.0687 359 PHE A CB 2745 C CG . PHE A 359 ? 0.5383 0.5825 0.3570 -0.0125 -0.0356 0.0595 359 PHE A CG 2746 C CD1 . PHE A 359 ? 0.5620 0.6050 0.3918 -0.0131 -0.0351 0.0552 359 PHE A CD1 2747 C CD2 . PHE A 359 ? 0.5651 0.6100 0.3693 -0.0154 -0.0358 0.0553 359 PHE A CD2 2748 C CE1 . PHE A 359 ? 0.5802 0.6223 0.4072 -0.0170 -0.0346 0.0474 359 PHE A CE1 2749 C CE2 . PHE A 359 ? 0.5981 0.6409 0.3987 -0.0195 -0.0358 0.0469 359 PHE A CE2 2750 C CZ . PHE A 359 ? 0.5696 0.6108 0.3817 -0.0205 -0.0352 0.0433 359 PHE A CZ 2751 N N . LEU A 360 ? 0.5608 0.5981 0.3695 -0.0096 -0.0197 0.0725 360 LEU A N 2752 C CA . LEU A 360 ? 0.5828 0.6191 0.3837 -0.0089 -0.0116 0.0700 360 LEU A CA 2753 C C . LEU A 360 ? 0.6263 0.6628 0.4386 -0.0078 -0.0057 0.0731 360 LEU A C 2754 O O . LEU A 360 ? 0.6290 0.6637 0.4418 -0.0062 -0.0002 0.0682 360 LEU A O 2755 C CB . LEU A 360 ? 0.6074 0.6465 0.3929 -0.0086 -0.0093 0.0737 360 LEU A CB 2756 C CG . LEU A 360 ? 0.7136 0.7544 0.4861 -0.0097 -0.0156 0.0731 360 LEU A CG 2757 C CD1 . LEU A 360 ? 0.7452 0.7879 0.5003 -0.0088 -0.0112 0.0755 360 LEU A CD1 2758 C CD2 . LEU A 360 ? 0.7229 0.7620 0.4919 -0.0119 -0.0201 0.0636 360 LEU A CD2 2759 N N . ALA A 361 ? 0.5590 0.5969 0.3799 -0.0088 -0.0073 0.0813 361 ALA A N 2760 C CA . ALA A 361 ? 0.5416 0.5810 0.3741 -0.0092 -0.0032 0.0850 361 ALA A CA 2761 C C . ALA A 361 ? 0.5713 0.6075 0.4151 -0.0085 -0.0043 0.0791 361 ALA A C 2762 O O . ALA A 361 ? 0.5584 0.5964 0.4079 -0.0074 0.0009 0.0781 361 ALA A O 2763 C CB . ALA A 361 ? 0.5561 0.5951 0.3933 -0.0119 -0.0063 0.0946 361 ALA A CB 2764 N N . GLY A 362 ? 0.4845 0.5169 0.3307 -0.0086 -0.0108 0.0755 362 GLY A N 2765 C CA . GLY A 362 ? 0.4575 0.4872 0.3130 -0.0081 -0.0123 0.0701 362 GLY A CA 2766 C C . GLY A 362 ? 0.5194 0.5478 0.3711 -0.0072 -0.0077 0.0626 362 GLY A C 2767 O O . GLY A 362 ? 0.5097 0.5364 0.3688 -0.0063 -0.0052 0.0601 362 GLY A O 2768 N N . VAL A 363 ? 0.4972 0.5249 0.3357 -0.0075 -0.0070 0.0589 363 VAL A N 2769 C CA . VAL A 363 ? 0.5096 0.5322 0.3404 -0.0068 -0.0028 0.0514 363 VAL A CA 2770 C C . VAL A 363 ? 0.5655 0.5881 0.3969 -0.0031 0.0057 0.0526 363 VAL A C 2771 O O . VAL A 363 ? 0.5619 0.5793 0.3941 -0.0012 0.0090 0.0478 363 VAL A O 2772 C CB . VAL A 363 ? 0.5609 0.5813 0.3752 -0.0086 -0.0045 0.0470 363 VAL A CB 2773 C CG1 . VAL A 363 ? 0.5603 0.5720 0.3627 -0.0074 0.0011 0.0397 363 VAL A CG1 2774 C CG2 . VAL A 363 ? 0.5507 0.5731 0.3667 -0.0124 -0.0129 0.0446 363 VAL A CG2 2775 N N . ARG A 364 ? 0.5534 0.5825 0.3847 -0.0019 0.0090 0.0596 364 ARG A N 2776 C CA . ARG A 364 ? 0.5550 0.5886 0.3887 0.0020 0.0171 0.0623 364 ARG A CA 2777 C C . ARG A 364 ? 0.5723 0.6079 0.4220 0.0023 0.0172 0.0639 364 ARG A C 2778 O O . ARG A 364 ? 0.5811 0.6177 0.4328 0.0065 0.0229 0.0625 364 ARG A O 2779 C CB . ARG A 364 ? 0.5315 0.5745 0.3630 0.0018 0.0201 0.0708 364 ARG A CB 2780 C CG . ARG A 364 ? 0.6503 0.6927 0.4644 0.0022 0.0211 0.0702 364 ARG A CG 2781 C CD . ARG A 364 ? 0.7590 0.7925 0.5576 0.0052 0.0236 0.0606 364 ARG A CD 2782 N NE . ARG A 364 ? 0.8030 0.8356 0.5985 0.0115 0.0324 0.0578 364 ARG A NE 2783 C CZ . ARG A 364 ? 0.9862 1.0217 0.7692 0.0165 0.0399 0.0585 364 ARG A CZ 2784 N NH1 . ARG A 364 ? 0.8236 0.8636 0.5962 0.0151 0.0396 0.0621 364 ARG A NH1 2785 N NH2 . ARG A 364 ? 0.7640 0.7984 0.5444 0.0238 0.0479 0.0558 364 ARG A NH2 2786 N N . ILE A 365 ? 0.5057 0.5416 0.3658 -0.0013 0.0107 0.0668 365 ILE A N 2787 C CA . ILE A 365 ? 0.4840 0.5206 0.3579 -0.0018 0.0094 0.0678 365 ILE A CA 2788 C C . ILE A 365 ? 0.5151 0.5443 0.3899 -0.0004 0.0084 0.0601 365 ILE A C 2789 O O . ILE A 365 ? 0.5034 0.5330 0.3851 0.0018 0.0110 0.0593 365 ILE A O 2790 C CB . ILE A 365 ? 0.5055 0.5423 0.3869 -0.0058 0.0028 0.0733 365 ILE A CB 2791 C CG1 . ILE A 365 ? 0.5204 0.5632 0.4004 -0.0083 0.0042 0.0819 365 ILE A CG1 2792 C CG2 . ILE A 365 ? 0.4783 0.5142 0.3721 -0.0065 0.0007 0.0735 365 ILE A CG2 2793 C CD1 . ILE A 365 ? 0.5961 0.6343 0.4770 -0.0120 -0.0028 0.0867 365 ILE A CD1 2794 N N . GLY A 366 ? 0.4839 0.5078 0.3522 -0.0020 0.0045 0.0553 366 GLY A N 2795 C CA . GLY A 366 ? 0.4885 0.5060 0.3571 -0.0024 0.0029 0.0486 366 GLY A CA 2796 C C . GLY A 366 ? 0.5679 0.5785 0.4271 -0.0001 0.0084 0.0431 366 GLY A C 2797 O O . GLY A 366 ? 0.5790 0.5836 0.4400 0.0000 0.0088 0.0389 366 GLY A O 2798 N N . VAL A 367 ? 0.5202 0.5301 0.3677 0.0021 0.0128 0.0428 367 VAL A N 2799 C CA . VAL A 367 ? 0.5227 0.5234 0.3584 0.0057 0.0187 0.0373 367 VAL A CA 2800 C C . VAL A 367 ? 0.5761 0.5836 0.4116 0.0118 0.0261 0.0421 367 VAL A C 2801 O O . VAL A 367 ? 0.5745 0.5824 0.3980 0.0139 0.0296 0.0420 367 VAL A O 2802 C CB . VAL A 367 ? 0.5797 0.5713 0.3982 0.0026 0.0168 0.0309 367 VAL A CB 2803 C CG1 . VAL A 367 ? 0.5894 0.5662 0.3953 0.0054 0.0216 0.0239 367 VAL A CG1 2804 C CG2 . VAL A 367 ? 0.5620 0.5545 0.3844 -0.0043 0.0083 0.0290 367 VAL A CG2 2805 N N . PRO A 368 ? 0.5450 0.5603 0.3946 0.0142 0.0281 0.0470 368 PRO A N 2806 C CA . PRO A 368 ? 0.5424 0.5694 0.3950 0.0189 0.0344 0.0532 368 PRO A CA 2807 C C . PRO A 368 ? 0.6243 0.6479 0.4649 0.0271 0.0431 0.0504 368 PRO A C 2808 O O . PRO A 368 ? 0.6424 0.6770 0.4820 0.0309 0.0486 0.0554 368 PRO A O 2809 C CB . PRO A 368 ? 0.5486 0.5836 0.4186 0.0187 0.0333 0.0579 368 PRO A CB 2810 C CG . PRO A 368 ? 0.5864 0.6107 0.4585 0.0174 0.0295 0.0523 368 PRO A CG 2811 C CD . PRO A 368 ? 0.5350 0.5509 0.3986 0.0124 0.0243 0.0477 368 PRO A CD 2812 N N . GLN A 369 ? 0.6039 0.6120 0.4348 0.0299 0.0443 0.0428 369 GLN A N 2813 C CA A GLN A 369 ? 0.6260 0.6249 0.4422 0.0387 0.0523 0.0385 369 GLN A CA 2814 C CA B GLN A 369 ? 0.6253 0.6253 0.4422 0.0388 0.0524 0.0390 369 GLN A CA 2815 C C . GLN A 369 ? 0.7255 0.7159 0.5215 0.0384 0.0534 0.0338 369 GLN A C 2816 O O . GLN A 369 ? 0.7649 0.7491 0.5464 0.0465 0.0607 0.0310 369 GLN A O 2817 C CB A GLN A 369 ? 0.6437 0.6255 0.4560 0.0407 0.0523 0.0323 369 GLN A CB 2818 C CB B GLN A 369 ? 0.6411 0.6265 0.4566 0.0420 0.0532 0.0340 369 GLN A CB 2819 C CG A GLN A 369 ? 0.6734 0.6378 0.4737 0.0332 0.0466 0.0245 369 GLN A CG 2820 C CG B GLN A 369 ? 0.6327 0.6287 0.4652 0.0467 0.0553 0.0395 369 GLN A CG 2821 C CD A GLN A 369 ? 0.7011 0.6672 0.5148 0.0250 0.0388 0.0249 369 GLN A CD 2822 C CD B GLN A 369 ? 0.6219 0.6302 0.4741 0.0396 0.0486 0.0447 369 GLN A CD 2823 O OE1 A GLN A 369 ? 0.4452 0.4249 0.2721 0.0205 0.0341 0.0299 369 GLN A OE1 2824 O OE1 B GLN A 369 ? 0.3925 0.3939 0.2496 0.0349 0.0433 0.0423 369 GLN A OE1 2825 N NE2 A GLN A 369 ? 0.6929 0.6443 0.5021 0.0233 0.0376 0.0198 369 GLN A NE2 2826 N NE2 B GLN A 369 ? 0.4699 0.4967 0.3339 0.0395 0.0494 0.0524 369 GLN A NE2 2827 N N . ALA A 370 ? 0.6874 0.6774 0.4812 0.0296 0.0461 0.0329 370 ALA A N 2828 C CA . ALA A 370 ? 0.6894 0.6721 0.4637 0.0280 0.0457 0.0284 370 ALA A CA 2829 C C . ALA A 370 ? 0.7600 0.7535 0.5278 0.0329 0.0517 0.0330 370 ALA A C 2830 O O . ALA A 370 ? 0.7466 0.7568 0.5266 0.0313 0.0513 0.0415 370 ALA A O 2831 C CB . ALA A 370 ? 0.6859 0.6688 0.4615 0.0180 0.0360 0.0274 370 ALA A CB 2832 N N . SER A 371 ? 0.7359 0.7181 0.4820 0.0381 0.0568 0.0271 371 SER A N 2833 C CA . SER A 371 ? 0.7419 0.7317 0.4763 0.0429 0.0627 0.0299 371 SER A CA 2834 C C . SER A 371 ? 0.7813 0.7751 0.5122 0.0339 0.0550 0.0314 371 SER A C 2835 O O . SER A 371 ? 0.7490 0.7385 0.4852 0.0256 0.0460 0.0293 371 SER A O 2836 C CB . SER A 371 ? 0.8151 0.7870 0.5241 0.0506 0.0690 0.0211 371 SER A CB 2837 O OG . SER A 371 ? 0.8948 0.8467 0.5879 0.0438 0.0624 0.0117 371 SER A OG 2838 N N . ASP A 372 ? 0.7495 0.7522 0.4711 0.0361 0.0587 0.0355 372 ASP A N 2839 C CA . ASP A 372 ? 0.7525 0.7592 0.4685 0.0289 0.0521 0.0376 372 ASP A CA 2840 C C . ASP A 372 ? 0.8000 0.7898 0.4990 0.0238 0.0454 0.0277 372 ASP A C 2841 O O . ASP A 372 ? 0.7804 0.7724 0.4842 0.0158 0.0362 0.0286 372 ASP A O 2842 C CB . ASP A 372 ? 0.7898 0.8078 0.4958 0.0332 0.0587 0.0435 372 ASP A CB 2843 C CG . ASP A 372 ? 0.9175 0.9559 0.6425 0.0338 0.0623 0.0557 372 ASP A CG 2844 O OD1 . ASP A 372 ? 0.8953 0.9383 0.6397 0.0336 0.0622 0.0585 372 ASP A OD1 2845 O OD2 . ASP A 372 ? 1.0573 1.1070 0.7774 0.0337 0.0651 0.0626 372 ASP A OD2 2846 N N . LEU A 373 ? 0.7774 0.7503 0.4568 0.0283 0.0496 0.0184 373 LEU A N 2847 C CA . LEU A 373 ? 0.7788 0.7338 0.4397 0.0224 0.0434 0.0083 373 LEU A CA 2848 C C . LEU A 373 ? 0.7789 0.7274 0.4525 0.0147 0.0356 0.0051 373 LEU A C 2849 O O . LEU A 373 ? 0.7655 0.7122 0.4359 0.0057 0.0266 0.0021 373 LEU A O 2850 C CB . LEU A 373 ? 0.8038 0.7395 0.4382 0.0297 0.0506 -0.0007 373 LEU A CB 2851 C CG . LEU A 373 ? 0.8764 0.7909 0.4871 0.0229 0.0443 -0.0119 373 LEU A CG 2852 C CD1 . LEU A 373 ? 0.8712 0.7928 0.4703 0.0166 0.0380 -0.0113 373 LEU A CD1 2853 C CD2 . LEU A 373 ? 0.9247 0.8167 0.5102 0.0314 0.0522 -0.0208 373 LEU A CD2 2854 N N . ALA A 374 ? 0.7040 0.6511 0.3923 0.0183 0.0390 0.0061 374 ALA A N 2855 C CA . ALA A 374 ? 0.6765 0.6191 0.3781 0.0117 0.0327 0.0041 374 ALA A CA 2856 C C . ALA A 374 ? 0.6936 0.6530 0.4142 0.0047 0.0246 0.0108 374 ALA A C 2857 O O . ALA A 374 ? 0.6849 0.6420 0.4083 -0.0033 0.0167 0.0078 374 ALA A O 2858 C CB . ALA A 374 ? 0.6770 0.6168 0.3900 0.0183 0.0387 0.0053 374 ALA A CB 2859 N N . ALA A 375 ? 0.6417 0.6176 0.3744 0.0077 0.0266 0.0199 375 ALA A N 2860 C CA . ALA A 375 ? 0.6242 0.6136 0.3732 0.0025 0.0194 0.0267 375 ALA A CA 2861 C C . ALA A 375 ? 0.6839 0.6747 0.4219 -0.0033 0.0122 0.0253 375 ALA A C 2862 O O . ALA A 375 ? 0.6754 0.6715 0.4230 -0.0087 0.0042 0.0268 375 ALA A O 2863 C CB . ALA A 375 ? 0.6179 0.6212 0.3785 0.0063 0.0235 0.0365 375 ALA A CB 2864 N N . GLU A 376 ? 0.6402 0.6268 0.3574 -0.0015 0.0150 0.0226 376 GLU A N 2865 C CA A GLU A 376 ? 0.6436 0.6319 0.3491 -0.0070 0.0076 0.0212 376 GLU A CA 2866 C CA B GLU A 376 ? 0.6424 0.6300 0.3463 -0.0067 0.0081 0.0209 376 GLU A CA 2867 C C . GLU A 376 ? 0.6739 0.6521 0.3728 -0.0142 0.0009 0.0123 376 GLU A C 2868 O O . GLU A 376 ? 0.6603 0.6459 0.3628 -0.0204 -0.0079 0.0133 376 GLU A O 2869 C CB A GLU A 376 ? 0.6878 0.6763 0.3728 -0.0037 0.0116 0.0217 376 GLU A CB 2870 C CB B GLU A 376 ? 0.6867 0.6711 0.3679 -0.0025 0.0136 0.0195 376 GLU A CB 2871 C CG A GLU A 376 ? 0.8475 0.8512 0.5378 -0.0035 0.0097 0.0320 376 GLU A CG 2872 C CG B GLU A 376 ? 0.8417 0.8403 0.5282 0.0019 0.0180 0.0300 376 GLU A CG 2873 C CD A GLU A 376 ? 0.9842 0.9963 0.6848 -0.0094 -0.0009 0.0361 376 GLU A CD 2874 C CD B GLU A 376 ? 1.0598 1.0591 0.7252 0.0060 0.0234 0.0305 376 GLU A CD 2875 O OE1 A GLU A 376 ? 0.7133 0.7345 0.4307 -0.0087 -0.0020 0.0448 376 GLU A OE1 2876 O OE1 B GLU A 376 ? 0.8825 0.8704 0.5306 0.0108 0.0299 0.0233 376 GLU A OE1 2877 O OE2 A GLU A 376 ? 0.7394 0.7489 0.4310 -0.0147 -0.0083 0.0307 376 GLU A OE2 2878 O OE2 B GLU A 376 ? 1.0051 1.0158 0.6708 0.0052 0.0218 0.0387 376 GLU A OE2 2879 N N . ALA A 377 ? 0.6322 0.5944 0.3239 -0.0135 0.0048 0.0046 377 ALA A N 2880 C CA . ALA A 377 ? 0.6304 0.5819 0.3170 -0.0218 -0.0014 -0.0033 377 ALA A CA 2881 C C . ALA A 377 ? 0.6464 0.6097 0.3565 -0.0270 -0.0082 0.0007 377 ALA A C 2882 O O . ALA A 377 ? 0.6310 0.5979 0.3407 -0.0353 -0.0165 -0.0017 377 ALA A O 2883 C CB . ALA A 377 ? 0.6484 0.5792 0.3246 -0.0191 0.0049 -0.0107 377 ALA A CB 2884 N N . VAL A 378 ? 0.5818 0.5523 0.3117 -0.0219 -0.0045 0.0069 378 VAL A N 2885 C CA . VAL A 378 ? 0.5504 0.5313 0.3019 -0.0248 -0.0096 0.0108 378 VAL A CA 2886 C C . VAL A 378 ? 0.5956 0.5919 0.3524 -0.0274 -0.0173 0.0161 378 VAL A C 2887 O O . VAL A 378 ? 0.5792 0.5821 0.3421 -0.0332 -0.0246 0.0152 378 VAL A O 2888 C CB . VAL A 378 ? 0.5701 0.5544 0.3388 -0.0184 -0.0041 0.0162 378 VAL A CB 2889 C CG1 . VAL A 378 ? 0.5490 0.5441 0.3376 -0.0207 -0.0097 0.0204 378 VAL A CG1 2890 C CG2 . VAL A 378 ? 0.5649 0.5351 0.3302 -0.0153 0.0026 0.0115 378 VAL A CG2 2891 N N . VAL A 379 ? 0.5785 0.5812 0.3330 -0.0230 -0.0154 0.0221 379 VAL A N 2892 C CA . VAL A 379 ? 0.5896 0.6050 0.3468 -0.0239 -0.0219 0.0282 379 VAL A CA 2893 C C . VAL A 379 ? 0.6666 0.6839 0.4110 -0.0304 -0.0294 0.0235 379 VAL A C 2894 O O . VAL A 379 ? 0.6690 0.6975 0.4217 -0.0331 -0.0372 0.0261 379 VAL A O 2895 C CB . VAL A 379 ? 0.6290 0.6479 0.3817 -0.0186 -0.0173 0.0353 379 VAL A CB 2896 C CG1 . VAL A 379 ? 0.6263 0.6543 0.3736 -0.0198 -0.0238 0.0403 379 VAL A CG1 2897 C CG2 . VAL A 379 ? 0.6055 0.6275 0.3753 -0.0144 -0.0132 0.0421 379 VAL A CG2 2898 N N . LEU A 380 ? 0.6429 0.6492 0.3674 -0.0326 -0.0274 0.0165 380 LEU A N 2899 C CA . LEU A 380 ? 0.6757 0.6831 0.3860 -0.0399 -0.0350 0.0116 380 LEU A CA 2900 C C . LEU A 380 ? 0.6732 0.6818 0.3911 -0.0481 -0.0413 0.0069 380 LEU A C 2901 O O . LEU A 380 ? 0.6601 0.6804 0.3787 -0.0541 -0.0501 0.0072 380 LEU A O 2902 C CB . LEU A 380 ? 0.7197 0.7131 0.4038 -0.0399 -0.0311 0.0051 380 LEU A CB 2903 C CG . LEU A 380 ? 0.8127 0.8078 0.4874 -0.0322 -0.0250 0.0102 380 LEU A CG 2904 C CD1 . LEU A 380 ? 0.8441 0.8236 0.4927 -0.0307 -0.0195 0.0027 380 LEU A CD1 2905 C CD2 . LEU A 380 ? 0.8885 0.8984 0.5620 -0.0329 -0.0316 0.0170 380 LEU A CD2 2906 N N . HIS A 381 ? 0.6063 0.6052 0.3315 -0.0483 -0.0368 0.0037 381 HIS A N 2907 C CA . HIS A 381 ? 0.6002 0.6003 0.3336 -0.0562 -0.0416 0.0002 381 HIS A CA 2908 C C . HIS A 381 ? 0.6093 0.6295 0.3657 -0.0557 -0.0469 0.0070 381 HIS A C 2909 O O . HIS A 381 ? 0.6018 0.6323 0.3630 -0.0630 -0.0541 0.0060 381 HIS A O 2910 C CB . HIS A 381 ? 0.6024 0.5855 0.3365 -0.0552 -0.0346 -0.0042 381 HIS A CB 2911 C CG . HIS A 381 ? 0.6368 0.6193 0.3776 -0.0640 -0.0387 -0.0076 381 HIS A CG 2912 N ND1 . HIS A 381 ? 0.6825 0.6535 0.4072 -0.0742 -0.0424 -0.0151 381 HIS A ND1 2913 C CD2 . HIS A 381 ? 0.6372 0.6293 0.3983 -0.0644 -0.0397 -0.0041 381 HIS A CD2 2914 C CE1 . HIS A 381 ? 0.6659 0.6408 0.4024 -0.0811 -0.0453 -0.0154 381 HIS A CE1 2915 N NE2 . HIS A 381 ? 0.6441 0.6322 0.4027 -0.0750 -0.0435 -0.0089 381 HIS A NE2 2916 N N . TYR A 382 ? 0.5488 0.5741 0.3185 -0.0471 -0.0432 0.0139 382 TYR A N 2917 C CA . TYR A 382 ? 0.5206 0.5610 0.3105 -0.0447 -0.0469 0.0200 382 TYR A CA 2918 C C . TYR A 382 ? 0.5679 0.6233 0.3598 -0.0421 -0.0531 0.0262 382 TYR A C 2919 O O . TYR A 382 ? 0.5543 0.6229 0.3605 -0.0405 -0.0577 0.0304 382 TYR A O 2920 C CB . TYR A 382 ? 0.5055 0.5414 0.3081 -0.0376 -0.0404 0.0235 382 TYR A CB 2921 C CG . TYR A 382 ? 0.5049 0.5323 0.3127 -0.0402 -0.0369 0.0189 382 TYR A CG 2922 C CD1 . TYR A 382 ? 0.5315 0.5423 0.3279 -0.0404 -0.0305 0.0138 382 TYR A CD1 2923 C CD2 . TYR A 382 ? 0.4823 0.5181 0.3052 -0.0418 -0.0397 0.0199 382 TYR A CD2 2924 C CE1 . TYR A 382 ? 0.5112 0.5128 0.3112 -0.0422 -0.0274 0.0102 382 TYR A CE1 2925 C CE2 . TYR A 382 ? 0.4890 0.5170 0.3158 -0.0444 -0.0365 0.0162 382 TYR A CE2 2926 C CZ . TYR A 382 ? 0.5784 0.5886 0.3937 -0.0447 -0.0304 0.0116 382 TYR A CZ 2927 O OH . TYR A 382 ? 0.5574 0.5586 0.3756 -0.0467 -0.0273 0.0086 382 TYR A OH 2928 N N . THR A 383 ? 0.5343 0.5877 0.3112 -0.0411 -0.0533 0.0273 383 THR A N 2929 C CA . THR A 383 ? 0.5333 0.6000 0.3094 -0.0389 -0.0597 0.0334 383 THR A CA 2930 C C . THR A 383 ? 0.6151 0.6951 0.3910 -0.0459 -0.0687 0.0309 383 THR A C 2931 O O . THR A 383 ? 0.6446 0.7195 0.4098 -0.0542 -0.0701 0.0236 383 THR A O 2932 C CB . THR A 383 ? 0.5568 0.6178 0.3151 -0.0366 -0.0572 0.0351 383 THR A CB 2933 O OG1 . THR A 383 ? 0.5841 0.6373 0.3464 -0.0302 -0.0493 0.0392 383 THR A OG1 2934 C CG2 . THR A 383 ? 0.5219 0.5958 0.2764 -0.0348 -0.0643 0.0414 383 THR A CG2 2935 N N . ASP A 384 ? 0.5826 0.6796 0.3697 -0.0425 -0.0750 0.0373 384 ASP A N 2936 C CA . ASP A 384 ? 0.5978 0.7130 0.3859 -0.0475 -0.0845 0.0373 384 ASP A CA 2937 C C . ASP A 384 ? 0.6728 0.7901 0.4445 -0.0464 -0.0881 0.0401 384 ASP A C 2938 O O . ASP A 384 ? 0.6795 0.8006 0.4532 -0.0382 -0.0887 0.0480 384 ASP A O 2939 C CB . ASP A 384 ? 0.6121 0.7450 0.4199 -0.0416 -0.0886 0.0438 384 ASP A CB 2940 C CG . ASP A 384 ? 0.7433 0.8996 0.5546 -0.0461 -0.0984 0.0448 384 ASP A CG 2941 O OD1 . ASP A 384 ? 0.7437 0.9027 0.5409 -0.0541 -0.1032 0.0412 384 ASP A OD1 2942 O OD2 . ASP A 384 ? 0.8276 1.0001 0.6553 -0.0414 -0.1014 0.0492 384 ASP A OD2 2943 N N . TRP A 385 ? 0.6405 0.7534 0.3943 -0.0547 -0.0903 0.0337 385 TRP A N 2944 C CA . TRP A 385 ? 0.6394 0.7526 0.3747 -0.0541 -0.0931 0.0354 385 TRP A CA 2945 C C . TRP A 385 ? 0.6974 0.8330 0.4357 -0.0529 -0.1034 0.0417 385 TRP A C 2946 O O . TRP A 385 ? 0.7097 0.8470 0.4346 -0.0502 -0.1057 0.0455 385 TRP A O 2947 C CB . TRP A 385 ? 0.6366 0.7354 0.3497 -0.0625 -0.0918 0.0258 385 TRP A CB 2948 C CG . TRP A 385 ? 0.6292 0.7064 0.3371 -0.0590 -0.0805 0.0223 385 TRP A CG 2949 C CD1 . TRP A 385 ? 0.6536 0.7179 0.3653 -0.0623 -0.0754 0.0159 385 TRP A CD1 2950 C CD2 . TRP A 385 ? 0.6312 0.7003 0.3341 -0.0503 -0.0729 0.0270 385 TRP A CD2 2951 N NE1 . TRP A 385 ? 0.6425 0.6915 0.3507 -0.0556 -0.0651 0.0159 385 TRP A NE1 2952 C CE2 . TRP A 385 ? 0.6738 0.7262 0.3767 -0.0487 -0.0634 0.0226 385 TRP A CE2 2953 C CE3 . TRP A 385 ? 0.6662 0.7409 0.3637 -0.0441 -0.0732 0.0351 385 TRP A CE3 2954 C CZ2 . TRP A 385 ? 0.6826 0.7269 0.3829 -0.0410 -0.0543 0.0263 385 TRP A CZ2 2955 C CZ3 . TRP A 385 ? 0.6961 0.7611 0.3903 -0.0374 -0.0641 0.0388 385 TRP A CZ3 2956 C CH2 . TRP A 385 ? 0.7025 0.7537 0.3987 -0.0360 -0.0547 0.0345 385 TRP A CH2 2957 N N . LEU A 386 ? 0.6746 0.8280 0.4313 -0.0532 -0.1088 0.0442 386 LEU A N 2958 C CA . LEU A 386 ? 0.6873 0.8642 0.4502 -0.0494 -0.1180 0.0515 386 LEU A CA 2959 C C . LEU A 386 ? 0.7368 0.9132 0.5092 -0.0355 -0.1153 0.0613 386 LEU A C 2960 O O . LEU A 386 ? 0.7404 0.9279 0.5104 -0.0294 -0.1208 0.0687 386 LEU A O 2961 C CB . LEU A 386 ? 0.6849 0.8831 0.4645 -0.0547 -0.1242 0.0504 386 LEU A CB 2962 C CG . LEU A 386 ? 0.7700 0.9885 0.5434 -0.0646 -0.1351 0.0486 386 LEU A CG 2963 C CD1 . LEU A 386 ? 0.7583 1.0030 0.5526 -0.0667 -0.1407 0.0509 386 LEU A CD1 2964 C CD2 . LEU A 386 ? 0.7999 1.0279 0.5609 -0.0594 -0.1417 0.0550 386 LEU A CD2 2965 N N . HIS A 387 ? 0.6833 0.8465 0.4663 -0.0308 -0.1072 0.0615 387 HIS A N 2966 C CA . HIS A 387 ? 0.6602 0.8187 0.4514 -0.0190 -0.1043 0.0698 387 HIS A CA 2967 C C . HIS A 387 ? 0.6604 0.7961 0.4476 -0.0183 -0.0943 0.0681 387 HIS A C 2968 O O . HIS A 387 ? 0.6351 0.7642 0.4346 -0.0157 -0.0896 0.0675 387 HIS A O 2969 C CB . HIS A 387 ? 0.6518 0.8223 0.4637 -0.0138 -0.1062 0.0721 387 HIS A CB 2970 C CG . HIS A 387 ? 0.7004 0.8968 0.5187 -0.0160 -0.1152 0.0727 387 HIS A CG 2971 N ND1 . HIS A 387 ? 0.7259 0.9328 0.5517 -0.0255 -0.1167 0.0662 387 HIS A ND1 2972 C CD2 . HIS A 387 ? 0.7392 0.9533 0.5569 -0.0106 -0.1231 0.0795 387 HIS A CD2 2973 C CE1 . HIS A 387 ? 0.7197 0.9522 0.5506 -0.0259 -0.1255 0.0693 387 HIS A CE1 2974 N NE2 . HIS A 387 ? 0.7340 0.9722 0.5603 -0.0165 -0.1296 0.0772 387 HIS A NE2 2975 N N . PRO A 388 ? 0.6277 0.7523 0.3974 -0.0207 -0.0909 0.0671 388 PRO A N 2976 C CA . PRO A 388 ? 0.6121 0.7183 0.3791 -0.0203 -0.0810 0.0652 388 PRO A CA 2977 C C . PRO A 388 ? 0.6432 0.7415 0.4184 -0.0126 -0.0767 0.0731 388 PRO A C 2978 O O . PRO A 388 ? 0.6074 0.6938 0.3854 -0.0127 -0.0691 0.0715 388 PRO A O 2979 C CB . PRO A 388 ? 0.6470 0.7472 0.3924 -0.0239 -0.0791 0.0629 388 PRO A CB 2980 C CG . PRO A 388 ? 0.7188 0.8320 0.4561 -0.0230 -0.0877 0.0677 388 PRO A CG 2981 C CD . PRO A 388 ? 0.6597 0.7892 0.4110 -0.0239 -0.0956 0.0673 388 PRO A CD 2982 N N . GLU A 389 ? 0.6220 0.7263 0.4002 -0.0060 -0.0818 0.0815 389 GLU A N 2983 C CA . GLU A 389 ? 0.6173 0.7118 0.4005 0.0007 -0.0790 0.0896 389 GLU A CA 2984 C C . GLU A 389 ? 0.6352 0.7330 0.4346 0.0068 -0.0821 0.0917 389 GLU A C 2985 O O . GLU A 389 ? 0.6319 0.7195 0.4348 0.0123 -0.0806 0.0978 389 GLU A O 2986 C CB . GLU A 389 ? 0.6495 0.7430 0.4198 0.0043 -0.0816 0.0986 389 GLU A CB 2987 C CG . GLU A 389 ? 0.8371 0.9286 0.5896 -0.0008 -0.0786 0.0968 389 GLU A CG 2988 C CD . GLU A 389 ? 1.2852 1.3652 1.0296 0.0003 -0.0722 0.1036 389 GLU A CD 2989 O OE1 . GLU A 389 ? 1.0365 1.1070 0.7877 -0.0007 -0.0650 0.1028 389 GLU A OE1 2990 O OE2 . GLU A 389 ? 1.4182 1.4997 1.1490 0.0017 -0.0743 0.1100 389 GLU A OE2 2991 N N . ASP A 390 ? 0.5580 0.6695 0.3665 0.0056 -0.0863 0.0869 390 ASP A N 2992 C CA . ASP A 390 ? 0.5413 0.6583 0.3648 0.0121 -0.0886 0.0883 390 ASP A CA 2993 C C . ASP A 390 ? 0.5289 0.6313 0.3614 0.0129 -0.0818 0.0863 390 ASP A C 2994 O O . ASP A 390 ? 0.5110 0.6108 0.3467 0.0066 -0.0774 0.0794 390 ASP A O 2995 C CB . ASP A 390 ? 0.5625 0.6998 0.3944 0.0090 -0.0935 0.0835 390 ASP A CB 2996 C CG . ASP A 390 ? 0.6674 0.8122 0.5143 0.0172 -0.0953 0.0857 390 ASP A CG 2997 O OD1 . ASP A 390 ? 0.7519 0.9029 0.5995 0.0264 -0.1000 0.0926 390 ASP A OD1 2998 O OD2 . ASP A 390 ? 0.7174 0.8591 0.5741 0.0156 -0.0913 0.0812 390 ASP A OD2 2999 N N . PRO A 391 ? 0.4988 0.5908 0.3343 0.0205 -0.0815 0.0924 391 PRO A N 3000 C CA . PRO A 391 ? 0.4931 0.5707 0.3355 0.0206 -0.0758 0.0909 391 PRO A CA 3001 C C . PRO A 391 ? 0.5356 0.6184 0.3909 0.0202 -0.0744 0.0845 391 PRO A C 3002 O O . PRO A 391 ? 0.5225 0.5959 0.3815 0.0166 -0.0690 0.0809 391 PRO A O 3003 C CB . PRO A 391 ? 0.5257 0.5913 0.3663 0.0289 -0.0777 0.0989 391 PRO A CB 3004 C CG . PRO A 391 ? 0.6092 0.6791 0.4394 0.0317 -0.0824 0.1052 391 PRO A CG 3005 C CD . PRO A 391 ? 0.5467 0.6373 0.3773 0.0291 -0.0864 0.1012 391 PRO A CD 3006 N N . THR A 392 ? 0.5178 0.6167 0.3803 0.0239 -0.0791 0.0836 392 THR A N 3007 C CA . THR A 392 ? 0.5059 0.6124 0.3809 0.0233 -0.0777 0.0782 392 THR A CA 3008 C C . THR A 392 ? 0.5420 0.6523 0.4163 0.0123 -0.0749 0.0710 392 THR A C 3009 O O . THR A 392 ? 0.5083 0.6131 0.3885 0.0094 -0.0703 0.0665 392 THR A O 3010 C CB . THR A 392 ? 0.5961 0.7222 0.4789 0.0301 -0.0833 0.0802 392 THR A CB 3011 O OG1 . THR A 392 ? 0.5598 0.6792 0.4409 0.0417 -0.0856 0.0869 392 THR A OG1 3012 C CG2 . THR A 392 ? 0.5612 0.6967 0.4569 0.0297 -0.0813 0.0754 392 THR A CG2 3013 N N . HIS A 393 ? 0.5447 0.6631 0.4104 0.0064 -0.0778 0.0699 393 HIS A N 3014 C CA . HIS A 393 ? 0.5591 0.6770 0.4212 -0.0039 -0.0753 0.0626 393 HIS A CA 3015 C C . HIS A 393 ? 0.5380 0.6369 0.3948 -0.0064 -0.0679 0.0604 393 HIS A C 3016 O O . HIS A 393 ? 0.5304 0.6250 0.3899 -0.0112 -0.0640 0.0548 393 HIS A O 3017 C CB . HIS A 393 ? 0.6056 0.7337 0.4573 -0.0104 -0.0802 0.0610 393 HIS A CB 3018 C CG . HIS A 393 ? 0.6815 0.8019 0.5256 -0.0206 -0.0766 0.0531 393 HIS A CG 3019 N ND1 . HIS A 393 ? 0.7160 0.8412 0.5668 -0.0273 -0.0764 0.0474 393 HIS A ND1 3020 C CD2 . HIS A 393 ? 0.7257 0.8315 0.5562 -0.0238 -0.0721 0.0505 393 HIS A CD2 3021 C CE1 . HIS A 393 ? 0.7157 0.8277 0.5554 -0.0343 -0.0726 0.0414 393 HIS A CE1 3022 N NE2 . HIS A 393 ? 0.7277 0.8282 0.5553 -0.0318 -0.0696 0.0428 393 HIS A NE2 3023 N N . LEU A 394 ? 0.4875 0.5762 0.3363 -0.0033 -0.0661 0.0652 394 LEU A N 3024 C CA . LEU A 394 ? 0.4745 0.5482 0.3191 -0.0051 -0.0589 0.0644 394 LEU A CA 3025 C C . LEU A 394 ? 0.5112 0.5777 0.3672 -0.0032 -0.0549 0.0633 394 LEU A C 3026 O O . LEU A 394 ? 0.5049 0.5647 0.3612 -0.0067 -0.0494 0.0591 394 LEU A O 3027 C CB . LEU A 394 ? 0.4791 0.5466 0.3145 -0.0024 -0.0585 0.0715 394 LEU A CB 3028 C CG . LEU A 394 ? 0.5485 0.6215 0.3697 -0.0048 -0.0613 0.0722 394 LEU A CG 3029 C CD1 . LEU A 394 ? 0.5656 0.6343 0.3792 -0.0010 -0.0620 0.0809 394 LEU A CD1 3030 C CD2 . LEU A 394 ? 0.5614 0.6303 0.3729 -0.0110 -0.0564 0.0656 394 LEU A CD2 3031 N N . ARG A 395 ? 0.4774 0.5453 0.3420 0.0028 -0.0578 0.0668 395 ARG A N 3032 C CA . ARG A 395 ? 0.4688 0.5304 0.3434 0.0052 -0.0550 0.0656 395 ARG A CA 3033 C C . ARG A 395 ? 0.5149 0.5822 0.3959 0.0010 -0.0531 0.0587 395 ARG A C 3034 O O . ARG A 395 ? 0.5063 0.5659 0.3897 -0.0013 -0.0481 0.0558 395 ARG A O 3035 C CB . ARG A 395 ? 0.4862 0.5485 0.3661 0.0134 -0.0591 0.0700 395 ARG A CB 3036 C CG . ARG A 395 ? 0.4828 0.5379 0.3713 0.0163 -0.0568 0.0684 395 ARG A CG 3037 C CD . ARG A 395 ? 0.5788 0.6461 0.4757 0.0203 -0.0591 0.0659 395 ARG A CD 3038 N NE . ARG A 395 ? 0.5893 0.6565 0.4867 0.0298 -0.0632 0.0705 395 ARG A NE 3039 C CZ . ARG A 395 ? 0.6691 0.7515 0.5712 0.0355 -0.0669 0.0711 395 ARG A CZ 3040 N NH1 . ARG A 395 ? 0.5004 0.6006 0.4079 0.0308 -0.0674 0.0676 395 ARG A NH1 3041 N NH2 . ARG A 395 ? 0.6207 0.7006 0.5220 0.0459 -0.0700 0.0755 395 ARG A NH2 3042 N N . ASP A 396 ? 0.4798 0.5611 0.3629 -0.0005 -0.0571 0.0567 396 ASP A N 3043 C CA . ASP A 396 ? 0.4820 0.5697 0.3707 -0.0058 -0.0561 0.0510 396 ASP A CA 3044 C C . ASP A 396 ? 0.5222 0.6023 0.4024 -0.0138 -0.0523 0.0458 396 ASP A C 3045 O O . ASP A 396 ? 0.4949 0.5707 0.3784 -0.0171 -0.0487 0.0417 396 ASP A O 3046 C CB . ASP A 396 ? 0.5050 0.6122 0.3983 -0.0062 -0.0620 0.0513 396 ASP A CB 3047 C CG . ASP A 396 ? 0.5386 0.6540 0.4410 0.0035 -0.0649 0.0559 396 ASP A CG 3048 O OD1 . ASP A 396 ? 0.5404 0.6447 0.4460 0.0093 -0.0620 0.0572 396 ASP A OD1 3049 O OD2 . ASP A 396 ? 0.6732 0.8057 0.5787 0.0055 -0.0701 0.0580 396 ASP A OD2 3050 N N . ALA A 397 ? 0.4807 0.5578 0.3488 -0.0161 -0.0528 0.0462 397 ALA A N 3051 C CA . ALA A 397 ? 0.4725 0.5401 0.3297 -0.0220 -0.0488 0.0411 397 ALA A CA 3052 C C . ALA A 397 ? 0.5289 0.5833 0.3874 -0.0195 -0.0416 0.0411 397 ALA A C 3053 O O . ALA A 397 ? 0.5344 0.5811 0.3903 -0.0226 -0.0373 0.0364 397 ALA A O 3054 C CB . ALA A 397 ? 0.4871 0.5549 0.3301 -0.0235 -0.0507 0.0420 397 ALA A CB 3055 N N . MET A 398 ? 0.4949 0.5465 0.3572 -0.0139 -0.0406 0.0468 398 MET A N 3056 C CA . MET A 398 ? 0.4811 0.5233 0.3462 -0.0120 -0.0346 0.0479 398 MET A CA 3057 C C . MET A 398 ? 0.5089 0.5492 0.3838 -0.0121 -0.0326 0.0447 398 MET A C 3058 O O . MET A 398 ? 0.4836 0.5170 0.3579 -0.0129 -0.0274 0.0422 398 MET A O 3059 C CB . MET A 398 ? 0.5017 0.5418 0.3693 -0.0077 -0.0354 0.0550 398 MET A CB 3060 C CG . MET A 398 ? 0.5259 0.5587 0.3953 -0.0072 -0.0297 0.0571 398 MET A CG 3061 S SD . MET A 398 ? 0.5768 0.6072 0.4342 -0.0092 -0.0235 0.0560 398 MET A SD 3062 C CE . MET A 398 ? 0.5208 0.5464 0.3820 -0.0097 -0.0179 0.0498 398 MET A CE 3063 N N . SER A 399 ? 0.4743 0.5215 0.3578 -0.0105 -0.0367 0.0450 399 SER A N 3064 C CA . SER A 399 ? 0.4672 0.5143 0.3597 -0.0104 -0.0351 0.0424 399 SER A CA 3065 C C . SER A 399 ? 0.5116 0.5576 0.4006 -0.0164 -0.0331 0.0367 399 SER A C 3066 O O . SER A 399 ? 0.5042 0.5433 0.3951 -0.0170 -0.0288 0.0345 399 SER A O 3067 C CB . SER A 399 ? 0.4781 0.5348 0.3789 -0.0067 -0.0397 0.0442 399 SER A CB 3068 O OG . SER A 399 ? 0.5650 0.6223 0.4735 -0.0067 -0.0378 0.0417 399 SER A OG 3069 N N . ALA A 400 ? 0.4723 0.5240 0.3547 -0.0211 -0.0364 0.0346 400 ALA A N 3070 C CA . ALA A 400 ? 0.4628 0.5113 0.3391 -0.0284 -0.0355 0.0290 400 ALA A CA 3071 C C . ALA A 400 ? 0.4807 0.5138 0.3464 -0.0289 -0.0296 0.0261 400 ALA A C 3072 O O . ALA A 400 ? 0.4750 0.4998 0.3391 -0.0315 -0.0262 0.0225 400 ALA A O 3073 C CB . ALA A 400 ? 0.4736 0.5318 0.3441 -0.0339 -0.0413 0.0278 400 ALA A CB 3074 N N . VAL A 401 ? 0.4523 0.4818 0.3107 -0.0258 -0.0278 0.0282 401 VAL A N 3075 C CA . VAL A 401 ? 0.4585 0.4756 0.3075 -0.0244 -0.0214 0.0262 401 VAL A CA 3076 C C . VAL A 401 ? 0.5033 0.5146 0.3605 -0.0210 -0.0163 0.0265 401 VAL A C 3077 O O . VAL A 401 ? 0.5196 0.5208 0.3712 -0.0219 -0.0122 0.0226 401 VAL A O 3078 C CB . VAL A 401 ? 0.5057 0.5236 0.3487 -0.0205 -0.0198 0.0303 401 VAL A CB 3079 C CG1 . VAL A 401 ? 0.5058 0.5147 0.3436 -0.0169 -0.0120 0.0299 401 VAL A CG1 3080 C CG2 . VAL A 401 ? 0.5084 0.5292 0.3390 -0.0238 -0.0237 0.0291 401 VAL A CG2 3081 N N . VAL A 402 ? 0.4510 0.4676 0.3202 -0.0171 -0.0169 0.0313 402 VAL A N 3082 C CA . VAL A 402 ? 0.4505 0.4636 0.3278 -0.0139 -0.0131 0.0324 402 VAL A CA 3083 C C . VAL A 402 ? 0.4987 0.5092 0.3794 -0.0164 -0.0130 0.0287 402 VAL A C 3084 O O . VAL A 402 ? 0.4869 0.4893 0.3659 -0.0154 -0.0085 0.0268 402 VAL A O 3085 C CB . VAL A 402 ? 0.4966 0.5151 0.3839 -0.0103 -0.0152 0.0380 402 VAL A CB 3086 C CG1 . VAL A 402 ? 0.4857 0.5015 0.3812 -0.0078 -0.0124 0.0390 402 VAL A CG1 3087 C CG2 . VAL A 402 ? 0.4999 0.5194 0.3828 -0.0089 -0.0146 0.0423 402 VAL A CG2 3088 N N . GLY A 403 ? 0.4531 0.4713 0.3384 -0.0194 -0.0178 0.0281 403 GLY A N 3089 C CA . GLY A 403 ? 0.4586 0.4772 0.3479 -0.0228 -0.0180 0.0255 403 GLY A CA 3090 C C . GLY A 403 ? 0.5268 0.5353 0.4055 -0.0285 -0.0159 0.0207 403 GLY A C 3091 O O . GLY A 403 ? 0.5212 0.5221 0.4001 -0.0293 -0.0128 0.0191 403 GLY A O 3092 N N . ASP A 404 ? 0.4755 0.4825 0.3432 -0.0325 -0.0179 0.0182 404 ASP A N 3093 C CA . ASP A 404 ? 0.4718 0.4662 0.3261 -0.0386 -0.0166 0.0129 404 ASP A CA 3094 C C . ASP A 404 ? 0.5363 0.5143 0.3817 -0.0339 -0.0098 0.0112 404 ASP A C 3095 O O . ASP A 404 ? 0.5436 0.5088 0.3831 -0.0363 -0.0071 0.0080 404 ASP A O 3096 C CB . ASP A 404 ? 0.4923 0.4891 0.3358 -0.0436 -0.0208 0.0106 404 ASP A CB 3097 C CG . ASP A 404 ? 0.5581 0.5723 0.4092 -0.0488 -0.0280 0.0120 404 ASP A CG 3098 O OD1 . ASP A 404 ? 0.5391 0.5621 0.4025 -0.0498 -0.0292 0.0138 404 ASP A OD1 3099 O OD2 . ASP A 404 ? 0.5377 0.5580 0.3825 -0.0513 -0.0323 0.0118 404 ASP A OD2 3100 N N . HIS A 405 ? 0.4822 0.4607 0.3261 -0.0272 -0.0069 0.0136 405 HIS A N 3101 C CA . HIS A 405 ? 0.4964 0.4629 0.3326 -0.0212 0.0000 0.0128 405 HIS A CA 3102 C C . HIS A 405 ? 0.5352 0.4982 0.3800 -0.0171 0.0038 0.0145 405 HIS A C 3103 O O . HIS A 405 ? 0.5093 0.4585 0.3458 -0.0147 0.0085 0.0120 405 HIS A O 3104 C CB . HIS A 405 ? 0.4942 0.4676 0.3304 -0.0156 0.0018 0.0167 405 HIS A CB 3105 C CG . HIS A 405 ? 0.5327 0.5003 0.3653 -0.0080 0.0092 0.0179 405 HIS A CG 3106 N ND1 . HIS A 405 ? 0.5635 0.5159 0.3810 -0.0057 0.0142 0.0131 405 HIS A ND1 3107 C CD2 . HIS A 405 ? 0.5370 0.5132 0.3790 -0.0023 0.0121 0.0235 405 HIS A CD2 3108 C CE1 . HIS A 405 ? 0.5494 0.5037 0.3685 0.0025 0.0203 0.0163 405 HIS A CE1 3109 N NE2 . HIS A 405 ? 0.5405 0.5099 0.3749 0.0040 0.0191 0.0228 405 HIS A NE2 3110 N N . ASN A 406 ? 0.4951 0.4696 0.3550 -0.0157 0.0015 0.0187 406 ASN A N 3111 C CA . ASN A 406 ? 0.4871 0.4603 0.3553 -0.0115 0.0045 0.0209 406 ASN A CA 3112 C C . ASN A 406 ? 0.5204 0.4900 0.3913 -0.0155 0.0035 0.0192 406 ASN A C 3113 O O . ASN A 406 ? 0.5099 0.4726 0.3815 -0.0122 0.0071 0.0197 406 ASN A O 3114 C CB . ASN A 406 ? 0.4439 0.4293 0.3250 -0.0079 0.0029 0.0262 406 ASN A CB 3115 C CG . ASN A 406 ? 0.5056 0.4942 0.3849 -0.0038 0.0054 0.0292 406 ASN A CG 3116 O OD1 . ASN A 406 ? 0.4981 0.4827 0.3743 0.0009 0.0106 0.0298 406 ASN A OD1 3117 N ND2 . ASN A 406 ? 0.3938 0.3901 0.2746 -0.0052 0.0019 0.0316 406 ASN A ND2 3118 N N . VAL A 407 ? 0.4870 0.4628 0.3601 -0.0222 -0.0014 0.0180 407 VAL A N 3119 C CA . VAL A 407 ? 0.4676 0.4433 0.3450 -0.0265 -0.0023 0.0174 407 VAL A CA 3120 C C . VAL A 407 ? 0.5310 0.5025 0.4003 -0.0361 -0.0047 0.0136 407 VAL A C 3121 O O . VAL A 407 ? 0.5317 0.4902 0.3944 -0.0394 -0.0023 0.0117 407 VAL A O 3122 C CB . VAL A 407 ? 0.4839 0.4752 0.3759 -0.0248 -0.0055 0.0209 407 VAL A CB 3123 C CG1 . VAL A 407 ? 0.4716 0.4643 0.3677 -0.0289 -0.0057 0.0208 407 VAL A CG1 3124 C CG2 . VAL A 407 ? 0.4612 0.4547 0.3601 -0.0170 -0.0038 0.0244 407 VAL A CG2 3125 N N . VAL A 408 ? 0.4816 0.4641 0.3516 -0.0409 -0.0099 0.0131 408 VAL A N 3126 C CA . VAL A 408 ? 0.4943 0.4771 0.3589 -0.0516 -0.0134 0.0102 408 VAL A CA 3127 C C . VAL A 408 ? 0.5679 0.5290 0.4144 -0.0563 -0.0111 0.0052 408 VAL A C 3128 O O . VAL A 408 ? 0.5574 0.5096 0.3994 -0.0637 -0.0109 0.0034 408 VAL A O 3129 C CB . VAL A 408 ? 0.5221 0.5227 0.3907 -0.0555 -0.0198 0.0109 408 VAL A CB 3130 C CG1 . VAL A 408 ? 0.5326 0.5367 0.3978 -0.0678 -0.0239 0.0086 408 VAL A CG1 3131 C CG2 . VAL A 408 ? 0.5015 0.5206 0.3862 -0.0495 -0.0217 0.0156 408 VAL A CG2 3132 N N . CYS A 409 ? 0.5362 0.4879 0.3716 -0.0518 -0.0090 0.0031 409 CYS A N 3133 C CA . CYS A 409 ? 0.5651 0.4944 0.3808 -0.0553 -0.0068 -0.0024 409 CYS A CA 3134 C C . CYS A 409 ? 0.5938 0.5039 0.4040 -0.0500 -0.0003 -0.0028 409 CYS A C 3135 O O . CYS A 409 ? 0.6042 0.4977 0.4034 -0.0568 -0.0001 -0.0061 409 CYS A O 3136 C CB . CYS A 409 ? 0.5757 0.5021 0.3795 -0.0526 -0.0069 -0.0048 409 CYS A CB 3137 S SG . CYS A 409 ? 0.6227 0.5692 0.4297 -0.0606 -0.0156 -0.0045 409 CYS A SG 3138 N N . PRO A 410 ? 0.5508 0.4646 0.3704 -0.0395 0.0041 0.0012 410 PRO A N 3139 C CA . PRO A 410 ? 0.5521 0.4502 0.3683 -0.0350 0.0094 0.0016 410 PRO A CA 3140 C C . PRO A 410 ? 0.5756 0.4712 0.3952 -0.0433 0.0076 0.0022 410 PRO A C 3141 O O . PRO A 410 ? 0.5895 0.4647 0.3978 -0.0447 0.0105 0.0004 410 PRO A O 3142 C CB . PRO A 410 ? 0.5469 0.4575 0.3769 -0.0242 0.0123 0.0068 410 PRO A CB 3143 C CG . PRO A 410 ? 0.5756 0.4972 0.4065 -0.0212 0.0111 0.0073 410 PRO A CG 3144 C CD . PRO A 410 ? 0.5352 0.4652 0.3667 -0.0312 0.0046 0.0055 410 PRO A CD 3145 N N . VAL A 411 ? 0.5221 0.4378 0.3563 -0.0486 0.0030 0.0049 411 VAL A N 3146 C CA . VAL A 411 ? 0.5145 0.4326 0.3534 -0.0571 0.0013 0.0062 411 VAL A CA 3147 C C . VAL A 411 ? 0.5971 0.5018 0.4218 -0.0697 -0.0013 0.0019 411 VAL A C 3148 O O . VAL A 411 ? 0.6162 0.5056 0.4339 -0.0750 0.0005 0.0016 411 VAL A O 3149 C CB . VAL A 411 ? 0.5455 0.4903 0.4032 -0.0582 -0.0025 0.0101 411 VAL A CB 3150 C CG1 . VAL A 411 ? 0.5473 0.4969 0.4083 -0.0688 -0.0045 0.0112 411 VAL A CG1 3151 C CG2 . VAL A 411 ? 0.5211 0.4739 0.3907 -0.0473 0.0001 0.0142 411 VAL A CG2 3152 N N . ALA A 412 ? 0.5658 0.4753 0.3850 -0.0752 -0.0057 -0.0013 412 ALA A N 3153 C CA . ALA A 412 ? 0.5844 0.4814 0.3889 -0.0885 -0.0092 -0.0059 412 ALA A CA 3154 C C . ALA A 412 ? 0.6466 0.5100 0.4297 -0.0869 -0.0045 -0.0102 412 ALA A C 3155 O O . ALA A 412 ? 0.6555 0.5015 0.4274 -0.0972 -0.0053 -0.0122 412 ALA A O 3156 C CB . ALA A 412 ? 0.5973 0.5050 0.3984 -0.0923 -0.0146 -0.0086 412 ALA A CB 3157 N N . GLN A 413 ? 0.5978 0.4521 0.3754 -0.0736 0.0006 -0.0110 413 GLN A N 3158 C CA . GLN A 413 ? 0.6303 0.4535 0.3874 -0.0684 0.0060 -0.0148 413 GLN A CA 3159 C C . GLN A 413 ? 0.6993 0.5087 0.4564 -0.0679 0.0096 -0.0121 413 GLN A C 3160 O O . GLN A 413 ? 0.7255 0.5079 0.4647 -0.0737 0.0105 -0.0153 413 GLN A O 3161 C CB . GLN A 413 ? 0.6392 0.4633 0.3954 -0.0528 0.0113 -0.0144 413 GLN A CB 3162 C CG . GLN A 413 ? 0.7219 0.5167 0.4585 -0.0440 0.0180 -0.0175 413 GLN A CG 3163 C CD . GLN A 413 ? 1.1799 0.9550 0.8927 -0.0467 0.0176 -0.0248 413 GLN A CD 3164 O OE1 . GLN A 413 ? 1.1517 0.9301 0.8595 -0.0587 0.0114 -0.0283 413 GLN A OE1 3165 N NE2 . GLN A 413 ? 1.2570 1.0104 0.9533 -0.0357 0.0241 -0.0275 413 GLN A NE2 3166 N N . LEU A 414 ? 0.6245 0.4515 0.4006 -0.0613 0.0113 -0.0061 414 LEU A N 3167 C CA . LEU A 414 ? 0.6166 0.4347 0.3947 -0.0598 0.0145 -0.0025 414 LEU A CA 3168 C C . LEU A 414 ? 0.6896 0.5026 0.4648 -0.0759 0.0109 -0.0024 414 LEU A C 3169 O O . LEU A 414 ? 0.7157 0.5030 0.4766 -0.0789 0.0133 -0.0031 414 LEU A O 3170 C CB . LEU A 414 ? 0.5726 0.4135 0.3718 -0.0506 0.0159 0.0037 414 LEU A CB 3171 C CG . LEU A 414 ? 0.6036 0.4372 0.4052 -0.0488 0.0189 0.0080 414 LEU A CG 3172 C CD1 . LEU A 414 ? 0.6267 0.4344 0.4135 -0.0387 0.0248 0.0075 414 LEU A CD1 3173 C CD2 . LEU A 414 ? 0.5946 0.4528 0.4164 -0.0431 0.0186 0.0133 414 LEU A CD2 3174 N N . ALA A 415 ? 0.6391 0.4764 0.4271 -0.0859 0.0052 -0.0013 415 ALA A N 3175 C CA . ALA A 415 ? 0.6482 0.4871 0.4362 -0.1023 0.0014 -0.0005 415 ALA A CA 3176 C C . ALA A 415 ? 0.7585 0.5678 0.5228 -0.1138 -0.0002 -0.0061 415 ALA A C 3177 O O . ALA A 415 ? 0.7824 0.5757 0.5387 -0.1235 0.0001 -0.0050 415 ALA A O 3178 C CB . ALA A 415 ? 0.6310 0.5032 0.4362 -0.1089 -0.0044 0.0013 415 ALA A CB 3179 N N . GLY A 416 ? 0.7505 0.5508 0.5020 -0.1123 -0.0016 -0.0119 416 GLY A N 3180 C CA . GLY A 416 ? 0.7762 0.5458 0.5021 -0.1221 -0.0033 -0.0184 416 GLY A CA 3181 C C . GLY A 416 ? 0.8432 0.5750 0.5493 -0.1162 0.0027 -0.0199 416 GLY A C 3182 O O . GLY A 416 ? 0.8665 0.5730 0.5562 -0.1283 0.0014 -0.0219 416 GLY A O 3183 N N . ARG A 417 ? 0.7876 0.5151 0.4947 -0.0975 0.0093 -0.0187 417 ARG A N 3184 C CA . ARG A 417 ? 0.8065 0.5003 0.4959 -0.0880 0.0157 -0.0195 417 ARG A CA 3185 C C . ARG A 417 ? 0.8691 0.5562 0.5625 -0.0926 0.0171 -0.0138 417 ARG A C 3186 O O . ARG A 417 ? 0.9108 0.5641 0.5836 -0.0971 0.0186 -0.0155 417 ARG A O 3187 C CB . ARG A 417 ? 0.7751 0.4733 0.4686 -0.0666 0.0221 -0.0182 417 ARG A CB 3188 C CG . ARG A 417 ? 0.8514 0.5531 0.5383 -0.0600 0.0224 -0.0232 417 ARG A CG 3189 C CD . ARG A 417 ? 1.0262 0.6975 0.6844 -0.0664 0.0211 -0.0317 417 ARG A CD 3190 N NE . ARG A 417 ? 1.2284 0.8599 0.8632 -0.0627 0.0257 -0.0341 417 ARG A NE 3191 C CZ . ARG A 417 ? 1.4868 1.0860 1.0935 -0.0591 0.0281 -0.0413 417 ARG A CZ 3192 N NH1 . ARG A 417 ? 1.3113 0.9145 0.9098 -0.0588 0.0264 -0.0469 417 ARG A NH1 3193 N NH2 . ARG A 417 ? 1.3770 0.9386 0.9623 -0.0548 0.0323 -0.0429 417 ARG A NH2 3194 N N . LEU A 418 ? 0.7967 0.5143 0.5147 -0.0917 0.0165 -0.0072 418 LEU A N 3195 C CA . LEU A 418 ? 0.7952 0.5111 0.5188 -0.0959 0.0179 -0.0011 418 LEU A CA 3196 C C . LEU A 418 ? 0.8679 0.5712 0.5815 -0.1167 0.0137 -0.0018 418 LEU A C 3197 O O . LEU A 418 ? 0.8882 0.5643 0.5879 -0.1204 0.0160 -0.0001 418 LEU A O 3198 C CB . LEU A 418 ? 0.7530 0.5065 0.5042 -0.0921 0.0174 0.0053 418 LEU A CB 3199 C CG . LEU A 418 ? 0.7802 0.5471 0.5434 -0.0732 0.0214 0.0081 418 LEU A CG 3200 C CD1 . LEU A 418 ? 0.7276 0.5285 0.5149 -0.0728 0.0196 0.0132 418 LEU A CD1 3201 C CD2 . LEU A 418 ? 0.8275 0.5711 0.5807 -0.0621 0.0273 0.0108 418 LEU A CD2 3202 N N . ALA A 419 ? 0.8291 0.5519 0.5492 -0.1305 0.0072 -0.0040 419 ALA A N 3203 C CA . ALA A 419 ? 0.8564 0.5729 0.5693 -0.1524 0.0021 -0.0045 419 ALA A CA 3204 C C . ALA A 419 ? 0.9840 0.6552 0.6651 -0.1595 0.0018 -0.0109 419 ALA A C 3205 O O . ALA A 419 ? 1.0293 0.6794 0.6986 -0.1733 0.0009 -0.0095 419 ALA A O 3206 C CB . ALA A 419 ? 0.8445 0.5944 0.5718 -0.1630 -0.0049 -0.0054 419 ALA A CB 3207 N N . ALA A 420 ? 0.9320 0.5868 0.5980 -0.1496 0.0029 -0.0179 420 ALA A N 3208 C CA . ALA A 420 ? 0.9713 0.5810 0.6048 -0.1539 0.0030 -0.0250 420 ALA A CA 3209 C C . ALA A 420 ? 1.0678 0.6417 0.6856 -0.1444 0.0099 -0.0229 420 ALA A C 3210 O O . ALA A 420 ? 1.1137 0.6472 0.7046 -0.1523 0.0096 -0.0268 420 ALA A O 3211 C CB . ALA A 420 ? 0.9778 0.5825 0.6001 -0.1436 0.0034 -0.0326 420 ALA A CB 3212 N N . GLN A 421 ? 1.0022 0.5904 0.6362 -0.1278 0.0156 -0.0166 421 GLN A N 3213 C CA . GLN A 421 ? 1.0172 0.5759 0.6387 -0.1159 0.0222 -0.0136 421 GLN A CA 3214 C C . GLN A 421 ? 1.0557 0.6203 0.6881 -0.1222 0.0231 -0.0049 421 GLN A C 3215 O O . GLN A 421 ? 1.0568 0.6138 0.6901 -0.1083 0.0286 0.0001 421 GLN A O 3216 C CB . GLN A 421 ? 1.0238 0.5883 0.6499 -0.0910 0.0285 -0.0135 421 GLN A CB 3217 C CG . GLN A 421 ? 1.2262 0.7636 0.8279 -0.0834 0.0303 -0.0222 421 GLN A CG 3218 C CD . GLN A 421 ? 1.3950 0.9588 1.0093 -0.0688 0.0322 -0.0238 421 GLN A CD 3219 O OE1 . GLN A 421 ? 1.3613 0.9360 0.9749 -0.0746 0.0282 -0.0290 421 GLN A OE1 3220 N NE2 . GLN A 421 ? 1.2443 0.8183 0.8692 -0.0498 0.0381 -0.0191 421 GLN A NE2 3221 N N . GLY A 422 ? 1.0003 0.5765 0.6389 -0.1436 0.0175 -0.0030 422 GLY A N 3222 C CA . GLY A 422 ? 0.9890 0.5688 0.6349 -0.1536 0.0179 0.0051 422 GLY A CA 3223 C C . GLY A 422 ? 0.9828 0.6069 0.6593 -0.1515 0.0181 0.0127 422 GLY A C 3224 O O . GLY A 422 ? 0.9882 0.6159 0.6696 -0.1610 0.0185 0.0194 422 GLY A O 3225 N N . ALA A 423 ? 0.8876 0.5446 0.5839 -0.1397 0.0180 0.0120 423 ALA A N 3226 C CA . ALA A 423 ? 0.8294 0.5254 0.5525 -0.1369 0.0183 0.0187 423 ALA A CA 3227 C C . ALA A 423 ? 0.8333 0.5603 0.5717 -0.1539 0.0128 0.0202 423 ALA A C 3228 O O . ALA A 423 ? 0.8281 0.5558 0.5616 -0.1650 0.0077 0.0151 423 ALA A O 3229 C CB . ALA A 423 ? 0.7985 0.5164 0.5364 -0.1173 0.0204 0.0180 423 ALA A CB 3230 N N . ARG A 424 ? 0.7653 0.5189 0.5222 -0.1553 0.0138 0.0274 424 ARG A N 3231 C CA A ARG A 424 ? 0.7319 0.5216 0.5072 -0.1680 0.0096 0.0301 424 ARG A CA 3232 C CA B ARG A 424 ? 0.7334 0.5231 0.5086 -0.1681 0.0095 0.0300 424 ARG A CA 3233 C C . ARG A 424 ? 0.7132 0.5343 0.5075 -0.1536 0.0090 0.0287 424 ARG A C 3234 O O . ARG A 424 ? 0.6733 0.5011 0.4758 -0.1385 0.0129 0.0314 424 ARG A O 3235 C CB A ARG A 424 ? 0.7198 0.5211 0.5037 -0.1744 0.0121 0.0386 424 ARG A CB 3236 C CB B ARG A 424 ? 0.7295 0.5310 0.5133 -0.1754 0.0118 0.0385 424 ARG A CB 3237 C CG A ARG A 424 ? 0.8383 0.6766 0.6399 -0.1888 0.0083 0.0421 424 ARG A CG 3238 C CG B ARG A 424 ? 0.8730 0.7092 0.6728 -0.1914 0.0076 0.0416 424 ARG A CG 3239 C CD A ARG A 424 ? 0.9688 0.8229 0.7806 -0.1918 0.0119 0.0509 424 ARG A CD 3240 C CD B ARG A 424 ? 1.0542 0.8972 0.8582 -0.2008 0.0105 0.0502 424 ARG A CD 3241 N NE A ARG A 424 ? 1.0497 0.8743 0.8446 -0.2049 0.0138 0.0548 424 ARG A NE 3242 N NE B ARG A 424 ? 1.0814 0.9566 0.8993 -0.2178 0.0067 0.0538 424 ARG A NE 3243 C CZ A ARG A 424 ? 1.1185 0.9471 0.9164 -0.2073 0.0179 0.0629 424 ARG A CZ 3244 C CZ B ARG A 424 ? 1.2476 1.1141 1.0565 -0.2396 0.0028 0.0541 424 ARG A CZ 3245 N NH1 A ARG A 424 ? 0.8293 0.6905 0.6461 -0.1974 0.0206 0.0673 424 ARG A NH1 3246 N NH1 B ARG A 424 ? 1.1118 0.9349 0.8960 -0.2471 0.0019 0.0504 424 ARG A NH1 3247 N NH2 A ARG A 424 ? 0.9404 0.7391 0.7211 -0.2198 0.0193 0.0666 424 ARG A NH2 3248 N NH2 B ARG A 424 ? 1.0309 0.9321 0.8551 -0.2541 -0.0005 0.0583 424 ARG A NH2 3249 N N . VAL A 425 ? 0.6515 0.4888 0.4508 -0.1581 0.0039 0.0244 425 VAL A N 3250 C CA . VAL A 425 ? 0.6030 0.4672 0.4182 -0.1454 0.0028 0.0230 425 VAL A CA 3251 C C . VAL A 425 ? 0.6357 0.5376 0.4695 -0.1537 -0.0016 0.0256 425 VAL A C 3252 O O . VAL A 425 ? 0.6472 0.5523 0.4779 -0.1700 -0.0061 0.0248 425 VAL A O 3253 C CB . VAL A 425 ? 0.6433 0.4930 0.4469 -0.1396 0.0011 0.0157 425 VAL A CB 3254 C CG1 . VAL A 425 ? 0.5923 0.4670 0.4113 -0.1257 0.0005 0.0151 425 VAL A CG1 3255 C CG2 . VAL A 425 ? 0.6599 0.4706 0.4425 -0.1321 0.0056 0.0128 425 VAL A CG2 3256 N N . TYR A 426 ? 0.5619 0.4922 0.4145 -0.1423 -0.0006 0.0286 426 TYR A N 3257 C CA . TYR A 426 ? 0.5357 0.5033 0.4065 -0.1454 -0.0043 0.0308 426 TYR A CA 3258 C C . TYR A 426 ? 0.5622 0.5401 0.4395 -0.1312 -0.0056 0.0278 426 TYR A C 3259 O O . TYR A 426 ? 0.5516 0.5211 0.4288 -0.1171 -0.0021 0.0275 426 TYR A O 3260 C CB . TYR A 426 ? 0.5276 0.5176 0.4129 -0.1438 -0.0013 0.0375 426 TYR A CB 3261 C CG . TYR A 426 ? 0.5586 0.5425 0.4390 -0.1594 0.0000 0.0417 426 TYR A CG 3262 C CD1 . TYR A 426 ? 0.5762 0.5802 0.4627 -0.1760 -0.0040 0.0440 426 TYR A CD1 3263 C CD2 . TYR A 426 ? 0.5780 0.5355 0.4469 -0.1583 0.0049 0.0439 426 TYR A CD2 3264 C CE1 . TYR A 426 ? 0.6041 0.6017 0.4854 -0.1923 -0.0030 0.0484 426 TYR A CE1 3265 C CE2 . TYR A 426 ? 0.6063 0.5553 0.4689 -0.1736 0.0060 0.0483 426 TYR A CE2 3266 C CZ . TYR A 426 ? 0.6830 0.6520 0.5518 -0.1911 0.0021 0.0506 426 TYR A CZ 3267 O OH . TYR A 426 ? 0.7096 0.6713 0.5727 -0.2074 0.0032 0.0557 426 TYR A OH 3268 N N . ALA A 427 ? 0.5089 0.5041 0.3912 -0.1352 -0.0110 0.0257 427 ALA A N 3269 C CA . ALA A 427 ? 0.4933 0.4967 0.3803 -0.1225 -0.0125 0.0233 427 ALA A CA 3270 C C . ALA A 427 ? 0.5359 0.5748 0.4408 -0.1202 -0.0158 0.0263 427 ALA A C 3271 O O . ALA A 427 ? 0.5367 0.5948 0.4484 -0.1314 -0.0187 0.0288 427 ALA A O 3272 C CB . ALA A 427 ? 0.5076 0.4936 0.3799 -0.1260 -0.0156 0.0175 427 ALA A CB 3273 N N . TYR A 428 ? 0.4721 0.5195 0.3842 -0.1059 -0.0155 0.0262 428 TYR A N 3274 C CA . TYR A 428 ? 0.4551 0.5332 0.3825 -0.1010 -0.0185 0.0289 428 TYR A CA 3275 C C . TYR A 428 ? 0.5065 0.5859 0.4343 -0.0903 -0.0208 0.0268 428 TYR A C 3276 O O . TYR A 428 ? 0.4857 0.5445 0.4045 -0.0844 -0.0189 0.0241 428 TYR A O 3277 C CB . TYR A 428 ? 0.4440 0.5365 0.3832 -0.0932 -0.0146 0.0333 428 TYR A CB 3278 C CG . TYR A 428 ? 0.4426 0.5210 0.3800 -0.0794 -0.0108 0.0327 428 TYR A CG 3279 C CD1 . TYR A 428 ? 0.4503 0.5342 0.3921 -0.0674 -0.0123 0.0320 428 TYR A CD1 3280 C CD2 . TYR A 428 ? 0.4348 0.4932 0.3650 -0.0788 -0.0062 0.0329 428 TYR A CD2 3281 C CE1 . TYR A 428 ? 0.4191 0.4898 0.3587 -0.0566 -0.0095 0.0314 428 TYR A CE1 3282 C CE2 . TYR A 428 ? 0.4303 0.4773 0.3590 -0.0668 -0.0034 0.0325 428 TYR A CE2 3283 C CZ . TYR A 428 ? 0.5156 0.5692 0.4492 -0.0564 -0.0053 0.0316 428 TYR A CZ 3284 O OH . TYR A 428 ? 0.4381 0.4811 0.3702 -0.0463 -0.0032 0.0314 428 TYR A OH 3285 N N . ILE A 429 ? 0.4575 0.5625 0.3964 -0.0871 -0.0246 0.0289 429 ILE A N 3286 C CA . ILE A 429 ? 0.4364 0.5462 0.3781 -0.0754 -0.0266 0.0287 429 ILE A CA 3287 C C . ILE A 429 ? 0.4792 0.6106 0.4347 -0.0661 -0.0258 0.0326 429 ILE A C 3288 O O . ILE A 429 ? 0.4796 0.6334 0.4439 -0.0708 -0.0271 0.0355 429 ILE A O 3289 C CB . ILE A 429 ? 0.4908 0.6066 0.4288 -0.0790 -0.0325 0.0271 429 ILE A CB 3290 C CG1 . ILE A 429 ? 0.4828 0.6006 0.4230 -0.0656 -0.0336 0.0278 429 ILE A CG1 3291 C CG2 . ILE A 429 ? 0.5197 0.6621 0.4656 -0.0884 -0.0374 0.0294 429 ILE A CG2 3292 C CD1 . ILE A 429 ? 0.5685 0.6824 0.5003 -0.0670 -0.0379 0.0258 429 ILE A CD1 3293 N N . PHE A 430 ? 0.4188 0.5433 0.3755 -0.0534 -0.0235 0.0328 430 PHE A N 3294 C CA . PHE A 430 ? 0.4058 0.5461 0.3725 -0.0429 -0.0226 0.0357 430 PHE A CA 3295 C C . PHE A 430 ? 0.4366 0.5862 0.4060 -0.0347 -0.0268 0.0364 430 PHE A C 3296 O O . PHE A 430 ? 0.3984 0.5333 0.3616 -0.0301 -0.0278 0.0349 430 PHE A O 3297 C CB . PHE A 430 ? 0.4100 0.5348 0.3743 -0.0350 -0.0181 0.0352 430 PHE A CB 3298 C CG . PHE A 430 ? 0.4107 0.5480 0.3823 -0.0243 -0.0169 0.0373 430 PHE A CG 3299 C CD1 . PHE A 430 ? 0.4373 0.5745 0.4097 -0.0130 -0.0190 0.0373 430 PHE A CD1 3300 C CD2 . PHE A 430 ? 0.4232 0.5699 0.3992 -0.0252 -0.0133 0.0392 430 PHE A CD2 3301 C CE1 . PHE A 430 ? 0.4438 0.5888 0.4203 -0.0024 -0.0177 0.0385 430 PHE A CE1 3302 C CE2 . PHE A 430 ? 0.4491 0.6053 0.4296 -0.0142 -0.0116 0.0406 430 PHE A CE2 3303 C CZ . PHE A 430 ? 0.4293 0.5843 0.4097 -0.0027 -0.0139 0.0399 430 PHE A CZ 3304 N N . GLU A 431 ? 0.4248 0.5998 0.4036 -0.0326 -0.0293 0.0393 431 GLU A N 3305 C CA . GLU A 431 ? 0.4391 0.6240 0.4199 -0.0252 -0.0339 0.0406 431 GLU A CA 3306 C C . GLU A 431 ? 0.5040 0.7010 0.4916 -0.0110 -0.0335 0.0432 431 GLU A C 3307 O O . GLU A 431 ? 0.5080 0.7144 0.4975 -0.0040 -0.0373 0.0450 431 GLU A O 3308 C CB . GLU A 431 ? 0.4589 0.6639 0.4431 -0.0345 -0.0388 0.0419 431 GLU A CB 3309 C CG . GLU A 431 ? 0.5481 0.7405 0.5235 -0.0494 -0.0399 0.0388 431 GLU A CG 3310 C CD . GLU A 431 ? 0.6297 0.8420 0.6076 -0.0592 -0.0458 0.0399 431 GLU A CD 3311 O OE1 . GLU A 431 ? 0.5766 0.8158 0.5657 -0.0617 -0.0470 0.0434 431 GLU A OE1 3312 O OE2 . GLU A 431 ? 0.5605 0.7628 0.5290 -0.0641 -0.0494 0.0374 431 GLU A OE2 3313 N N . HIS A 432 ? 0.4662 0.6627 0.4565 -0.0062 -0.0289 0.0434 432 HIS A N 3314 C CA . HIS A 432 ? 0.4623 0.6685 0.4570 0.0082 -0.0282 0.0452 432 HIS A CA 3315 C C . HIS A 432 ? 0.5052 0.6879 0.4920 0.0185 -0.0281 0.0434 432 HIS A C 3316 O O . HIS A 432 ? 0.4737 0.6367 0.4547 0.0167 -0.0254 0.0411 432 HIS A O 3317 C CB . HIS A 432 ? 0.4649 0.6861 0.4662 0.0095 -0.0235 0.0468 432 HIS A CB 3318 C CG . HIS A 432 ? 0.4989 0.7252 0.5016 0.0258 -0.0220 0.0477 432 HIS A CG 3319 N ND1 . HIS A 432 ? 0.5136 0.7601 0.5221 0.0353 -0.0245 0.0505 432 HIS A ND1 3320 C CD2 . HIS A 432 ? 0.5106 0.7216 0.5077 0.0345 -0.0189 0.0457 432 HIS A CD2 3321 C CE1 . HIS A 432 ? 0.5098 0.7516 0.5155 0.0499 -0.0223 0.0500 432 HIS A CE1 3322 N NE2 . HIS A 432 ? 0.5168 0.7372 0.5153 0.0494 -0.0191 0.0469 432 HIS A NE2 3323 N N . ARG A 433 ? 0.4653 0.6506 0.4517 0.0293 -0.0312 0.0448 433 ARG A N 3324 C CA . ARG A 433 ? 0.4769 0.6404 0.4553 0.0388 -0.0318 0.0437 433 ARG A CA 3325 C C . ARG A 433 ? 0.5302 0.6959 0.5092 0.0509 -0.0290 0.0435 433 ARG A C 3326 O O . ARG A 433 ? 0.5210 0.7059 0.5053 0.0593 -0.0293 0.0458 433 ARG A O 3327 C CB . ARG A 433 ? 0.4758 0.6378 0.4513 0.0438 -0.0368 0.0457 433 ARG A CB 3328 C CG . ARG A 433 ? 0.5557 0.6935 0.5222 0.0515 -0.0378 0.0450 433 ARG A CG 3329 C CD . ARG A 433 ? 0.5931 0.7293 0.5560 0.0568 -0.0426 0.0479 433 ARG A CD 3330 N NE . ARG A 433 ? 0.5525 0.6705 0.5078 0.0681 -0.0436 0.0482 433 ARG A NE 3331 C CZ . ARG A 433 ? 0.6931 0.7879 0.6399 0.0666 -0.0450 0.0481 433 ARG A CZ 3332 N NH1 . ARG A 433 ? 0.5698 0.6580 0.5151 0.0556 -0.0450 0.0477 433 ARG A NH1 3333 N NH2 . ARG A 433 ? 0.5993 0.6769 0.5383 0.0761 -0.0464 0.0484 433 ARG A NH2 3334 N N . ALA A 434 ? 0.4989 0.6456 0.4718 0.0523 -0.0264 0.0409 434 ALA A N 3335 C CA . ALA A 434 ? 0.4985 0.6443 0.4691 0.0635 -0.0238 0.0399 434 ALA A CA 3336 C C . ALA A 434 ? 0.5366 0.6820 0.5040 0.0777 -0.0266 0.0410 434 ALA A C 3337 O O . ALA A 434 ? 0.4958 0.6263 0.4575 0.0790 -0.0305 0.0414 434 ALA A O 3338 C CB . ALA A 434 ? 0.5058 0.6279 0.4683 0.0625 -0.0225 0.0368 434 ALA A CB 3339 N N . SER A 435 ? 0.5222 0.6837 0.4926 0.0889 -0.0243 0.0419 435 SER A N 3340 C CA . SER A 435 ? 0.5382 0.6992 0.5045 0.1050 -0.0262 0.0430 435 SER A CA 3341 C C . SER A 435 ? 0.6333 0.7611 0.5851 0.1114 -0.0279 0.0399 435 SER A C 3342 O O . SER A 435 ? 0.6519 0.7683 0.5969 0.1208 -0.0313 0.0408 435 SER A O 3343 C CB . SER A 435 ? 0.5478 0.7320 0.5193 0.1162 -0.0221 0.0442 435 SER A CB 3344 O OG . SER A 435 ? 0.5586 0.7342 0.5249 0.1181 -0.0177 0.0409 435 SER A OG 3345 N N . THR A 436 ? 0.6138 0.7263 0.5608 0.1054 -0.0260 0.0365 436 THR A N 3346 C CA . THR A 436 ? 0.6499 0.7324 0.5839 0.1077 -0.0276 0.0332 436 THR A CA 3347 C C . THR A 436 ? 0.7223 0.7848 0.6523 0.0980 -0.0319 0.0336 436 THR A C 3348 O O . THR A 436 ? 0.7505 0.7887 0.6697 0.1003 -0.0344 0.0319 436 THR A O 3349 C CB . THR A 436 ? 0.7508 0.8307 0.6826 0.1052 -0.0237 0.0300 436 THR A CB 3350 O OG1 . THR A 436 ? 0.7653 0.8548 0.7056 0.0912 -0.0218 0.0310 436 THR A OG1 3351 C CG2 . THR A 436 ? 0.7414 0.8373 0.6739 0.1168 -0.0193 0.0295 436 THR A CG2 3352 N N . LEU A 437 ? 0.6487 0.7215 0.5867 0.0874 -0.0326 0.0361 437 LEU A N 3353 C CA . LEU A 437 ? 0.6221 0.6806 0.5575 0.0781 -0.0355 0.0370 437 LEU A CA 3354 C C . LEU A 437 ? 0.6335 0.6722 0.5592 0.0839 -0.0400 0.0383 437 LEU A C 3355 O O . LEU A 437 ? 0.6305 0.6742 0.5553 0.0928 -0.0419 0.0405 437 LEU A O 3356 C CB . LEU A 437 ? 0.6127 0.6882 0.5567 0.0689 -0.0355 0.0392 437 LEU A CB 3357 C CG . LEU A 437 ? 0.6682 0.7359 0.6123 0.0560 -0.0354 0.0391 437 LEU A CG 3358 C CD1 . LEU A 437 ? 0.6552 0.7041 0.5940 0.0533 -0.0347 0.0371 437 LEU A CD1 3359 C CD2 . LEU A 437 ? 0.6881 0.7721 0.6398 0.0471 -0.0327 0.0387 437 LEU A CD2 3360 N N . THR A 438 ? 0.5781 0.5948 0.4966 0.0786 -0.0418 0.0375 438 THR A N 3361 C CA . THR A 438 ? 0.5853 0.5800 0.4935 0.0817 -0.0462 0.0391 438 THR A CA 3362 C C . THR A 438 ? 0.6254 0.6174 0.5346 0.0730 -0.0483 0.0428 438 THR A C 3363 O O . THR A 438 ? 0.6429 0.6187 0.5440 0.0749 -0.0519 0.0454 438 THR A O 3364 C CB . THR A 438 ? 0.6582 0.6296 0.5562 0.0817 -0.0475 0.0362 438 THR A CB 3365 O OG1 . THR A 438 ? 0.6730 0.6440 0.5750 0.0700 -0.0462 0.0353 438 THR A OG1 3366 C CG2 . THR A 438 ? 0.6727 0.6429 0.5659 0.0925 -0.0459 0.0324 438 THR A CG2 3367 N N . TRP A 439 ? 0.5593 0.5652 0.4769 0.0636 -0.0460 0.0431 439 TRP A N 3368 C CA . TRP A 439 ? 0.5331 0.5390 0.4511 0.0562 -0.0473 0.0464 439 TRP A CA 3369 C C . TRP A 439 ? 0.5651 0.5818 0.4838 0.0623 -0.0495 0.0493 439 TRP A C 3370 O O . TRP A 439 ? 0.5594 0.5898 0.4821 0.0696 -0.0488 0.0485 439 TRP A O 3371 C CB . TRP A 439 ? 0.4899 0.5070 0.4149 0.0462 -0.0439 0.0452 439 TRP A CB 3372 C CG . TRP A 439 ? 0.4863 0.4936 0.4107 0.0403 -0.0420 0.0435 439 TRP A CG 3373 C CD1 . TRP A 439 ? 0.5098 0.5202 0.4374 0.0394 -0.0392 0.0404 439 TRP A CD1 3374 C CD2 . TRP A 439 ? 0.4861 0.4802 0.4068 0.0348 -0.0432 0.0455 439 TRP A CD2 3375 N NE1 . TRP A 439 ? 0.5039 0.5045 0.4300 0.0339 -0.0387 0.0403 439 TRP A NE1 3376 C CE2 . TRP A 439 ? 0.5260 0.5173 0.4485 0.0309 -0.0411 0.0434 439 TRP A CE2 3377 C CE3 . TRP A 439 ? 0.5007 0.4863 0.4167 0.0324 -0.0457 0.0495 439 TRP A CE3 3378 C CZ2 . TRP A 439 ? 0.5146 0.4969 0.4356 0.0247 -0.0416 0.0452 439 TRP A CZ2 3379 C CZ3 . TRP A 439 ? 0.5192 0.4959 0.4338 0.0256 -0.0457 0.0514 439 TRP A CZ3 3380 C CH2 . TRP A 439 ? 0.5258 0.5018 0.4433 0.0219 -0.0438 0.0492 439 TRP A CH2 3381 N N . PRO A 440 ? 0.5265 0.5381 0.4411 0.0605 -0.0523 0.0533 440 PRO A N 3382 C CA . PRO A 440 ? 0.5205 0.5434 0.4353 0.0670 -0.0549 0.0565 440 PRO A CA 3383 C C . PRO A 440 ? 0.5802 0.6291 0.5046 0.0638 -0.0535 0.0556 440 PRO A C 3384 O O . PRO A 440 ? 0.5394 0.5941 0.4683 0.0543 -0.0507 0.0530 440 PRO A O 3385 C CB . PRO A 440 ? 0.5422 0.5538 0.4502 0.0628 -0.0575 0.0609 440 PRO A CB 3386 C CG . PRO A 440 ? 0.5928 0.5989 0.5018 0.0514 -0.0549 0.0596 440 PRO A CG 3387 C CD . PRO A 440 ? 0.5411 0.5392 0.4510 0.0522 -0.0529 0.0557 440 PRO A CD 3388 N N . LEU A 441 ? 0.5670 0.6312 0.4940 0.0717 -0.0558 0.0579 441 LEU A N 3389 C CA . LEU A 441 ? 0.5675 0.6581 0.5035 0.0683 -0.0557 0.0577 441 LEU A CA 3390 C C . LEU A 441 ? 0.6090 0.7035 0.5449 0.0560 -0.0562 0.0577 441 LEU A C 3391 O O . LEU A 441 ? 0.6237 0.7332 0.5658 0.0486 -0.0547 0.0555 441 LEU A O 3392 C CB . LEU A 441 ? 0.5890 0.6959 0.5273 0.0793 -0.0591 0.0615 441 LEU A CB 3393 C CG . LEU A 441 ? 0.6863 0.7964 0.6261 0.0932 -0.0579 0.0613 441 LEU A CG 3394 C CD1 . LEU A 441 ? 0.7117 0.8338 0.6514 0.1058 -0.0617 0.0661 441 LEU A CD1 3395 C CD2 . LEU A 441 ? 0.7102 0.8393 0.6603 0.0905 -0.0538 0.0580 441 LEU A CD2 3396 N N . TRP A 442 ? 0.5491 0.6294 0.4768 0.0537 -0.0580 0.0603 442 TRP A N 3397 C CA . TRP A 442 ? 0.5435 0.6265 0.4689 0.0432 -0.0581 0.0602 442 TRP A CA 3398 C C . TRP A 442 ? 0.5666 0.6459 0.4942 0.0334 -0.0535 0.0556 442 TRP A C 3399 O O . TRP A 442 ? 0.5596 0.6455 0.4869 0.0251 -0.0528 0.0538 442 TRP A O 3400 C CB . TRP A 442 ? 0.5277 0.5969 0.4435 0.0432 -0.0603 0.0645 442 TRP A CB 3401 C CG . TRP A 442 ? 0.5347 0.5822 0.4454 0.0409 -0.0581 0.0649 442 TRP A CG 3402 C CD1 . TRP A 442 ? 0.5801 0.6106 0.4854 0.0469 -0.0596 0.0678 442 TRP A CD1 3403 C CD2 . TRP A 442 ? 0.5249 0.5657 0.4346 0.0315 -0.0542 0.0629 442 TRP A CD2 3404 N NE1 . TRP A 442 ? 0.5621 0.5775 0.4644 0.0406 -0.0573 0.0678 442 TRP A NE1 3405 C CE2 . TRP A 442 ? 0.5670 0.5897 0.4725 0.0319 -0.0538 0.0650 442 TRP A CE2 3406 C CE3 . TRP A 442 ? 0.5353 0.5832 0.4467 0.0232 -0.0512 0.0595 442 TRP A CE3 3407 C CZ2 . TRP A 442 ? 0.5601 0.5755 0.4651 0.0245 -0.0503 0.0644 442 TRP A CZ2 3408 C CZ3 . TRP A 442 ? 0.5464 0.5847 0.4560 0.0174 -0.0473 0.0585 442 TRP A CZ3 3409 C CH2 . TRP A 442 ? 0.5559 0.5799 0.4632 0.0182 -0.0468 0.0613 442 TRP A CH2 3410 N N . MET A 443 ? 0.5127 0.5809 0.4415 0.0348 -0.0505 0.0537 443 MET A N 3411 C CA . MET A 443 ? 0.4887 0.5525 0.4193 0.0272 -0.0462 0.0500 443 MET A CA 3412 C C . MET A 443 ? 0.5151 0.5937 0.4526 0.0237 -0.0442 0.0468 443 MET A C 3413 O O . MET A 443 ? 0.5067 0.5825 0.4447 0.0167 -0.0409 0.0440 443 MET A O 3414 C CB . MET A 443 ? 0.5091 0.5567 0.4381 0.0294 -0.0445 0.0495 443 MET A CB 3415 C CG . MET A 443 ? 0.5460 0.5791 0.4684 0.0275 -0.0454 0.0526 443 MET A CG 3416 S SD . MET A 443 ? 0.5829 0.5979 0.5032 0.0279 -0.0445 0.0525 443 MET A SD 3417 C CE . MET A 443 ? 0.5336 0.5524 0.4588 0.0214 -0.0398 0.0489 443 MET A CE 3418 N N . GLY A 444 ? 0.4642 0.5588 0.4067 0.0285 -0.0463 0.0478 444 GLY A N 3419 C CA . GLY A 444 ? 0.4689 0.5812 0.4189 0.0248 -0.0451 0.0460 444 GLY A CA 3420 C C . GLY A 444 ? 0.5061 0.6145 0.4592 0.0239 -0.0407 0.0433 444 GLY A C 3421 O O . GLY A 444 ? 0.4983 0.6013 0.4517 0.0320 -0.0398 0.0435 444 GLY A O 3422 N N . VAL A 445 ? 0.4414 0.5511 0.3956 0.0142 -0.0380 0.0409 445 VAL A N 3423 C CA . VAL A 445 ? 0.4262 0.5312 0.3823 0.0125 -0.0336 0.0388 445 VAL A CA 3424 C C . VAL A 445 ? 0.4598 0.5454 0.4096 0.0084 -0.0314 0.0373 445 VAL A C 3425 O O . VAL A 445 ? 0.4248 0.5076 0.3717 0.0004 -0.0302 0.0358 445 VAL A O 3426 C CB . VAL A 445 ? 0.4544 0.5738 0.4157 0.0047 -0.0319 0.0380 445 VAL A CB 3427 C CG1 . VAL A 445 ? 0.4359 0.5502 0.3985 0.0041 -0.0273 0.0367 445 VAL A CG1 3428 C CG2 . VAL A 445 ? 0.4488 0.5920 0.4175 0.0074 -0.0345 0.0403 445 VAL A CG2 3429 N N . PRO A 446 ? 0.4190 0.4912 0.3660 0.0136 -0.0311 0.0378 446 PRO A N 3430 C CA . PRO A 446 ? 0.4305 0.4883 0.3731 0.0098 -0.0290 0.0371 446 PRO A CA 3431 C C . PRO A 446 ? 0.4896 0.5441 0.4332 0.0061 -0.0249 0.0352 446 PRO A C 3432 O O . PRO A 446 ? 0.4469 0.5083 0.3943 0.0070 -0.0236 0.0345 446 PRO A O 3433 C CB . PRO A 446 ? 0.4509 0.4979 0.3911 0.0158 -0.0308 0.0388 446 PRO A CB 3434 C CG . PRO A 446 ? 0.5003 0.5534 0.4417 0.0232 -0.0339 0.0401 446 PRO A CG 3435 C CD . PRO A 446 ? 0.4417 0.5107 0.3888 0.0230 -0.0327 0.0389 446 PRO A CD 3436 N N . HIS A 447 ? 0.4908 0.5349 0.4306 0.0026 -0.0225 0.0347 447 HIS A N 3437 C CA . HIS A 447 ? 0.5150 0.5546 0.4547 -0.0001 -0.0186 0.0333 447 HIS A CA 3438 C C . HIS A 447 ? 0.5044 0.5425 0.4469 0.0045 -0.0181 0.0336 447 HIS A C 3439 O O . HIS A 447 ? 0.4883 0.5224 0.4307 0.0090 -0.0202 0.0346 447 HIS A O 3440 C CB . HIS A 447 ? 0.5596 0.5892 0.4945 -0.0028 -0.0160 0.0331 447 HIS A CB 3441 C CG . HIS A 447 ? 0.6165 0.6394 0.5516 0.0006 -0.0156 0.0350 447 HIS A CG 3442 N ND1 . HIS A 447 ? 0.6444 0.6617 0.5792 0.0009 -0.0124 0.0351 447 HIS A ND1 3443 C CD2 . HIS A 447 ? 0.6508 0.6723 0.5863 0.0032 -0.0184 0.0371 447 HIS A CD2 3444 C CE1 . HIS A 447 ? 0.6409 0.6559 0.5771 0.0033 -0.0136 0.0373 447 HIS A CE1 3445 N NE2 . HIS A 447 ? 0.6507 0.6671 0.5870 0.0042 -0.0172 0.0386 447 HIS A NE2 3446 N N . GLY A 448 ? 0.4443 0.4862 0.3885 0.0030 -0.0157 0.0328 448 GLY A N 3447 C CA . GLY A 448 ? 0.4248 0.4663 0.3704 0.0070 -0.0147 0.0329 448 GLY A CA 3448 C C . GLY A 448 ? 0.4629 0.5148 0.4117 0.0117 -0.0159 0.0328 448 GLY A C 3449 O O . GLY A 448 ? 0.4434 0.4958 0.3922 0.0149 -0.0145 0.0326 448 GLY A O 3450 N N . TYR A 449 ? 0.4220 0.4834 0.3731 0.0126 -0.0182 0.0333 449 TYR A N 3451 C CA . TYR A 449 ? 0.4175 0.4902 0.3717 0.0191 -0.0191 0.0336 449 TYR A CA 3452 C C . TYR A 449 ? 0.4650 0.5538 0.4242 0.0158 -0.0166 0.0342 449 TYR A C 3453 O O . TYR A 449 ? 0.4579 0.5600 0.4208 0.0214 -0.0168 0.0350 449 TYR A O 3454 C CB . TYR A 449 ? 0.4258 0.5006 0.3796 0.0242 -0.0232 0.0346 449 TYR A CB 3455 C CG . TYR A 449 ? 0.4304 0.4891 0.3788 0.0291 -0.0252 0.0344 449 TYR A CG 3456 C CD1 . TYR A 449 ? 0.4579 0.5121 0.4036 0.0369 -0.0256 0.0334 449 TYR A CD1 3457 C CD2 . TYR A 449 ? 0.4187 0.4661 0.3638 0.0251 -0.0265 0.0351 449 TYR A CD2 3458 C CE1 . TYR A 449 ? 0.4494 0.4870 0.3888 0.0396 -0.0281 0.0331 449 TYR A CE1 3459 C CE2 . TYR A 449 ? 0.4189 0.4525 0.3595 0.0277 -0.0286 0.0355 449 TYR A CE2 3460 C CZ . TYR A 449 ? 0.4917 0.5198 0.4293 0.0344 -0.0297 0.0344 449 TYR A CZ 3461 O OH . TYR A 449 ? 0.4994 0.5125 0.4315 0.0353 -0.0325 0.0347 449 TYR A OH 3462 N N . GLU A 450 ? 0.4270 0.5135 0.3857 0.0074 -0.0139 0.0340 450 GLU A N 3463 C CA . GLU A 450 ? 0.4191 0.5178 0.3815 0.0025 -0.0111 0.0351 450 GLU A CA 3464 C C . GLU A 450 ? 0.4511 0.5446 0.4116 0.0050 -0.0075 0.0353 450 GLU A C 3465 O O . GLU A 450 ? 0.4410 0.5463 0.4046 0.0043 -0.0049 0.0367 450 GLU A O 3466 C CB . GLU A 450 ? 0.4352 0.5314 0.3959 -0.0091 -0.0105 0.0349 450 GLU A CB 3467 C CG . GLU A 450 ? 0.4634 0.5418 0.4178 -0.0133 -0.0076 0.0342 450 GLU A CG 3468 C CD . GLU A 450 ? 0.5239 0.5859 0.4729 -0.0110 -0.0084 0.0328 450 GLU A CD 3469 O OE1 . GLU A 450 ? 0.5102 0.5718 0.4600 -0.0047 -0.0110 0.0326 450 GLU A OE1 3470 O OE2 . GLU A 450 ? 0.5002 0.5497 0.4438 -0.0152 -0.0063 0.0322 450 GLU A OE2 3471 N N . ILE A 451 ? 0.4211 0.4979 0.3763 0.0075 -0.0075 0.0342 451 ILE A N 3472 C CA . ILE A 451 ? 0.4012 0.4713 0.3533 0.0091 -0.0047 0.0345 451 ILE A CA 3473 C C . ILE A 451 ? 0.4542 0.5340 0.4073 0.0160 -0.0035 0.0347 451 ILE A C 3474 O O . ILE A 451 ? 0.4572 0.5417 0.4101 0.0142 0.0001 0.0361 451 ILE A O 3475 C CB . ILE A 451 ? 0.4239 0.4778 0.3713 0.0113 -0.0059 0.0336 451 ILE A CB 3476 C CG1 . ILE A 451 ? 0.4092 0.4545 0.3550 0.0055 -0.0060 0.0336 451 ILE A CG1 3477 C CG2 . ILE A 451 ? 0.4254 0.4743 0.3695 0.0130 -0.0036 0.0343 451 ILE A CG2 3478 C CD1 . ILE A 451 ? 0.4174 0.4509 0.3605 0.0082 -0.0075 0.0336 451 ILE A CD1 3479 N N . GLU A 452 ? 0.4132 0.4950 0.3661 0.0242 -0.0061 0.0334 452 GLU A N 3480 C CA . GLU A 452 ? 0.4153 0.5047 0.3673 0.0329 -0.0049 0.0330 452 GLU A CA 3481 C C . GLU A 452 ? 0.4698 0.5802 0.4279 0.0314 -0.0013 0.0353 452 GLU A C 3482 O O . GLU A 452 ? 0.4691 0.5861 0.4258 0.0363 0.0017 0.0356 452 GLU A O 3483 C CB . GLU A 452 ? 0.4314 0.5170 0.3809 0.0420 -0.0087 0.0312 452 GLU A CB 3484 C CG . GLU A 452 ? 0.5192 0.6148 0.4741 0.0418 -0.0109 0.0324 452 GLU A CG 3485 C CD . GLU A 452 ? 0.6749 0.7592 0.6256 0.0480 -0.0154 0.0313 452 GLU A CD 3486 O OE1 . GLU A 452 ? 0.7206 0.8103 0.6705 0.0574 -0.0163 0.0312 452 GLU A OE1 3487 O OE2 . GLU A 452 ? 0.6722 0.7416 0.6196 0.0439 -0.0177 0.0309 452 GLU A OE2 3488 N N . PHE A 453 ? 0.4326 0.5542 0.3971 0.0241 -0.0018 0.0370 453 PHE A N 3489 C CA . PHE A 453 ? 0.4235 0.5673 0.3952 0.0201 0.0010 0.0399 453 PHE A CA 3490 C C . PHE A 453 ? 0.4716 0.6139 0.4422 0.0107 0.0050 0.0419 453 PHE A C 3491 O O . PHE A 453 ? 0.4836 0.6402 0.4568 0.0110 0.0088 0.0444 453 PHE A O 3492 C CB . PHE A 453 ? 0.4390 0.5948 0.4171 0.0148 -0.0021 0.0410 453 PHE A CB 3493 C CG . PHE A 453 ? 0.4513 0.6132 0.4311 0.0253 -0.0054 0.0403 453 PHE A CG 3494 C CD1 . PHE A 453 ? 0.4697 0.6525 0.4548 0.0339 -0.0040 0.0421 453 PHE A CD1 3495 C CD2 . PHE A 453 ? 0.4644 0.6106 0.4398 0.0275 -0.0095 0.0384 453 PHE A CD2 3496 C CE1 . PHE A 453 ? 0.4829 0.6686 0.4679 0.0454 -0.0069 0.0416 453 PHE A CE1 3497 C CE2 . PHE A 453 ? 0.5000 0.6490 0.4754 0.0376 -0.0126 0.0383 453 PHE A CE2 3498 C CZ . PHE A 453 ? 0.4743 0.6419 0.4540 0.0469 -0.0114 0.0398 453 PHE A CZ 3499 N N . ILE A 454 ? 0.4131 0.5376 0.3791 0.0031 0.0044 0.0412 454 ILE A N 3500 C CA . ILE A 454 ? 0.4140 0.5319 0.3767 -0.0053 0.0079 0.0432 454 ILE A CA 3501 C C . ILE A 454 ? 0.4680 0.5813 0.4258 0.0013 0.0110 0.0438 454 ILE A C 3502 O O . ILE A 454 ? 0.4718 0.5901 0.4289 -0.0028 0.0149 0.0469 454 ILE A O 3503 C CB . ILE A 454 ? 0.4425 0.5407 0.3999 -0.0120 0.0065 0.0419 454 ILE A CB 3504 C CG1 . ILE A 454 ? 0.4398 0.5431 0.4001 -0.0201 0.0039 0.0414 454 ILE A CG1 3505 C CG2 . ILE A 454 ? 0.4263 0.5117 0.3775 -0.0178 0.0101 0.0439 454 ILE A CG2 3506 C CD1 . ILE A 454 ? 0.4991 0.5848 0.4541 -0.0211 0.0016 0.0389 454 ILE A CD1 3507 N N . PHE A 455 ? 0.4077 0.5111 0.3614 0.0107 0.0089 0.0411 455 PHE A N 3508 C CA . PHE A 455 ? 0.4029 0.5015 0.3507 0.0173 0.0107 0.0409 455 PHE A CA 3509 C C . PHE A 455 ? 0.4508 0.5663 0.4001 0.0248 0.0130 0.0413 455 PHE A C 3510 O O . PHE A 455 ? 0.4477 0.5624 0.3916 0.0293 0.0155 0.0416 455 PHE A O 3511 C CB . PHE A 455 ? 0.4095 0.4911 0.3517 0.0229 0.0069 0.0378 455 PHE A CB 3512 C CG . PHE A 455 ? 0.4104 0.4770 0.3491 0.0176 0.0068 0.0387 455 PHE A CG 3513 C CD1 . PHE A 455 ? 0.4328 0.4925 0.3734 0.0121 0.0052 0.0384 455 PHE A CD1 3514 C CD2 . PHE A 455 ? 0.4096 0.4694 0.3426 0.0190 0.0084 0.0400 455 PHE A CD2 3515 C CE1 . PHE A 455 ? 0.4269 0.4732 0.3639 0.0091 0.0056 0.0393 455 PHE A CE1 3516 C CE2 . PHE A 455 ? 0.4251 0.4720 0.3551 0.0157 0.0083 0.0413 455 PHE A CE2 3517 C CZ . PHE A 455 ? 0.3997 0.4401 0.3319 0.0112 0.0072 0.0409 455 PHE A CZ 3518 N N . GLY A 456 ? 0.4180 0.5494 0.3742 0.0267 0.0124 0.0414 456 GLY A N 3519 C CA . GLY A 456 ? 0.4124 0.5633 0.3713 0.0346 0.0153 0.0424 456 GLY A CA 3520 C C . GLY A 456 ? 0.4683 0.6144 0.4212 0.0486 0.0138 0.0387 456 GLY A C 3521 O O . GLY A 456 ? 0.4565 0.6142 0.4077 0.0568 0.0173 0.0390 456 GLY A O 3522 N N . LEU A 457 ? 0.4498 0.5785 0.3986 0.0516 0.0087 0.0353 457 LEU A N 3523 C CA . LEU A 457 ? 0.4606 0.5805 0.4019 0.0642 0.0064 0.0316 457 LEU A CA 3524 C C . LEU A 457 ? 0.5092 0.6476 0.4544 0.0741 0.0078 0.0321 457 LEU A C 3525 O O . LEU A 457 ? 0.5145 0.6520 0.4524 0.0854 0.0094 0.0300 457 LEU A O 3526 C CB . LEU A 457 ? 0.4560 0.5551 0.3933 0.0634 0.0005 0.0290 457 LEU A CB 3527 C CG . LEU A 457 ? 0.4971 0.5762 0.4260 0.0609 -0.0015 0.0271 457 LEU A CG 3528 C CD1 . LEU A 457 ? 0.4629 0.5416 0.3953 0.0500 0.0005 0.0298 457 LEU A CD1 3529 C CD2 . LEU A 457 ? 0.5158 0.5773 0.4407 0.0617 -0.0073 0.0248 457 LEU A CD2 3530 N N . PRO A 458 ? 0.4792 0.6363 0.4354 0.0706 0.0079 0.0352 458 PRO A N 3531 C CA . PRO A 458 ? 0.4782 0.6561 0.4389 0.0814 0.0096 0.0364 458 PRO A CA 3532 C C . PRO A 458 ? 0.5651 0.7604 0.5253 0.0882 0.0159 0.0378 458 PRO A C 3533 O O . PRO A 458 ? 0.5864 0.7956 0.5474 0.1008 0.0177 0.0380 458 PRO A O 3534 C CB . PRO A 458 ? 0.4769 0.6736 0.4504 0.0726 0.0081 0.0401 458 PRO A CB 3535 C CG . PRO A 458 ? 0.5240 0.7011 0.4957 0.0619 0.0039 0.0389 458 PRO A CG 3536 C CD . PRO A 458 ? 0.4761 0.6358 0.4402 0.0577 0.0057 0.0373 458 PRO A CD 3537 N N . LEU A 459 ? 0.5338 0.7278 0.4917 0.0811 0.0196 0.0390 459 LEU A N 3538 C CA . LEU A 459 ? 0.5511 0.7605 0.5071 0.0866 0.0261 0.0407 459 LEU A CA 3539 C C . LEU A 459 ? 0.6222 0.8172 0.5637 0.1019 0.0266 0.0358 459 LEU A C 3540 O O . LEU A 459 ? 0.6278 0.8368 0.5664 0.1111 0.0320 0.0364 459 LEU A O 3541 C CB . LEU A 459 ? 0.5459 0.7558 0.5024 0.0738 0.0295 0.0440 459 LEU A CB 3542 C CG . LEU A 459 ? 0.6019 0.8362 0.5717 0.0613 0.0324 0.0503 459 LEU A CG 3543 C CD1 . LEU A 459 ? 0.5979 0.8321 0.5764 0.0522 0.0272 0.0507 459 LEU A CD1 3544 C CD2 . LEU A 459 ? 0.6209 0.8490 0.5880 0.0495 0.0352 0.0533 459 LEU A CD2 3545 N N . ASP A 460 ? 0.5871 0.7542 0.5189 0.1042 0.0209 0.0309 460 ASP A N 3546 C CA . ASP A 460 ? 0.6018 0.7506 0.5178 0.1171 0.0198 0.0255 460 ASP A CA 3547 C C . ASP A 460 ? 0.6772 0.8311 0.5929 0.1312 0.0190 0.0241 460 ASP A C 3548 O O . ASP A 460 ? 0.6452 0.7914 0.5642 0.1296 0.0140 0.0238 460 ASP A O 3549 C CB . ASP A 460 ? 0.6187 0.7368 0.5256 0.1116 0.0134 0.0216 460 ASP A CB 3550 C CG . ASP A 460 ? 0.7135 0.8095 0.6024 0.1219 0.0112 0.0157 460 ASP A CG 3551 O OD1 . ASP A 460 ? 0.7190 0.8187 0.6009 0.1359 0.0137 0.0135 460 ASP A OD1 3552 O OD2 . ASP A 460 ? 0.8453 0.9199 0.7267 0.1161 0.0066 0.0133 460 ASP A OD2 3553 N N . PRO A 461 ? 0.6975 0.8641 0.6084 0.1458 0.0241 0.0234 461 PRO A N 3554 C CA . PRO A 461 ? 0.7190 0.8910 0.6293 0.1609 0.0236 0.0226 461 PRO A CA 3555 C C . PRO A 461 ? 0.8189 0.9581 0.7150 0.1683 0.0171 0.0171 461 PRO A C 3556 O O . PRO A 461 ? 0.8384 0.9791 0.7364 0.1769 0.0150 0.0176 461 PRO A O 3557 C CB . PRO A 461 ? 0.7479 0.9381 0.6537 0.1753 0.0312 0.0227 461 PRO A CB 3558 C CG . PRO A 461 ? 0.7920 0.9949 0.7015 0.1648 0.0361 0.0257 461 PRO A CG 3559 C CD . PRO A 461 ? 0.7280 0.9054 0.6333 0.1502 0.0308 0.0238 461 PRO A CD 3560 N N . SER A 462 ? 0.7903 0.9004 0.6727 0.1642 0.0134 0.0124 462 SER A N 3561 C CA . SER A 462 ? 0.8058 0.8827 0.6734 0.1686 0.0068 0.0073 462 SER A CA 3562 C C . SER A 462 ? 0.8495 0.9160 0.7246 0.1577 0.0003 0.0091 462 SER A C 3563 O O . SER A 462 ? 0.8597 0.9012 0.7241 0.1614 -0.0052 0.0061 462 SER A O 3564 C CB . SER A 462 ? 0.8681 0.9206 0.7186 0.1672 0.0049 0.0019 462 SER A CB 3565 O OG . SER A 462 ? 0.9562 1.0062 0.8125 0.1507 0.0029 0.0036 462 SER A OG 3566 N N . LEU A 463 ? 0.7966 0.8812 0.6885 0.1444 0.0009 0.0140 463 LEU A N 3567 C CA . LEU A 463 ? 0.7849 0.8614 0.6835 0.1338 -0.0044 0.0159 463 LEU A CA 3568 C C . LEU A 463 ? 0.8350 0.9238 0.7418 0.1391 -0.0057 0.0190 463 LEU A C 3569 O O . LEU A 463 ? 0.8429 0.9235 0.7530 0.1324 -0.0104 0.0203 463 LEU A O 3570 C CB . LEU A 463 ? 0.7677 0.8521 0.6769 0.1171 -0.0037 0.0188 463 LEU A CB 3571 C CG . LEU A 463 ? 0.8354 0.9054 0.7365 0.1111 -0.0037 0.0164 463 LEU A CG 3572 C CD1 . LEU A 463 ? 0.8100 0.8871 0.7211 0.0964 -0.0028 0.0197 463 LEU A CD1 3573 C CD2 . LEU A 463 ? 0.8882 0.9283 0.7761 0.1117 -0.0099 0.0123 463 LEU A CD2 3574 N N . ASN A 464 ? 0.7780 0.8864 0.6872 0.1520 -0.0016 0.0202 464 ASN A N 3575 C CA . ASN A 464 ? 0.7874 0.9091 0.7028 0.1609 -0.0027 0.0232 464 ASN A CA 3576 C C . ASN A 464 ? 0.7770 0.9220 0.7102 0.1493 -0.0037 0.0286 464 ASN A C 3577 O O . ASN A 464 ? 0.7939 0.9435 0.7306 0.1541 -0.0068 0.0310 464 ASN A O 3578 C CB . ASN A 464 ? 0.8774 0.9693 0.7790 0.1697 -0.0084 0.0205 464 ASN A CB 3579 C CG . ASN A 464 ? 1.3051 1.3720 1.1867 0.1829 -0.0082 0.0148 464 ASN A CG 3580 O OD1 . ASN A 464 ? 1.1264 1.2022 1.0038 0.1912 -0.0028 0.0129 464 ASN A OD1 3581 N ND2 . ASN A 464 ? 1.4233 1.4580 1.2915 0.1845 -0.0142 0.0123 464 ASN A ND2 3582 N N . TYR A 465 ? 0.6392 0.8002 0.5828 0.1355 -0.0010 0.0308 465 TYR A N 3583 C CA . TYR A 465 ? 0.5946 0.7786 0.5536 0.1245 -0.0017 0.0355 465 TYR A CA 3584 C C . TYR A 465 ? 0.6308 0.8494 0.6001 0.1338 0.0020 0.0396 465 TYR A C 3585 O O . TYR A 465 ? 0.6294 0.8555 0.5948 0.1459 0.0067 0.0388 465 TYR A O 3586 C CB . TYR A 465 ? 0.5714 0.7594 0.5362 0.1076 0.0004 0.0365 465 TYR A CB 3587 C CG . TYR A 465 ? 0.5625 0.7223 0.5202 0.0976 -0.0030 0.0338 465 TYR A CG 3588 C CD1 . TYR A 465 ? 0.5768 0.7164 0.5237 0.0989 -0.0022 0.0302 465 TYR A CD1 3589 C CD2 . TYR A 465 ? 0.5588 0.7140 0.5209 0.0866 -0.0070 0.0349 465 TYR A CD2 3590 C CE1 . TYR A 465 ? 0.5538 0.6717 0.4960 0.0894 -0.0051 0.0285 465 TYR A CE1 3591 C CE2 . TYR A 465 ? 0.5682 0.7002 0.5247 0.0781 -0.0094 0.0329 465 TYR A CE2 3592 C CZ . TYR A 465 ? 0.6561 0.7707 0.6035 0.0796 -0.0084 0.0300 465 TYR A CZ 3593 O OH . TYR A 465 ? 0.7259 0.8212 0.6692 0.0714 -0.0108 0.0287 465 TYR A OH 3594 N N . THR A 466 ? 0.5566 0.7973 0.5387 0.1283 -0.0002 0.0439 466 THR A N 3595 C CA . THR A 466 ? 0.5372 0.8153 0.5313 0.1354 0.0028 0.0487 466 THR A CA 3596 C C . THR A 466 ? 0.5761 0.8780 0.5794 0.1256 0.0087 0.0514 466 THR A C 3597 O O . THR A 466 ? 0.5362 0.8252 0.5374 0.1116 0.0093 0.0501 466 THR A O 3598 C CB . THR A 466 ? 0.5588 0.8541 0.5637 0.1310 -0.0022 0.0528 466 THR A CB 3599 O OG1 . THR A 466 ? 0.5943 0.8950 0.6069 0.1104 -0.0038 0.0542 466 THR A OG1 3600 C CG2 . THR A 466 ? 0.4980 0.7688 0.4937 0.1381 -0.0082 0.0510 466 THR A CG2 3601 N N . THR A 467 ? 0.5493 0.8869 0.5631 0.1329 0.0130 0.0560 467 THR A N 3602 C CA . THR A 467 ? 0.5433 0.9087 0.5672 0.1239 0.0188 0.0601 467 THR A CA 3603 C C . THR A 467 ? 0.5577 0.9302 0.5914 0.1009 0.0156 0.0629 467 THR A C 3604 O O . THR A 467 ? 0.5635 0.9357 0.5981 0.0877 0.0188 0.0638 467 THR A O 3605 C CB . THR A 467 ? 0.7051 1.1097 0.7393 0.1378 0.0232 0.0650 467 THR A CB 3606 O OG1 . THR A 467 ? 0.7740 1.1656 0.7952 0.1593 0.0266 0.0612 467 THR A OG1 3607 C CG2 . THR A 467 ? 0.6731 1.1115 0.7196 0.1277 0.0293 0.0706 467 THR A CG2 3608 N N . GLU A 468 ? 0.4854 0.8620 0.5248 0.0968 0.0093 0.0641 468 GLU A N 3609 C CA A GLU A 468 ? 0.4699 0.8507 0.5162 0.0760 0.0053 0.0659 468 GLU A CA 3610 C CA B GLU A 468 ? 0.4711 0.8507 0.5171 0.0762 0.0049 0.0657 468 GLU A CA 3611 C C . GLU A 468 ? 0.4984 0.8426 0.5335 0.0643 0.0043 0.0613 468 GLU A C 3612 O O . GLU A 468 ? 0.4875 0.8328 0.5253 0.0477 0.0053 0.0625 468 GLU A O 3613 C CB A GLU A 468 ? 0.4836 0.8743 0.5356 0.0766 -0.0015 0.0676 468 GLU A CB 3614 C CB B GLU A 468 ? 0.4861 0.8653 0.5339 0.0779 -0.0025 0.0660 468 GLU A CB 3615 C CG A GLU A 468 ? 0.6161 1.0495 0.6821 0.0851 -0.0008 0.0736 468 GLU A CG 3616 C CG B GLU A 468 ? 0.6376 1.0529 0.6972 0.0878 -0.0038 0.0711 468 GLU A CG 3617 C CD A GLU A 468 ? 0.8462 1.2883 0.9102 0.1092 0.0035 0.0740 468 GLU A CD 3618 C CD B GLU A 468 ? 0.8038 1.2147 0.8630 0.0886 -0.0115 0.0713 468 GLU A CD 3619 O OE1 A GLU A 468 ? 0.8100 1.2873 0.8847 0.1141 0.0084 0.0788 468 GLU A OE1 3620 O OE1 B GLU A 468 ? 0.5543 0.9389 0.6023 0.1007 -0.0137 0.0681 468 GLU A OE1 3621 O OE2 A GLU A 468 ? 0.7077 1.1206 0.7584 0.1230 0.0022 0.0696 468 GLU A OE2 3622 O OE2 B GLU A 468 ? 0.7003 1.1331 0.7695 0.0762 -0.0156 0.0748 468 GLU A OE2 3623 N N . GLU A 469 ? 0.4391 0.7514 0.4615 0.0733 0.0025 0.0563 469 GLU A N 3624 C CA . GLU A 469 ? 0.4362 0.7150 0.4481 0.0651 0.0016 0.0521 469 GLU A CA 3625 C C . GLU A 469 ? 0.4882 0.7629 0.4966 0.0611 0.0073 0.0519 469 GLU A C 3626 O O . GLU A 469 ? 0.4838 0.7437 0.4892 0.0482 0.0072 0.0510 469 GLU A O 3627 C CB . GLU A 469 ? 0.4569 0.7072 0.4570 0.0765 -0.0017 0.0478 469 GLU A CB 3628 C CG . GLU A 469 ? 0.5145 0.7610 0.5158 0.0753 -0.0079 0.0481 469 GLU A CG 3629 C CD . GLU A 469 ? 0.5197 0.7379 0.5094 0.0849 -0.0113 0.0448 469 GLU A CD 3630 O OE1 . GLU A 469 ? 0.5082 0.7194 0.4910 0.0991 -0.0096 0.0431 469 GLU A OE1 3631 O OE2 . GLU A 469 ? 0.5403 0.7425 0.5268 0.0779 -0.0155 0.0438 469 GLU A OE2 3632 N N . ARG A 470 ? 0.4647 0.7537 0.4733 0.0728 0.0124 0.0529 470 ARG A N 3633 C CA . ARG A 470 ? 0.4662 0.7552 0.4713 0.0706 0.0184 0.0534 470 ARG A CA 3634 C C . ARG A 470 ? 0.4928 0.8021 0.5079 0.0538 0.0208 0.0586 470 ARG A C 3635 O O . ARG A 470 ? 0.5028 0.7987 0.5134 0.0434 0.0226 0.0586 470 ARG A O 3636 C CB . ARG A 470 ? 0.5087 0.8095 0.5105 0.0882 0.0235 0.0533 470 ARG A CB 3637 C CG . ARG A 470 ? 0.7176 0.9965 0.7077 0.1050 0.0207 0.0480 470 ARG A CG 3638 C CD . ARG A 470 ? 0.8969 1.1797 0.8789 0.1226 0.0259 0.0464 470 ARG A CD 3639 N NE . ARG A 470 ? 0.9363 1.1868 0.9022 0.1344 0.0227 0.0401 470 ARG A NE 3640 C CZ . ARG A 470 ? 1.0830 1.3294 1.0441 0.1501 0.0207 0.0384 470 ARG A CZ 3641 N NH1 . ARG A 470 ? 1.0468 1.3218 1.0188 0.1576 0.0218 0.0425 470 ARG A NH1 3642 N NH2 . ARG A 470 ? 0.8093 1.0231 0.7543 0.1582 0.0173 0.0327 470 ARG A NH2 3643 N N . ILE A 471 ? 0.4408 0.7812 0.4691 0.0505 0.0202 0.0631 471 ILE A N 3644 C CA . ILE A 471 ? 0.4343 0.7959 0.4729 0.0327 0.0214 0.0685 471 ILE A CA 3645 C C . ILE A 471 ? 0.4507 0.7893 0.4854 0.0159 0.0164 0.0665 471 ILE A C 3646 O O . ILE A 471 ? 0.4546 0.7887 0.4883 0.0014 0.0183 0.0683 471 ILE A O 3647 C CB . ILE A 471 ? 0.4739 0.8768 0.5279 0.0344 0.0209 0.0739 471 ILE A CB 3648 C CG1 . ILE A 471 ? 0.4866 0.9151 0.5444 0.0501 0.0278 0.0768 471 ILE A CG1 3649 C CG2 . ILE A 471 ? 0.4676 0.8899 0.5320 0.0127 0.0195 0.0789 471 ILE A CG2 3650 C CD1 . ILE A 471 ? 0.5846 1.0490 0.6549 0.0616 0.0270 0.0806 471 ILE A CD1 3651 N N . PHE A 472 ? 0.3949 0.7178 0.4263 0.0187 0.0105 0.0628 472 PHE A N 3652 C CA . PHE A 472 ? 0.3775 0.6776 0.4038 0.0056 0.0060 0.0602 472 PHE A CA 3653 C C . PHE A 472 ? 0.4397 0.7084 0.4543 0.0025 0.0083 0.0572 472 PHE A C 3654 O O . PHE A 472 ? 0.4515 0.7101 0.4635 -0.0118 0.0083 0.0577 472 PHE A O 3655 C CB . PHE A 472 ? 0.3831 0.6749 0.4077 0.0118 -0.0001 0.0574 472 PHE A CB 3656 C CG . PHE A 472 ? 0.3933 0.6614 0.4114 0.0009 -0.0044 0.0544 472 PHE A CG 3657 C CD1 . PHE A 472 ? 0.4303 0.7020 0.4504 -0.0163 -0.0059 0.0558 472 PHE A CD1 3658 C CD2 . PHE A 472 ? 0.3955 0.6381 0.4048 0.0080 -0.0071 0.0504 472 PHE A CD2 3659 C CE1 . PHE A 472 ? 0.4386 0.6876 0.4509 -0.0250 -0.0095 0.0525 472 PHE A CE1 3660 C CE2 . PHE A 472 ? 0.4374 0.6603 0.4407 -0.0010 -0.0104 0.0480 472 PHE A CE2 3661 C CZ . PHE A 472 ? 0.4250 0.6510 0.4294 -0.0167 -0.0114 0.0488 472 PHE A CZ 3662 N N . ALA A 473 ? 0.3964 0.6505 0.4034 0.0158 0.0102 0.0544 473 ALA A N 3663 C CA . ALA A 473 ? 0.4039 0.6313 0.4004 0.0143 0.0121 0.0520 473 ALA A CA 3664 C C . ALA A 473 ? 0.4858 0.7195 0.4829 0.0043 0.0171 0.0558 473 ALA A C 3665 O O . ALA A 473 ? 0.4919 0.7067 0.4831 -0.0054 0.0173 0.0555 473 ALA A O 3666 C CB . ALA A 473 ? 0.4150 0.6314 0.4040 0.0300 0.0130 0.0488 473 ALA A CB 3667 N N . GLN A 474 ? 0.4450 0.7055 0.4489 0.0071 0.0215 0.0598 474 GLN A N 3668 C CA . GLN A 474 ? 0.4406 0.7113 0.4458 -0.0022 0.0268 0.0647 474 GLN A CA 3669 C C . GLN A 474 ? 0.4734 0.7436 0.4818 -0.0215 0.0249 0.0673 474 GLN A C 3670 O O . GLN A 474 ? 0.4705 0.7273 0.4730 -0.0313 0.0273 0.0691 474 GLN A O 3671 C CB . GLN A 474 ? 0.4532 0.7581 0.4672 0.0044 0.0315 0.0690 474 GLN A CB 3672 C CG . GLN A 474 ? 0.6012 0.9045 0.6087 0.0230 0.0350 0.0666 474 GLN A CG 3673 C CD . GLN A 474 ? 0.7601 1.0985 0.7760 0.0314 0.0401 0.0708 474 GLN A CD 3674 O OE1 . GLN A 474 ? 0.7274 1.0939 0.7560 0.0286 0.0394 0.0745 474 GLN A OE1 3675 N NE2 . GLN A 474 ? 0.7536 1.0924 0.7624 0.0425 0.0454 0.0704 474 GLN A NE2 3676 N N . ARG A 475 ? 0.4345 0.7177 0.4506 -0.0267 0.0204 0.0675 475 ARG A N 3677 C CA . ARG A 475 ? 0.4503 0.7312 0.4677 -0.0454 0.0175 0.0690 475 ARG A CA 3678 C C . ARG A 475 ? 0.4855 0.7288 0.4902 -0.0506 0.0154 0.0647 475 ARG A C 3679 O O . ARG A 475 ? 0.4799 0.7112 0.4795 -0.0642 0.0164 0.0664 475 ARG A O 3680 C CB . ARG A 475 ? 0.4772 0.7795 0.5044 -0.0481 0.0121 0.0694 475 ARG A CB 3681 C CG . ARG A 475 ? 0.6345 0.9392 0.6631 -0.0689 0.0089 0.0714 475 ARG A CG 3682 C CD . ARG A 475 ? 0.5923 0.9307 0.6339 -0.0743 0.0048 0.0746 475 ARG A CD 3683 N NE . ARG A 475 ? 0.4621 0.8053 0.5065 -0.0610 0.0005 0.0716 475 ARG A NE 3684 C CZ . ARG A 475 ? 0.5552 0.8838 0.5947 -0.0642 -0.0056 0.0677 475 ARG A CZ 3685 N NH1 . ARG A 475 ? 0.4374 0.7457 0.4686 -0.0800 -0.0081 0.0657 475 ARG A NH1 3686 N NH2 . ARG A 475 ? 0.4272 0.7608 0.4690 -0.0513 -0.0090 0.0659 475 ARG A NH2 3687 N N . LEU A 476 ? 0.4405 0.6653 0.4396 -0.0396 0.0128 0.0597 476 LEU A N 3688 C CA . LEU A 476 ? 0.4498 0.6419 0.4379 -0.0421 0.0111 0.0559 476 LEU A CA 3689 C C . LEU A 476 ? 0.5037 0.6779 0.4834 -0.0420 0.0154 0.0567 476 LEU A C 3690 O O . LEU A 476 ? 0.5221 0.6755 0.4941 -0.0505 0.0155 0.0563 476 LEU A O 3691 C CB . LEU A 476 ? 0.4516 0.6322 0.4371 -0.0304 0.0074 0.0512 476 LEU A CB 3692 C CG . LEU A 476 ? 0.5130 0.7060 0.5043 -0.0302 0.0024 0.0502 476 LEU A CG 3693 C CD1 . LEU A 476 ? 0.5102 0.6899 0.4977 -0.0187 -0.0004 0.0466 476 LEU A CD1 3694 C CD2 . LEU A 476 ? 0.5493 0.7370 0.5386 -0.0450 -0.0005 0.0498 476 LEU A CD2 3695 N N . MET A 477 ? 0.4380 0.6195 0.4181 -0.0315 0.0189 0.0578 477 MET A N 3696 C CA . MET A 477 ? 0.4339 0.6022 0.4063 -0.0300 0.0230 0.0592 477 MET A CA 3697 C C . MET A 477 ? 0.4836 0.6537 0.4551 -0.0445 0.0262 0.0642 477 MET A C 3698 O O . MET A 477 ? 0.4974 0.6463 0.4598 -0.0485 0.0277 0.0651 477 MET A O 3699 C CB . MET A 477 ? 0.4597 0.6412 0.4331 -0.0172 0.0263 0.0598 477 MET A CB 3700 C CG . MET A 477 ? 0.5066 0.6802 0.4774 -0.0030 0.0232 0.0547 477 MET A CG 3701 S SD . MET A 477 ? 0.5712 0.7607 0.5414 0.0124 0.0268 0.0547 477 MET A SD 3702 C CE . MET A 477 ? 0.5116 0.6829 0.4703 0.0133 0.0297 0.0552 477 MET A CE 3703 N N . LYS A 478 ? 0.4230 0.6184 0.4037 -0.0525 0.0268 0.0680 478 LYS A N 3704 C CA . LYS A 478 ? 0.4395 0.6393 0.4203 -0.0686 0.0292 0.0734 478 LYS A CA 3705 C C . LYS A 478 ? 0.4932 0.6694 0.4668 -0.0816 0.0257 0.0715 478 LYS A C 3706 O O . LYS A 478 ? 0.4975 0.6566 0.4626 -0.0907 0.0280 0.0742 478 LYS A O 3707 C CB . LYS A 478 ? 0.4763 0.7126 0.4704 -0.0741 0.0300 0.0779 478 LYS A CB 3708 C CG . LYS A 478 ? 0.7222 0.9810 0.7207 -0.0691 0.0363 0.0832 478 LYS A CG 3709 C CD . LYS A 478 ? 0.9382 1.1908 0.9312 -0.0825 0.0407 0.0893 478 LYS A CD 3710 C CE . LYS A 478 ? 1.0655 1.3440 1.0632 -0.0786 0.0475 0.0954 478 LYS A CE 3711 N NZ . LYS A 478 ? 1.1024 1.3735 1.0934 -0.0605 0.0506 0.0927 478 LYS A NZ 3712 N N . TYR A 479 ? 0.4428 0.6164 0.4182 -0.0821 0.0203 0.0671 479 TYR A N 3713 C CA . TYR A 479 ? 0.4425 0.5922 0.4089 -0.0932 0.0170 0.0644 479 TYR A CA 3714 C C . TYR A 479 ? 0.4756 0.5923 0.4289 -0.0886 0.0189 0.0624 479 TYR A C 3715 O O . TYR A 479 ? 0.4707 0.5673 0.4143 -0.0986 0.0200 0.0636 479 TYR A O 3716 C CB . TYR A 479 ? 0.4440 0.5955 0.4131 -0.0914 0.0113 0.0596 479 TYR A CB 3717 C CG . TYR A 479 ? 0.4572 0.6397 0.4383 -0.0967 0.0080 0.0613 479 TYR A CG 3718 C CD1 . TYR A 479 ? 0.4888 0.6865 0.4739 -0.1128 0.0080 0.0659 479 TYR A CD1 3719 C CD2 . TYR A 479 ? 0.4543 0.6499 0.4421 -0.0868 0.0044 0.0587 479 TYR A CD2 3720 C CE1 . TYR A 479 ? 0.4809 0.7100 0.4782 -0.1182 0.0045 0.0680 479 TYR A CE1 3721 C CE2 . TYR A 479 ? 0.4693 0.6943 0.4682 -0.0909 0.0010 0.0608 479 TYR A CE2 3722 C CZ . TYR A 479 ? 0.5539 0.7970 0.5581 -0.1065 0.0009 0.0654 479 TYR A CZ 3723 O OH . TYR A 479 ? 0.5038 0.7792 0.5202 -0.1102 -0.0027 0.0679 479 TYR A OH 3724 N N . TRP A 480 ? 0.4276 0.5391 0.3805 -0.0733 0.0191 0.0595 480 TRP A N 3725 C CA . TRP A 480 ? 0.4429 0.5275 0.3855 -0.0669 0.0203 0.0577 480 TRP A CA 3726 C C . TRP A 480 ? 0.5123 0.5882 0.4484 -0.0688 0.0250 0.0623 480 TRP A C 3727 O O . TRP A 480 ? 0.5180 0.5693 0.4434 -0.0720 0.0260 0.0626 480 TRP A O 3728 C CB . TRP A 480 ? 0.4136 0.4994 0.3588 -0.0516 0.0187 0.0542 480 TRP A CB 3729 C CG . TRP A 480 ? 0.4166 0.4901 0.3596 -0.0490 0.0147 0.0495 480 TRP A CG 3730 C CD1 . TRP A 480 ? 0.4446 0.4994 0.3816 -0.0418 0.0143 0.0471 480 TRP A CD1 3731 C CD2 . TRP A 480 ? 0.4119 0.4931 0.3589 -0.0532 0.0108 0.0471 480 TRP A CD2 3732 N NE1 . TRP A 480 ? 0.4267 0.4769 0.3635 -0.0415 0.0108 0.0435 480 TRP A NE1 3733 C CE2 . TRP A 480 ? 0.4400 0.5052 0.3822 -0.0483 0.0085 0.0433 480 TRP A CE2 3734 C CE3 . TRP A 480 ? 0.4327 0.5347 0.3872 -0.0607 0.0088 0.0482 480 TRP A CE3 3735 C CZ2 . TRP A 480 ? 0.4366 0.5042 0.3799 -0.0505 0.0046 0.0405 480 TRP A CZ2 3736 C CZ3 . TRP A 480 ? 0.4408 0.5453 0.3966 -0.0630 0.0043 0.0453 480 TRP A CZ3 3737 C CH2 . TRP A 480 ? 0.4494 0.5361 0.3991 -0.0578 0.0023 0.0414 480 TRP A CH2 3738 N N . THR A 481 ? 0.4787 0.5746 0.4204 -0.0666 0.0282 0.0663 481 THR A N 3739 C CA . THR A 481 ? 0.4851 0.5749 0.4204 -0.0682 0.0330 0.0714 481 THR A CA 3740 C C . THR A 481 ? 0.5448 0.6307 0.4766 -0.0850 0.0346 0.0761 481 THR A C 3741 O O . THR A 481 ? 0.5637 0.6304 0.4852 -0.0884 0.0374 0.0794 481 THR A O 3742 C CB . THR A 481 ? 0.5192 0.6296 0.4595 -0.0585 0.0362 0.0736 481 THR A CB 3743 O OG1 . THR A 481 ? 0.5294 0.6692 0.4811 -0.0616 0.0365 0.0752 481 THR A OG1 3744 C CG2 . THR A 481 ? 0.4870 0.5935 0.4266 -0.0428 0.0341 0.0687 481 THR A CG2 3745 N N . ASN A 482 ? 0.4847 0.5874 0.4241 -0.0961 0.0326 0.0766 482 ASN A N 3746 C CA . ASN A 482 ? 0.5000 0.5968 0.4350 -0.1145 0.0331 0.0808 482 ASN A CA 3747 C C . ASN A 482 ? 0.5538 0.6145 0.4747 -0.1189 0.0309 0.0773 482 ASN A C 3748 O O . ASN A 482 ? 0.5723 0.6125 0.4820 -0.1279 0.0330 0.0807 482 ASN A O 3749 C CB . ASN A 482 ? 0.5216 0.6450 0.4679 -0.1260 0.0303 0.0818 482 ASN A CB 3750 C CG . ASN A 482 ? 0.6870 0.8476 0.6467 -0.1250 0.0335 0.0872 482 ASN A CG 3751 O OD1 . ASN A 482 ? 0.6197 0.7849 0.5781 -0.1217 0.0387 0.0919 482 ASN A OD1 3752 N ND2 . ASN A 482 ? 0.6438 0.8326 0.6163 -0.1267 0.0305 0.0867 482 ASN A ND2 3753 N N . PHE A 483 ? 0.5110 0.5632 0.4314 -0.1113 0.0271 0.0706 483 PHE A N 3754 C CA . PHE A 483 ? 0.5137 0.5329 0.4205 -0.1123 0.0255 0.0667 483 PHE A CA 3755 C C . PHE A 483 ? 0.5880 0.5842 0.4842 -0.1037 0.0294 0.0687 483 PHE A C 3756 O O . PHE A 483 ? 0.5999 0.5693 0.4826 -0.1098 0.0306 0.0699 483 PHE A O 3757 C CB . PHE A 483 ? 0.5122 0.5305 0.4214 -0.1043 0.0214 0.0599 483 PHE A CB 3758 C CG . PHE A 483 ? 0.5324 0.5180 0.4272 -0.1040 0.0207 0.0560 483 PHE A CG 3759 C CD1 . PHE A 483 ? 0.5912 0.5602 0.4757 -0.1178 0.0189 0.0546 483 PHE A CD1 3760 C CD2 . PHE A 483 ? 0.5404 0.5113 0.4307 -0.0901 0.0222 0.0542 483 PHE A CD2 3761 C CE1 . PHE A 483 ? 0.6137 0.5504 0.4827 -0.1162 0.0191 0.0509 483 PHE A CE1 3762 C CE2 . PHE A 483 ? 0.5843 0.5263 0.4611 -0.0885 0.0224 0.0513 483 PHE A CE2 3763 C CZ . PHE A 483 ? 0.5827 0.5070 0.4483 -0.1008 0.0212 0.0495 483 PHE A CZ 3764 N N . ALA A 484 ? 0.5550 0.5609 0.4564 -0.0896 0.0310 0.0691 484 ALA A N 3765 C CA . ALA A 484 ? 0.5668 0.5551 0.4595 -0.0808 0.0340 0.0715 484 ALA A CA 3766 C C . ALA A 484 ? 0.6393 0.6193 0.5241 -0.0898 0.0380 0.0785 484 ALA A C 3767 O O . ALA A 484 ? 0.6640 0.6176 0.5359 -0.0890 0.0397 0.0804 484 ALA A O 3768 C CB . ALA A 484 ? 0.5570 0.5613 0.4571 -0.0666 0.0343 0.0709 484 ALA A CB 3769 N N . ARG A 485 ? 0.5988 0.6013 0.4909 -0.0983 0.0396 0.0827 485 ARG A N 3770 C CA . ARG A 485 ? 0.6137 0.6126 0.4998 -0.1081 0.0437 0.0903 485 ARG A CA 3771 C C . ARG A 485 ? 0.6866 0.6626 0.5618 -0.1247 0.0430 0.0918 485 ARG A C 3772 O O . ARG A 485 ? 0.7002 0.6551 0.5629 -0.1294 0.0459 0.0970 485 ARG A O 3773 C CB . ARG A 485 ? 0.6118 0.6460 0.5105 -0.1123 0.0459 0.0947 485 ARG A CB 3774 C CG . ARG A 485 ? 0.8113 0.8652 0.7164 -0.0970 0.0482 0.0950 485 ARG A CG 3775 C CD . ARG A 485 ? 0.8801 0.9680 0.7959 -0.1009 0.0516 0.0999 485 ARG A CD 3776 N NE . ARG A 485 ? 0.8343 0.9482 0.7642 -0.1010 0.0486 0.0963 485 ARG A NE 3777 C CZ . ARG A 485 ? 0.9058 1.0398 0.8443 -0.0874 0.0481 0.0928 485 ARG A CZ 3778 N NH1 . ARG A 485 ? 0.6809 0.8128 0.6154 -0.0734 0.0502 0.0921 485 ARG A NH1 3779 N NH2 . ARG A 485 ? 0.6461 0.8015 0.5964 -0.0877 0.0452 0.0901 485 ARG A NH2 3780 N N . THR A 486 ? 0.6487 0.6288 0.5275 -0.1343 0.0390 0.0877 486 THR A N 3781 C CA . THR A 486 ? 0.6544 0.6158 0.5230 -0.1527 0.0376 0.0890 486 THR A CA 3782 C C . THR A 486 ? 0.7175 0.6533 0.5760 -0.1550 0.0335 0.0818 486 THR A C 3783 O O . THR A 486 ? 0.7332 0.6476 0.5796 -0.1698 0.0322 0.0823 486 THR A O 3784 C CB . THR A 486 ? 0.6586 0.6519 0.5400 -0.1680 0.0365 0.0925 486 THR A CB 3785 O OG1 . THR A 486 ? 0.6637 0.6789 0.5575 -0.1645 0.0320 0.0866 486 THR A OG1 3786 C CG2 . THR A 486 ? 0.5489 0.5701 0.4400 -0.1667 0.0413 0.1002 486 THR A CG2 3787 N N . GLY A 487 ? 0.6617 0.6007 0.5249 -0.1416 0.0312 0.0753 487 GLY A N 3788 C CA . GLY A 487 ? 0.6646 0.5844 0.5196 -0.1427 0.0274 0.0682 487 GLY A CA 3789 C C . GLY A 487 ? 0.6991 0.6383 0.5620 -0.1555 0.0226 0.0657 487 GLY A C 3790 O O . GLY A 487 ? 0.7117 0.6349 0.5659 -0.1610 0.0190 0.0603 487 GLY A O 3791 N N . ASP A 488 ? 0.6248 0.5999 0.5042 -0.1595 0.0225 0.0696 488 ASP A N 3792 C CA . ASP A 488 ? 0.6071 0.6082 0.4972 -0.1710 0.0179 0.0688 488 ASP A CA 3793 C C . ASP A 488 ? 0.6290 0.6691 0.5389 -0.1598 0.0183 0.0700 488 ASP A C 3794 O O . ASP A 488 ? 0.6046 0.6606 0.5212 -0.1565 0.0225 0.0755 488 ASP A O 3795 C CB . ASP A 488 ? 0.6441 0.6479 0.5318 -0.1922 0.0180 0.0748 488 ASP A CB 3796 C CG . ASP A 488 ? 0.7589 0.7855 0.6548 -0.2081 0.0124 0.0743 488 ASP A CG 3797 O OD1 . ASP A 488 ? 0.7393 0.7921 0.6485 -0.2010 0.0093 0.0714 488 ASP A OD1 3798 O OD2 . ASP A 488 ? 0.8830 0.9019 0.7719 -0.2280 0.0109 0.0774 488 ASP A OD2 3799 N N . PRO A 489 ? 0.5838 0.6392 0.5022 -0.1535 0.0141 0.0651 489 PRO A N 3800 C CA . PRO A 489 ? 0.5518 0.6410 0.4870 -0.1416 0.0146 0.0662 489 PRO A CA 3801 C C . PRO A 489 ? 0.6174 0.7432 0.5668 -0.1509 0.0146 0.0719 489 PRO A C 3802 O O . PRO A 489 ? 0.6036 0.7567 0.5656 -0.1404 0.0163 0.0737 489 PRO A O 3803 C CB . PRO A 489 ? 0.5578 0.6473 0.4950 -0.1335 0.0099 0.0597 489 PRO A CB 3804 C CG . PRO A 489 ? 0.6234 0.6948 0.5500 -0.1478 0.0057 0.0565 489 PRO A CG 3805 C CD . PRO A 489 ? 0.5950 0.6361 0.5065 -0.1557 0.0090 0.0584 489 PRO A CD 3806 N N . ASN A 490 ? 0.6130 0.7395 0.5599 -0.1706 0.0127 0.0746 490 ASN A N 3807 C CA . ASN A 490 ? 0.6223 0.7853 0.5831 -0.1822 0.0122 0.0807 490 ASN A CA 3808 C C . ASN A 490 ? 0.7189 0.8945 0.6837 -0.1826 0.0189 0.0884 490 ASN A C 3809 O O . ASN A 490 ? 0.7071 0.8558 0.6594 -0.1839 0.0227 0.0902 490 ASN A O 3810 C CB . ASN A 490 ? 0.6044 0.7617 0.5597 -0.2053 0.0072 0.0811 490 ASN A CB 3811 C CG . ASN A 490 ? 0.7308 0.8822 0.6831 -0.2067 0.0001 0.0741 490 ASN A CG 3812 O OD1 . ASN A 490 ? 0.6140 0.7953 0.5798 -0.2018 -0.0034 0.0734 490 ASN A OD1 3813 N ND2 . ASN A 490 ? 0.5544 0.6669 0.4880 -0.2129 -0.0021 0.0690 490 ASN A ND2 3814 N N . ASP A 491 ? 0.7342 0.9510 0.7159 -0.1807 0.0206 0.0934 491 ASP A N 3815 C CA . ASP A 491 ? 0.7697 1.0028 0.7557 -0.1812 0.0275 0.1012 491 ASP A CA 3816 C C . ASP A 491 ? 0.9046 1.1463 0.8914 -0.2060 0.0270 0.1082 491 ASP A C 3817 O O . ASP A 491 ? 0.8839 1.1517 0.8815 -0.2169 0.0225 0.1094 491 ASP A O 3818 C CB . ASP A 491 ? 0.7806 1.0530 0.7829 -0.1655 0.0305 0.1032 491 ASP A CB 3819 C CG . ASP A 491 ? 0.9633 1.2504 0.9679 -0.1632 0.0383 0.1105 491 ASP A CG 3820 O OD1 . ASP A 491 ? 1.0944 1.3633 1.0904 -0.1498 0.0424 0.1091 491 ASP A OD1 3821 O OD2 . ASP A 491 ? 0.9652 1.2820 0.9796 -0.1754 0.0404 0.1181 491 ASP A OD2 3822 N N . PRO A 492 ? 0.9518 1.1705 0.9264 -0.2158 0.0309 0.1128 492 PRO A N 3823 C CA . PRO A 492 ? 0.9955 1.2180 0.9687 -0.2414 0.0301 0.1197 492 PRO A CA 3824 C C . PRO A 492 ? 1.0955 1.3675 1.0875 -0.2495 0.0327 0.1286 492 PRO A C 3825 O O . PRO A 492 ? 1.1079 1.3914 1.1032 -0.2716 0.0294 0.1331 492 PRO A O 3826 C CB . PRO A 492 ? 1.0360 1.2208 0.9908 -0.2458 0.0346 0.1230 492 PRO A CB 3827 C CG . PRO A 492 ? 1.0792 1.2360 1.0244 -0.2241 0.0360 0.1162 492 PRO A CG 3828 C CD . PRO A 492 ? 0.9864 1.1739 0.9471 -0.2048 0.0360 0.1125 492 PRO A CD 3829 N N . ARG A 493 ? 1.0703 1.3710 1.0737 -0.2322 0.0387 0.1315 493 ARG A N 3830 C CA . ARG A 493 ? 1.0786 1.4294 1.1003 -0.2363 0.0426 0.1403 493 ARG A CA 3831 C C . ARG A 493 ? 1.1323 1.5232 1.1730 -0.2267 0.0389 0.1378 493 ARG A C 3832 O O . ARG A 493 ? 1.1218 1.5564 1.1785 -0.2210 0.0431 0.1437 493 ARG A O 3833 C CB . ARG A 493 ? 1.0875 1.4463 1.1085 -0.2245 0.0521 0.1461 493 ARG A CB 3834 C CG . ARG A 493 ? 1.2248 1.5774 1.2437 -0.1965 0.0548 0.1395 493 ARG A CG 3835 C CD . ARG A 493 ? 1.4277 1.7792 1.4407 -0.1871 0.0633 0.1444 493 ARG A CD 3836 N NE . ARG A 493 ? 1.5690 1.9114 1.5781 -0.1617 0.0647 0.1374 493 ARG A NE 3837 C CZ . ARG A 493 ? 1.7619 2.0640 1.7556 -0.1533 0.0634 0.1315 493 ARG A CZ 3838 N NH1 . ARG A 493 ? 1.6071 1.8734 1.5873 -0.1664 0.0611 0.1316 493 ARG A NH1 3839 N NH2 . ARG A 493 ? 1.5858 1.8833 1.5772 -0.1317 0.0642 0.1257 493 ARG A NH2 3840 N N . ASP A 494 ? 1.0969 1.4725 1.1347 -0.2250 0.0312 0.1295 494 ASP A N 3841 C CA . ASP A 494 ? 1.0842 1.4910 1.1369 -0.2161 0.0265 0.1265 494 ASP A CA 3842 C C . ASP A 494 ? 1.1602 1.5540 1.2089 -0.2308 0.0169 0.1216 494 ASP A C 3843 O O . ASP A 494 ? 1.1572 1.5265 1.1979 -0.2211 0.0126 0.1130 494 ASP A O 3844 C CB . ASP A 494 ? 1.0868 1.4888 1.1393 -0.1876 0.0287 0.1202 494 ASP A CB 3845 C CG . ASP A 494 ? 1.2041 1.6356 1.2705 -0.1753 0.0245 0.1174 494 ASP A CG 3846 O OD1 . ASP A 494 ? 1.2063 1.6792 1.2886 -0.1832 0.0230 0.1232 494 ASP A OD1 3847 O OD2 . ASP A 494 ? 1.2812 1.6953 1.3425 -0.1577 0.0227 0.1100 494 ASP A OD2 3848 N N . SER A 495 ? 1.1409 1.5513 1.1945 -0.2552 0.0135 0.1273 495 SER A N 3849 C CA . SER A 495 ? 1.1547 1.5556 1.2038 -0.2730 0.0040 0.1236 495 SER A CA 3850 C C . SER A 495 ? 1.1753 1.6181 1.2424 -0.2683 -0.0019 0.1232 495 SER A C 3851 O O . SER A 495 ? 1.1825 1.6177 1.2455 -0.2778 -0.0105 0.1184 495 SER A O 3852 C CB . SER A 495 ? 1.2440 1.6410 1.2882 -0.3028 0.0024 0.1299 495 SER A CB 3853 O OG . SER A 495 ? 1.4011 1.7535 1.4258 -0.3067 0.0070 0.1297 495 SER A OG 3854 N N . LYS A 496 ? 1.0896 1.5749 1.1751 -0.2516 0.0029 0.1279 496 LYS A N 3855 C CA . LYS A 496 ? 1.0545 1.5828 1.1583 -0.2420 -0.0011 0.1287 496 LYS A CA 3856 C C . LYS A 496 ? 1.0394 1.5454 1.1360 -0.2238 -0.0057 0.1187 496 LYS A C 3857 O O . LYS A 496 ? 1.0306 1.5523 1.1331 -0.2263 -0.0135 0.1169 496 LYS A O 3858 C CB . LYS A 496 ? 1.0714 1.6435 1.1927 -0.2257 0.0069 0.1358 496 LYS A CB 3859 N N . SER A 497 ? 0.9393 1.4094 1.0230 -0.2060 -0.0011 0.1128 497 SER A N 3860 C CA . SER A 497 ? 0.9035 1.3477 0.9786 -0.1891 -0.0043 0.1039 497 SER A CA 3861 C C . SER A 497 ? 0.9100 1.3190 0.9696 -0.2046 -0.0117 0.0977 497 SER A C 3862 O O . SER A 497 ? 0.9248 1.3112 0.9736 -0.2226 -0.0113 0.0986 497 SER A O 3863 C CB . SER A 497 ? 0.9408 1.3563 1.0058 -0.1707 0.0025 0.1004 497 SER A CB 3864 O OG . SER A 497 ? 1.0269 1.4703 1.1030 -0.1543 0.0091 0.1046 497 SER A OG 3865 N N . PRO A 498 ? 0.8112 1.2134 0.8681 -0.1979 -0.0182 0.0915 498 PRO A N 3866 C CA . PRO A 498 ? 0.7961 1.1646 0.8366 -0.2119 -0.0247 0.0853 498 PRO A CA 3867 C C . PRO A 498 ? 0.7714 1.0904 0.7921 -0.2114 -0.0206 0.0806 498 PRO A C 3868 O O . PRO A 498 ? 0.7569 1.0639 0.7757 -0.1940 -0.0147 0.0795 498 PRO A O 3869 C CB . PRO A 498 ? 0.8124 1.1845 0.8542 -0.1989 -0.0303 0.0802 498 PRO A CB 3870 C CG . PRO A 498 ? 0.8621 1.2787 0.9239 -0.1846 -0.0288 0.0855 498 PRO A CG 3871 C CD . PRO A 498 ? 0.8059 1.2281 0.8724 -0.1770 -0.0196 0.0900 498 PRO A CD 3872 N N . GLN A 499 ? 0.6883 0.9798 0.6942 -0.2308 -0.0238 0.0785 499 GLN A N 3873 C CA . GLN A 499 ? 0.6663 0.9110 0.6527 -0.2310 -0.0200 0.0748 499 GLN A CA 3874 C C . GLN A 499 ? 0.6540 0.8675 0.6271 -0.2200 -0.0226 0.0659 499 GLN A C 3875 O O . GLN A 499 ? 0.6294 0.8499 0.6029 -0.2216 -0.0291 0.0623 499 GLN A O 3876 C CB . GLN A 499 ? 0.7065 0.9334 0.6814 -0.2562 -0.0215 0.0770 499 GLN A CB 3877 C CG . GLN A 499 ? 0.7563 1.0145 0.7445 -0.2681 -0.0181 0.0869 499 GLN A CG 3878 C CD . GLN A 499 ? 0.8849 1.1452 0.8774 -0.2532 -0.0087 0.0912 499 GLN A CD 3879 O OE1 . GLN A 499 ? 0.7862 1.0111 0.7640 -0.2517 -0.0043 0.0902 499 GLN A OE1 3880 N NE2 . GLN A 499 ? 0.7162 1.0179 0.7281 -0.2411 -0.0056 0.0958 499 GLN A NE2 3881 N N . TRP A 500 ? 0.5928 0.7742 0.5547 -0.2080 -0.0173 0.0631 500 TRP A N 3882 C CA . TRP A 500 ? 0.5779 0.7278 0.5266 -0.1969 -0.0182 0.0555 500 TRP A CA 3883 C C . TRP A 500 ? 0.6525 0.7635 0.5800 -0.2119 -0.0193 0.0522 500 TRP A C 3884 O O . TRP A 500 ? 0.6621 0.7515 0.5810 -0.2146 -0.0144 0.0544 500 TRP A O 3885 C CB . TRP A 500 ? 0.5389 0.6784 0.4880 -0.1768 -0.0116 0.0554 500 TRP A CB 3886 C CG . TRP A 500 ? 0.5418 0.6563 0.4813 -0.1630 -0.0118 0.0489 500 TRP A CG 3887 C CD1 . TRP A 500 ? 0.5878 0.6758 0.5123 -0.1671 -0.0151 0.0429 500 TRP A CD1 3888 C CD2 . TRP A 500 ? 0.5196 0.6319 0.4626 -0.1432 -0.0081 0.0480 500 TRP A CD2 3889 N NE1 . TRP A 500 ? 0.5577 0.6305 0.4780 -0.1507 -0.0134 0.0390 500 TRP A NE1 3890 C CE2 . TRP A 500 ? 0.5541 0.6410 0.4857 -0.1366 -0.0095 0.0421 500 TRP A CE2 3891 C CE3 . TRP A 500 ? 0.5178 0.6484 0.4723 -0.1306 -0.0041 0.0516 500 TRP A CE3 3892 C CZ2 . TRP A 500 ? 0.5299 0.6106 0.4625 -0.1192 -0.0072 0.0403 500 TRP A CZ2 3893 C CZ3 . TRP A 500 ? 0.5178 0.6387 0.4713 -0.1135 -0.0022 0.0490 500 TRP A CZ3 3894 C CH2 . TRP A 500 ? 0.5261 0.6234 0.4696 -0.1085 -0.0040 0.0437 500 TRP A CH2 3895 N N . PRO A 501 ? 0.6202 0.7214 0.5380 -0.2225 -0.0259 0.0472 501 PRO A N 3896 C CA . PRO A 501 ? 0.6381 0.6992 0.5334 -0.2362 -0.0269 0.0435 501 PRO A CA 3897 C C . PRO A 501 ? 0.6704 0.6920 0.5489 -0.2220 -0.0232 0.0375 501 PRO A C 3898 O O . PRO A 501 ? 0.6256 0.6517 0.5083 -0.2052 -0.0228 0.0345 501 PRO A O 3899 C CB . PRO A 501 ? 0.6682 0.7364 0.5595 -0.2513 -0.0357 0.0399 501 PRO A CB 3900 C CG . PRO A 501 ? 0.6996 0.7964 0.6050 -0.2371 -0.0384 0.0387 501 PRO A CG 3901 C CD . PRO A 501 ? 0.6258 0.7491 0.5506 -0.2216 -0.0327 0.0445 501 PRO A CD 3902 N N . PRO A 502 ? 0.6574 0.6401 0.5163 -0.2279 -0.0204 0.0361 502 PRO A N 3903 C CA . PRO A 502 ? 0.6576 0.6046 0.5005 -0.2136 -0.0169 0.0306 502 PRO A CA 3904 C C . PRO A 502 ? 0.7064 0.6440 0.5393 -0.2122 -0.0219 0.0228 502 PRO A C 3905 O O . PRO A 502 ? 0.6808 0.6244 0.5102 -0.2274 -0.0284 0.0206 502 PRO A O 3906 C CB . PRO A 502 ? 0.7137 0.6219 0.5362 -0.2237 -0.0143 0.0310 502 PRO A CB 3907 C CG . PRO A 502 ? 0.7748 0.7023 0.6070 -0.2395 -0.0143 0.0388 502 PRO A CG 3908 C CD . PRO A 502 ? 0.7032 0.6714 0.5526 -0.2478 -0.0205 0.0397 502 PRO A CD 3909 N N . TYR A 503 ? 0.6555 0.5808 0.4844 -0.1940 -0.0189 0.0190 503 TYR A N 3910 C CA . TYR A 503 ? 0.6505 0.5635 0.4679 -0.1901 -0.0220 0.0119 503 TYR A CA 3911 C C . TYR A 503 ? 0.7572 0.6263 0.5473 -0.1980 -0.0215 0.0067 503 TYR A C 3912 O O . TYR A 503 ? 0.7625 0.6055 0.5428 -0.1929 -0.0158 0.0078 503 TYR A O 3913 C CB . TYR A 503 ? 0.6372 0.5518 0.4601 -0.1680 -0.0178 0.0108 503 TYR A CB 3914 C CG . TYR A 503 ? 0.6513 0.5547 0.4626 -0.1630 -0.0201 0.0042 503 TYR A CG 3915 C CD1 . TYR A 503 ? 0.6947 0.5612 0.4840 -0.1588 -0.0170 -0.0010 503 TYR A CD1 3916 C CD2 . TYR A 503 ? 0.6406 0.5700 0.4617 -0.1621 -0.0252 0.0034 503 TYR A CD2 3917 C CE1 . TYR A 503 ? 0.6944 0.5512 0.4718 -0.1543 -0.0186 -0.0070 503 TYR A CE1 3918 C CE2 . TYR A 503 ? 0.6598 0.5791 0.4692 -0.1579 -0.0272 -0.0022 503 TYR A CE2 3919 C CZ . TYR A 503 ? 0.7750 0.6584 0.5625 -0.1543 -0.0237 -0.0075 503 TYR A CZ 3920 O OH . TYR A 503 ? 0.8095 0.6836 0.5847 -0.1494 -0.0250 -0.0130 503 TYR A OH 3921 N N . THR A 504 ? 0.7525 0.6126 0.5291 -0.2101 -0.0275 0.0011 504 THR A N 3922 C CA . THR A 504 ? 0.8008 0.6173 0.5485 -0.2183 -0.0279 -0.0050 504 THR A CA 3923 C C . THR A 504 ? 0.8729 0.6798 0.6073 -0.2133 -0.0308 -0.0129 504 THR A C 3924 O O . THR A 504 ? 0.8227 0.6596 0.5702 -0.2115 -0.0351 -0.0130 504 THR A O 3925 C CB . THR A 504 ? 0.8992 0.7121 0.6401 -0.2439 -0.0337 -0.0040 504 THR A CB 3926 O OG1 . THR A 504 ? 0.8889 0.7351 0.6414 -0.2546 -0.0417 -0.0042 504 THR A OG1 3927 C CG2 . THR A 504 ? 0.8027 0.6238 0.5548 -0.2508 -0.0305 0.0044 504 THR A CG2 3928 N N . THR A 505 ? 0.9056 0.6705 0.6128 -0.2112 -0.0287 -0.0195 505 THR A N 3929 C CA . THR A 505 ? 0.9296 0.6839 0.6215 -0.2068 -0.0311 -0.0273 505 THR A CA 3930 C C . THR A 505 ? 0.9988 0.7641 0.6862 -0.2268 -0.0410 -0.0306 505 THR A C 3931 O O . THR A 505 ? 0.9948 0.7753 0.6835 -0.2234 -0.0448 -0.0338 505 THR A O 3932 C CB . THR A 505 ? 1.0761 0.7837 0.7394 -0.1979 -0.0257 -0.0336 505 THR A CB 3933 O OG1 . THR A 505 ? 1.0387 0.7128 0.6815 -0.2135 -0.0271 -0.0354 505 THR A OG1 3934 C CG2 . THR A 505 ? 1.0600 0.7638 0.7303 -0.1753 -0.0164 -0.0302 505 THR A CG2 3935 N N . ALA A 506 ? 0.9802 0.7418 0.6644 -0.2478 -0.0454 -0.0288 506 ALA A N 3936 C CA . ALA A 506 ? 1.0050 0.7790 0.6859 -0.2693 -0.0556 -0.0311 506 ALA A CA 3937 C C . ALA A 506 ? 1.0328 0.8609 0.7433 -0.2707 -0.0607 -0.0255 506 ALA A C 3938 O O . ALA A 506 ? 1.0629 0.9044 0.7713 -0.2732 -0.0671 -0.0292 506 ALA A O 3939 C CB . ALA A 506 ? 1.0437 0.7988 0.7136 -0.2922 -0.0587 -0.0297 506 ALA A CB 3940 N N . ALA A 507 ? 0.9139 0.7725 0.6505 -0.2687 -0.0581 -0.0166 507 ALA A N 3941 C CA . ALA A 507 ? 0.8544 0.7640 0.6188 -0.2695 -0.0624 -0.0108 507 ALA A CA 3942 C C . ALA A 507 ? 0.8338 0.7654 0.6155 -0.2460 -0.0581 -0.0086 507 ALA A C 3943 O O . ALA A 507 ? 0.7966 0.7647 0.5955 -0.2442 -0.0626 -0.0058 507 ALA A O 3944 C CB . ALA A 507 ? 0.8534 0.7860 0.6353 -0.2819 -0.0624 -0.0025 507 ALA A CB 3945 N N . GLN A 508 ? 0.7637 0.6739 0.5413 -0.2284 -0.0497 -0.0093 508 GLN A N 3946 C CA . GLN A 508 ? 0.7190 0.6449 0.5106 -0.2066 -0.0453 -0.0074 508 GLN A CA 3947 C C . GLN A 508 ? 0.6943 0.6642 0.5150 -0.2027 -0.0461 0.0003 508 GLN A C 3948 O O . GLN A 508 ? 0.6430 0.6351 0.4756 -0.1911 -0.0472 0.0014 508 GLN A O 3949 C CB . GLN A 508 ? 0.7299 0.6507 0.5108 -0.1995 -0.0479 -0.0133 508 GLN A CB 3950 C CG . GLN A 508 ? 0.8315 0.7089 0.5828 -0.2001 -0.0460 -0.0212 508 GLN A CG 3951 C CD . GLN A 508 ? 0.9285 0.8049 0.6691 -0.1951 -0.0492 -0.0266 508 GLN A CD 3952 O OE1 . GLN A 508 ? 0.7878 0.6802 0.5390 -0.1800 -0.0471 -0.0248 508 GLN A OE1 3953 N NE2 . GLN A 508 ? 0.8029 0.6602 0.5214 -0.2085 -0.0546 -0.0332 508 GLN A NE2 3954 N N . GLN A 509 ? 0.6530 0.6343 0.4838 -0.2121 -0.0452 0.0057 509 GLN A N 3955 C CA . GLN A 509 ? 0.6242 0.6465 0.4809 -0.2088 -0.0454 0.0130 509 GLN A CA 3956 C C . GLN A 509 ? 0.6457 0.6726 0.5142 -0.1892 -0.0382 0.0163 509 GLN A C 3957 O O . GLN A 509 ? 0.6467 0.6493 0.5077 -0.1840 -0.0321 0.0162 509 GLN A O 3958 C CB . GLN A 509 ? 0.6495 0.6861 0.5131 -0.2269 -0.0471 0.0181 509 GLN A CB 3959 C CG . GLN A 509 ? 0.6896 0.7324 0.5467 -0.2481 -0.0559 0.0162 509 GLN A CG 3960 C CD . GLN A 509 ? 0.8228 0.8687 0.6813 -0.2678 -0.0566 0.0208 509 GLN A CD 3961 O OE1 . GLN A 509 ? 0.8113 0.8229 0.6536 -0.2748 -0.0533 0.0196 509 GLN A OE1 3962 N NE2 . GLN A 509 ? 0.6746 0.7618 0.5521 -0.2772 -0.0609 0.0267 509 GLN A NE2 3963 N N . TYR A 510 ? 0.5706 0.6288 0.4570 -0.1785 -0.0393 0.0193 510 TYR A N 3964 C CA . TYR A 510 ? 0.5371 0.6048 0.4363 -0.1607 -0.0339 0.0226 510 TYR A CA 3965 C C . TYR A 510 ? 0.5803 0.6891 0.5007 -0.1586 -0.0362 0.0281 510 TYR A C 3966 O O . TYR A 510 ? 0.5761 0.7061 0.5012 -0.1689 -0.0423 0.0291 510 TYR A O 3967 C CB . TYR A 510 ? 0.5301 0.5830 0.4233 -0.1448 -0.0320 0.0189 510 TYR A CB 3968 C CG . TYR A 510 ? 0.5493 0.6182 0.4455 -0.1415 -0.0376 0.0174 510 TYR A CG 3969 C CD1 . TYR A 510 ? 0.5804 0.6399 0.4629 -0.1515 -0.0428 0.0129 510 TYR A CD1 3970 C CD2 . TYR A 510 ? 0.5349 0.6260 0.4455 -0.1281 -0.0378 0.0205 510 TYR A CD2 3971 C CE1 . TYR A 510 ? 0.5529 0.6276 0.4373 -0.1484 -0.0482 0.0121 510 TYR A CE1 3972 C CE2 . TYR A 510 ? 0.5358 0.6406 0.4482 -0.1247 -0.0430 0.0199 510 TYR A CE2 3973 C CZ . TYR A 510 ? 0.5935 0.6905 0.4930 -0.1347 -0.0481 0.0159 510 TYR A CZ 3974 O OH . TYR A 510 ? 0.5828 0.6935 0.4833 -0.1312 -0.0533 0.0157 510 TYR A OH 3975 N N . VAL A 511 ? 0.5269 0.6473 0.4594 -0.1453 -0.0315 0.0318 511 VAL A N 3976 C CA . VAL A 511 ? 0.4967 0.6550 0.4482 -0.1412 -0.0328 0.0370 511 VAL A CA 3977 C C . VAL A 511 ? 0.5151 0.6816 0.4736 -0.1224 -0.0323 0.0369 511 VAL A C 3978 O O . VAL A 511 ? 0.4891 0.6337 0.4407 -0.1118 -0.0290 0.0343 511 VAL A O 3979 C CB . VAL A 511 ? 0.5223 0.6935 0.4832 -0.1438 -0.0280 0.0424 511 VAL A CB 3980 C CG1 . VAL A 511 ? 0.5328 0.7001 0.4884 -0.1647 -0.0291 0.0439 511 VAL A CG1 3981 C CG2 . VAL A 511 ? 0.5097 0.6619 0.4674 -0.1310 -0.0211 0.0423 511 VAL A CG2 3982 N N . SER A 512 ? 0.4800 0.6788 0.4524 -0.1181 -0.0354 0.0404 512 SER A N 3983 C CA . SER A 512 ? 0.4615 0.6692 0.4407 -0.1000 -0.0350 0.0412 512 SER A CA 3984 C C . SER A 512 ? 0.4892 0.7090 0.4785 -0.0908 -0.0295 0.0450 512 SER A C 3985 O O . SER A 512 ? 0.4752 0.7173 0.4738 -0.0972 -0.0285 0.0491 512 SER A O 3986 C CB . SER A 512 ? 0.4957 0.7307 0.4830 -0.0986 -0.0413 0.0431 512 SER A CB 3987 O OG . SER A 512 ? 0.5321 0.7979 0.5311 -0.1079 -0.0432 0.0476 512 SER A OG 3988 N N . LEU A 513 ? 0.4377 0.6422 0.4244 -0.0766 -0.0259 0.0435 513 LEU A N 3989 C CA . LEU A 513 ? 0.4201 0.6323 0.4135 -0.0660 -0.0210 0.0461 513 LEU A CA 3990 C C . LEU A 513 ? 0.4654 0.6914 0.4652 -0.0507 -0.0230 0.0470 513 LEU A C 3991 O O . LEU A 513 ? 0.4445 0.6540 0.4383 -0.0422 -0.0243 0.0444 513 LEU A O 3992 C CB . LEU A 513 ? 0.4214 0.6052 0.4058 -0.0617 -0.0162 0.0438 513 LEU A CB 3993 C CG . LEU A 513 ? 0.4826 0.6482 0.4587 -0.0744 -0.0135 0.0433 513 LEU A CG 3994 C CD1 . LEU A 513 ? 0.4678 0.6098 0.4367 -0.0670 -0.0089 0.0420 513 LEU A CD1 3995 C CD2 . LEU A 513 ? 0.4741 0.6593 0.4571 -0.0847 -0.0117 0.0478 513 LEU A CD2 3996 N N . ASN A 514 ? 0.4286 0.6857 0.4404 -0.0476 -0.0235 0.0510 514 ASN A N 3997 C CA . ASN A 514 ? 0.4315 0.7041 0.4495 -0.0321 -0.0252 0.0526 514 ASN A CA 3998 C C . ASN A 514 ? 0.4890 0.7929 0.5193 -0.0271 -0.0222 0.0573 514 ASN A C 3999 O O . ASN A 514 ? 0.4552 0.7662 0.4885 -0.0360 -0.0185 0.0592 514 ASN A O 4000 C CB . ASN A 514 ? 0.4162 0.6955 0.4341 -0.0333 -0.0320 0.0525 514 ASN A CB 4001 C CG . ASN A 514 ? 0.5490 0.8497 0.5723 -0.0486 -0.0362 0.0546 514 ASN A CG 4002 O OD1 . ASN A 514 ? 0.4923 0.8192 0.5260 -0.0537 -0.0350 0.0585 514 ASN A OD1 4003 N ND2 . ASN A 514 ? 0.4698 0.7604 0.4857 -0.0566 -0.0413 0.0521 514 ASN A ND2 4004 N N . LEU A 515 ? 0.4824 0.8048 0.5192 -0.0126 -0.0234 0.0594 515 LEU A N 4005 C CA . LEU A 515 ? 0.4834 0.8368 0.5316 -0.0050 -0.0197 0.0640 515 LEU A CA 4006 C C . LEU A 515 ? 0.5219 0.9094 0.5823 -0.0188 -0.0211 0.0689 515 LEU A C 4007 O O . LEU A 515 ? 0.5284 0.9405 0.5979 -0.0175 -0.0167 0.0731 515 LEU A O 4008 C CB . LEU A 515 ? 0.4844 0.8470 0.5349 0.0156 -0.0205 0.0650 515 LEU A CB 4009 C CG . LEU A 515 ? 0.5416 0.8723 0.5801 0.0294 -0.0194 0.0606 515 LEU A CG 4010 C CD1 . LEU A 515 ? 0.5405 0.8802 0.5803 0.0486 -0.0208 0.0621 515 LEU A CD1 4011 C CD2 . LEU A 515 ? 0.5434 0.8596 0.5767 0.0315 -0.0130 0.0586 515 LEU A CD2 4012 N N . LYS A 516 ? 0.4703 0.8588 0.5301 -0.0328 -0.0272 0.0685 516 LYS A N 4013 C CA . LYS A 516 ? 0.4711 0.8900 0.5412 -0.0487 -0.0298 0.0729 516 LYS A CA 4014 C C . LYS A 516 ? 0.5296 0.9358 0.5954 -0.0667 -0.0266 0.0725 516 LYS A C 4015 O O . LYS A 516 ? 0.5197 0.8904 0.5727 -0.0678 -0.0242 0.0679 516 LYS A O 4016 C CB . LYS A 516 ? 0.4898 0.9125 0.5586 -0.0571 -0.0384 0.0721 516 LYS A CB 4017 C CG . LYS A 516 ? 0.6508 1.0882 0.7240 -0.0403 -0.0423 0.0737 516 LYS A CG 4018 C CD . LYS A 516 ? 0.7947 1.2462 0.8693 -0.0500 -0.0510 0.0747 516 LYS A CD 4019 C CE . LYS A 516 ? 0.9601 1.3782 1.0195 -0.0514 -0.0552 0.0692 516 LYS A CE 4020 N NZ . LYS A 516 ? 1.0826 1.5184 1.1436 -0.0565 -0.0638 0.0708 516 LYS A NZ 4021 N N . PRO A 517 ? 0.5009 0.9346 0.5765 -0.0815 -0.0266 0.0776 517 PRO A N 4022 C CA . PRO A 517 ? 0.5030 0.9205 0.5722 -0.0998 -0.0240 0.0774 517 PRO A CA 4023 C C . PRO A 517 ? 0.5415 0.9233 0.5951 -0.1122 -0.0285 0.0714 517 PRO A C 4024 O O . PRO A 517 ? 0.5227 0.9037 0.5740 -0.1116 -0.0348 0.0690 517 PRO A O 4025 C CB . PRO A 517 ? 0.5217 0.9789 0.6050 -0.1148 -0.0255 0.0843 517 PRO A CB 4026 C CG . PRO A 517 ? 0.5609 1.0575 0.6598 -0.0987 -0.0252 0.0889 517 PRO A CG 4027 C CD . PRO A 517 ? 0.5109 0.9918 0.6035 -0.0833 -0.0292 0.0842 517 PRO A CD 4028 N N . LEU A 518 ? 0.5066 0.8589 0.5487 -0.1224 -0.0252 0.0693 518 LEU A N 4029 C CA . LEU A 518 ? 0.5140 0.8304 0.5397 -0.1330 -0.0284 0.0635 518 LEU A CA 4030 C C . LEU A 518 ? 0.5585 0.8855 0.5839 -0.1473 -0.0367 0.0628 518 LEU A C 4031 O O . LEU A 518 ? 0.5442 0.8995 0.5792 -0.1607 -0.0393 0.0675 518 LEU A O 4032 C CB . LEU A 518 ? 0.5282 0.8214 0.5442 -0.1467 -0.0245 0.0637 518 LEU A CB 4033 C CG . LEU A 518 ? 0.5781 0.8449 0.5863 -0.1370 -0.0176 0.0623 518 LEU A CG 4034 C CD1 . LEU A 518 ? 0.6003 0.8410 0.5962 -0.1526 -0.0156 0.0621 518 LEU A CD1 4035 C CD2 . LEU A 518 ? 0.5961 0.8381 0.5958 -0.1220 -0.0178 0.0566 518 LEU A CD2 4036 N N . GLU A 519 ? 0.5342 0.8385 0.5479 -0.1453 -0.0408 0.0571 519 GLU A N 4037 C CA . GLU A 519 ? 0.5406 0.8491 0.5501 -0.1585 -0.0490 0.0552 519 GLU A CA 4038 C C . GLU A 519 ? 0.5954 0.8604 0.5836 -0.1674 -0.0493 0.0485 519 GLU A C 4039 O O . GLU A 519 ? 0.5805 0.8177 0.5595 -0.1555 -0.0453 0.0447 519 GLU A O 4040 C CB . GLU A 519 ? 0.5520 0.8762 0.5666 -0.1448 -0.0536 0.0549 519 GLU A CB 4041 C CG . GLU A 519 ? 0.7051 1.0346 0.7145 -0.1560 -0.0626 0.0528 519 GLU A CG 4042 C CD . GLU A 519 ? 0.9186 1.2551 0.9292 -0.1410 -0.0665 0.0522 519 GLU A CD 4043 O OE1 . GLU A 519 ? 0.9411 1.3116 0.9670 -0.1313 -0.0679 0.0575 519 GLU A OE1 4044 O OE2 . GLU A 519 ? 0.6747 0.9826 0.6704 -0.1380 -0.0676 0.0468 519 GLU A OE2 4045 N N . VAL A 520 ? 0.5624 0.8215 0.5425 -0.1882 -0.0537 0.0473 520 VAL A N 4046 C CA . VAL A 520 ? 0.5670 0.7838 0.5250 -0.1971 -0.0540 0.0408 520 VAL A CA 4047 C C . VAL A 520 ? 0.6205 0.8300 0.5686 -0.1965 -0.0606 0.0355 520 VAL A C 4048 O O . VAL A 520 ? 0.6130 0.8485 0.5671 -0.2041 -0.0679 0.0370 520 VAL A O 4049 C CB . VAL A 520 ? 0.6184 0.8271 0.5695 -0.2202 -0.0553 0.0418 520 VAL A CB 4050 C CG1 . VAL A 520 ? 0.6340 0.7962 0.5598 -0.2282 -0.0556 0.0346 520 VAL A CG1 4051 C CG2 . VAL A 520 ? 0.6039 0.8205 0.5644 -0.2206 -0.0483 0.0478 520 VAL A CG2 4052 N N . ARG A 521 ? 0.5786 0.7548 0.5117 -0.1868 -0.0579 0.0298 521 ARG A N 4053 C CA . ARG A 521 ? 0.5785 0.7431 0.4992 -0.1853 -0.0628 0.0245 521 ARG A CA 4054 C C . ARG A 521 ? 0.6371 0.7593 0.5340 -0.1934 -0.0615 0.0178 521 ARG A C 4055 O O . ARG A 521 ? 0.6155 0.7164 0.5070 -0.1949 -0.0558 0.0176 521 ARG A O 4056 C CB . ARG A 521 ? 0.5661 0.7329 0.4916 -0.1640 -0.0605 0.0246 521 ARG A CB 4057 C CG . ARG A 521 ? 0.5844 0.7900 0.5308 -0.1545 -0.0622 0.0307 521 ARG A CG 4058 C CD . ARG A 521 ? 0.5779 0.7807 0.5266 -0.1344 -0.0599 0.0308 521 ARG A CD 4059 N NE . ARG A 521 ? 0.5546 0.7894 0.5220 -0.1234 -0.0597 0.0367 521 ARG A NE 4060 C CZ . ARG A 521 ? 0.6774 0.9124 0.6493 -0.1055 -0.0572 0.0380 521 ARG A CZ 4061 N NH1 . ARG A 521 ? 0.5262 0.7338 0.4869 -0.0976 -0.0548 0.0344 521 ARG A NH1 4062 N NH2 . ARG A 521 ? 0.5055 0.7679 0.4926 -0.0954 -0.0569 0.0430 521 ARG A NH2 4063 N N . ARG A 522 ? 0.6188 0.7286 0.5004 -0.1983 -0.0669 0.0123 522 ARG A N 4064 C CA . ARG A 522 ? 0.6446 0.7136 0.5008 -0.2052 -0.0661 0.0051 522 ARG A CA 4065 C C . ARG A 522 ? 0.7181 0.7691 0.5623 -0.1915 -0.0646 0.0002 522 ARG A C 4066 O O . ARG A 522 ? 0.7087 0.7780 0.5572 -0.1862 -0.0690 0.0006 522 ARG A O 4067 C CB . ARG A 522 ? 0.6786 0.7464 0.5234 -0.2275 -0.0744 0.0021 522 ARG A CB 4068 C CG . ARG A 522 ? 0.8138 0.8850 0.6628 -0.2444 -0.0744 0.0057 522 ARG A CG 4069 C CD . ARG A 522 ? 0.9154 1.0167 0.7720 -0.2637 -0.0837 0.0084 522 ARG A CD 4070 N NE . ARG A 522 ? 1.1270 1.2432 0.9962 -0.2753 -0.0820 0.0149 522 ARG A NE 4071 C CZ . ARG A 522 ? 1.2034 1.3581 1.0980 -0.2691 -0.0798 0.0229 522 ARG A CZ 4072 N NH1 . ARG A 522 ? 0.9714 1.1527 0.8812 -0.2515 -0.0798 0.0253 522 ARG A NH1 4073 N NH2 . ARG A 522 ? 0.8863 1.0524 0.7902 -0.2801 -0.0776 0.0287 522 ARG A NH2 4074 N N . GLY A 523 ? 0.6917 0.7072 0.5203 -0.1859 -0.0583 -0.0039 523 GLY A N 4075 C CA . GLY A 523 ? 0.6928 0.6890 0.5085 -0.1732 -0.0556 -0.0083 523 GLY A CA 4076 C C . GLY A 523 ? 0.7210 0.7310 0.5522 -0.1543 -0.0510 -0.0041 523 GLY A C 4077 O O . GLY A 523 ? 0.7039 0.7426 0.5501 -0.1496 -0.0544 -0.0002 523 GLY A O 4078 N N . LEU A 524 ? 0.6826 0.6722 0.5103 -0.1435 -0.0434 -0.0046 524 LEU A N 4079 C CA . LEU A 524 ? 0.6715 0.6715 0.5125 -0.1268 -0.0393 -0.0008 524 LEU A CA 4080 C C . LEU A 524 ? 0.6949 0.6877 0.5262 -0.1183 -0.0394 -0.0036 524 LEU A C 4081 O O . LEU A 524 ? 0.6942 0.6621 0.5115 -0.1129 -0.0345 -0.0071 524 LEU A O 4082 C CB . LEU A 524 ? 0.6857 0.6695 0.5278 -0.1200 -0.0318 0.0005 524 LEU A CB 4083 C CG . LEU A 524 ? 0.7548 0.7503 0.6120 -0.1048 -0.0279 0.0049 524 LEU A CG 4084 C CD1 . LEU A 524 ? 0.7430 0.7714 0.6199 -0.1038 -0.0316 0.0099 524 LEU A CD1 4085 C CD2 . LEU A 524 ? 0.7877 0.7675 0.6446 -0.1002 -0.0214 0.0062 524 LEU A CD2 4086 N N . ARG A 525 ? 0.6358 0.6510 0.4737 -0.1174 -0.0450 -0.0019 525 ARG A N 4087 C CA . ARG A 525 ? 0.6267 0.6394 0.4560 -0.1106 -0.0460 -0.0035 525 ARG A CA 4088 C C . ARG A 525 ? 0.6710 0.6550 0.4755 -0.1161 -0.0451 -0.0107 525 ARG A C 4089 O O . ARG A 525 ? 0.6633 0.6315 0.4579 -0.1069 -0.0402 -0.0126 525 ARG A O 4090 C CB . ARG A 525 ? 0.6184 0.6310 0.4560 -0.0944 -0.0403 0.0000 525 ARG A CB 4091 C CG . ARG A 525 ? 0.7822 0.8048 0.6198 -0.0871 -0.0427 0.0017 525 ARG A CG 4092 C CD . ARG A 525 ? 0.8906 0.9267 0.7442 -0.0751 -0.0410 0.0076 525 ARG A CD 4093 N NE . ARG A 525 ? 1.0024 1.0596 0.8731 -0.0760 -0.0438 0.0116 525 ARG A NE 4094 C CZ . ARG A 525 ? 1.1876 1.2554 1.0719 -0.0662 -0.0425 0.0163 525 ARG A CZ 4095 N NH1 . ARG A 525 ? 0.8258 0.8859 0.7095 -0.0563 -0.0393 0.0179 525 ARG A NH1 4096 N NH2 . ARG A 525 ? 1.1496 1.2359 1.0477 -0.0664 -0.0445 0.0194 525 ARG A NH2 4097 N N . ALA A 526 ? 0.6509 0.6275 0.4450 -0.1314 -0.0493 -0.0145 526 ALA A N 4098 C CA . ALA A 526 ? 0.6854 0.6308 0.4539 -0.1386 -0.0487 -0.0219 526 ALA A CA 4099 C C . ALA A 526 ? 0.7315 0.6656 0.4822 -0.1328 -0.0486 -0.0264 526 ALA A C 4100 O O . ALA A 526 ? 0.7245 0.6320 0.4594 -0.1261 -0.0422 -0.0304 526 ALA A O 4101 C CB . ALA A 526 ? 0.7158 0.6610 0.4780 -0.1581 -0.0557 -0.0245 526 ALA A CB 4102 N N . GLN A 527 ? 0.7003 0.6545 0.4528 -0.1346 -0.0551 -0.0254 527 GLN A N 4103 C CA . GLN A 527 ? 0.6963 0.6420 0.4317 -0.1294 -0.0552 -0.0290 527 GLN A CA 4104 C C . GLN A 527 ? 0.7001 0.6421 0.4392 -0.1121 -0.0470 -0.0262 527 GLN A C 4105 O O . GLN A 527 ? 0.7180 0.6376 0.4392 -0.1063 -0.0416 -0.0305 527 GLN A O 4106 C CB . GLN A 527 ? 0.7145 0.6851 0.4526 -0.1343 -0.0643 -0.0272 527 GLN A CB 4107 C CG . GLN A 527 ? 0.8501 0.8216 0.5768 -0.1525 -0.0734 -0.0317 527 GLN A CG 4108 C CD . GLN A 527 ? 0.9199 0.8561 0.6189 -0.1613 -0.0724 -0.0407 527 GLN A CD 4109 O OE1 . GLN A 527 ? 0.9135 0.8376 0.6104 -0.1719 -0.0727 -0.0427 527 GLN A OE1 4110 N NE2 . GLN A 527 ? 0.8047 0.7232 0.4808 -0.1573 -0.0713 -0.0463 527 GLN A NE2 4111 N N . THR A 528 ? 0.6366 0.6005 0.3984 -0.1038 -0.0460 -0.0189 528 THR A N 4112 C CA . THR A 528 ? 0.6237 0.5872 0.3915 -0.0889 -0.0392 -0.0152 528 THR A CA 4113 C C . THR A 528 ? 0.6672 0.6087 0.4306 -0.0829 -0.0306 -0.0170 528 THR A C 4114 O O . THR A 528 ? 0.6761 0.6072 0.4319 -0.0732 -0.0246 -0.0174 528 THR A O 4115 C CB . THR A 528 ? 0.6971 0.6866 0.4884 -0.0833 -0.0412 -0.0075 528 THR A CB 4116 O OG1 . THR A 528 ? 0.6596 0.6663 0.4506 -0.0853 -0.0481 -0.0057 528 THR A OG1 4117 C CG2 . THR A 528 ? 0.6611 0.6497 0.4605 -0.0699 -0.0346 -0.0032 528 THR A CG2 4118 N N . CYS A 529 ? 0.6150 0.5498 0.3826 -0.0887 -0.0300 -0.0177 529 CYS A N 4119 C CA . CYS A 529 ? 0.6190 0.5334 0.3824 -0.0822 -0.0221 -0.0187 529 CYS A CA 4120 C C . CYS A 529 ? 0.6781 0.5627 0.4150 -0.0834 -0.0191 -0.0261 529 CYS A C 4121 O O . CYS A 529 ? 0.6764 0.5460 0.4075 -0.0730 -0.0116 -0.0265 529 CYS A O 4122 C CB . CYS A 529 ? 0.6217 0.5386 0.3984 -0.0857 -0.0215 -0.0160 529 CYS A CB 4123 S SG . CYS A 529 ? 0.6416 0.5879 0.4469 -0.0781 -0.0219 -0.0076 529 CYS A SG 4124 N N . ALA A 530 ? 0.6501 0.5276 0.3701 -0.0942 -0.0248 -0.0316 530 ALA A N 4125 C CA . ALA A 530 ? 0.6920 0.5398 0.3838 -0.0940 -0.0219 -0.0393 530 ALA A CA 4126 C C . ALA A 530 ? 0.7645 0.6139 0.4509 -0.0801 -0.0167 -0.0387 530 ALA A C 4127 O O . ALA A 530 ? 0.7763 0.6038 0.4462 -0.0716 -0.0096 -0.0424 530 ALA A O 4128 C CB . ALA A 530 ? 0.7272 0.5696 0.4027 -0.1093 -0.0302 -0.0452 530 ALA A CB 4129 N N . PHE A 531 ? 0.7106 0.5864 0.4109 -0.0774 -0.0198 -0.0336 531 PHE A N 4130 C CA . PHE A 531 ? 0.7039 0.5852 0.4019 -0.0654 -0.0151 -0.0313 531 PHE A CA 4131 C C . PHE A 531 ? 0.7267 0.6046 0.4339 -0.0520 -0.0058 -0.0274 531 PHE A C 4132 O O . PHE A 531 ? 0.7410 0.6057 0.4347 -0.0428 0.0012 -0.0294 531 PHE A O 4133 C CB . PHE A 531 ? 0.6982 0.6080 0.4112 -0.0660 -0.0209 -0.0252 531 PHE A CB 4134 C CG . PHE A 531 ? 0.6921 0.6101 0.4076 -0.0540 -0.0158 -0.0206 531 PHE A CG 4135 C CD1 . PHE A 531 ? 0.7410 0.6512 0.4365 -0.0507 -0.0137 -0.0237 531 PHE A CD1 4136 C CD2 . PHE A 531 ? 0.6734 0.6062 0.4103 -0.0465 -0.0131 -0.0130 531 PHE A CD2 4137 C CE1 . PHE A 531 ? 0.7414 0.6607 0.4397 -0.0405 -0.0086 -0.0185 531 PHE A CE1 4138 C CE2 . PHE A 531 ? 0.6967 0.6369 0.4359 -0.0371 -0.0086 -0.0082 531 PHE A CE2 4139 C CZ . PHE A 531 ? 0.6949 0.6292 0.4154 -0.0342 -0.0062 -0.0106 531 PHE A CZ 4140 N N . TRP A 532 ? 0.6518 0.5424 0.3812 -0.0509 -0.0058 -0.0218 532 TRP A N 4141 C CA . TRP A 532 ? 0.6456 0.5359 0.3857 -0.0396 0.0016 -0.0175 532 TRP A CA 4142 C C . TRP A 532 ? 0.7158 0.5807 0.4432 -0.0362 0.0077 -0.0216 532 TRP A C 4143 O O . TRP A 532 ? 0.7098 0.5684 0.4333 -0.0248 0.0151 -0.0207 532 TRP A O 4144 C CB . TRP A 532 ? 0.5917 0.5010 0.3569 -0.0402 -0.0008 -0.0111 532 TRP A CB 4145 C CG . TRP A 532 ? 0.5782 0.5108 0.3569 -0.0395 -0.0051 -0.0058 532 TRP A CG 4146 C CD1 . TRP A 532 ? 0.6026 0.5505 0.3894 -0.0469 -0.0127 -0.0044 532 TRP A CD1 4147 C CD2 . TRP A 532 ? 0.5584 0.5010 0.3428 -0.0306 -0.0019 -0.0007 532 TRP A CD2 4148 N NE1 . TRP A 532 ? 0.5689 0.5337 0.3657 -0.0422 -0.0144 0.0012 532 TRP A NE1 4149 C CE2 . TRP A 532 ? 0.5825 0.5437 0.3777 -0.0331 -0.0080 0.0035 532 TRP A CE2 4150 C CE3 . TRP A 532 ? 0.5668 0.5053 0.3486 -0.0208 0.0056 0.0011 532 TRP A CE3 4151 C CZ2 . TRP A 532 ? 0.5538 0.5265 0.3558 -0.0270 -0.0071 0.0094 532 TRP A CZ2 4152 C CZ3 . TRP A 532 ? 0.5619 0.5148 0.3520 -0.0157 0.0064 0.0072 532 TRP A CZ3 4153 C CH2 . TRP A 532 ? 0.5511 0.5194 0.3506 -0.0192 0.0001 0.0112 532 TRP A CH2 4154 N N . ASN A 533 ? 0.6897 0.5402 0.4100 -0.0461 0.0045 -0.0258 533 ASN A N 4155 C CA . ASN A 533 ? 0.7155 0.5398 0.4237 -0.0439 0.0095 -0.0290 533 ASN A CA 4156 C C . ASN A 533 ? 0.8152 0.6108 0.4941 -0.0425 0.0125 -0.0369 533 ASN A C 4157 O O . ASN A 533 ? 0.8321 0.6071 0.5006 -0.0340 0.0192 -0.0385 533 ASN A O 4158 C CB . ASN A 533 ? 0.6664 0.4880 0.3811 -0.0555 0.0051 -0.0288 533 ASN A CB 4159 C CG . ASN A 533 ? 0.7981 0.6450 0.5401 -0.0545 0.0036 -0.0213 533 ASN A CG 4160 O OD1 . ASN A 533 ? 0.7291 0.5903 0.4839 -0.0443 0.0068 -0.0166 533 ASN A OD1 4161 N ND2 . ASN A 533 ? 0.6976 0.5511 0.4483 -0.0654 -0.0013 -0.0201 533 ASN A ND2 4162 N N . ARG A 534 ? 0.7907 0.5840 0.4551 -0.0503 0.0075 -0.0419 534 ARG A N 4163 C CA . ARG A 534 ? 0.8259 0.5896 0.4594 -0.0496 0.0098 -0.0503 534 ARG A CA 4164 C C . ARG A 534 ? 0.9083 0.6768 0.5314 -0.0404 0.0131 -0.0516 534 ARG A C 4165 O O . ARG A 534 ? 0.9524 0.7007 0.5565 -0.0296 0.0206 -0.0554 534 ARG A O 4166 C CB . ARG A 534 ? 0.8167 0.5663 0.4348 -0.0673 0.0014 -0.0568 534 ARG A CB 4167 C CG . ARG A 534 ? 0.9119 0.6559 0.5383 -0.0781 -0.0018 -0.0555 534 ARG A CG 4168 C CD . ARG A 534 ? 0.9503 0.6899 0.5667 -0.0977 -0.0114 -0.0601 534 ARG A CD 4169 N NE . ARG A 534 ? 1.0721 0.8159 0.7023 -0.1092 -0.0150 -0.0567 534 ARG A NE 4170 C CZ . ARG A 534 ? 1.2304 0.9455 0.8462 -0.1167 -0.0145 -0.0600 534 ARG A CZ 4171 N NH1 . ARG A 534 ? 1.0780 0.7557 0.6638 -0.1138 -0.0110 -0.0675 534 ARG A NH1 4172 N NH2 . ARG A 534 ? 0.9936 0.7162 0.6237 -0.1273 -0.0175 -0.0557 534 ARG A NH2 4173 N N . PHE A 535 ? 0.8242 0.6186 0.4582 -0.0440 0.0080 -0.0482 535 PHE A N 4174 C CA . PHE A 535 ? 0.8197 0.6182 0.4421 -0.0363 0.0110 -0.0490 535 PHE A CA 4175 C C . PHE A 535 ? 0.8597 0.6719 0.4948 -0.0207 0.0196 -0.0423 535 PHE A C 4176 O O . PHE A 535 ? 0.8778 0.6781 0.4966 -0.0100 0.0272 -0.0449 535 PHE A O 4177 C CB . PHE A 535 ? 0.8249 0.6428 0.4494 -0.0456 0.0023 -0.0482 535 PHE A CB 4178 C CG . PHE A 535 ? 0.8477 0.6678 0.4575 -0.0377 0.0058 -0.0491 535 PHE A CG 4179 C CD1 . PHE A 535 ? 0.9051 0.6997 0.4835 -0.0361 0.0085 -0.0578 535 PHE A CD1 4180 C CD2 . PHE A 535 ? 0.8361 0.6821 0.4621 -0.0313 0.0071 -0.0409 535 PHE A CD2 4181 C CE1 . PHE A 535 ? 0.9355 0.7328 0.4997 -0.0278 0.0127 -0.0584 535 PHE A CE1 4182 C CE2 . PHE A 535 ? 0.8816 0.7303 0.4938 -0.0243 0.0109 -0.0409 535 PHE A CE2 4183 C CZ . PHE A 535 ? 0.8972 0.7227 0.4789 -0.0223 0.0139 -0.0496 535 PHE A CZ 4184 N N . LEU A 536 ? 0.7999 0.6377 0.4629 -0.0196 0.0183 -0.0337 536 LEU A N 4185 C CA . LEU A 536 ? 0.8173 0.6707 0.4939 -0.0070 0.0253 -0.0265 536 LEU A CA 4186 C C . LEU A 536 ? 0.9499 0.7885 0.6198 0.0058 0.0353 -0.0273 536 LEU A C 4187 O O . LEU A 536 ? 0.9681 0.8119 0.6336 0.0166 0.0422 -0.0252 536 LEU A O 4188 C CB . LEU A 536 ? 0.7942 0.6725 0.4998 -0.0089 0.0219 -0.0181 536 LEU A CB 4189 C CG . LEU A 536 ? 0.8626 0.7631 0.5771 -0.0120 0.0168 -0.0132 536 LEU A CG 4190 C CD1 . LEU A 536 ? 0.8955 0.8152 0.6308 -0.0051 0.0199 -0.0043 536 LEU A CD1 4191 C CD2 . LEU A 536 ? 0.8780 0.7747 0.5713 -0.0106 0.0179 -0.0164 536 LEU A CD2 4192 N N . PRO A 537 ? 0.9500 0.7698 0.6170 0.0056 0.0366 -0.0302 537 PRO A N 4193 C CA . PRO A 537 ? 0.9765 0.7814 0.6346 0.0194 0.0462 -0.0309 537 PRO A CA 4194 C C . PRO A 537 ? 1.1129 0.9001 0.7426 0.0269 0.0517 -0.0374 537 PRO A C 4195 O O . PRO A 537 ? 1.1279 0.9211 0.7569 0.0408 0.0602 -0.0344 537 PRO A O 4196 C CB . PRO A 537 ? 1.0005 0.7838 0.6550 0.0146 0.0446 -0.0341 537 PRO A CB 4197 C CG . PRO A 537 ? 1.0189 0.8179 0.6926 0.0010 0.0358 -0.0311 537 PRO A CG 4198 C CD . PRO A 537 ? 0.9576 0.7692 0.6287 -0.0066 0.0300 -0.0323 537 PRO A CD 4199 N N . LYS A 538 ? 1.1106 0.8790 0.7177 0.0174 0.0467 -0.0457 538 LYS A N 4200 C CA . LYS A 538 ? 1.1508 0.9001 0.7275 0.0233 0.0510 -0.0531 538 LYS A CA 4201 C C . LYS A 538 ? 1.2509 1.0232 0.8302 0.0304 0.0546 -0.0489 538 LYS A C 4202 O O . LYS A 538 ? 1.2743 1.0376 0.8352 0.0425 0.0627 -0.0516 538 LYS A O 4203 C CB . LYS A 538 ? 1.1896 0.9157 0.7429 0.0090 0.0431 -0.0627 538 LYS A CB 4204 C CG . LYS A 538 ? 1.3117 1.0042 0.8504 0.0051 0.0427 -0.0688 538 LYS A CG 4205 C CD . LYS A 538 ? 1.4717 1.1413 0.9860 -0.0107 0.0344 -0.0782 538 LYS A CD 4206 C CE . LYS A 538 ? 1.6601 1.2972 1.1616 -0.0181 0.0325 -0.0833 538 LYS A CE 4207 N NZ . LYS A 538 ? 1.8396 1.4391 1.3107 -0.0055 0.0409 -0.0903 538 LYS A NZ 4208 N N . LEU A 539 ? 1.2314 1.0332 0.8337 0.0240 0.0492 -0.0416 539 LEU A N 4209 C CA . LEU A 539 ? 1.2464 1.0715 0.8539 0.0292 0.0520 -0.0358 539 LEU A CA 4210 C C . LEU A 539 ? 1.3823 1.2218 1.0037 0.0437 0.0618 -0.0283 539 LEU A C 4211 O O . LEU A 539 ? 1.4004 1.2519 1.0180 0.0518 0.0678 -0.0251 539 LEU A O 4212 C CB . LEU A 539 ? 1.2128 1.0620 0.8401 0.0178 0.0427 -0.0301 539 LEU A CB 4213 C CG . LEU A 539 ? 1.2545 1.1199 0.8776 0.0179 0.0420 -0.0268 539 LEU A CG 4214 C CD1 . LEU A 539 ? 1.2915 1.1379 0.8824 0.0174 0.0422 -0.0358 539 LEU A CD1 4215 C CD2 . LEU A 539 ? 1.2411 1.1251 0.8811 0.0068 0.0321 -0.0221 539 LEU A CD2 4216 N N . LEU A 540 ? 1.3777 1.2168 1.0149 0.0466 0.0634 -0.0253 540 LEU A N 4217 C CA . LEU A 540 ? 1.3854 1.2380 1.0366 0.0598 0.0720 -0.0183 540 LEU A CA 4218 C C . LEU A 540 ? 1.5023 1.3326 1.1313 0.0743 0.0818 -0.0236 540 LEU A C 4219 O O . LEU A 540 ? 1.5036 1.3450 1.1311 0.0873 0.0907 -0.0199 540 LEU A O 4220 C CB . LEU A 540 ? 1.3596 1.2218 1.0367 0.0561 0.0684 -0.0128 540 LEU A CB 4221 C CG . LEU A 540 ? 1.4132 1.2870 1.1047 0.0686 0.0759 -0.0060 540 LEU A CG 4222 C CD1 . LEU A 540 ? 1.3967 1.3015 1.1054 0.0718 0.0786 0.0033 540 LEU A CD1 4223 C CD2 . LEU A 540 ? 1.4402 1.3132 1.1487 0.0647 0.0720 -0.0038 540 LEU A CD2 4224 N N . SER A 541 ? 1.5063 1.3051 1.1174 0.0719 0.0801 -0.0320 541 SER A N 4225 C CA . SER A 541 ? 1.5513 1.3217 1.1380 0.0849 0.0883 -0.0383 541 SER A CA 4226 C C . SER A 541 ? 1.6644 1.4257 1.2241 0.0942 0.0948 -0.0436 541 SER A C 4227 O O . SER A 541 ? 1.6896 1.4392 1.2355 0.1106 0.1047 -0.0452 541 SER A O 4228 C CB . SER A 541 ? 1.6197 1.3561 1.1909 0.0764 0.0831 -0.0464 541 SER A CB 4229 O OG . SER A 541 ? 1.7267 1.4633 1.3153 0.0768 0.0825 -0.0419 541 SER A OG 4230 N N . ALA A 542 ? 1.6371 1.4034 1.1885 0.0844 0.0896 -0.0463 542 ALA A N 4231 C CA . ALA A 542 ? 1.6674 1.4258 1.1918 0.0914 0.0947 -0.0516 542 ALA A CA 4232 C C . ALA A 542 ? 1.7086 1.5015 1.2465 0.0976 0.0997 -0.0426 542 ALA A C 4233 O O . ALA A 542 ? 1.7349 1.5269 1.2556 0.1108 0.1090 -0.0439 542 ALA A O 4234 C CB . ALA A 542 ? 1.6955 1.4354 1.1984 0.0764 0.0853 -0.0606 542 ALA A CB 4235 N N . THR A 543 ? 1.6219 1.4439 1.1883 0.0876 0.0935 -0.0338 543 THR A N 4236 C CA . THR A 543 ? 1.9614 1.8160 1.5424 0.0903 0.0966 -0.0242 543 THR A CA 4237 C C . THR A 543 ? 2.3722 2.2538 1.9890 0.0858 0.0934 -0.0133 543 THR A C 4238 O O . THR A 543 ? 1.8894 1.7979 1.5218 0.0900 0.0977 -0.0039 543 THR A O 4239 C CB . THR A 543 ? 1.9759 1.8332 1.5450 0.0800 0.0902 -0.0264 543 THR A CB 4240 N N . ARG B 3 ? 1.0665 1.6505 1.1317 0.2339 -0.2878 -0.3988 3 ARG B N 4241 C CA . ARG B 3 ? 1.0657 1.6388 1.1217 0.2562 -0.2897 -0.3883 3 ARG B CA 4242 C C . ARG B 3 ? 1.0871 1.6307 1.1425 0.2414 -0.2701 -0.3704 3 ARG B C 4243 O O . ARG B 3 ? 1.0802 1.6455 1.1649 0.2226 -0.2596 -0.3775 3 ARG B O 4244 C CB . ARG B 3 ? 1.0761 1.7008 1.1607 0.2703 -0.3020 -0.4090 3 ARG B CB 4245 N N . GLU B 4 ? 1.0077 1.5021 1.0288 0.2488 -0.2648 -0.3475 4 GLU B N 4246 C CA . GLU B 4 ? 0.9672 1.4307 0.9835 0.2370 -0.2475 -0.3294 4 GLU B CA 4247 C C . GLU B 4 ? 0.9643 1.4362 0.9904 0.2491 -0.2474 -0.3287 4 GLU B C 4248 O O . GLU B 4 ? 0.9766 1.4591 0.9966 0.2747 -0.2618 -0.3342 4 GLU B O 4249 C CB . GLU B 4 ? 0.9958 1.4086 0.9732 0.2421 -0.2429 -0.3070 4 GLU B CB 4250 C CG . GLU B 4 ? 1.1221 1.5198 1.0921 0.2238 -0.2358 -0.3039 4 GLU B CG 4251 C CD . GLU B 4 ? 1.3405 1.6935 1.2853 0.2182 -0.2227 -0.2816 4 GLU B CD 4252 O OE1 . GLU B 4 ? 1.1685 1.5113 1.1220 0.2063 -0.2096 -0.2728 4 GLU B OE1 4253 O OE2 . GLU B 4 ? 1.2936 1.6233 1.2100 0.2256 -0.2253 -0.2734 4 GLU B OE2 4254 N N . ASP B 5 ? 0.8546 1.3205 0.8945 0.2315 -0.2316 -0.3222 5 ASP B N 4255 C CA . ASP B 5 ? 0.8208 1.2907 0.8690 0.2403 -0.2289 -0.3203 5 ASP B CA 4256 C C . ASP B 5 ? 0.8595 1.2789 0.8711 0.2531 -0.2262 -0.2972 5 ASP B C 4257 O O . ASP B 5 ? 0.8473 1.2346 0.8455 0.2382 -0.2136 -0.2815 5 ASP B O 4258 C CB . ASP B 5 ? 0.8047 1.2876 0.8804 0.2140 -0.2126 -0.3231 5 ASP B CB 4259 C CG . ASP B 5 ? 0.7708 1.2702 0.8637 0.2195 -0.2094 -0.3271 5 ASP B CG 4260 O OD1 . ASP B 5 ? 0.7484 1.2319 0.8240 0.2432 -0.2162 -0.3201 5 ASP B OD1 4261 O OD2 . ASP B 5 ? 0.7739 1.2981 0.8947 0.1994 -0.1992 -0.3362 5 ASP B OD2 4262 N N . PRO B 6 ? 0.8353 1.2457 0.8284 0.2807 -0.2381 -0.2950 6 PRO B N 4263 C CA . PRO B 6 ? 0.8453 1.2047 0.8004 0.2908 -0.2350 -0.2728 6 PRO B CA 4264 C C . PRO B 6 ? 0.8687 1.2061 0.8258 0.2766 -0.2185 -0.2594 6 PRO B C 4265 O O . PRO B 6 ? 0.8812 1.1769 0.8100 0.2749 -0.2115 -0.2404 6 PRO B O 4266 C CB . PRO B 6 ? 0.9016 1.2596 0.8393 0.3229 -0.2521 -0.2767 6 PRO B CB 4267 C CG . PRO B 6 ? 0.9495 1.3609 0.9240 0.3283 -0.2604 -0.3002 6 PRO B CG 4268 C CD . PRO B 6 ? 0.8700 1.3149 0.8739 0.3043 -0.2554 -0.3127 6 PRO B CD 4269 N N . GLN B 7 ? 0.7778 1.1441 0.7679 0.2651 -0.2117 -0.2697 7 GLN B N 4270 C CA . GLN B 7 ? 0.7483 1.0980 0.7433 0.2499 -0.1959 -0.2590 7 GLN B CA 4271 C C . GLN B 7 ? 0.7493 1.0815 0.7429 0.2242 -0.1818 -0.2485 7 GLN B C 4272 O O . GLN B 7 ? 0.7310 1.0368 0.7167 0.2140 -0.1697 -0.2343 7 GLN B O 4273 C CB . GLN B 7 ? 0.7463 1.1349 0.7769 0.2439 -0.1926 -0.2746 7 GLN B CB 4274 C CG . GLN B 7 ? 0.8855 1.2918 0.9192 0.2704 -0.2052 -0.2852 7 GLN B CG 4275 C CD . GLN B 7 ? 1.0408 1.4067 1.0470 0.2848 -0.2042 -0.2698 7 GLN B CD 4276 O OE1 . GLN B 7 ? 0.9209 1.2566 0.9175 0.2707 -0.1909 -0.2545 7 GLN B OE1 4277 N NE2 . GLN B 7 ? 0.9819 1.3456 0.9739 0.3135 -0.2188 -0.2740 7 GLN B NE2 4278 N N . LEU B 8 ? 0.6698 1.0170 0.6708 0.2147 -0.1840 -0.2563 8 LEU B N 4279 C CA . LEU B 8 ? 0.6440 0.9763 0.6436 0.1924 -0.1725 -0.2490 8 LEU B CA 4280 C C . LEU B 8 ? 0.6989 0.9976 0.6660 0.1981 -0.1739 -0.2349 8 LEU B C 4281 O O . LEU B 8 ? 0.6822 0.9656 0.6445 0.1828 -0.1649 -0.2278 8 LEU B O 4282 C CB . LEU B 8 ? 0.6246 0.9902 0.6509 0.1755 -0.1722 -0.2661 8 LEU B CB 4283 C CG . LEU B 8 ? 0.6504 1.0515 0.7097 0.1655 -0.1684 -0.2807 8 LEU B CG 4284 C CD1 . LEU B 8 ? 0.6376 1.0687 0.7194 0.1468 -0.1679 -0.2974 8 LEU B CD1 4285 C CD2 . LEU B 8 ? 0.6280 1.0120 0.6900 0.1529 -0.1536 -0.2696 8 LEU B CD2 4286 N N . LEU B 9 ? 0.6766 0.9617 0.6198 0.2202 -0.1842 -0.2303 9 LEU B N 4287 C CA . LEU B 9 ? 0.6993 0.9528 0.6089 0.2268 -0.1854 -0.2171 9 LEU B CA 4288 C C . LEU B 9 ? 0.7381 0.9562 0.6227 0.2333 -0.1801 -0.1995 9 LEU B C 4289 O O . LEU B 9 ? 0.7586 0.9724 0.6356 0.2494 -0.1868 -0.1993 9 LEU B O 4290 C CB . LEU B 9 ? 0.7310 0.9936 0.6272 0.2461 -0.2019 -0.2256 9 LEU B CB 4291 C CG . LEU B 9 ? 0.8019 1.0858 0.7093 0.2380 -0.2059 -0.2380 9 LEU B CG 4292 C CD1 . LEU B 9 ? 0.8409 1.1403 0.7395 0.2590 -0.2241 -0.2493 9 LEU B CD1 4293 C CD2 . LEU B 9 ? 0.8491 1.1069 0.7382 0.2261 -0.1966 -0.2261 9 LEU B CD2 4294 N N . VAL B 10 ? 0.6739 0.8667 0.5455 0.2203 -0.1681 -0.1852 10 VAL B N 4295 C CA A VAL B 10 ? 0.6797 0.8383 0.5284 0.2206 -0.1601 -0.1676 10 VAL B CA 4296 C CA B VAL B 10 ? 0.6784 0.8369 0.5261 0.2218 -0.1609 -0.1679 10 VAL B CA 4297 C C . VAL B 10 ? 0.7435 0.8780 0.5651 0.2178 -0.1557 -0.1558 10 VAL B C 4298 O O . VAL B 10 ? 0.7374 0.8806 0.5669 0.2070 -0.1519 -0.1588 10 VAL B O 4299 C CB A VAL B 10 ? 0.6969 0.8553 0.5651 0.2030 -0.1467 -0.1634 10 VAL B CB 4300 C CB B VAL B 10 ? 0.6944 0.8520 0.5602 0.2070 -0.1487 -0.1637 10 VAL B CB 4301 C CG1 A VAL B 10 ? 0.6974 0.8220 0.5433 0.1989 -0.1369 -0.1456 10 VAL B CG1 4302 C CG1 B VAL B 10 ? 0.6620 0.8237 0.5422 0.1859 -0.1373 -0.1622 10 VAL B CG1 4303 C CG2 A VAL B 10 ? 0.6869 0.8665 0.5782 0.2066 -0.1498 -0.1739 10 VAL B CG2 4304 C CG2 B VAL B 10 ? 0.7052 0.8299 0.5475 0.2107 -0.1437 -0.1485 10 VAL B CG2 4305 N N . ARG B 11 ? 0.7194 0.8227 0.5084 0.2263 -0.1551 -0.1425 11 ARG B N 4306 C CA . ARG B 11 ? 0.7232 0.8030 0.4847 0.2224 -0.1488 -0.1302 11 ARG B CA 4307 C C . ARG B 11 ? 0.7585 0.8176 0.5153 0.2092 -0.1346 -0.1163 11 ARG B C 4308 O O . ARG B 11 ? 0.7689 0.8116 0.5166 0.2135 -0.1343 -0.1105 11 ARG B O 4309 C CB . ARG B 11 ? 0.7593 0.8176 0.4835 0.2408 -0.1585 -0.1255 11 ARG B CB 4310 C CG . ARG B 11 ? 0.8816 0.9168 0.5760 0.2356 -0.1507 -0.1132 11 ARG B CG 4311 C CD . ARG B 11 ? 0.9925 1.0051 0.6469 0.2528 -0.1601 -0.1087 11 ARG B CD 4312 N NE . ARG B 11 ? 1.1436 1.1756 0.7998 0.2643 -0.1730 -0.1212 11 ARG B NE 4313 C CZ . ARG B 11 ? 1.2562 1.2959 0.9096 0.2594 -0.1710 -0.1237 11 ARG B CZ 4314 N NH1 . ARG B 11 ? 0.9379 0.9698 0.5880 0.2440 -0.1565 -0.1149 11 ARG B NH1 4315 N NH2 . ARG B 11 ? 1.1518 1.2086 0.8062 0.2704 -0.1838 -0.1358 11 ARG B NH2 4316 N N . VAL B 12 ? 0.6900 0.7506 0.4532 0.1937 -0.1235 -0.1121 12 VAL B N 4317 C CA . VAL B 12 ? 0.6805 0.7253 0.4399 0.1804 -0.1102 -0.0999 12 VAL B CA 4318 C C . VAL B 12 ? 0.7583 0.7850 0.4884 0.1790 -0.1047 -0.0897 12 VAL B C 4319 O O . VAL B 12 ? 0.7524 0.7798 0.4679 0.1882 -0.1114 -0.0929 12 VAL B O 4320 C CB . VAL B 12 ? 0.6860 0.7474 0.4762 0.1645 -0.1017 -0.1033 12 VAL B CB 4321 C CG1 . VAL B 12 ? 0.6678 0.7435 0.4823 0.1648 -0.1053 -0.1116 12 VAL B CG1 4322 C CG2 . VAL B 12 ? 0.6657 0.7432 0.4669 0.1593 -0.1013 -0.1104 12 VAL B CG2 4323 N N . ARG B 13 ? 0.7415 0.7530 0.4621 0.1678 -0.0928 -0.0782 13 ARG B N 4324 C CA . ARG B 13 ? 0.7640 0.7612 0.4575 0.1648 -0.0861 -0.0692 13 ARG B CA 4325 C C . ARG B 13 ? 0.7942 0.8080 0.4919 0.1642 -0.0857 -0.0752 13 ARG B C 4326 O O . ARG B 13 ? 0.7995 0.8038 0.4713 0.1694 -0.0862 -0.0720 13 ARG B O 4327 C CB . ARG B 13 ? 0.7779 0.7634 0.4672 0.1500 -0.0725 -0.0582 13 ARG B CB 4328 C CG . ARG B 13 ? 0.9580 0.9178 0.6301 0.1511 -0.0724 -0.0501 13 ARG B CG 4329 C CD . ARG B 13 ? 1.1297 1.0735 0.7868 0.1364 -0.0591 -0.0383 13 ARG B CD 4330 N NE . ARG B 13 ? 1.3476 1.2656 0.9901 0.1353 -0.0586 -0.0314 13 ARG B NE 4331 C CZ . ARG B 13 ? 1.5351 1.4368 1.1651 0.1214 -0.0478 -0.0218 13 ARG B CZ 4332 N NH1 . ARG B 13 ? 1.3635 1.2754 0.9953 0.1075 -0.0363 -0.0183 13 ARG B NH1 4333 N NH2 . ARG B 13 ? 1.3448 1.2207 0.9605 0.1213 -0.0485 -0.0164 13 ARG B NH2 4334 N N . GLY B 14 ? 0.7077 0.7436 0.4352 0.1583 -0.0851 -0.0840 14 GLY B N 4335 C CA . GLY B 14 ? 0.6799 0.7298 0.4123 0.1580 -0.0853 -0.0910 14 GLY B CA 4336 C C . GLY B 14 ? 0.7019 0.7601 0.4323 0.1701 -0.0983 -0.1016 14 GLY B C 4337 O O . GLY B 14 ? 0.6714 0.7367 0.3982 0.1719 -0.0996 -0.1070 14 GLY B O 4338 N N . GLY B 15 ? 0.6542 0.7132 0.3875 0.1790 -0.1082 -0.1059 15 GLY B N 4339 C CA . GLY B 15 ? 0.6652 0.7360 0.3987 0.1909 -0.1217 -0.1175 15 GLY B CA 4340 C C . GLY B 15 ? 0.7043 0.7925 0.4627 0.1941 -0.1304 -0.1284 15 GLY B C 4341 O O . GLY B 15 ? 0.6868 0.7737 0.4574 0.1900 -0.1270 -0.1256 15 GLY B O 4342 N N . GLN B 16 ? 0.6446 0.7508 0.4110 0.2010 -0.1416 -0.1418 16 GLN B N 4343 C CA . GLN B 16 ? 0.6242 0.7528 0.4156 0.2040 -0.1504 -0.1548 16 GLN B CA 4344 C C . GLN B 16 ? 0.6396 0.7865 0.4630 0.1879 -0.1448 -0.1629 16 GLN B C 4345 O O . GLN B 16 ? 0.6265 0.7736 0.4525 0.1784 -0.1396 -0.1640 16 GLN B O 4346 C CB . GLN B 16 ? 0.6498 0.7920 0.4356 0.2186 -0.1658 -0.1667 16 GLN B CB 4347 C CG . GLN B 16 ? 0.8417 0.9670 0.5979 0.2378 -0.1747 -0.1610 16 GLN B CG 4348 C CD . GLN B 16 ? 1.1102 1.2501 0.8604 0.2532 -0.1910 -0.1735 16 GLN B CD 4349 O OE1 . GLN B 16 ? 1.0446 1.1877 0.7866 0.2528 -0.1933 -0.1776 16 GLN B OE1 4350 N NE2 . GLN B 16 ? 1.0069 1.1568 0.7608 0.2681 -0.2030 -0.1806 16 GLN B NE2 4351 N N . LEU B 17 ? 0.5839 0.7450 0.4299 0.1854 -0.1459 -0.1687 17 LEU B N 4352 C CA . LEU B 17 ? 0.5740 0.7515 0.4492 0.1695 -0.1404 -0.1765 17 LEU B CA 4353 C C . LEU B 17 ? 0.6292 0.8356 0.5263 0.1727 -0.1499 -0.1928 17 LEU B C 4354 O O . LEU B 17 ? 0.6497 0.8619 0.5433 0.1876 -0.1587 -0.1954 17 LEU B O 4355 C CB . LEU B 17 ? 0.5672 0.7348 0.4500 0.1603 -0.1295 -0.1670 17 LEU B CB 4356 C CG . LEU B 17 ? 0.6253 0.7682 0.4913 0.1554 -0.1189 -0.1512 17 LEU B CG 4357 C CD1 . LEU B 17 ? 0.6159 0.7512 0.4875 0.1508 -0.1122 -0.1439 17 LEU B CD1 4358 C CD2 . LEU B 17 ? 0.6539 0.7954 0.5252 0.1422 -0.1116 -0.1512 17 LEU B CD2 4359 N N . ARG B 18 ? 0.5744 0.7983 0.4934 0.1583 -0.1479 -0.2039 18 ARG B N 4360 C CA . ARG B 18 ? 0.5568 0.8123 0.5014 0.1559 -0.1540 -0.2207 18 ARG B CA 4361 C C . ARG B 18 ? 0.5808 0.8417 0.5468 0.1370 -0.1432 -0.2220 18 ARG B C 4362 O O . ARG B 18 ? 0.5543 0.8065 0.5221 0.1214 -0.1358 -0.2211 18 ARG B O 4363 C CB . ARG B 18 ? 0.5139 0.7878 0.4637 0.1544 -0.1628 -0.2356 18 ARG B CB 4364 C CG . ARG B 18 ? 0.6245 0.9362 0.6019 0.1530 -0.1699 -0.2544 18 ARG B CG 4365 C CD . ARG B 18 ? 0.7247 1.0567 0.7114 0.1458 -0.1768 -0.2708 18 ARG B CD 4366 N NE . ARG B 18 ? 0.8252 1.1535 0.7913 0.1628 -0.1888 -0.2719 18 ARG B NE 4367 C CZ . ARG B 18 ? 0.9817 1.2877 0.9265 0.1621 -0.1876 -0.2657 18 ARG B CZ 4368 N NH1 . ARG B 18 ? 0.7945 1.0804 0.7364 0.1462 -0.1757 -0.2585 18 ARG B NH1 4369 N NH2 . ARG B 18 ? 0.7976 1.1012 0.7226 0.1784 -0.1986 -0.2670 18 ARG B NH2 4370 N N . GLY B 19 ? 0.5411 0.8156 0.5216 0.1394 -0.1428 -0.2251 19 GLY B N 4371 C CA . GLY B 19 ? 0.5122 0.7937 0.5125 0.1224 -0.1327 -0.2271 19 GLY B CA 4372 C C . GLY B 19 ? 0.5586 0.8747 0.5851 0.1125 -0.1354 -0.2462 19 GLY B C 4373 O O . GLY B 19 ? 0.5399 0.8743 0.5699 0.1167 -0.1452 -0.2583 19 GLY B O 4374 N N . ILE B 20 ? 0.5062 0.8325 0.5508 0.0986 -0.1267 -0.2495 20 ILE B N 4375 C CA . ILE B 20 ? 0.4988 0.8588 0.5693 0.0850 -0.1264 -0.2676 20 ILE B CA 4376 C C . ILE B 20 ? 0.5338 0.9168 0.6234 0.0873 -0.1239 -0.2734 20 ILE B C 4377 O O . ILE B 20 ? 0.5125 0.8775 0.5960 0.0889 -0.1168 -0.2616 20 ILE B O 4378 C CB . ILE B 20 ? 0.5369 0.8841 0.6083 0.0595 -0.1162 -0.2675 20 ILE B CB 4379 C CG1 . ILE B 20 ? 0.5447 0.9250 0.6398 0.0420 -0.1158 -0.2874 20 ILE B CG1 4380 C CG2 . ILE B 20 ? 0.5229 0.8433 0.5874 0.0494 -0.1032 -0.2530 20 ILE B CG2 4381 C CD1 . ILE B 20 ? 0.6352 0.9995 0.7264 0.0170 -0.1078 -0.2891 20 ILE B CD1 4382 N N . ARG B 21 ? 0.4991 0.9232 0.6118 0.0879 -0.1299 -0.2926 21 ARG B N 4383 C CA . ARG B 21 ? 0.4908 0.9442 0.6253 0.0894 -0.1276 -0.3022 21 ARG B CA 4384 C C . ARG B 21 ? 0.5531 1.0117 0.7017 0.0605 -0.1132 -0.3061 21 ARG B C 4385 O O . ARG B 21 ? 0.5639 1.0354 0.7215 0.0427 -0.1119 -0.3168 21 ARG B O 4386 C CB . ARG B 21 ? 0.4982 0.9975 0.6526 0.1021 -0.1406 -0.3228 21 ARG B CB 4387 C CG . ARG B 21 ? 0.6172 1.1466 0.7907 0.1129 -0.1413 -0.3323 21 ARG B CG 4388 C CD . ARG B 21 ? 0.7718 1.3504 0.9663 0.1263 -0.1552 -0.3545 21 ARG B CD 4389 N NE . ARG B 21 ? 0.9462 1.5698 1.1735 0.1052 -0.1486 -0.3744 21 ARG B NE 4390 C CZ . ARG B 21 ? 1.2173 1.8820 1.4696 0.1105 -0.1486 -0.3894 21 ARG B CZ 4391 N NH1 . ARG B 21 ? 1.0783 1.7433 1.3259 0.1384 -0.1563 -0.3873 21 ARG B NH1 4392 N NH2 . ARG B 21 ? 1.0922 1.7978 1.3734 0.0880 -0.1408 -0.4073 21 ARG B NH2 4393 N N . LEU B 22 ? 0.5115 0.9546 0.6580 0.0550 -0.1024 -0.2962 22 LEU B N 4394 C CA . LEU B 22 ? 0.5171 0.9611 0.6730 0.0284 -0.0883 -0.2984 22 LEU B CA 4395 C C . LEU B 22 ? 0.5884 1.0687 0.7683 0.0268 -0.0842 -0.3113 22 LEU B C 4396 O O . LEU B 22 ? 0.5799 1.0712 0.7632 0.0481 -0.0902 -0.3121 22 LEU B O 4397 C CB . LEU B 22 ? 0.5177 0.9173 0.6526 0.0208 -0.0781 -0.2784 22 LEU B CB 4398 C CG . LEU B 22 ? 0.5858 0.9490 0.6974 0.0190 -0.0793 -0.2659 22 LEU B CG 4399 C CD1 . LEU B 22 ? 0.5950 0.9216 0.6902 0.0117 -0.0693 -0.2487 22 LEU B CD1 4400 C CD2 . LEU B 22 ? 0.6271 0.9959 0.7420 0.0014 -0.0794 -0.2762 22 LEU B CD2 4401 N N . LYS B 23 ? 0.5616 1.0585 0.7562 0.0012 -0.0736 -0.3212 23 LYS B N 4402 C CA . LYS B 23 ? 0.5577 1.0915 0.7761 -0.0044 -0.0671 -0.3345 23 LYS B CA 4403 C C . LYS B 23 ? 0.6050 1.1130 0.8139 -0.0148 -0.0533 -0.3218 23 LYS B C 4404 O O . LYS B 23 ? 0.6100 1.0883 0.8051 -0.0352 -0.0437 -0.3125 23 LYS B O 4405 C CB . LYS B 23 ? 0.5938 1.1673 0.8353 -0.0272 -0.0636 -0.3556 23 LYS B CB 4406 C CG . LYS B 23 ? 0.8069 1.4269 1.0763 -0.0350 -0.0562 -0.3727 23 LYS B CG 4407 C CD . LYS B 23 ? 0.9144 1.5756 1.2030 -0.0064 -0.0683 -0.3855 23 LYS B CD 4408 C CE . LYS B 23 ? 0.9672 1.6675 1.2796 -0.0114 -0.0593 -0.3991 23 LYS B CE 4409 N NZ . LYS B 23 ? 1.0790 1.8041 1.4015 0.0214 -0.0706 -0.4058 23 LYS B NZ 4410 N N . ALA B 24 ? 0.5442 1.0608 0.7580 0.0010 -0.0533 -0.3209 24 ALA B N 4411 C CA . ALA B 24 ? 0.5329 1.0325 0.7410 -0.0074 -0.0409 -0.3121 24 ALA B CA 4412 C C . ALA B 24 ? 0.5681 1.1170 0.8045 -0.0143 -0.0350 -0.3321 24 ALA B C 4413 O O . ALA B 24 ? 0.5677 1.1583 0.8247 -0.0047 -0.0436 -0.3494 24 ALA B O 4414 C CB . ALA B 24 ? 0.5389 1.0115 0.7306 0.0162 -0.0458 -0.2973 24 ALA B CB 4415 N N . PRO B 25 ? 0.5077 1.0562 0.7465 -0.0313 -0.0205 -0.3317 25 PRO B N 4416 C CA . PRO B 25 ? 0.4980 1.0974 0.7648 -0.0399 -0.0138 -0.3525 25 PRO B CA 4417 C C . PRO B 25 ? 0.5369 1.1770 0.8237 -0.0120 -0.0242 -0.3666 25 PRO B C 4418 O O . PRO B 25 ? 0.5235 1.2155 0.8377 -0.0149 -0.0252 -0.3882 25 PRO B O 4419 C CB . PRO B 25 ? 0.5202 1.1006 0.7779 -0.0566 0.0023 -0.3445 25 PRO B CB 4420 C CG . PRO B 25 ? 0.5832 1.1093 0.8121 -0.0680 0.0054 -0.3242 25 PRO B CG 4421 C CD . PRO B 25 ? 0.5261 1.0301 0.7423 -0.0449 -0.0095 -0.3137 25 PRO B CD 4422 N N . GLY B 26 ? 0.4994 1.1155 0.7717 0.0145 -0.0322 -0.3550 26 GLY B N 4423 C CA . GLY B 26 ? 0.4934 1.1384 0.7782 0.0442 -0.0432 -0.3662 26 GLY B CA 4424 C C . GLY B 26 ? 0.5373 1.1921 0.8226 0.0680 -0.0616 -0.3709 26 GLY B C 4425 O O . GLY B 26 ? 0.5427 1.2232 0.8379 0.0940 -0.0723 -0.3819 26 GLY B O 4426 N N . GLY B 27 ? 0.4886 1.1210 0.7611 0.0608 -0.0659 -0.3624 27 GLY B N 4427 C CA . GLY B 27 ? 0.4903 1.1282 0.7598 0.0820 -0.0832 -0.3657 27 GLY B CA 4428 C C . GLY B 27 ? 0.5368 1.1291 0.7797 0.0791 -0.0867 -0.3475 27 GLY B C 4429 O O . GLY B 27 ? 0.5296 1.0875 0.7579 0.0596 -0.0757 -0.3332 27 GLY B O 4430 N N . PRO B 28 ? 0.5022 1.0934 0.7372 0.0992 -0.1022 -0.3482 28 PRO B N 4431 C CA . PRO B 28 ? 0.4922 1.0428 0.7022 0.0965 -0.1051 -0.3321 28 PRO B CA 4432 C C . PRO B 28 ? 0.5337 1.0325 0.7135 0.1070 -0.1038 -0.3089 28 PRO B C 4433 O O . PRO B 28 ? 0.5193 1.0111 0.6937 0.1235 -0.1054 -0.3052 28 PRO B O 4434 C CB . PRO B 28 ? 0.5221 1.0936 0.7347 0.1152 -0.1221 -0.3427 28 PRO B CB 4435 C CG . PRO B 28 ? 0.5807 1.1848 0.8073 0.1394 -0.1311 -0.3560 28 PRO B CG 4436 C CD . PRO B 28 ? 0.5238 1.1525 0.7722 0.1251 -0.1180 -0.3646 28 PRO B CD 4437 N N . VAL B 29 ? 0.4917 0.9546 0.6515 0.0969 -0.1010 -0.2941 29 VAL B N 4438 C CA . VAL B 29 ? 0.4843 0.8994 0.6151 0.1042 -0.1000 -0.2724 29 VAL B CA 4439 C C . VAL B 29 ? 0.5281 0.9257 0.6421 0.1079 -0.1075 -0.2663 29 VAL B C 4440 O O . VAL B 29 ? 0.5169 0.9324 0.6409 0.0976 -0.1096 -0.2765 29 VAL B O 4441 C CB . VAL B 29 ? 0.5230 0.9098 0.6458 0.0860 -0.0852 -0.2588 29 VAL B CB 4442 C CG1 . VAL B 29 ? 0.5088 0.9118 0.6459 0.0831 -0.0778 -0.2648 29 VAL B CG1 4443 C CG2 . VAL B 29 ? 0.5171 0.8965 0.6405 0.0611 -0.0770 -0.2574 29 VAL B CG2 4444 N N . SER B 30 ? 0.4856 0.8484 0.5735 0.1217 -0.1112 -0.2503 30 SER B N 4445 C CA . SER B 30 ? 0.4949 0.8377 0.5639 0.1249 -0.1165 -0.2427 30 SER B CA 4446 C C . SER B 30 ? 0.5265 0.8365 0.5822 0.1083 -0.1050 -0.2272 30 SER B C 4447 O O . SER B 30 ? 0.5345 0.8253 0.5834 0.1058 -0.0974 -0.2164 30 SER B O 4448 C CB . SER B 30 ? 0.5583 0.8834 0.6048 0.1498 -0.1271 -0.2351 30 SER B CB 4449 O OG . SER B 30 ? 0.6320 0.9849 0.6883 0.1684 -0.1389 -0.2490 30 SER B OG 4450 N N . ALA B 31 ? 0.4763 0.7812 0.5287 0.0972 -0.1040 -0.2272 31 ALA B N 4451 C CA . ALA B 31 ? 0.4706 0.7456 0.5098 0.0838 -0.0947 -0.2139 31 ALA B CA 4452 C C . ALA B 31 ? 0.5243 0.7826 0.5447 0.0900 -0.0999 -0.2080 31 ALA B C 4453 O O . ALA B 31 ? 0.5073 0.7807 0.5310 0.0930 -0.1078 -0.2182 31 ALA B O 4454 C CB . ALA B 31 ? 0.4707 0.7528 0.5234 0.0609 -0.0860 -0.2204 31 ALA B CB 4455 N N . PHE B 32 ? 0.5009 0.7302 0.5018 0.0927 -0.0959 -0.1922 32 PHE B N 4456 C CA . PHE B 32 ? 0.5048 0.7167 0.4861 0.0984 -0.0988 -0.1850 32 PHE B CA 4457 C C . PHE B 32 ? 0.5257 0.7186 0.5023 0.0840 -0.0890 -0.1767 32 PHE B C 4458 O O . PHE B 32 ? 0.4949 0.6713 0.4644 0.0826 -0.0824 -0.1651 32 PHE B O 4459 C CB . PHE B 32 ? 0.5434 0.7400 0.5050 0.1155 -0.1027 -0.1744 32 PHE B CB 4460 C CG . PHE B 32 ? 0.5849 0.7977 0.5487 0.1319 -0.1136 -0.1829 32 PHE B CG 4461 C CD1 . PHE B 32 ? 0.6255 0.8477 0.5995 0.1367 -0.1140 -0.1861 32 PHE B CD1 4462 C CD2 . PHE B 32 ? 0.6303 0.8493 0.5853 0.1438 -0.1242 -0.1884 32 PHE B CD2 4463 C CE1 . PHE B 32 ? 0.6542 0.8924 0.6303 0.1543 -0.1253 -0.1952 32 PHE B CE1 4464 C CE2 . PHE B 32 ? 0.6810 0.9159 0.6376 0.1607 -0.1357 -0.1971 32 PHE B CE2 4465 C CZ . PHE B 32 ? 0.6548 0.8995 0.6222 0.1663 -0.1365 -0.2007 32 PHE B CZ 4466 N N . LEU B 33 ? 0.4861 0.6822 0.4676 0.0727 -0.0883 -0.1839 33 LEU B N 4467 C CA . LEU B 33 ? 0.4727 0.6509 0.4498 0.0592 -0.0802 -0.1786 33 LEU B CA 4468 C C . LEU B 33 ? 0.5407 0.7032 0.5012 0.0628 -0.0816 -0.1742 33 LEU B C 4469 O O . LEU B 33 ? 0.5391 0.7083 0.4958 0.0690 -0.0888 -0.1808 33 LEU B O 4470 C CB . LEU B 33 ? 0.4634 0.6516 0.4550 0.0422 -0.0773 -0.1900 33 LEU B CB 4471 C CG . LEU B 33 ? 0.4858 0.6963 0.4968 0.0370 -0.0755 -0.1981 33 LEU B CG 4472 C CD1 . LEU B 33 ? 0.4769 0.6968 0.4994 0.0181 -0.0719 -0.2098 33 LEU B CD1 4473 C CD2 . LEU B 33 ? 0.4263 0.6271 0.4368 0.0367 -0.0683 -0.1877 33 LEU B CD2 4474 N N . GLY B 34 ? 0.5086 0.6515 0.4593 0.0595 -0.0751 -0.1638 34 GLY B N 4475 C CA . GLY B 34 ? 0.5121 0.6412 0.4475 0.0634 -0.0755 -0.1600 34 GLY B CA 4476 C C . GLY B 34 ? 0.5486 0.6767 0.4707 0.0779 -0.0789 -0.1538 34 GLY B C 4477 O O . GLY B 34 ? 0.5480 0.6739 0.4598 0.0834 -0.0827 -0.1565 34 GLY B O 4478 N N . ILE B 35 ? 0.4843 0.6118 0.4042 0.0838 -0.0772 -0.1456 35 ILE B N 4479 C CA . ILE B 35 ? 0.4843 0.6066 0.3876 0.0959 -0.0791 -0.1383 35 ILE B CA 4480 C C . ILE B 35 ? 0.5177 0.6270 0.4098 0.0941 -0.0722 -0.1289 35 ILE B C 4481 O O . ILE B 35 ? 0.4984 0.6019 0.3943 0.0877 -0.0655 -0.1223 35 ILE B O 4482 C CB . ILE B 35 ? 0.5223 0.6443 0.4234 0.1025 -0.0800 -0.1329 35 ILE B CB 4483 C CG1 . ILE B 35 ? 0.5099 0.6483 0.4242 0.1061 -0.0873 -0.1435 35 ILE B CG1 4484 C CG2 . ILE B 35 ? 0.5344 0.6457 0.4130 0.1133 -0.0812 -0.1245 35 ILE B CG2 4485 C CD1 . ILE B 35 ? 0.5177 0.6544 0.4321 0.1120 -0.0876 -0.1394 35 ILE B CD1 4486 N N . PRO B 36 ? 0.4802 0.5865 0.3586 0.1003 -0.0735 -0.1286 36 PRO B N 4487 C CA . PRO B 36 ? 0.4675 0.5660 0.3370 0.0993 -0.0665 -0.1208 36 PRO B CA 4488 C C . PRO B 36 ? 0.5107 0.6043 0.3717 0.1008 -0.0614 -0.1095 36 PRO B C 4489 O O . PRO B 36 ? 0.5069 0.5988 0.3569 0.1078 -0.0644 -0.1070 36 PRO B O 4490 C CB . PRO B 36 ? 0.4997 0.5988 0.3564 0.1067 -0.0699 -0.1251 36 PRO B CB 4491 C CG . PRO B 36 ? 0.5467 0.6516 0.3997 0.1139 -0.0783 -0.1305 36 PRO B CG 4492 C CD . PRO B 36 ? 0.4855 0.5972 0.3557 0.1088 -0.0815 -0.1358 36 PRO B CD 4493 N N . PHE B 37 ? 0.4636 0.5538 0.3283 0.0942 -0.0540 -0.1029 37 PHE B N 4494 C CA . PHE B 37 ? 0.4652 0.5504 0.3212 0.0934 -0.0485 -0.0927 37 PHE B CA 4495 C C . PHE B 37 ? 0.5337 0.6202 0.3812 0.0926 -0.0418 -0.0880 37 PHE B C 4496 O O . PHE B 37 ? 0.5410 0.6246 0.3793 0.0905 -0.0363 -0.0800 37 PHE B O 4497 C CB . PHE B 37 ? 0.4543 0.5361 0.3209 0.0860 -0.0454 -0.0889 37 PHE B CB 4498 C CG . PHE B 37 ? 0.4483 0.5316 0.3268 0.0781 -0.0413 -0.0892 37 PHE B CG 4499 C CD1 . PHE B 37 ? 0.4525 0.5357 0.3287 0.0743 -0.0348 -0.0830 37 PHE B CD1 4500 C CD2 . PHE B 37 ? 0.4493 0.5338 0.3405 0.0739 -0.0439 -0.0959 37 PHE B CD2 4501 C CE1 . PHE B 37 ? 0.4414 0.5253 0.3270 0.0687 -0.0323 -0.0835 37 PHE B CE1 4502 C CE2 . PHE B 37 ? 0.4494 0.5313 0.3477 0.0670 -0.0405 -0.0955 37 PHE B CE2 4503 C CZ . PHE B 37 ? 0.4236 0.5048 0.3188 0.0655 -0.0354 -0.0892 37 PHE B CZ 4504 N N . ALA B 38 ? 0.4774 0.5687 0.3278 0.0941 -0.0423 -0.0935 38 ALA B N 4505 C CA . ALA B 38 ? 0.4721 0.5687 0.3166 0.0951 -0.0365 -0.0913 38 ALA B CA 4506 C C . ALA B 38 ? 0.5289 0.6285 0.3678 0.1025 -0.0400 -0.0990 38 ALA B C 4507 O O . ALA B 38 ? 0.5175 0.6139 0.3600 0.1044 -0.0467 -0.1065 38 ALA B O 4508 C CB . ALA B 38 ? 0.4604 0.5593 0.3168 0.0891 -0.0324 -0.0898 38 ALA B CB 4509 N N . GLU B 39 ? 0.4850 0.5918 0.3157 0.1060 -0.0351 -0.0979 39 GLU B N 4510 C CA . GLU B 39 ? 0.5006 0.6105 0.3258 0.1137 -0.0374 -0.1057 39 GLU B CA 4511 C C . GLU B 39 ? 0.5751 0.6813 0.4116 0.1128 -0.0397 -0.1110 39 GLU B C 4512 O O . GLU B 39 ? 0.5740 0.6824 0.4192 0.1081 -0.0358 -0.1070 39 GLU B O 4513 C CB . GLU B 39 ? 0.5135 0.6350 0.3291 0.1169 -0.0300 -0.1034 39 GLU B CB 4514 C CG . GLU B 39 ? 0.5382 0.6596 0.3362 0.1191 -0.0281 -0.0997 39 GLU B CG 4515 C CD . GLU B 39 ? 0.7134 0.8291 0.5018 0.1271 -0.0361 -0.1067 39 GLU B CD 4516 O OE1 . GLU B 39 ? 0.7321 0.8525 0.5151 0.1340 -0.0368 -0.1136 39 GLU B OE1 4517 O OE2 . GLU B 39 ? 0.5469 0.6544 0.3340 0.1270 -0.0424 -0.1063 39 GLU B OE2 4518 N N . PRO B 40 ? 0.5342 0.6330 0.3691 0.1167 -0.0462 -0.1199 40 PRO B N 4519 C CA . PRO B 40 ? 0.5121 0.6019 0.3528 0.1156 -0.0483 -0.1243 40 PRO B CA 4520 C C . PRO B 40 ? 0.5712 0.6681 0.4128 0.1197 -0.0434 -0.1224 40 PRO B C 4521 O O . PRO B 40 ? 0.5794 0.6867 0.4139 0.1274 -0.0408 -0.1242 40 PRO B O 4522 C CB . PRO B 40 ? 0.5455 0.6263 0.3782 0.1205 -0.0549 -0.1343 40 PRO B CB 4523 C CG . PRO B 40 ? 0.5861 0.6710 0.4156 0.1202 -0.0582 -0.1350 40 PRO B CG 4524 C CD . PRO B 40 ? 0.5257 0.6220 0.3510 0.1221 -0.0521 -0.1265 40 PRO B CD 4525 N N . PRO B 41 ? 0.4921 0.5860 0.3427 0.1145 -0.0419 -0.1188 41 PRO B N 4526 C CA . PRO B 41 ? 0.4887 0.5934 0.3419 0.1188 -0.0379 -0.1174 41 PRO B CA 4527 C C . PRO B 41 ? 0.5727 0.6688 0.4198 0.1288 -0.0423 -0.1252 41 PRO B C 4528 O O . PRO B 41 ? 0.5741 0.6644 0.4240 0.1299 -0.0438 -0.1253 41 PRO B O 4529 C CB . PRO B 41 ? 0.4885 0.5915 0.3522 0.1094 -0.0358 -0.1108 41 PRO B CB 4530 C CG . PRO B 41 ? 0.5363 0.6203 0.4010 0.1029 -0.0407 -0.1125 41 PRO B CG 4531 C CD . PRO B 41 ? 0.4901 0.5731 0.3489 0.1046 -0.0435 -0.1163 41 PRO B CD 4532 N N . VAL B 42 ? 0.5503 0.6441 0.3871 0.1369 -0.0451 -0.1321 42 VAL B N 4533 C CA . VAL B 42 ? 0.5659 0.6468 0.3930 0.1473 -0.0505 -0.1408 42 VAL B CA 4534 C C . VAL B 42 ? 0.6054 0.7041 0.4279 0.1608 -0.0478 -0.1453 42 VAL B C 4535 O O . VAL B 42 ? 0.5882 0.7085 0.4127 0.1606 -0.0415 -0.1426 42 VAL B O 4536 C CB . VAL B 42 ? 0.6123 0.6739 0.4301 0.1456 -0.0567 -0.1472 42 VAL B CB 4537 C CG1 . VAL B 42 ? 0.5902 0.6382 0.4144 0.1318 -0.0587 -0.1442 42 VAL B CG1 4538 C CG2 . VAL B 42 ? 0.6055 0.6792 0.4177 0.1490 -0.0557 -0.1493 42 VAL B CG2 4539 N N . GLY B 43 ? 0.6052 0.6933 0.4197 0.1724 -0.0525 -0.1528 43 GLY B N 4540 C CA . GLY B 43 ? 0.6212 0.7263 0.4314 0.1876 -0.0508 -0.1594 43 GLY B CA 4541 C C . GLY B 43 ? 0.6687 0.8042 0.4918 0.1883 -0.0438 -0.1554 43 GLY B C 4542 O O . GLY B 43 ? 0.6441 0.7790 0.4749 0.1869 -0.0448 -0.1526 43 GLY B O 4543 N N . SER B 44 ? 0.6201 0.7823 0.4449 0.1888 -0.0361 -0.1551 44 SER B N 4544 C CA . SER B 44 ? 0.6096 0.8047 0.4465 0.1870 -0.0277 -0.1523 44 SER B CA 4545 C C . SER B 44 ? 0.6268 0.8241 0.4749 0.1705 -0.0238 -0.1415 44 SER B C 4546 O O . SER B 44 ? 0.6319 0.8515 0.4914 0.1675 -0.0187 -0.1394 44 SER B O 4547 C CB . SER B 44 ? 0.6718 0.8914 0.5040 0.1892 -0.0196 -0.1547 44 SER B CB 4548 O OG . SER B 44 ? 0.7563 0.9703 0.5834 0.1766 -0.0158 -0.1470 44 SER B OG 4549 N N . ARG B 45 ? 0.5598 0.7354 0.4049 0.1599 -0.0262 -0.1355 45 ARG B N 4550 C CA . ARG B 45 ? 0.5404 0.7141 0.3940 0.1451 -0.0232 -0.1258 45 ARG B CA 4551 C C . ARG B 45 ? 0.5865 0.7460 0.4473 0.1425 -0.0282 -0.1241 45 ARG B C 4552 O O . ARG B 45 ? 0.5830 0.7412 0.4511 0.1310 -0.0258 -0.1168 45 ARG B O 4553 C CB . ARG B 45 ? 0.5011 0.6607 0.3484 0.1369 -0.0237 -0.1211 45 ARG B CB 4554 C CG . ARG B 45 ? 0.5869 0.7569 0.4235 0.1385 -0.0191 -0.1212 45 ARG B CG 4555 C CD . ARG B 45 ? 0.7927 0.9448 0.6225 0.1335 -0.0232 -0.1184 45 ARG B CD 4556 N NE . ARG B 45 ? 0.9037 1.0591 0.7192 0.1370 -0.0216 -0.1194 45 ARG B NE 4557 C CZ . ARG B 45 ? 1.0653 1.2076 0.8719 0.1404 -0.0282 -0.1233 45 ARG B CZ 4558 N NH1 . ARG B 45 ? 0.6348 0.7610 0.4462 0.1395 -0.0362 -0.1271 45 ARG B NH1 4559 N NH2 . ARG B 45 ? 1.0169 1.1627 0.8089 0.1441 -0.0268 -0.1238 45 ARG B NH2 4560 N N . ARG B 46 ? 0.5531 0.6993 0.4093 0.1531 -0.0351 -0.1308 46 ARG B N 4561 C CA . ARG B 46 ? 0.5510 0.6818 0.4104 0.1510 -0.0398 -0.1290 46 ARG B CA 4562 C C . ARG B 46 ? 0.5677 0.7230 0.4396 0.1496 -0.0354 -0.1259 46 ARG B C 4563 O O . ARG B 46 ? 0.5713 0.7525 0.4469 0.1576 -0.0322 -0.1303 46 ARG B O 4564 C CB . ARG B 46 ? 0.5755 0.6847 0.4230 0.1640 -0.0481 -0.1367 46 ARG B CB 4565 C CG . ARG B 46 ? 0.5919 0.6801 0.4380 0.1615 -0.0531 -0.1342 46 ARG B CG 4566 C CD . ARG B 46 ? 0.5916 0.6590 0.4230 0.1764 -0.0611 -0.1417 46 ARG B CD 4567 N NE . ARG B 46 ? 0.5861 0.6204 0.4021 0.1744 -0.0659 -0.1450 46 ARG B NE 4568 C CZ . ARG B 46 ? 0.7274 0.7351 0.5254 0.1858 -0.0732 -0.1516 46 ARG B CZ 4569 N NH1 . ARG B 46 ? 0.5785 0.5897 0.3718 0.2024 -0.0772 -0.1559 46 ARG B NH1 4570 N NH2 . ARG B 46 ? 0.5495 0.5267 0.3335 0.1807 -0.0768 -0.1546 46 ARG B NH2 4571 N N . PHE B 47 ? 0.5215 0.6709 0.4005 0.1383 -0.0349 -0.1190 47 PHE B N 4572 C CA . PHE B 47 ? 0.4860 0.6549 0.3770 0.1333 -0.0314 -0.1154 47 PHE B CA 4573 C C . PHE B 47 ? 0.5122 0.7050 0.4108 0.1228 -0.0220 -0.1106 47 PHE B C 4574 O O . PHE B 47 ? 0.4975 0.7071 0.4059 0.1162 -0.0183 -0.1078 47 PHE B O 4575 C CB . PHE B 47 ? 0.5045 0.6888 0.3981 0.1476 -0.0350 -0.1224 47 PHE B CB 4576 C CG . PHE B 47 ? 0.5308 0.6896 0.4120 0.1612 -0.0447 -0.1280 47 PHE B CG 4577 C CD1 . PHE B 47 ? 0.5576 0.6854 0.4319 0.1563 -0.0500 -0.1243 47 PHE B CD1 4578 C CD2 . PHE B 47 ? 0.5455 0.7101 0.4201 0.1789 -0.0483 -0.1372 47 PHE B CD2 4579 C CE1 . PHE B 47 ? 0.5881 0.6879 0.4469 0.1678 -0.0587 -0.1290 47 PHE B CE1 4580 C CE2 . PHE B 47 ? 0.5928 0.7290 0.4523 0.1919 -0.0578 -0.1424 47 PHE B CE2 4581 C CZ . PHE B 47 ? 0.5820 0.6847 0.4328 0.1858 -0.0629 -0.1379 47 PHE B CZ 4582 N N . MET B 48 ? 0.4745 0.6672 0.3667 0.1209 -0.0184 -0.1099 48 MET B N 4583 C CA A MET B 48 ? 0.4566 0.6663 0.3500 0.1113 -0.0094 -0.1051 48 MET B CA 4584 C CA B MET B 48 ? 0.4617 0.6718 0.3555 0.1112 -0.0094 -0.1050 48 MET B CA 4585 C C . MET B 48 ? 0.5009 0.6937 0.3927 0.0980 -0.0080 -0.0964 48 MET B C 4586 O O . MET B 48 ? 0.4763 0.6462 0.3643 0.0981 -0.0137 -0.0959 48 MET B O 4587 C CB A MET B 48 ? 0.4908 0.7065 0.3740 0.1176 -0.0068 -0.1088 48 MET B CB 4588 C CB B MET B 48 ? 0.4997 0.7210 0.3849 0.1179 -0.0059 -0.1093 48 MET B CB 4589 C CG A MET B 48 ? 0.5403 0.7762 0.4243 0.1313 -0.0067 -0.1181 48 MET B CG 4590 C CG B MET B 48 ? 0.5533 0.7949 0.4410 0.1322 -0.0067 -0.1190 48 MET B CG 4591 S SD A MET B 48 ? 0.6014 0.8549 0.4751 0.1330 0.0015 -0.1204 48 MET B SD 4592 S SD B MET B 48 ? 0.6170 0.8916 0.5017 0.1343 0.0036 -0.1232 48 MET B SD 4593 C CE A MET B 48 ? 0.5567 0.8428 0.4404 0.1196 0.0135 -0.1163 48 MET B CE 4594 C CE B MET B 48 ? 0.5813 0.8334 0.4480 0.1346 0.0026 -0.1212 48 MET B CE 4595 N N . PRO B 49 ? 0.4854 0.6888 0.3787 0.0863 -0.0003 -0.0902 49 PRO B N 4596 C CA . PRO B 49 ? 0.4806 0.6658 0.3696 0.0758 0.0005 -0.0825 49 PRO B CA 4597 C C . PRO B 49 ? 0.5115 0.6807 0.3890 0.0801 -0.0028 -0.0827 49 PRO B C 4598 O O . PRO B 49 ? 0.4866 0.6618 0.3571 0.0880 -0.0027 -0.0872 49 PRO B O 4599 C CB . PRO B 49 ? 0.5068 0.7058 0.3939 0.0646 0.0099 -0.0772 49 PRO B CB 4600 C CG . PRO B 49 ? 0.5517 0.7780 0.4502 0.0659 0.0129 -0.0821 49 PRO B CG 4601 C CD . PRO B 49 ? 0.5008 0.7323 0.3986 0.0816 0.0081 -0.0905 49 PRO B CD 4602 N N . PRO B 50 ? 0.4564 0.6062 0.3321 0.0758 -0.0064 -0.0791 50 PRO B N 4603 C CA . PRO B 50 ? 0.4357 0.5735 0.3019 0.0806 -0.0106 -0.0806 50 PRO B CA 4604 C C . PRO B 50 ? 0.5112 0.6516 0.3634 0.0791 -0.0055 -0.0764 50 PRO B C 4605 O O . PRO B 50 ? 0.5085 0.6523 0.3578 0.0706 0.0011 -0.0702 50 PRO B O 4606 C CB . PRO B 50 ? 0.4456 0.5672 0.3161 0.0757 -0.0148 -0.0783 50 PRO B CB 4607 C CG . PRO B 50 ? 0.4919 0.6157 0.3676 0.0662 -0.0099 -0.0720 50 PRO B CG 4608 C CD . PRO B 50 ? 0.4404 0.5806 0.3228 0.0671 -0.0068 -0.0743 50 PRO B CD 4609 N N . GLU B 51 ? 0.4892 0.6266 0.3310 0.0867 -0.0085 -0.0799 51 GLU B N 4610 C CA . GLU B 51 ? 0.5097 0.6451 0.3343 0.0862 -0.0048 -0.0758 51 GLU B CA 4611 C C . GLU B 51 ? 0.5572 0.6748 0.3751 0.0887 -0.0121 -0.0748 51 GLU B C 4612 O O . GLU B 51 ? 0.5378 0.6509 0.3635 0.0932 -0.0195 -0.0807 51 GLU B O 4613 C CB A GLU B 51 ? 0.5381 0.6838 0.3535 0.0947 -0.0037 -0.0815 51 GLU B CB 4614 C CB B GLU B 51 ? 0.5380 0.6861 0.3534 0.0932 -0.0018 -0.0805 51 GLU B CB 4615 C CG A GLU B 51 ? 0.6834 0.8509 0.5050 0.0951 0.0031 -0.0846 51 GLU B CG 4616 C CG B GLU B 51 ? 0.6492 0.8190 0.4703 0.0892 0.0072 -0.0807 51 GLU B CG 4617 C CD A GLU B 51 ? 0.9402 1.1166 0.7539 0.1059 0.0026 -0.0922 51 GLU B CD 4618 C CD B GLU B 51 ? 0.8901 1.0635 0.7077 0.0760 0.0163 -0.0724 51 GLU B CD 4619 O OE1 A GLU B 51 ? 0.7508 0.9260 0.5711 0.1148 -0.0039 -0.1000 51 GLU B OE1 4620 O OE1 B GLU B 51 ? 0.8555 1.0163 0.6554 0.0714 0.0191 -0.0660 51 GLU B OE1 4621 O OE2 A GLU B 51 ? 0.9713 1.1528 0.7699 0.1055 0.0083 -0.0905 51 GLU B OE2 4622 O OE2 B GLU B 51 ? 0.8330 1.0209 0.6640 0.0701 0.0205 -0.0726 51 GLU B OE2 4623 N N . PRO B 52 ? 0.5564 0.6634 0.3596 0.0858 -0.0103 -0.0680 52 PRO B N 4624 C CA . PRO B 52 ? 0.5648 0.6571 0.3623 0.0907 -0.0186 -0.0683 52 PRO B CA 4625 C C . PRO B 52 ? 0.6075 0.7009 0.3996 0.1011 -0.0258 -0.0759 52 PRO B C 4626 O O . PRO B 52 ? 0.6066 0.7064 0.3880 0.1051 -0.0232 -0.0778 52 PRO B O 4627 C CB . PRO B 52 ? 0.6134 0.6923 0.3903 0.0873 -0.0149 -0.0594 52 PRO B CB 4628 C CG . PRO B 52 ? 0.6804 0.7661 0.4580 0.0761 -0.0040 -0.0538 52 PRO B CG 4629 C CD . PRO B 52 ? 0.6052 0.7119 0.3942 0.0780 -0.0011 -0.0601 52 PRO B CD 4630 N N . LYS B 53 ? 0.5509 0.6397 0.3509 0.1049 -0.0347 -0.0812 53 LYS B N 4631 C CA . LYS B 53 ? 0.5448 0.6352 0.3414 0.1135 -0.0426 -0.0897 53 LYS B CA 4632 C C . LYS B 53 ? 0.6415 0.7266 0.4143 0.1204 -0.0439 -0.0872 53 LYS B C 4633 O O . LYS B 53 ? 0.6726 0.7469 0.4330 0.1205 -0.0440 -0.0804 53 LYS B O 4634 C CB . LYS B 53 ? 0.5555 0.6443 0.3661 0.1140 -0.0510 -0.0957 53 LYS B CB 4635 C CG . LYS B 53 ? 0.5485 0.6397 0.3563 0.1216 -0.0604 -0.1054 53 LYS B CG 4636 C CD . LYS B 53 ? 0.5330 0.6290 0.3461 0.1220 -0.0611 -0.1136 53 LYS B CD 4637 C CE . LYS B 53 ? 0.5381 0.6361 0.3483 0.1281 -0.0707 -0.1239 53 LYS B CE 4638 N NZ . LYS B 53 ? 0.6233 0.7210 0.4125 0.1370 -0.0719 -0.1236 53 LYS B NZ 4639 N N . ARG B 54 ? 0.6034 0.6936 0.3668 0.1266 -0.0449 -0.0924 54 ARG B N 4640 C CA . ARG B 54 ? 0.6185 0.7027 0.3568 0.1334 -0.0463 -0.0903 54 ARG B CA 4641 C C . ARG B 54 ? 0.6708 0.7487 0.4062 0.1412 -0.0586 -0.0948 54 ARG B C 4642 O O . ARG B 54 ? 0.6068 0.6909 0.3603 0.1418 -0.0654 -0.1035 54 ARG B O 4643 C CB . ARG B 54 ? 0.6155 0.7079 0.3449 0.1388 -0.0448 -0.0962 54 ARG B CB 4644 C CG . ARG B 54 ? 0.6129 0.7164 0.3446 0.1343 -0.0338 -0.0946 54 ARG B CG 4645 C CD . ARG B 54 ? 0.6278 0.7395 0.3526 0.1426 -0.0348 -0.1036 54 ARG B CD 4646 N NE . ARG B 54 ? 0.5963 0.7087 0.3367 0.1462 -0.0432 -0.1139 54 ARG B NE 4647 C CZ . ARG B 54 ? 0.7872 0.8966 0.5221 0.1536 -0.0521 -0.1229 54 ARG B CZ 4648 N NH1 . ARG B 54 ? 0.5898 0.6975 0.3390 0.1536 -0.0588 -0.1316 54 ARG B NH1 4649 N NH2 . ARG B 54 ? 0.6112 0.7183 0.3248 0.1602 -0.0544 -0.1234 54 ARG B NH2 4650 N N . PRO B 55 ? 0.7139 0.7799 0.4259 0.1473 -0.0618 -0.0899 55 PRO B N 4651 C CA . PRO B 55 ? 0.7252 0.7886 0.4349 0.1572 -0.0749 -0.0959 55 PRO B CA 4652 C C . PRO B 55 ? 0.7198 0.7946 0.4354 0.1632 -0.0832 -0.1086 55 PRO B C 4653 O O . PRO B 55 ? 0.7201 0.7990 0.4294 0.1637 -0.0795 -0.1112 55 PRO B O 4654 C CB . PRO B 55 ? 0.7859 0.8321 0.4621 0.1641 -0.0760 -0.0879 55 PRO B CB 4655 C CG . PRO B 55 ? 0.8642 0.9012 0.5309 0.1538 -0.0627 -0.0759 55 PRO B CG 4656 C CD . PRO B 55 ? 0.7804 0.8342 0.4654 0.1456 -0.0539 -0.0791 55 PRO B CD 4657 N N . TRP B 56 ? 0.6383 0.7189 0.3661 0.1677 -0.0943 -0.1173 56 TRP B N 4658 C CA . TRP B 56 ? 0.6269 0.7186 0.3620 0.1716 -0.1031 -0.1306 56 TRP B CA 4659 C C . TRP B 56 ? 0.7224 0.8141 0.4435 0.1842 -0.1158 -0.1357 56 TRP B C 4660 O O . TRP B 56 ? 0.7440 0.8279 0.4554 0.1901 -0.1193 -0.1300 56 TRP B O 4661 C CB . TRP B 56 ? 0.5846 0.6871 0.3500 0.1631 -0.1048 -0.1390 56 TRP B CB 4662 C CG . TRP B 56 ? 0.5806 0.6865 0.3597 0.1625 -0.1089 -0.1390 56 TRP B CG 4663 C CD1 . TRP B 56 ? 0.6192 0.7338 0.4024 0.1698 -0.1203 -0.1472 56 TRP B CD1 4664 C CD2 . TRP B 56 ? 0.5640 0.6655 0.3535 0.1552 -0.1017 -0.1309 56 TRP B CD2 4665 N NE1 . TRP B 56 ? 0.6042 0.7204 0.3995 0.1684 -0.1205 -0.1448 56 TRP B NE1 4666 C CE2 . TRP B 56 ? 0.6122 0.7195 0.4116 0.1589 -0.1090 -0.1348 56 TRP B CE2 4667 C CE3 . TRP B 56 ? 0.5705 0.6654 0.3628 0.1461 -0.0902 -0.1217 56 TRP B CE3 4668 C CZ2 . TRP B 56 ? 0.5962 0.7008 0.4063 0.1540 -0.1048 -0.1295 56 TRP B CZ2 4669 C CZ3 . TRP B 56 ? 0.5803 0.6722 0.3831 0.1405 -0.0864 -0.1161 56 TRP B CZ3 4670 C CH2 . TRP B 56 ? 0.5888 0.6844 0.3995 0.1445 -0.0934 -0.1198 56 TRP B CH2 4671 N N . SER B 57 ? 0.6528 0.7527 0.3720 0.1890 -0.1235 -0.1469 57 SER B N 4672 C CA . SER B 57 ? 0.6675 0.7707 0.3748 0.2015 -0.1370 -0.1540 57 SER B CA 4673 C C . SER B 57 ? 0.7035 0.8245 0.4377 0.2001 -0.1470 -0.1668 57 SER B C 4674 O O . SER B 57 ? 0.6686 0.7978 0.4268 0.1885 -0.1430 -0.1719 57 SER B O 4675 C CB . SER B 57 ? 0.7117 0.8155 0.4023 0.2067 -0.1402 -0.1605 57 SER B CB 4676 O OG . SER B 57 ? 0.7424 0.8581 0.4534 0.1998 -0.1423 -0.1731 57 SER B OG 4677 N N . GLY B 58 ? 0.6859 0.8135 0.4145 0.2121 -0.1601 -0.1732 58 GLY B N 4678 C CA . GLY B 58 ? 0.6719 0.8215 0.4257 0.2120 -0.1705 -0.1874 58 GLY B CA 4679 C C . GLY B 58 ? 0.6835 0.8394 0.4616 0.2048 -0.1664 -0.1856 58 GLY B C 4680 O O . GLY B 58 ? 0.6732 0.8143 0.4435 0.2051 -0.1593 -0.1725 58 GLY B O 4681 N N . VAL B 59 ? 0.6212 0.7992 0.4280 0.1972 -0.1705 -0.1992 59 VAL B N 4682 C CA . VAL B 59 ? 0.5964 0.7842 0.4284 0.1893 -0.1668 -0.2000 59 VAL B CA 4683 C C . VAL B 59 ? 0.6608 0.8478 0.5100 0.1703 -0.1559 -0.2007 59 VAL B C 4684 O O . VAL B 59 ? 0.6552 0.8520 0.5141 0.1624 -0.1584 -0.2124 59 VAL B O 4685 C CB . VAL B 59 ? 0.6285 0.8444 0.4799 0.1949 -0.1793 -0.2156 59 VAL B CB 4686 C CG1 . VAL B 59 ? 0.5983 0.8243 0.4733 0.1886 -0.1746 -0.2158 59 VAL B CG1 4687 C CG2 . VAL B 59 ? 0.6409 0.8571 0.4717 0.2165 -0.1928 -0.2169 59 VAL B CG2 4688 N N . LEU B 60 ? 0.6389 0.8118 0.4892 0.1631 -0.1442 -0.1882 60 LEU B N 4689 C CA . LEU B 60 ? 0.6209 0.7899 0.4848 0.1468 -0.1342 -0.1874 60 LEU B CA 4690 C C . LEU B 60 ? 0.6366 0.8236 0.5275 0.1370 -0.1351 -0.1972 60 LEU B C 4691 O O . LEU B 60 ? 0.6244 0.8197 0.5239 0.1411 -0.1367 -0.1965 60 LEU B O 4692 C CB . LEU B 60 ? 0.6293 0.7797 0.4852 0.1435 -0.1224 -0.1715 60 LEU B CB 4693 C CG . LEU B 60 ? 0.6856 0.8295 0.5520 0.1289 -0.1126 -0.1696 60 LEU B CG 4694 C CD1 . LEU B 60 ? 0.7051 0.8333 0.5557 0.1297 -0.1046 -0.1584 60 LEU B CD1 4695 C CD2 . LEU B 60 ? 0.7405 0.8867 0.6238 0.1203 -0.1072 -0.1666 60 LEU B CD2 4696 N N . ASP B 61 ? 0.5909 0.7831 0.4937 0.1240 -0.1339 -0.2069 61 ASP B N 4697 C CA . ASP B 61 ? 0.5870 0.7957 0.5143 0.1112 -0.1329 -0.2166 61 ASP B CA 4698 C C . ASP B 61 ? 0.5911 0.7886 0.5253 0.1010 -0.1213 -0.2066 61 ASP B C 4699 O O . ASP B 61 ? 0.5691 0.7486 0.4971 0.0928 -0.1138 -0.2006 61 ASP B O 4700 C CB . ASP B 61 ? 0.6343 0.8478 0.5678 0.0988 -0.1349 -0.2298 61 ASP B CB 4701 C CG . ASP B 61 ? 0.8426 1.0782 0.8008 0.0855 -0.1350 -0.2424 61 ASP B CG 4702 O OD1 . ASP B 61 ? 0.9035 1.1657 0.8730 0.0911 -0.1444 -0.2546 61 ASP B OD1 4703 O OD2 . ASP B 61 ? 0.8470 1.0748 0.8129 0.0701 -0.1260 -0.2405 61 ASP B OD2 4704 N N . ALA B 62 ? 0.5262 0.7343 0.4721 0.1030 -0.1205 -0.2053 62 ALA B N 4705 C CA . ALA B 62 ? 0.5041 0.7042 0.4573 0.0942 -0.1105 -0.1971 62 ALA B CA 4706 C C . ALA B 62 ? 0.5479 0.7692 0.5250 0.0825 -0.1095 -0.2088 62 ALA B C 4707 O O . ALA B 62 ? 0.5214 0.7512 0.5085 0.0840 -0.1074 -0.2077 62 ALA B O 4708 C CB . ALA B 62 ? 0.5094 0.7011 0.4528 0.1066 -0.1097 -0.1852 62 ALA B CB 4709 N N . THR B 63 ? 0.5284 0.7588 0.5138 0.0705 -0.1109 -0.2211 63 THR B N 4710 C CA . THR B 63 ? 0.5184 0.7717 0.5263 0.0567 -0.1094 -0.2342 63 THR B CA 4711 C C . THR B 63 ? 0.5571 0.7961 0.5675 0.0354 -0.0986 -0.2330 63 THR B C 4712 O O . THR B 63 ? 0.5451 0.8010 0.5725 0.0215 -0.0951 -0.2428 63 THR B O 4713 C CB . THR B 63 ? 0.5545 0.8339 0.5724 0.0567 -0.1193 -0.2519 63 THR B CB 4714 O OG1 . THR B 63 ? 0.5561 0.8212 0.5641 0.0469 -0.1193 -0.2554 63 THR B OG1 4715 C CG2 . THR B 63 ? 0.5346 0.8283 0.5483 0.0791 -0.1316 -0.2543 63 THR B CG2 4716 N N . THR B 64 ? 0.5018 0.7103 0.4944 0.0330 -0.0937 -0.2220 64 THR B N 4717 C CA . THR B 64 ? 0.4980 0.6872 0.4875 0.0152 -0.0849 -0.2198 64 THR B CA 4718 C C . THR B 64 ? 0.5180 0.6813 0.4938 0.0191 -0.0785 -0.2036 64 THR B C 4719 O O . THR B 64 ? 0.5096 0.6656 0.4741 0.0336 -0.0811 -0.1950 64 THR B O 4720 C CB . THR B 64 ? 0.6475 0.8246 0.6274 0.0064 -0.0874 -0.2276 64 THR B CB 4721 O OG1 . THR B 64 ? 0.6899 0.8521 0.6523 0.0206 -0.0917 -0.2212 64 THR B OG1 4722 C CG2 . THR B 64 ? 0.6757 0.8786 0.6693 -0.0010 -0.0936 -0.2455 64 THR B CG2 4723 N N . PHE B 65 ? 0.4871 0.6362 0.4623 0.0057 -0.0703 -0.1999 65 PHE B N 4724 C CA . PHE B 65 ? 0.4760 0.6017 0.4386 0.0088 -0.0650 -0.1858 65 PHE B CA 4725 C C . PHE B 65 ? 0.5565 0.6617 0.5012 0.0137 -0.0674 -0.1831 65 PHE B C 4726 O O . PHE B 65 ? 0.5677 0.6668 0.5076 0.0071 -0.0701 -0.1917 65 PHE B O 4727 C CB . PHE B 65 ? 0.4895 0.6028 0.4528 -0.0067 -0.0567 -0.1836 65 PHE B CB 4728 C CG . PHE B 65 ? 0.4910 0.6212 0.4694 -0.0099 -0.0525 -0.1834 65 PHE B CG 4729 C CD1 . PHE B 65 ? 0.4852 0.6182 0.4646 0.0020 -0.0519 -0.1740 65 PHE B CD1 4730 C CD2 . PHE B 65 ? 0.4954 0.6378 0.4859 -0.0257 -0.0485 -0.1931 65 PHE B CD2 4731 C CE1 . PHE B 65 ? 0.4826 0.6293 0.4745 0.0000 -0.0483 -0.1744 65 PHE B CE1 4732 C CE2 . PHE B 65 ? 0.5034 0.6623 0.5076 -0.0278 -0.0442 -0.1937 65 PHE B CE2 4733 C CZ . PHE B 65 ? 0.4646 0.6250 0.4692 -0.0141 -0.0446 -0.1845 65 PHE B CZ 4734 N N . GLN B 66 ? 0.5208 0.6157 0.4557 0.0248 -0.0661 -0.1718 66 GLN B N 4735 C CA . GLN B 66 ? 0.5215 0.5993 0.4401 0.0315 -0.0677 -0.1689 66 GLN B CA 4736 C C . GLN B 66 ? 0.5743 0.6275 0.4829 0.0241 -0.0629 -0.1646 66 GLN B C 4737 O O . GLN B 66 ? 0.5489 0.5975 0.4622 0.0126 -0.0582 -0.1637 66 GLN B O 4738 C CB . GLN B 66 ? 0.5195 0.6022 0.4326 0.0469 -0.0685 -0.1602 66 GLN B CB 4739 C CG . GLN B 66 ? 0.5332 0.6268 0.4427 0.0566 -0.0755 -0.1659 66 GLN B CG 4740 C CD . GLN B 66 ? 0.6768 0.7581 0.5727 0.0594 -0.0784 -0.1705 66 GLN B CD 4741 O OE1 . GLN B 66 ? 0.6663 0.7292 0.5546 0.0549 -0.0757 -0.1697 66 GLN B OE1 4742 N NE2 . GLN B 66 ? 0.6266 0.7158 0.5169 0.0683 -0.0844 -0.1752 66 GLN B NE2 4743 N N . ASN B 67 ? 0.5343 0.5717 0.4279 0.0315 -0.0644 -0.1626 67 ASN B N 4744 C CA . ASN B 67 ? 0.5365 0.5488 0.4173 0.0286 -0.0618 -0.1590 67 ASN B CA 4745 C C . ASN B 67 ? 0.5558 0.5661 0.4396 0.0281 -0.0564 -0.1488 67 ASN B C 4746 O O . ASN B 67 ? 0.5300 0.5561 0.4221 0.0345 -0.0547 -0.1425 67 ASN B O 4747 C CB . ASN B 67 ? 0.4872 0.4886 0.3530 0.0413 -0.0651 -0.1589 67 ASN B CB 4748 C CG . ASN B 67 ? 0.8074 0.8053 0.6664 0.0413 -0.0707 -0.1696 67 ASN B CG 4749 O OD1 . ASN B 67 ? 0.6276 0.6212 0.4884 0.0284 -0.0718 -0.1777 67 ASN B OD1 4750 N ND2 . ASN B 67 ? 0.7254 0.7257 0.5761 0.0548 -0.0739 -0.1704 67 ASN B ND2 4751 N N . VAL B 68 ? 0.5097 0.4982 0.3844 0.0205 -0.0541 -0.1474 68 VAL B N 4752 C CA . VAL B 68 ? 0.5038 0.4862 0.3780 0.0196 -0.0498 -0.1387 68 VAL B CA 4753 C C . VAL B 68 ? 0.5547 0.5291 0.4179 0.0335 -0.0515 -0.1336 68 VAL B C 4754 O O . VAL B 68 ? 0.5601 0.5208 0.4104 0.0394 -0.0554 -0.1379 68 VAL B O 4755 C CB . VAL B 68 ? 0.5654 0.5270 0.4326 0.0042 -0.0468 -0.1405 68 VAL B CB 4756 C CG1 . VAL B 68 ? 0.5598 0.5100 0.4214 0.0044 -0.0436 -0.1317 68 VAL B CG1 4757 C CG2 . VAL B 68 ? 0.5510 0.5283 0.4329 -0.0095 -0.0438 -0.1462 68 VAL B CG2 4758 N N . CYS B 69 ? 0.5127 0.4973 0.3816 0.0389 -0.0488 -0.1254 69 CYS B N 4759 C CA . CYS B 69 ? 0.5192 0.5017 0.3806 0.0514 -0.0500 -0.1215 69 CYS B CA 4760 C C . CYS B 69 ? 0.5714 0.5262 0.4160 0.0520 -0.0524 -0.1226 69 CYS B C 4761 O O . CYS B 69 ? 0.5842 0.5231 0.4245 0.0412 -0.0507 -0.1216 69 CYS B O 4762 C CB . CYS B 69 ? 0.5071 0.5065 0.3785 0.0539 -0.0462 -0.1134 69 CYS B CB 4763 S SG . CYS B 69 ? 0.5431 0.5692 0.4272 0.0566 -0.0441 -0.1112 69 CYS B SG 4764 N N . TYR B 70 ? 0.5518 0.4995 0.3850 0.0647 -0.0563 -0.1252 70 TYR B N 4765 C CA . TYR B 70 ? 0.5780 0.4960 0.3913 0.0689 -0.0603 -0.1271 70 TYR B CA 4766 C C . TYR B 70 ? 0.6326 0.5416 0.4428 0.0668 -0.0590 -0.1206 70 TYR B C 4767 O O . TYR B 70 ? 0.5920 0.5216 0.4135 0.0717 -0.0570 -0.1153 70 TYR B O 4768 C CB . TYR B 70 ? 0.5881 0.5051 0.3916 0.0864 -0.0649 -0.1313 70 TYR B CB 4769 C CG . TYR B 70 ? 0.6317 0.5120 0.4113 0.0882 -0.0702 -0.1370 70 TYR B CG 4770 C CD1 . TYR B 70 ? 0.6704 0.5237 0.4329 0.0915 -0.0731 -0.1347 70 TYR B CD1 4771 C CD2 . TYR B 70 ? 0.6629 0.5322 0.4349 0.0851 -0.0726 -0.1447 70 TYR B CD2 4772 C CE1 . TYR B 70 ? 0.7281 0.5411 0.4644 0.0917 -0.0780 -0.1394 70 TYR B CE1 4773 C CE2 . TYR B 70 ? 0.7158 0.5465 0.4632 0.0842 -0.0772 -0.1501 70 TYR B CE2 4774 C CZ . TYR B 70 ? 0.7815 0.5825 0.5101 0.0873 -0.0797 -0.1470 70 TYR B CZ 4775 O OH . TYR B 70 ? 0.8218 0.5792 0.5218 0.0865 -0.0844 -0.1514 70 TYR B OH 4776 N N . GLN B 71 ? 0.6217 0.5002 0.4166 0.0571 -0.0596 -0.1211 71 GLN B N 4777 C CA . GLN B 71 ? 0.6291 0.4948 0.4178 0.0529 -0.0583 -0.1151 71 GLN B CA 4778 C C . GLN B 71 ? 0.7242 0.5471 0.4856 0.0476 -0.0610 -0.1166 71 GLN B C 4779 O O . GLN B 71 ? 0.7289 0.5319 0.4786 0.0408 -0.0620 -0.1223 71 GLN B O 4780 C CB . GLN B 71 ? 0.6206 0.5034 0.4267 0.0378 -0.0516 -0.1114 71 GLN B CB 4781 C CG . GLN B 71 ? 0.5594 0.4359 0.3671 0.0207 -0.0482 -0.1162 71 GLN B CG 4782 C CD . GLN B 71 ? 0.6724 0.5743 0.5014 0.0107 -0.0423 -0.1143 71 GLN B CD 4783 O OE1 . GLN B 71 ? 0.6216 0.5166 0.4499 -0.0024 -0.0379 -0.1130 71 GLN B OE1 4784 N NE2 . GLN B 71 ? 0.5519 0.4829 0.3987 0.0173 -0.0421 -0.1142 71 GLN B NE2 4785 N N . TYR B 72 ? 0.7307 0.5389 0.4811 0.0493 -0.0619 -0.1112 72 TYR B N 4786 C CA . TYR B 72 ? 0.7752 0.5402 0.4967 0.0432 -0.0638 -0.1103 72 TYR B CA 4787 C C . TYR B 72 ? 0.8118 0.5702 0.5354 0.0191 -0.0563 -0.1109 72 TYR B C 4788 O O . TYR B 72 ? 0.7766 0.5635 0.5230 0.0103 -0.0503 -0.1089 72 TYR B O 4789 C CB . TYR B 72 ? 0.8104 0.5699 0.5243 0.0511 -0.0662 -0.1037 72 TYR B CB 4790 C CG . TYR B 72 ? 0.8881 0.6017 0.5702 0.0435 -0.0674 -0.1011 72 TYR B CG 4791 C CD1 . TYR B 72 ? 0.9526 0.6254 0.6025 0.0535 -0.0750 -0.1034 72 TYR B CD1 4792 C CD2 . TYR B 72 ? 0.9033 0.6122 0.5850 0.0263 -0.0609 -0.0965 72 TYR B CD2 4793 C CE1 . TYR B 72 ? 1.0130 0.6386 0.6290 0.0459 -0.0760 -0.1004 72 TYR B CE1 4794 C CE2 . TYR B 72 ? 0.9587 0.6236 0.6082 0.0178 -0.0611 -0.0938 72 TYR B CE2 4795 C CZ . TYR B 72 ? 1.1083 0.7303 0.7240 0.0274 -0.0688 -0.0953 72 TYR B CZ 4796 O OH . TYR B 72 ? 1.2162 0.7898 0.7957 0.0186 -0.0690 -0.0920 72 TYR B OH 4797 N N . VAL B 73 ? 0.8095 0.5310 0.5091 0.0087 -0.0566 -0.1145 73 VAL B N 4798 C CA . VAL B 73 ? 0.8282 0.5407 0.5263 -0.0157 -0.0493 -0.1169 73 VAL B CA 4799 C C . VAL B 73 ? 0.9371 0.6088 0.6053 -0.0246 -0.0479 -0.1120 73 VAL B C 4800 O O . VAL B 73 ? 0.9561 0.5880 0.5931 -0.0164 -0.0541 -0.1112 73 VAL B O 4801 C CB . VAL B 73 ? 0.8987 0.6020 0.5924 -0.0239 -0.0499 -0.1260 73 VAL B CB 4802 C CG1 . VAL B 73 ? 0.9176 0.6097 0.6071 -0.0509 -0.0421 -0.1298 73 VAL B CG1 4803 C CG2 . VAL B 73 ? 0.8614 0.6060 0.5839 -0.0154 -0.0512 -0.1306 73 VAL B CG2 4804 N N . ASP B 74 ? 0.9186 0.5997 0.5950 -0.0401 -0.0401 -0.1087 74 ASP B N 4805 C CA . ASP B 74 ? 0.9641 0.6089 0.6124 -0.0504 -0.0375 -0.1036 74 ASP B CA 4806 C C . ASP B 74 ? 1.0996 0.6999 0.7167 -0.0668 -0.0356 -0.1074 74 ASP B C 4807 O O . ASP B 74 ? 1.0836 0.6921 0.7100 -0.0844 -0.0299 -0.1144 74 ASP B O 4808 C CB . ASP B 74 ? 0.9732 0.6411 0.6384 -0.0635 -0.0287 -0.1002 74 ASP B CB 4809 C CG . ASP B 74 ? 1.1567 0.7875 0.7912 -0.0719 -0.0264 -0.0941 74 ASP B CG 4810 O OD1 . ASP B 74 ? 1.2121 0.8114 0.8236 -0.0913 -0.0210 -0.0961 74 ASP B OD1 4811 O OD2 . ASP B 74 ? 1.2213 0.8534 0.8528 -0.0595 -0.0300 -0.0875 74 ASP B OD2 4812 N N . THR B 75 ? 1.1551 0.7073 0.7337 -0.0606 -0.0409 -0.1030 75 THR B N 4813 C CA . THR B 75 ? 1.2316 0.7280 0.7693 -0.0743 -0.0404 -0.1046 75 THR B CA 4814 C C . THR B 75 ? 1.3587 0.8191 0.8658 -0.0871 -0.0358 -0.0974 75 THR B C 4815 O O . THR B 75 ? 1.4191 0.8307 0.8895 -0.1028 -0.0333 -0.0978 75 THR B O 4816 C CB . THR B 75 ? 1.3520 0.8149 0.8641 -0.0540 -0.0521 -0.1065 75 THR B CB 4817 O OG1 . THR B 75 ? 1.3894 0.8557 0.8990 -0.0273 -0.0610 -0.1008 75 THR B OG1 4818 C CG2 . THR B 75 ? 1.2284 0.7162 0.7623 -0.0495 -0.0544 -0.1155 75 THR B CG2 4819 N N . LEU B 76 ? 1.3157 0.7995 0.8367 -0.0818 -0.0341 -0.0911 76 LEU B N 4820 C CA . LEU B 76 ? 1.3502 0.8077 0.8463 -0.0916 -0.0299 -0.0838 76 LEU B CA 4821 C C . LEU B 76 ? 1.4363 0.8648 0.9106 -0.1238 -0.0181 -0.0857 76 LEU B C 4822 O O . LEU B 76 ? 1.4932 0.8680 0.9228 -0.1303 -0.0183 -0.0808 76 LEU B O 4823 C CB . LEU B 76 ? 1.3085 0.8127 0.8373 -0.0866 -0.0269 -0.0800 76 LEU B CB 4824 C CG . LEU B 76 ? 1.3947 0.8806 0.9028 -0.0897 -0.0248 -0.0720 76 LEU B CG 4825 C CD1 . LEU B 76 ? 1.4326 0.8819 0.9074 -0.0669 -0.0376 -0.0660 76 LEU B CD1 4826 C CD2 . LEU B 76 ? 1.3744 0.9119 0.9205 -0.0884 -0.0203 -0.0707 76 LEU B CD2 4827 N N . TYR B 77 ? 1.3475 0.8108 0.8518 -0.1436 -0.0083 -0.0935 77 TYR B N 4828 C CA . TYR B 77 ? 1.3487 0.7960 0.8402 -0.1763 0.0042 -0.0979 77 TYR B CA 4829 C C . TYR B 77 ? 1.3501 0.8209 0.8647 -0.1886 0.0073 -0.1095 77 TYR B C 4830 O O . TYR B 77 ? 1.2977 0.8210 0.8531 -0.1957 0.0134 -0.1155 77 TYR B O 4831 C CB . TYR B 77 ? 1.3279 0.8022 0.8352 -0.1918 0.0159 -0.0960 77 TYR B CB 4832 C CG . TYR B 77 ? 1.3577 0.8069 0.8393 -0.1840 0.0141 -0.0855 77 TYR B CG 4833 C CD1 . TYR B 77 ? 1.4434 0.8323 0.8737 -0.1960 0.0163 -0.0801 77 TYR B CD1 4834 C CD2 . TYR B 77 ? 1.3179 0.8035 0.8255 -0.1664 0.0108 -0.0812 77 TYR B CD2 4835 C CE1 . TYR B 77 ? 1.4662 0.8324 0.8717 -0.1888 0.0143 -0.0706 77 TYR B CE1 4836 C CE2 . TYR B 77 ? 1.3436 0.8084 0.8284 -0.1599 0.0089 -0.0724 77 TYR B CE2 4837 C CZ . TYR B 77 ? 1.4986 0.9043 0.9325 -0.1703 0.0102 -0.0671 77 TYR B CZ 4838 O OH . TYR B 77 ? 1.5064 0.8915 0.9164 -0.1637 0.0079 -0.0586 77 TYR B OH 4839 N N . PRO B 78 ? 1.3476 0.7792 0.8355 -0.1909 0.0025 -0.1132 78 PRO B N 4840 C CA . PRO B 78 ? 1.3248 0.7785 0.8337 -0.2019 0.0043 -0.1249 78 PRO B CA 4841 C C . PRO B 78 ? 1.3363 0.8070 0.8565 -0.2364 0.0184 -0.1333 78 PRO B C 4842 O O . PRO B 78 ? 1.3893 0.8221 0.8772 -0.2596 0.0268 -0.1317 78 PRO B O 4843 C CB . PRO B 78 ? 1.4046 0.8016 0.8733 -0.1965 -0.0044 -0.1261 78 PRO B CB 4844 C CG . PRO B 78 ? 1.4963 0.8535 0.9322 -0.1738 -0.0134 -0.1152 78 PRO B CG 4845 C CD . PRO B 78 ? 1.4375 0.8022 0.8738 -0.1811 -0.0060 -0.1075 78 PRO B CD 4846 N N . GLY B 79 ? 1.2021 0.7306 0.7675 -0.2393 0.0210 -0.1426 79 GLY B N 4847 C CA . GLY B 79 ? 1.1751 0.7332 0.7603 -0.2688 0.0334 -0.1530 79 GLY B CA 4848 C C . GLY B 79 ? 1.1467 0.7461 0.7585 -0.2748 0.0428 -0.1517 79 GLY B C 4849 O O . GLY B 79 ? 1.1292 0.7684 0.7683 -0.2934 0.0519 -0.1618 79 GLY B O 4850 N N . PHE B 80 ? 1.0410 0.6331 0.6458 -0.2579 0.0402 -0.1401 80 PHE B N 4851 C CA . PHE B 80 ? 0.9793 0.6024 0.6029 -0.2608 0.0481 -0.1372 80 PHE B CA 4852 C C . PHE B 80 ? 0.9686 0.6539 0.6411 -0.2439 0.0451 -0.1405 80 PHE B C 4853 O O . PHE B 80 ? 0.9368 0.6297 0.6187 -0.2178 0.0345 -0.1356 80 PHE B O 4854 C CB . PHE B 80 ? 1.0041 0.5879 0.5950 -0.2505 0.0457 -0.1237 80 PHE B CB 4855 C CG . PHE B 80 ? 0.9816 0.5891 0.5850 -0.2514 0.0526 -0.1193 80 PHE B CG 4856 C CD1 . PHE B 80 ? 0.9989 0.6176 0.6044 -0.2781 0.0672 -0.1243 80 PHE B CD1 4857 C CD2 . PHE B 80 ? 0.9520 0.5689 0.5629 -0.2263 0.0448 -0.1107 80 PHE B CD2 4858 C CE1 . PHE B 80 ? 0.9707 0.6099 0.5860 -0.2780 0.0735 -0.1207 80 PHE B CE1 4859 C CE2 . PHE B 80 ? 0.9469 0.5822 0.5667 -0.2275 0.0508 -0.1069 80 PHE B CE2 4860 C CZ . PHE B 80 ? 0.9228 0.5687 0.5445 -0.2526 0.0649 -0.1119 80 PHE B CZ 4861 N N . GLU B 81 ? 0.9262 0.6553 0.6284 -0.2586 0.0548 -0.1492 81 GLU B N 4862 C CA . GLU B 81 ? 0.8878 0.6750 0.6346 -0.2446 0.0529 -0.1535 81 GLU B CA 4863 C C . GLU B 81 ? 0.9093 0.7022 0.6612 -0.2213 0.0478 -0.1424 81 GLU B C 4864 O O . GLU B 81 ? 0.8944 0.7154 0.6707 -0.2007 0.0401 -0.1419 81 GLU B O 4865 C CB . GLU B 81 ? 0.9057 0.7332 0.6773 -0.2656 0.0652 -0.1647 81 GLU B CB 4866 C CG . GLU B 81 ? 1.0996 0.9863 0.9161 -0.2519 0.0625 -0.1718 81 GLU B CG 4867 C CD . GLU B 81 ? 1.5272 1.4386 1.3650 -0.2465 0.0552 -0.1817 81 GLU B CD 4868 O OE1 . GLU B 81 ? 1.6829 1.5973 1.5207 -0.2673 0.0598 -0.1927 81 GLU B OE1 4869 O OE2 . GLU B 81 ? 1.3874 1.3163 1.2419 -0.2225 0.0453 -0.1789 81 GLU B OE2 4870 N N . GLY B 82 ? 0.8561 0.6205 0.5830 -0.2250 0.0518 -0.1336 82 GLY B N 4871 C CA . GLY B 82 ? 0.8272 0.5941 0.5556 -0.2058 0.0474 -0.1236 82 GLY B CA 4872 C C . GLY B 82 ? 0.8421 0.6050 0.5722 -0.1790 0.0341 -0.1174 82 GLY B C 4873 O O . GLY B 82 ? 0.7936 0.5820 0.5438 -0.1622 0.0301 -0.1138 82 GLY B O 4874 N N . THR B 83 ? 0.8240 0.5543 0.5320 -0.1753 0.0274 -0.1166 83 THR B N 4875 C CA . THR B 83 ? 0.8032 0.5307 0.5123 -0.1504 0.0152 -0.1124 83 THR B CA 4876 C C . THR B 83 ? 0.8089 0.5646 0.5429 -0.1454 0.0114 -0.1208 83 THR B C 4877 O O . THR B 83 ? 0.7814 0.5617 0.5352 -0.1262 0.0048 -0.1193 83 THR B O 4878 C CB . THR B 83 ? 0.8876 0.5611 0.5556 -0.1453 0.0087 -0.1069 83 THR B CB 4879 O OG1 . THR B 83 ? 0.9288 0.5733 0.5753 -0.1658 0.0133 -0.1125 83 THR B OG1 4880 C CG2 . THR B 83 ? 0.8486 0.4951 0.4915 -0.1416 0.0083 -0.0973 83 THR B CG2 4881 N N . GLU B 84 ? 0.7743 0.5271 0.5068 -0.1637 0.0158 -0.1298 84 GLU B N 4882 C CA . GLU B 84 ? 0.7641 0.5379 0.5148 -0.1602 0.0113 -0.1385 84 GLU B CA 4883 C C . GLU B 84 ? 0.7887 0.6166 0.5798 -0.1534 0.0116 -0.1435 84 GLU B C 4884 O O . GLU B 84 ? 0.7744 0.6195 0.5795 -0.1411 0.0048 -0.1472 84 GLU B O 4885 C CB . GLU B 84 ? 0.8086 0.5631 0.5450 -0.1830 0.0156 -0.1476 84 GLU B CB 4886 C CG . GLU B 84 ? 1.0379 0.7433 0.7395 -0.1763 0.0080 -0.1443 84 GLU B CG 4887 C CD . GLU B 84 ? 1.3489 1.0121 1.0189 -0.1987 0.0118 -0.1491 84 GLU B CD 4888 O OE1 . GLU B 84 ? 1.3635 1.0427 1.0442 -0.2223 0.0200 -0.1588 84 GLU B OE1 4889 O OE2 . GLU B 84 ? 1.2264 0.8404 0.8605 -0.1919 0.0060 -0.1439 84 GLU B OE2 4890 N N . MET B 85 ? 0.7247 0.5775 0.5323 -0.1592 0.0188 -0.1433 85 MET B N 4891 C CA A MET B 85 ? 0.6802 0.5812 0.5233 -0.1512 0.0186 -0.1478 85 MET B CA 4892 C CA B MET B 85 ? 0.6750 0.5760 0.5182 -0.1510 0.0185 -0.1479 85 MET B CA 4893 C C . MET B 85 ? 0.6994 0.6102 0.5513 -0.1258 0.0102 -0.1401 85 MET B C 4894 O O . MET B 85 ? 0.6642 0.6089 0.5410 -0.1160 0.0077 -0.1432 85 MET B O 4895 C CB A MET B 85 ? 0.6991 0.6211 0.5548 -0.1632 0.0284 -0.1502 85 MET B CB 4896 C CB B MET B 85 ? 0.6896 0.6128 0.5462 -0.1634 0.0284 -0.1507 85 MET B CB 4897 C CG A MET B 85 ? 0.7408 0.6481 0.5847 -0.1577 0.0304 -0.1393 85 MET B CG 4898 C CG B MET B 85 ? 0.7183 0.6343 0.5689 -0.1553 0.0298 -0.1403 85 MET B CG 4899 S SD A MET B 85 ? 0.7578 0.7059 0.6296 -0.1554 0.0362 -0.1414 85 MET B SD 4900 S SD B MET B 85 ? 0.7473 0.6932 0.6157 -0.1677 0.0411 -0.1454 85 MET B SD 4901 C CE A MET B 85 ? 0.6801 0.6579 0.5770 -0.1328 0.0265 -0.1421 85 MET B CE 4902 C CE B MET B 85 ? 0.7423 0.6516 0.5791 -0.1937 0.0513 -0.1450 85 MET B CE 4903 N N . TRP B 86 ? 0.6679 0.5489 0.4982 -0.1155 0.0058 -0.1304 86 TRP B N 4904 C CA . TRP B 86 ? 0.6344 0.5231 0.4705 -0.0937 -0.0013 -0.1232 86 TRP B CA 4905 C C . TRP B 86 ? 0.6746 0.5520 0.5026 -0.0812 -0.0096 -0.1238 86 TRP B C 4906 O O . TRP B 86 ? 0.6453 0.5357 0.4818 -0.0640 -0.0150 -0.1200 86 TRP B O 4907 C CB . TRP B 86 ? 0.6179 0.4885 0.4393 -0.0891 -0.0010 -0.1134 86 TRP B CB 4908 C CG . TRP B 86 ? 0.6172 0.4949 0.4426 -0.1014 0.0074 -0.1129 86 TRP B CG 4909 C CD1 . TRP B 86 ? 0.6783 0.5309 0.4831 -0.1169 0.0135 -0.1119 86 TRP B CD1 4910 C CD2 . TRP B 86 ? 0.5826 0.4939 0.4328 -0.0995 0.0108 -0.1141 86 TRP B CD2 4911 N NE1 . TRP B 86 ? 0.6680 0.5387 0.4843 -0.1246 0.0209 -0.1124 86 TRP B NE1 4912 C CE2 . TRP B 86 ? 0.6488 0.5551 0.4930 -0.1133 0.0189 -0.1139 86 TRP B CE2 4913 C CE3 . TRP B 86 ? 0.5655 0.5081 0.4399 -0.0870 0.0076 -0.1152 86 TRP B CE3 4914 C CZ2 . TRP B 86 ? 0.6152 0.5480 0.4781 -0.1139 0.0237 -0.1153 86 TRP B CZ2 4915 C CZ3 . TRP B 86 ? 0.5656 0.5313 0.4565 -0.0876 0.0118 -0.1161 86 TRP B CZ3 4916 C CH2 . TRP B 86 ? 0.5791 0.5405 0.4650 -0.1003 0.0196 -0.1165 86 TRP B CH2 4917 N N . ASN B 87 ? 0.6644 0.5168 0.4747 -0.0905 -0.0103 -0.1288 87 ASN B N 4918 C CA . ASN B 87 ? 0.6749 0.5126 0.4742 -0.0798 -0.0179 -0.1306 87 ASN B CA 4919 C C . ASN B 87 ? 0.7204 0.5899 0.5423 -0.0734 -0.0212 -0.1375 87 ASN B C 4920 O O . ASN B 87 ? 0.6879 0.5854 0.5306 -0.0823 -0.0174 -0.1435 87 ASN B O 4921 C CB . ASN B 87 ? 0.7055 0.5021 0.4754 -0.0929 -0.0176 -0.1341 87 ASN B CB 4922 C CG . ASN B 87 ? 0.9693 0.7249 0.7081 -0.0892 -0.0192 -0.1258 87 ASN B CG 4923 O OD1 . ASN B 87 ? 0.8485 0.6064 0.5871 -0.0729 -0.0230 -0.1182 87 ASN B OD1 4924 N ND2 . ASN B 87 ? 0.8837 0.6002 0.5940 -0.1043 -0.0168 -0.1274 87 ASN B ND2 4925 N N . PRO B 88 ? 0.6962 0.5628 0.5140 -0.0572 -0.0286 -0.1373 88 PRO B N 4926 C CA . PRO B 88 ? 0.6724 0.5671 0.5086 -0.0508 -0.0321 -0.1437 88 PRO B CA 4927 C C . PRO B 88 ? 0.7122 0.6124 0.5535 -0.0676 -0.0302 -0.1550 88 PRO B C 4928 O O . PRO B 88 ? 0.7207 0.5922 0.5429 -0.0812 -0.0287 -0.1588 88 PRO B O 4929 C CB . PRO B 88 ? 0.7067 0.5860 0.5286 -0.0344 -0.0394 -0.1427 88 PRO B CB 4930 C CG . PRO B 88 ? 0.7676 0.6266 0.5744 -0.0260 -0.0400 -0.1336 88 PRO B CG 4931 C CD . PRO B 88 ? 0.7316 0.5702 0.5272 -0.0431 -0.0343 -0.1320 88 PRO B CD 4932 N N . ASN B 89 ? 0.6460 0.5824 0.5118 -0.0671 -0.0303 -0.1606 89 ASN B N 4933 C CA . ASN B 89 ? 0.6565 0.6066 0.5319 -0.0818 -0.0293 -0.1730 89 ASN B CA 4934 C C . ASN B 89 ? 0.7002 0.6659 0.5826 -0.0711 -0.0370 -0.1798 89 ASN B C 4935 O O . ASN B 89 ? 0.7123 0.6973 0.6070 -0.0799 -0.0379 -0.1909 89 ASN B O 4936 C CB . ASN B 89 ? 0.6428 0.6229 0.5402 -0.0921 -0.0231 -0.1766 89 ASN B CB 4937 C CG . ASN B 89 ? 0.7271 0.7399 0.6459 -0.0762 -0.0256 -0.1739 89 ASN B CG 4938 O OD1 . ASN B 89 ? 0.6130 0.6237 0.5287 -0.0588 -0.0299 -0.1659 89 ASN B OD1 4939 N ND2 . ASN B 89 ? 0.5593 0.6030 0.4991 -0.0821 -0.0231 -0.1812 89 ASN B ND2 4940 N N . ARG B 90 ? 0.6366 0.5954 0.5112 -0.0522 -0.0425 -0.1737 90 ARG B N 4941 C CA . ARG B 90 ? 0.6423 0.6095 0.5175 -0.0408 -0.0496 -0.1789 90 ARG B CA 4942 C C . ARG B 90 ? 0.6920 0.6282 0.5439 -0.0300 -0.0530 -0.1741 90 ARG B C 4943 O O . ARG B 90 ? 0.6652 0.5795 0.5044 -0.0294 -0.0504 -0.1663 90 ARG B O 4944 C CB . ARG B 90 ? 0.6309 0.6316 0.5249 -0.0260 -0.0523 -0.1766 90 ARG B CB 4945 C CG . ARG B 90 ? 0.6690 0.7019 0.5858 -0.0328 -0.0510 -0.1831 90 ARG B CG 4946 C CD . ARG B 90 ? 0.6786 0.7228 0.6013 -0.0430 -0.0544 -0.1975 90 ARG B CD 4947 N NE . ARG B 90 ? 0.8077 0.8864 0.7535 -0.0474 -0.0540 -0.2051 90 ARG B NE 4948 C CZ . ARG B 90 ? 0.8895 0.9778 0.8459 -0.0637 -0.0476 -0.2099 90 ARG B CZ 4949 N NH1 . ARG B 90 ? 0.6805 0.7432 0.6243 -0.0784 -0.0405 -0.2065 90 ARG B NH1 4950 N NH2 . ARG B 90 ? 0.6135 0.7368 0.5921 -0.0644 -0.0483 -0.2179 90 ARG B NH2 4951 N N . GLU B 91 ? 0.6513 0.5849 0.4964 -0.0215 -0.0591 -0.1796 91 GLU B N 4952 C CA . GLU B 91 ? 0.6620 0.5687 0.4854 -0.0095 -0.0628 -0.1770 91 GLU B CA 4953 C C . GLU B 91 ? 0.6691 0.5822 0.4943 0.0071 -0.0621 -0.1661 91 GLU B C 4954 O O . GLU B 91 ? 0.6220 0.5638 0.4648 0.0130 -0.0607 -0.1620 91 GLU B O 4955 C CB . GLU B 91 ? 0.6863 0.5959 0.5052 -0.0015 -0.0693 -0.1855 91 GLU B CB 4956 C CG . GLU B 91 ? 0.9042 0.8003 0.7157 -0.0177 -0.0712 -0.1975 91 GLU B CG 4957 C CD . GLU B 91 ? 1.2379 1.0898 1.0232 -0.0280 -0.0702 -0.1985 91 GLU B CD 4958 O OE1 . GLU B 91 ? 1.2425 1.0682 1.0072 -0.0148 -0.0736 -0.1954 91 GLU B OE1 4959 O OE2 . GLU B 91 ? 1.2496 1.0930 1.0341 -0.0492 -0.0661 -0.2027 91 GLU B OE2 4960 N N . LEU B 92 ? 0.6486 0.5346 0.4546 0.0144 -0.0633 -0.1620 92 LEU B N 4961 C CA . LEU B 92 ? 0.6423 0.5342 0.4488 0.0299 -0.0631 -0.1532 92 LEU B CA 4962 C C . LEU B 92 ? 0.6826 0.5875 0.4890 0.0468 -0.0671 -0.1555 92 LEU B C 4963 O O . LEU B 92 ? 0.6972 0.5873 0.4901 0.0505 -0.0716 -0.1627 92 LEU B O 4964 C CB . LEU B 92 ? 0.6649 0.5230 0.4496 0.0328 -0.0643 -0.1497 92 LEU B CB 4965 C CG . LEU B 92 ? 0.7157 0.5574 0.4958 0.0183 -0.0599 -0.1453 92 LEU B CG 4966 C CD1 . LEU B 92 ? 0.7430 0.5519 0.4991 0.0263 -0.0628 -0.1412 92 LEU B CD1 4967 C CD2 . LEU B 92 ? 0.6899 0.5609 0.4922 0.0153 -0.0547 -0.1387 92 LEU B CD2 4968 N N . SER B 93 ? 0.6035 0.5349 0.4233 0.0563 -0.0651 -0.1496 93 SER B N 4969 C CA . SER B 93 ? 0.5951 0.5406 0.4141 0.0717 -0.0674 -0.1509 93 SER B CA 4970 C C . SER B 93 ? 0.6059 0.5727 0.4349 0.0800 -0.0638 -0.1425 93 SER B C 4971 O O . SER B 93 ? 0.5762 0.5540 0.4175 0.0728 -0.0598 -0.1365 93 SER B O 4972 C CB . SER B 93 ? 0.6047 0.5668 0.4308 0.0700 -0.0693 -0.1568 93 SER B CB 4973 O OG . SER B 93 ? 0.6288 0.6045 0.4524 0.0843 -0.0707 -0.1576 93 SER B OG 4974 N N . GLU B 94 ? 0.5745 0.5488 0.3985 0.0947 -0.0647 -0.1429 94 GLU B N 4975 C CA . GLU B 94 ? 0.5422 0.5407 0.3759 0.1015 -0.0605 -0.1361 94 GLU B CA 4976 C C . GLU B 94 ? 0.5599 0.5802 0.4035 0.0992 -0.0581 -0.1345 94 GLU B C 4977 O O . GLU B 94 ? 0.5418 0.5794 0.3942 0.0989 -0.0537 -0.1277 94 GLU B O 4978 C CB . GLU B 94 ? 0.5703 0.5723 0.3958 0.1172 -0.0618 -0.1386 94 GLU B CB 4979 C CG . GLU B 94 ? 0.6154 0.6024 0.4342 0.1218 -0.0637 -0.1375 94 GLU B CG 4980 C CD . GLU B 94 ? 0.7374 0.7332 0.5504 0.1391 -0.0652 -0.1411 94 GLU B CD 4981 O OE1 . GLU B 94 ? 0.5548 0.5773 0.3786 0.1435 -0.0609 -0.1375 94 GLU B OE1 4982 O OE2 . GLU B 94 ? 0.6283 0.6048 0.4257 0.1481 -0.0705 -0.1484 94 GLU B OE2 4983 N N . ASP B 95 ? 0.5111 0.5284 0.3516 0.0971 -0.0616 -0.1409 95 ASP B N 4984 C CA . ASP B 95 ? 0.4871 0.5213 0.3342 0.0957 -0.0613 -0.1405 95 ASP B CA 4985 C C . ASP B 95 ? 0.5380 0.5717 0.3965 0.0827 -0.0606 -0.1389 95 ASP B C 4986 O O . ASP B 95 ? 0.5241 0.5509 0.3834 0.0752 -0.0639 -0.1458 95 ASP B O 4987 C CB . ASP B 95 ? 0.5095 0.5416 0.3478 0.1004 -0.0665 -0.1494 95 ASP B CB 4988 C CG . ASP B 95 ? 0.5580 0.6057 0.4004 0.1005 -0.0679 -0.1498 95 ASP B CG 4989 O OD1 . ASP B 95 ? 0.5331 0.5916 0.3847 0.0970 -0.0650 -0.1432 95 ASP B OD1 4990 O OD2 . ASP B 95 ? 0.5658 0.6136 0.4008 0.1048 -0.0725 -0.1570 95 ASP B OD2 4991 N N . CYS B 96 ? 0.4765 0.5183 0.3437 0.0796 -0.0559 -0.1306 96 CYS B N 4992 C CA . CYS B 96 ? 0.4743 0.5155 0.3519 0.0683 -0.0544 -0.1289 96 CYS B CA 4993 C C . CYS B 96 ? 0.5094 0.5655 0.3960 0.0678 -0.0511 -0.1220 96 CYS B C 4994 O O . CYS B 96 ? 0.5089 0.5656 0.4041 0.0598 -0.0493 -0.1204 96 CYS B O 4995 C CB . CYS B 96 ? 0.4928 0.5184 0.3679 0.0631 -0.0524 -0.1265 96 CYS B CB 4996 S SG . CYS B 96 ? 0.5441 0.5756 0.4194 0.0697 -0.0483 -0.1174 96 CYS B SG 4997 N N . LEU B 97 ? 0.4619 0.5281 0.3446 0.0758 -0.0498 -0.1178 97 LEU B N 4998 C CA . LEU B 97 ? 0.4532 0.5281 0.3402 0.0748 -0.0464 -0.1104 97 LEU B CA 4999 C C . LEU B 97 ? 0.5129 0.5937 0.4022 0.0756 -0.0500 -0.1131 97 LEU B C 5000 O O . LEU B 97 ? 0.5049 0.5907 0.3866 0.0826 -0.0515 -0.1121 97 LEU B O 5001 C CB . LEU B 97 ? 0.4452 0.5269 0.3257 0.0805 -0.0421 -0.1041 97 LEU B CB 5002 C CG . LEU B 97 ? 0.4847 0.5654 0.3665 0.0800 -0.0386 -0.1015 97 LEU B CG 5003 C CD1 . LEU B 97 ? 0.4757 0.5683 0.3543 0.0830 -0.0333 -0.0960 97 LEU B CD1 5004 C CD2 . LEU B 97 ? 0.4644 0.5384 0.3545 0.0713 -0.0372 -0.0987 97 LEU B CD2 5005 N N . TYR B 98 ? 0.4713 0.5517 0.3706 0.0686 -0.0514 -0.1170 98 TYR B N 5006 C CA . TYR B 98 ? 0.4424 0.5312 0.3474 0.0693 -0.0556 -0.1216 98 TYR B CA 5007 C C . TYR B 98 ? 0.5087 0.5995 0.4237 0.0635 -0.0528 -0.1188 98 TYR B C 5008 O O . TYR B 98 ? 0.4604 0.5450 0.3793 0.0560 -0.0483 -0.1158 98 TYR B O 5009 C CB . TYR B 98 ? 0.4500 0.5408 0.3587 0.0661 -0.0608 -0.1331 98 TYR B CB 5010 C CG . TYR B 98 ? 0.4985 0.5852 0.3959 0.0721 -0.0639 -0.1368 98 TYR B CG 5011 C CD1 . TYR B 98 ? 0.5194 0.5936 0.4107 0.0700 -0.0621 -0.1373 98 TYR B CD1 5012 C CD2 . TYR B 98 ? 0.5151 0.6093 0.4060 0.0811 -0.0692 -0.1401 98 TYR B CD2 5013 C CE1 . TYR B 98 ? 0.5160 0.5861 0.3959 0.0770 -0.0650 -0.1412 98 TYR B CE1 5014 C CE2 . TYR B 98 ? 0.5426 0.6331 0.4220 0.0870 -0.0717 -0.1437 98 TYR B CE2 5015 C CZ . TYR B 98 ? 0.6081 0.6869 0.4825 0.0850 -0.0694 -0.1445 98 TYR B CZ 5016 O OH . TYR B 98 ? 0.6158 0.6905 0.4782 0.0920 -0.0720 -0.1489 98 TYR B OH 5017 N N . LEU B 99 ? 0.4858 0.5847 0.4038 0.0680 -0.0560 -0.1202 99 LEU B N 5018 C CA . LEU B 99 ? 0.4632 0.5649 0.3904 0.0642 -0.0540 -0.1191 99 LEU B CA 5019 C C . LEU B 99 ? 0.5201 0.6359 0.4579 0.0655 -0.0595 -0.1296 99 LEU B C 5020 O O . LEU B 99 ? 0.4954 0.6186 0.4319 0.0705 -0.0656 -0.1366 99 LEU B O 5021 C CB . LEU B 99 ? 0.4579 0.5536 0.3772 0.0688 -0.0513 -0.1091 99 LEU B CB 5022 C CG . LEU B 99 ? 0.5051 0.5995 0.4110 0.0801 -0.0554 -0.1063 99 LEU B CG 5023 C CD1 . LEU B 99 ? 0.5000 0.6026 0.4101 0.0876 -0.0623 -0.1128 99 LEU B CD1 5024 C CD2 . LEU B 99 ? 0.4817 0.5646 0.3755 0.0802 -0.0502 -0.0948 99 LEU B CD2 5025 N N . ASN B 100 ? 0.4843 0.6057 0.4333 0.0609 -0.0574 -0.1315 100 ASN B N 5026 C CA . ASN B 100 ? 0.4809 0.6203 0.4437 0.0609 -0.0616 -0.1430 100 ASN B CA 5027 C C . ASN B 100 ? 0.4983 0.6421 0.4635 0.0686 -0.0627 -0.1414 100 ASN B C 5028 O O . ASN B 100 ? 0.4742 0.6069 0.4356 0.0665 -0.0574 -0.1330 100 ASN B O 5029 C CB . ASN B 100 ? 0.4669 0.6105 0.4420 0.0456 -0.0567 -0.1494 100 ASN B CB 5030 C CG . ASN B 100 ? 0.5321 0.6634 0.5006 0.0375 -0.0547 -0.1491 100 ASN B CG 5031 O OD1 . ASN B 100 ? 0.5093 0.6429 0.4747 0.0393 -0.0594 -0.1549 100 ASN B OD1 5032 N ND2 . ASN B 100 ? 0.4330 0.5492 0.3970 0.0299 -0.0484 -0.1421 100 ASN B ND2 5033 N N . VAL B 101 ? 0.4641 0.6239 0.4350 0.0779 -0.0701 -0.1502 101 VAL B N 5034 C CA . VAL B 101 ? 0.4556 0.6193 0.4275 0.0881 -0.0728 -0.1504 101 VAL B CA 5035 C C . VAL B 101 ? 0.4841 0.6751 0.4767 0.0875 -0.0761 -0.1655 101 VAL B C 5036 O O . VAL B 101 ? 0.4625 0.6701 0.4619 0.0889 -0.0821 -0.1757 101 VAL B O 5037 C CB . VAL B 101 ? 0.5217 0.6756 0.4749 0.1053 -0.0803 -0.1453 101 VAL B CB 5038 C CG1 . VAL B 101 ? 0.5252 0.6772 0.4755 0.1168 -0.0835 -0.1449 101 VAL B CG1 5039 C CG2 . VAL B 101 ? 0.5161 0.6467 0.4492 0.1042 -0.0762 -0.1316 101 VAL B CG2 5040 N N . TRP B 102 ? 0.4474 0.6446 0.4497 0.0857 -0.0724 -0.1677 102 TRP B N 5041 C CA . TRP B 102 ? 0.4412 0.6677 0.4638 0.0871 -0.0752 -0.1827 102 TRP B CA 5042 C C . TRP B 102 ? 0.5074 0.7325 0.5248 0.1048 -0.0803 -0.1818 102 TRP B C 5043 O O . TRP B 102 ? 0.5031 0.7056 0.5077 0.1065 -0.0763 -0.1706 102 TRP B O 5044 C CB . TRP B 102 ? 0.4167 0.6524 0.4547 0.0695 -0.0653 -0.1872 102 TRP B CB 5045 C CG . TRP B 102 ? 0.4270 0.6641 0.4698 0.0515 -0.0606 -0.1904 102 TRP B CG 5046 C CD1 . TRP B 102 ? 0.4583 0.7198 0.5170 0.0422 -0.0614 -0.2047 102 TRP B CD1 5047 C CD2 . TRP B 102 ? 0.4223 0.6342 0.4530 0.0397 -0.0539 -0.1796 102 TRP B CD2 5048 N NE1 . TRP B 102 ? 0.4468 0.6957 0.5017 0.0247 -0.0552 -0.2028 102 TRP B NE1 5049 C CE2 . TRP B 102 ? 0.4685 0.6869 0.5060 0.0243 -0.0512 -0.1876 102 TRP B CE2 5050 C CE3 . TRP B 102 ? 0.4320 0.6169 0.4464 0.0410 -0.0503 -0.1647 102 TRP B CE3 5051 C CZ2 . TRP B 102 ? 0.4664 0.6623 0.4930 0.0119 -0.0457 -0.1806 102 TRP B CZ2 5052 C CZ3 . TRP B 102 ? 0.4566 0.6241 0.4634 0.0291 -0.0450 -0.1587 102 TRP B CZ3 5053 C CH2 . TRP B 102 ? 0.4695 0.6409 0.4812 0.0158 -0.0431 -0.1663 102 TRP B CH2 5054 N N . THR B 103 ? 0.4844 0.7323 0.5101 0.1183 -0.0898 -0.1939 103 THR B N 5055 C CA . THR B 103 ? 0.5117 0.7584 0.5315 0.1379 -0.0964 -0.1951 103 THR B CA 5056 C C . THR B 103 ? 0.5608 0.8469 0.6051 0.1434 -0.1013 -0.2141 103 THR B C 5057 O O . THR B 103 ? 0.5346 0.8470 0.5958 0.1351 -0.1026 -0.2256 103 THR B O 5058 C CB . THR B 103 ? 0.6458 0.8745 0.6415 0.1572 -0.1073 -0.1889 103 THR B CB 5059 O OG1 . THR B 103 ? 0.7116 0.9665 0.7165 0.1662 -0.1179 -0.2022 103 THR B OG1 5060 C CG2 . THR B 103 ? 0.6542 0.8515 0.6277 0.1508 -0.1031 -0.1729 103 THR B CG2 5061 N N . PRO B 104 ? 0.5319 0.8232 0.5775 0.1587 -0.1051 -0.2187 104 PRO B N 5062 C CA . PRO B 104 ? 0.5222 0.8556 0.5917 0.1678 -0.1114 -0.2387 104 PRO B CA 5063 C C . PRO B 104 ? 0.5870 0.9390 0.6580 0.1805 -0.1248 -0.2481 104 PRO B C 5064 O O . PRO B 104 ? 0.5989 0.9257 0.6467 0.1892 -0.1311 -0.2379 104 PRO B O 5065 C CB . PRO B 104 ? 0.5517 0.8753 0.6117 0.1883 -0.1159 -0.2381 104 PRO B CB 5066 C CG . PRO B 104 ? 0.6028 0.8867 0.6439 0.1790 -0.1060 -0.2203 104 PRO B CG 5067 C CD . PRO B 104 ? 0.5495 0.8091 0.5746 0.1687 -0.1039 -0.2069 104 PRO B CD 5068 N N . TYR B 105 ? 0.5496 0.9470 0.6479 0.1810 -0.1289 -0.2680 105 TYR B N 5069 C CA . TYR B 105 ? 0.5646 0.9875 0.6687 0.1940 -0.1428 -0.2807 105 TYR B CA 5070 C C . TYR B 105 ? 0.6544 1.1098 0.7728 0.2166 -0.1527 -0.2972 105 TYR B C 5071 O O . TYR B 105 ? 0.6308 1.1200 0.7760 0.2083 -0.1464 -0.3105 105 TYR B O 5072 C CB . TYR B 105 ? 0.5599 1.0114 0.6856 0.1721 -0.1390 -0.2918 105 TYR B CB 5073 C CG . TYR B 105 ? 0.5909 1.0694 0.7229 0.1835 -0.1534 -0.3054 105 TYR B CG 5074 C CD1 . TYR B 105 ? 0.6211 1.1461 0.7763 0.1968 -0.1629 -0.3264 105 TYR B CD1 5075 C CD2 . TYR B 105 ? 0.6053 1.0656 0.7211 0.1805 -0.1574 -0.2988 105 TYR B CD2 5076 C CE1 . TYR B 105 ? 0.6386 1.1902 0.7998 0.2079 -0.1772 -0.3399 105 TYR B CE1 5077 C CE2 . TYR B 105 ? 0.6280 1.1130 0.7487 0.1907 -0.1710 -0.3118 105 TYR B CE2 5078 C CZ . TYR B 105 ? 0.7433 1.2739 0.8866 0.2043 -0.1813 -0.3324 105 TYR B CZ 5079 O OH . TYR B 105 ? 0.7581 1.3150 0.9065 0.2150 -0.1957 -0.3462 105 TYR B OH 5080 N N . PRO B 106 ? 0.6704 1.1156 0.7701 0.2456 -0.1679 -0.2968 106 PRO B N 5081 C CA . PRO B 106 ? 0.6998 1.1041 0.7642 0.2580 -0.1759 -0.2814 106 PRO B CA 5082 C C . PRO B 106 ? 0.7606 1.1123 0.7964 0.2533 -0.1667 -0.2589 106 PRO B C 5083 O O . PRO B 106 ? 0.7274 1.0743 0.7687 0.2478 -0.1577 -0.2566 106 PRO B O 5084 C CB . PRO B 106 ? 0.7464 1.1616 0.8030 0.2912 -0.1945 -0.2916 106 PRO B CB 5085 C CG . PRO B 106 ? 0.7906 1.2309 0.8673 0.2993 -0.1932 -0.3039 106 PRO B CG 5086 C CD . PRO B 106 ? 0.7022 1.1772 0.8140 0.2700 -0.1785 -0.3131 106 PRO B CD 5087 N N . ARG B 107 ? 0.7605 1.0749 0.7662 0.2551 -0.1686 -0.2432 107 ARG B N 5088 C CA . ARG B 107 ? 0.7683 1.0336 0.7452 0.2495 -0.1602 -0.2218 107 ARG B CA 5089 C C . ARG B 107 ? 0.8334 1.0776 0.7958 0.2649 -0.1620 -0.2178 107 ARG B C 5090 O O . ARG B 107 ? 0.8460 1.0986 0.8042 0.2892 -0.1750 -0.2271 107 ARG B O 5091 C CB . ARG B 107 ? 0.7889 1.0239 0.7344 0.2554 -0.1657 -0.2096 107 ARG B CB 5092 C CG . ARG B 107 ? 0.9444 1.1588 0.8832 0.2326 -0.1530 -0.1955 107 ARG B CG 5093 C CD . ARG B 107 ? 1.0543 1.2438 0.9638 0.2386 -0.1579 -0.1854 107 ARG B CD 5094 N NE . ARG B 107 ? 1.0543 1.2704 0.9746 0.2398 -0.1656 -0.1968 107 ARG B NE 5095 C CZ . ARG B 107 ? 1.2100 1.4143 1.1076 0.2510 -0.1744 -0.1939 107 ARG B CZ 5096 N NH1 . ARG B 107 ? 1.0603 1.2906 0.9695 0.2512 -0.1814 -0.2056 107 ARG B NH1 5097 N NH2 . ARG B 107 ? 1.0529 1.2182 0.9144 0.2611 -0.1758 -0.1792 107 ARG B NH2 5098 N N . PRO B 108 ? 0.7906 1.0069 0.7441 0.2528 -0.1500 -0.2050 108 PRO B N 5099 C CA . PRO B 108 ? 0.8164 1.0101 0.7541 0.2677 -0.1522 -0.2019 108 PRO B CA 5100 C C . PRO B 108 ? 0.9254 1.0865 0.8266 0.2930 -0.1655 -0.1959 108 PRO B C 5101 O O . PRO B 108 ? 0.9378 1.0724 0.8140 0.2915 -0.1668 -0.1838 108 PRO B O 5102 C CB . PRO B 108 ? 0.8207 0.9845 0.7494 0.2477 -0.1375 -0.1864 108 PRO B CB 5103 C CG . PRO B 108 ? 0.8380 1.0230 0.7900 0.2229 -0.1271 -0.1873 108 PRO B CG 5104 C CD . PRO B 108 ? 0.7821 0.9859 0.7386 0.2262 -0.1350 -0.1935 108 PRO B CD 5105 N N . ALA B 109 ? 0.9159 1.0786 0.8130 0.3164 -0.1752 -0.2048 109 ALA B N 5106 C CA . ALA B 109 ? 0.9624 1.0920 0.8227 0.3439 -0.1893 -0.2008 109 ALA B CA 5107 C C . ALA B 109 ? 1.0236 1.0931 0.8440 0.3393 -0.1830 -0.1801 109 ALA B C 5108 O O . ALA B 109 ? 1.0605 1.0924 0.8433 0.3498 -0.1897 -0.1694 109 ALA B O 5109 C CB . ALA B 109 ? 0.9868 1.1376 0.8570 0.3696 -0.2005 -0.2176 109 ALA B CB 5110 N N . SER B 110 ? 0.9387 0.9995 0.7668 0.3225 -0.1698 -0.1749 110 SER B N 5111 C CA . SER B 110 ? 0.9393 0.9478 0.7345 0.3141 -0.1621 -0.1568 110 SER B CA 5112 C C . SER B 110 ? 0.9076 0.9164 0.7147 0.2823 -0.1455 -0.1462 110 SER B C 5113 O O . SER B 110 ? 0.8480 0.8960 0.6909 0.2684 -0.1390 -0.1546 110 SER B O 5114 C CB . SER B 110 ? 0.9955 0.9890 0.7847 0.3250 -0.1628 -0.1603 110 SER B CB 5115 O OG . SER B 110 ? 1.0732 1.1075 0.9021 0.3153 -0.1554 -0.1725 110 SER B OG 5116 N N . PRO B 111 ? 0.8555 0.8218 0.6328 0.2706 -0.1384 -0.1285 111 PRO B N 5117 C CA . PRO B 111 ? 0.8124 0.7816 0.6019 0.2423 -0.1236 -0.1196 111 PRO B CA 5118 C C . PRO B 111 ? 0.8174 0.8087 0.6369 0.2288 -0.1142 -0.1256 111 PRO B C 5119 O O . PRO B 111 ? 0.8234 0.8021 0.6382 0.2342 -0.1137 -0.1272 111 PRO B O 5120 C CB . PRO B 111 ? 0.8615 0.7809 0.6123 0.2359 -0.1189 -0.1021 111 PRO B CB 5121 C CG . PRO B 111 ? 0.9590 0.8515 0.6754 0.2588 -0.1319 -0.1003 111 PRO B CG 5122 C CD . PRO B 111 ? 0.9113 0.8256 0.6418 0.2820 -0.1436 -0.1163 111 PRO B CD 5123 N N . THR B 112 ? 0.7295 0.7534 0.5785 0.2123 -0.1074 -0.1297 112 THR B N 5124 C CA . THR B 112 ? 0.6880 0.7367 0.5664 0.1979 -0.0983 -0.1362 112 THR B CA 5125 C C . THR B 112 ? 0.7037 0.7395 0.5815 0.1742 -0.0856 -0.1243 112 THR B C 5126 O O . THR B 112 ? 0.6766 0.7094 0.5500 0.1651 -0.0832 -0.1171 112 THR B O 5127 C CB . THR B 112 ? 0.7878 0.8818 0.6980 0.1966 -0.1007 -0.1506 112 THR B CB 5128 O OG1 . THR B 112 ? 0.8977 1.0063 0.8092 0.2196 -0.1132 -0.1626 112 THR B OG1 5129 C CG2 . THR B 112 ? 0.7183 0.8385 0.6572 0.1816 -0.0914 -0.1583 112 THR B CG2 5130 N N . PRO B 113 ? 0.6444 0.6768 0.5290 0.1643 -0.0777 -0.1235 113 PRO B N 5131 C CA . PRO B 113 ? 0.6146 0.6388 0.5008 0.1426 -0.0666 -0.1137 113 PRO B CA 5132 C C . PRO B 113 ? 0.6068 0.6562 0.5130 0.1297 -0.0628 -0.1159 113 PRO B C 5133 O O . PRO B 113 ? 0.5842 0.6635 0.5121 0.1312 -0.0648 -0.1277 113 PRO B O 5134 C CB . PRO B 113 ? 0.6254 0.6507 0.5203 0.1374 -0.0609 -0.1173 113 PRO B CB 5135 C CG . PRO B 113 ? 0.7092 0.7244 0.5928 0.1576 -0.0687 -0.1230 113 PRO B CG 5136 C CD . PRO B 113 ? 0.6615 0.6973 0.5516 0.1732 -0.0787 -0.1320 113 PRO B CD 5137 N N . VAL B 114 ? 0.5296 0.5664 0.4273 0.1175 -0.0576 -0.1052 114 VAL B N 5138 C CA . VAL B 114 ? 0.4972 0.5509 0.4082 0.1063 -0.0544 -0.1056 114 VAL B CA 5139 C C . VAL B 114 ? 0.5398 0.5962 0.4618 0.0889 -0.0450 -0.1031 114 VAL B C 5140 O O . VAL B 114 ? 0.5320 0.5698 0.4434 0.0826 -0.0402 -0.0948 114 VAL B O 5141 C CB . VAL B 114 ? 0.5329 0.5725 0.4259 0.1069 -0.0557 -0.0964 114 VAL B CB 5142 C CG1 . VAL B 114 ? 0.5044 0.5589 0.4092 0.0964 -0.0525 -0.0970 114 VAL B CG1 5143 C CG2 . VAL B 114 ? 0.5365 0.5715 0.4156 0.1246 -0.0657 -0.0988 114 VAL B CG2 5144 N N . LEU B 115 ? 0.4818 0.5600 0.4233 0.0808 -0.0426 -0.1103 115 LEU B N 5145 C CA . LEU B 115 ? 0.4657 0.5446 0.4147 0.0649 -0.0346 -0.1076 115 LEU B CA 5146 C C . LEU B 115 ? 0.4900 0.5713 0.4391 0.0588 -0.0341 -0.1046 115 LEU B C 5147 O O . LEU B 115 ? 0.4781 0.5733 0.4341 0.0622 -0.0382 -0.1114 115 LEU B O 5148 C CB . LEU B 115 ? 0.4700 0.5683 0.4376 0.0593 -0.0316 -0.1182 115 LEU B CB 5149 C CG . LEU B 115 ? 0.5543 0.6501 0.5234 0.0598 -0.0284 -0.1205 115 LEU B CG 5150 C CD1 . LEU B 115 ? 0.5585 0.6791 0.5465 0.0567 -0.0263 -0.1334 115 LEU B CD1 5151 C CD2 . LEU B 115 ? 0.6089 0.6893 0.5719 0.0473 -0.0213 -0.1122 115 LEU B CD2 5152 N N . ILE B 116 ? 0.4429 0.5116 0.3842 0.0505 -0.0295 -0.0954 116 ILE B N 5153 C CA . ILE B 116 ? 0.4244 0.4949 0.3650 0.0461 -0.0290 -0.0931 116 ILE B CA 5154 C C . ILE B 116 ? 0.4510 0.5225 0.3987 0.0339 -0.0237 -0.0931 116 ILE B C 5155 O O . ILE B 116 ? 0.4313 0.4935 0.3750 0.0282 -0.0197 -0.0874 116 ILE B O 5156 C CB . ILE B 116 ? 0.4603 0.5186 0.3857 0.0485 -0.0289 -0.0836 116 ILE B CB 5157 C CG1 . ILE B 116 ? 0.4759 0.5275 0.3887 0.0602 -0.0339 -0.0822 116 ILE B CG1 5158 C CG2 . ILE B 116 ? 0.4554 0.5184 0.3815 0.0455 -0.0286 -0.0831 116 ILE B CG2 5159 C CD1 . ILE B 116 ? 0.4833 0.5223 0.3785 0.0604 -0.0323 -0.0727 116 ILE B CD1 5160 N N . TRP B 117 ? 0.4034 0.4842 0.3594 0.0297 -0.0242 -0.0996 117 TRP B N 5161 C CA . TRP B 117 ? 0.4009 0.4788 0.3597 0.0185 -0.0199 -0.1001 117 TRP B CA 5162 C C . TRP B 117 ? 0.4641 0.5338 0.4151 0.0172 -0.0200 -0.0946 117 TRP B C 5163 O O . TRP B 117 ? 0.4300 0.5024 0.3786 0.0223 -0.0235 -0.0958 117 TRP B O 5164 C CB . TRP B 117 ? 0.3794 0.4688 0.3486 0.0130 -0.0198 -0.1104 117 TRP B CB 5165 C CG . TRP B 117 ? 0.3890 0.4706 0.3565 0.0009 -0.0154 -0.1105 117 TRP B CG 5166 C CD1 . TRP B 117 ? 0.4244 0.5012 0.3884 -0.0037 -0.0163 -0.1126 117 TRP B CD1 5167 C CD2 . TRP B 117 ? 0.3889 0.4632 0.3546 -0.0076 -0.0099 -0.1081 117 TRP B CD2 5168 N NE1 . TRP B 117 ? 0.4265 0.4915 0.3852 -0.0143 -0.0119 -0.1113 117 TRP B NE1 5169 C CE2 . TRP B 117 ? 0.4435 0.5075 0.4034 -0.0169 -0.0078 -0.1085 117 TRP B CE2 5170 C CE3 . TRP B 117 ? 0.4040 0.4776 0.3707 -0.0079 -0.0068 -0.1060 117 TRP B CE3 5171 C CZ2 . TRP B 117 ? 0.4306 0.4841 0.3850 -0.0266 -0.0028 -0.1066 117 TRP B CZ2 5172 C CZ3 . TRP B 117 ? 0.4187 0.4846 0.3821 -0.0178 -0.0015 -0.1050 117 TRP B CZ3 5173 C CH2 . TRP B 117 ? 0.4345 0.4904 0.3914 -0.0270 0.0004 -0.1049 117 TRP B CH2 5174 N N . ILE B 118 ? 0.4449 0.5053 0.3916 0.0111 -0.0165 -0.0892 118 ILE B N 5175 C CA . ILE B 118 ? 0.4283 0.4823 0.3682 0.0107 -0.0168 -0.0852 118 ILE B CA 5176 C C . ILE B 118 ? 0.4630 0.5092 0.4016 0.0023 -0.0149 -0.0875 118 ILE B C 5177 O O . ILE B 118 ? 0.4304 0.4716 0.3681 -0.0032 -0.0118 -0.0853 118 ILE B O 5178 C CB . ILE B 118 ? 0.4603 0.5113 0.3946 0.0123 -0.0155 -0.0773 118 ILE B CB 5179 C CG1 . ILE B 118 ? 0.4616 0.5158 0.3932 0.0186 -0.0163 -0.0744 118 ILE B CG1 5180 C CG2 . ILE B 118 ? 0.4341 0.4830 0.3634 0.0138 -0.0166 -0.0752 118 ILE B CG2 5181 C CD1 . ILE B 118 ? 0.4388 0.4902 0.3645 0.0173 -0.0139 -0.0672 118 ILE B CD1 5182 N N . TYR B 119 ? 0.4341 0.4773 0.3706 0.0010 -0.0167 -0.0920 119 TYR B N 5183 C CA . TYR B 119 ? 0.4419 0.4725 0.3727 -0.0078 -0.0149 -0.0939 119 TYR B CA 5184 C C . TYR B 119 ? 0.4898 0.5075 0.4102 -0.0073 -0.0150 -0.0877 119 TYR B C 5185 O O . TYR B 119 ? 0.4485 0.4693 0.3671 0.0004 -0.0172 -0.0834 119 TYR B O 5186 C CB . TYR B 119 ? 0.4540 0.4807 0.3820 -0.0097 -0.0172 -0.1003 119 TYR B CB 5187 C CG . TYR B 119 ? 0.4639 0.4886 0.3860 -0.0002 -0.0219 -0.0994 119 TYR B CG 5188 C CD1 . TYR B 119 ? 0.4966 0.5075 0.4071 0.0031 -0.0235 -0.0957 119 TYR B CD1 5189 C CD2 . TYR B 119 ? 0.4521 0.4884 0.3793 0.0058 -0.0251 -0.1034 119 TYR B CD2 5190 C CE1 . TYR B 119 ? 0.4829 0.4937 0.3883 0.0126 -0.0275 -0.0961 119 TYR B CE1 5191 C CE2 . TYR B 119 ? 0.4504 0.4851 0.3713 0.0143 -0.0288 -0.1031 119 TYR B CE2 5192 C CZ . TYR B 119 ? 0.4763 0.4989 0.3868 0.0176 -0.0297 -0.0997 119 TYR B CZ 5193 O OH . TYR B 119 ? 0.4638 0.4866 0.3685 0.0268 -0.0332 -0.1008 119 TYR B OH 5194 N N . GLY B 120 ? 0.4781 0.4821 0.3909 -0.0155 -0.0127 -0.0879 120 GLY B N 5195 C CA . GLY B 120 ? 0.4910 0.4798 0.3910 -0.0146 -0.0141 -0.0832 120 GLY B CA 5196 C C . GLY B 120 ? 0.5247 0.4959 0.4113 -0.0140 -0.0172 -0.0855 120 GLY B C 5197 O O . GLY B 120 ? 0.5004 0.4728 0.3887 -0.0142 -0.0183 -0.0906 120 GLY B O 5198 N N . GLY B 121 ? 0.4969 0.4501 0.3686 -0.0131 -0.0191 -0.0822 121 GLY B N 5199 C CA . GLY B 121 ? 0.5061 0.4368 0.3602 -0.0106 -0.0231 -0.0837 121 GLY B CA 5200 C C . GLY B 121 ? 0.5548 0.4807 0.4001 0.0023 -0.0290 -0.0801 121 GLY B C 5201 O O . GLY B 121 ? 0.5540 0.4703 0.3900 0.0108 -0.0338 -0.0822 121 GLY B O 5202 N N . GLY B 122 ? 0.5200 0.4536 0.3684 0.0040 -0.0288 -0.0757 122 GLY B N 5203 C CA . GLY B 122 ? 0.5147 0.4491 0.3575 0.0152 -0.0342 -0.0730 122 GLY B CA 5204 C C . GLY B 122 ? 0.5754 0.5283 0.4267 0.0278 -0.0377 -0.0745 122 GLY B C 5205 O O . GLY B 122 ? 0.5865 0.5381 0.4308 0.0390 -0.0433 -0.0747 122 GLY B O 5206 N N . PHE B 123 ? 0.5163 0.4874 0.3821 0.0268 -0.0346 -0.0761 123 PHE B N 5207 C CA . PHE B 123 ? 0.4927 0.4816 0.3657 0.0372 -0.0365 -0.0778 123 PHE B CA 5208 C C . PHE B 123 ? 0.5490 0.5240 0.4098 0.0462 -0.0415 -0.0822 123 PHE B C 5209 O O . PHE B 123 ? 0.5556 0.5443 0.4197 0.0566 -0.0435 -0.0843 123 PHE B O 5210 C CB . PHE B 123 ? 0.4890 0.4979 0.3691 0.0434 -0.0374 -0.0755 123 PHE B CB 5211 C CG . PHE B 123 ? 0.4711 0.4945 0.3631 0.0348 -0.0324 -0.0717 123 PHE B CG 5212 C CD1 . PHE B 123 ? 0.4842 0.5210 0.3864 0.0316 -0.0282 -0.0710 123 PHE B CD1 5213 C CD2 . PHE B 123 ? 0.4665 0.4876 0.3572 0.0304 -0.0324 -0.0689 123 PHE B CD2 5214 C CE1 . PHE B 123 ? 0.4700 0.5155 0.3798 0.0243 -0.0240 -0.0676 123 PHE B CE1 5215 C CE2 . PHE B 123 ? 0.4792 0.5117 0.3793 0.0226 -0.0280 -0.0659 123 PHE B CE2 5216 C CZ . PHE B 123 ? 0.4431 0.4865 0.3521 0.0196 -0.0238 -0.0652 123 PHE B CZ 5217 N N . TYR B 124 ? 0.5124 0.4594 0.3574 0.0418 -0.0430 -0.0839 124 TYR B N 5218 C CA . TYR B 124 ? 0.5274 0.4551 0.3569 0.0496 -0.0481 -0.0883 124 TYR B CA 5219 C C . TYR B 124 ? 0.5850 0.4994 0.4111 0.0393 -0.0458 -0.0922 124 TYR B C 5220 O O . TYR B 124 ? 0.6084 0.5058 0.4217 0.0434 -0.0494 -0.0966 124 TYR B O 5221 C CB . TYR B 124 ? 0.5676 0.4683 0.3752 0.0558 -0.0538 -0.0873 124 TYR B CB 5222 C CG . TYR B 124 ? 0.5924 0.4640 0.3844 0.0424 -0.0516 -0.0852 124 TYR B CG 5223 C CD1 . TYR B 124 ? 0.6340 0.4759 0.4083 0.0357 -0.0518 -0.0883 124 TYR B CD1 5224 C CD2 . TYR B 124 ? 0.5904 0.4631 0.3835 0.0359 -0.0491 -0.0804 124 TYR B CD2 5225 C CE1 . TYR B 124 ? 0.6582 0.4744 0.4176 0.0210 -0.0483 -0.0866 124 TYR B CE1 5226 C CE2 . TYR B 124 ? 0.6270 0.4734 0.4043 0.0229 -0.0462 -0.0786 124 TYR B CE2 5227 C CZ . TYR B 124 ? 0.7635 0.5823 0.5243 0.0148 -0.0452 -0.0817 124 TYR B CZ 5228 O OH . TYR B 124 ? 0.7710 0.5635 0.5147 0.0002 -0.0411 -0.0802 124 TYR B OH 5229 N N . SER B 125 ? 0.5182 0.4409 0.3555 0.0260 -0.0400 -0.0915 125 SER B N 5230 C CA . SER B 125 ? 0.5160 0.4305 0.3524 0.0147 -0.0376 -0.0964 125 SER B CA 5231 C C . SER B 125 ? 0.5309 0.4692 0.3875 0.0066 -0.0324 -0.0968 125 SER B C 5232 O O . SER B 125 ? 0.4951 0.4511 0.3632 0.0090 -0.0305 -0.0925 125 SER B O 5233 C CB . SER B 125 ? 0.5708 0.4538 0.3878 0.0038 -0.0365 -0.0965 125 SER B CB 5234 O OG . SER B 125 ? 0.5942 0.4789 0.4136 -0.0036 -0.0324 -0.0918 125 SER B OG 5235 N N . GLY B 126 ? 0.5199 0.4576 0.3794 -0.0029 -0.0306 -0.1027 126 GLY B N 5236 C CA . GLY B 126 ? 0.5017 0.4611 0.3792 -0.0098 -0.0267 -0.1052 126 GLY B CA 5237 C C . GLY B 126 ? 0.5337 0.5092 0.4207 -0.0050 -0.0293 -0.1106 126 GLY B C 5238 O O . GLY B 126 ? 0.5360 0.5094 0.4175 0.0050 -0.0336 -0.1113 126 GLY B O 5239 N N . ALA B 127 ? 0.4972 0.4897 0.3982 -0.0114 -0.0269 -0.1150 127 ALA B N 5240 C CA . ALA B 127 ? 0.4860 0.4956 0.3966 -0.0072 -0.0300 -0.1212 127 ALA B CA 5241 C C . ALA B 127 ? 0.5223 0.5533 0.4493 -0.0102 -0.0277 -0.1235 127 ALA B C 5242 O O . ALA B 127 ? 0.5114 0.5423 0.4421 -0.0203 -0.0230 -0.1245 127 ALA B O 5243 C CB . ALA B 127 ? 0.5070 0.5065 0.4112 -0.0148 -0.0319 -0.1298 127 ALA B CB 5244 N N . ALA B 128 ? 0.4848 0.5332 0.4200 -0.0007 -0.0311 -0.1247 128 ALA B N 5245 C CA . ALA B 128 ? 0.4763 0.5443 0.4255 -0.0002 -0.0305 -0.1278 128 ALA B CA 5246 C C . ALA B 128 ? 0.5207 0.6007 0.4793 -0.0087 -0.0311 -0.1397 128 ALA B C 5247 O O . ALA B 128 ? 0.5107 0.6089 0.4823 -0.0093 -0.0305 -0.1446 128 ALA B O 5248 C CB . ALA B 128 ? 0.4779 0.5561 0.4281 0.0135 -0.0345 -0.1247 128 ALA B CB 5249 N N . SER B 129 ? 0.4852 0.5550 0.4369 -0.0154 -0.0324 -0.1450 129 SER B N 5250 C CA . SER B 129 ? 0.4848 0.5653 0.4441 -0.0254 -0.0331 -0.1573 129 SER B CA 5251 C C . SER B 129 ? 0.5523 0.6278 0.5126 -0.0440 -0.0261 -0.1615 129 SER B C 5252 O O . SER B 129 ? 0.5481 0.6348 0.5159 -0.0551 -0.0254 -0.1726 129 SER B O 5253 C CB . SER B 129 ? 0.5209 0.5918 0.4705 -0.0238 -0.0383 -0.1617 129 SER B CB 5254 O OG . SER B 129 ? 0.5968 0.6388 0.5280 -0.0259 -0.0371 -0.1560 129 SER B OG 5255 N N . LEU B 130 ? 0.5241 0.5835 0.4764 -0.0482 -0.0206 -0.1533 130 LEU B N 5256 C CA . LEU B 130 ? 0.5465 0.5987 0.4964 -0.0664 -0.0131 -0.1565 130 LEU B CA 5257 C C . LEU B 130 ? 0.5696 0.6521 0.5401 -0.0726 -0.0094 -0.1655 130 LEU B C 5258 O O . LEU B 130 ? 0.5475 0.6501 0.5310 -0.0606 -0.0117 -0.1648 130 LEU B O 5259 C CB . LEU B 130 ? 0.5543 0.5837 0.4902 -0.0680 -0.0088 -0.1459 130 LEU B CB 5260 C CG . LEU B 130 ? 0.6321 0.6333 0.5479 -0.0598 -0.0127 -0.1372 130 LEU B CG 5261 C CD1 . LEU B 130 ? 0.6457 0.6271 0.5485 -0.0627 -0.0089 -0.1286 130 LEU B CD1 5262 C CD2 . LEU B 130 ? 0.6504 0.6315 0.5516 -0.0656 -0.0153 -0.1421 130 LEU B CD2 5263 N N . ASP B 131 ? 0.5303 0.6159 0.5029 -0.0912 -0.0038 -0.1747 131 ASP B N 5264 C CA . ASP B 131 ? 0.5204 0.6382 0.5137 -0.0992 0.0007 -0.1855 131 ASP B CA 5265 C C . ASP B 131 ? 0.5539 0.6811 0.5544 -0.0936 0.0048 -0.1807 131 ASP B C 5266 O O . ASP B 131 ? 0.5358 0.6939 0.5558 -0.0884 0.0042 -0.1883 131 ASP B O 5267 C CB . ASP B 131 ? 0.5584 0.6725 0.5482 -0.1240 0.0088 -0.1942 131 ASP B CB 5268 C CG . ASP B 131 ? 0.6789 0.7902 0.6656 -0.1331 0.0055 -0.2032 131 ASP B CG 5269 O OD1 . ASP B 131 ? 0.6710 0.7914 0.6632 -0.1191 -0.0037 -0.2052 131 ASP B OD1 5270 O OD2 . ASP B 131 ? 0.7741 0.8734 0.7517 -0.1548 0.0122 -0.2086 131 ASP B OD2 5271 N N . VAL B 132 ? 0.5261 0.6271 0.5104 -0.0941 0.0084 -0.1690 132 VAL B N 5272 C CA . VAL B 132 ? 0.5180 0.6251 0.5068 -0.0901 0.0125 -0.1644 132 VAL B CA 5273 C C . VAL B 132 ? 0.5366 0.6534 0.5327 -0.0696 0.0059 -0.1593 132 VAL B C 5274 O O . VAL B 132 ? 0.5107 0.6355 0.5124 -0.0652 0.0084 -0.1576 132 VAL B O 5275 C CB . VAL B 132 ? 0.5862 0.6637 0.5552 -0.0980 0.0182 -0.1547 132 VAL B CB 5276 C CG1 . VAL B 132 ? 0.6188 0.6922 0.5826 -0.1201 0.0275 -0.1611 132 VAL B CG1 5277 C CG2 . VAL B 132 ? 0.5847 0.6316 0.5338 -0.0917 0.0130 -0.1444 132 VAL B CG2 5278 N N . TYR B 133 ? 0.4919 0.6059 0.4856 -0.0575 -0.0022 -0.1566 133 TYR B N 5279 C CA . TYR B 133 ? 0.4754 0.5953 0.4722 -0.0392 -0.0082 -0.1512 133 TYR B CA 5280 C C . TYR B 133 ? 0.5025 0.6490 0.5144 -0.0304 -0.0141 -0.1610 133 TYR B C 5281 O O . TYR B 133 ? 0.4797 0.6286 0.4908 -0.0152 -0.0202 -0.1573 133 TYR B O 5282 C CB . TYR B 133 ? 0.4911 0.5900 0.4730 -0.0310 -0.0126 -0.1410 133 TYR B CB 5283 C CG . TYR B 133 ? 0.4969 0.5701 0.4630 -0.0373 -0.0090 -0.1324 133 TYR B CG 5284 C CD1 . TYR B 133 ? 0.5038 0.5712 0.4676 -0.0443 -0.0029 -0.1292 133 TYR B CD1 5285 C CD2 . TYR B 133 ? 0.5007 0.5557 0.4533 -0.0343 -0.0123 -0.1276 133 TYR B CD2 5286 C CE1 . TYR B 133 ? 0.5016 0.5452 0.4494 -0.0488 -0.0008 -0.1216 133 TYR B CE1 5287 C CE2 . TYR B 133 ? 0.5114 0.5435 0.4489 -0.0375 -0.0104 -0.1204 133 TYR B CE2 5288 C CZ . TYR B 133 ? 0.5433 0.5695 0.4782 -0.0447 -0.0050 -0.1172 133 TYR B CZ 5289 O OH . TYR B 133 ? 0.4884 0.4918 0.4070 -0.0468 -0.0041 -0.1103 133 TYR B OH 5290 N N . ASP B 134 ? 0.4619 0.6285 0.4866 -0.0403 -0.0121 -0.1738 134 ASP B N 5291 C CA . ASP B 134 ? 0.4442 0.6402 0.4850 -0.0326 -0.0183 -0.1856 134 ASP B CA 5292 C C . ASP B 134 ? 0.4797 0.6916 0.5295 -0.0173 -0.0210 -0.1863 134 ASP B C 5293 O O . ASP B 134 ? 0.4554 0.6792 0.5141 -0.0219 -0.0154 -0.1907 134 ASP B O 5294 C CB . ASP B 134 ? 0.4710 0.6871 0.5245 -0.0499 -0.0138 -0.2000 134 ASP B CB 5295 C CG . ASP B 134 ? 0.5498 0.7998 0.6217 -0.0444 -0.0205 -0.2147 134 ASP B CG 5296 O OD1 . ASP B 134 ? 0.5375 0.7962 0.6120 -0.0250 -0.0291 -0.2140 134 ASP B OD1 5297 O OD2 . ASP B 134 ? 0.6572 0.9249 0.7397 -0.0598 -0.0171 -0.2273 134 ASP B OD2 5298 N N . GLY B 135 ? 0.4425 0.6530 0.4881 0.0006 -0.0294 -0.1821 135 GLY B N 5299 C CA . GLY B 135 ? 0.4345 0.6529 0.4831 0.0167 -0.0332 -0.1816 135 GLY B CA 5300 C C . GLY B 135 ? 0.4818 0.7333 0.5483 0.0250 -0.0382 -0.1964 135 GLY B C 5301 O O . GLY B 135 ? 0.4907 0.7456 0.5569 0.0409 -0.0426 -0.1961 135 GLY B O 5302 N N . ARG B 136 ? 0.4431 0.7191 0.5247 0.0149 -0.0378 -0.2102 136 ARG B N 5303 C CA . ARG B 136 ? 0.4451 0.7586 0.5466 0.0228 -0.0435 -0.2267 136 ARG B CA 5304 C C . ARG B 136 ? 0.4907 0.8237 0.6054 0.0250 -0.0389 -0.2338 136 ARG B C 5305 O O . ARG B 136 ? 0.4852 0.8408 0.6099 0.0419 -0.0463 -0.2428 136 ARG B O 5306 C CB . ARG B 136 ? 0.4357 0.7719 0.5505 0.0087 -0.0437 -0.2405 136 ARG B CB 5307 C CG . ARG B 136 ? 0.5061 0.8574 0.6337 -0.0148 -0.0322 -0.2497 136 ARG B CG 5308 C CD . ARG B 136 ? 0.5467 0.9206 0.6866 -0.0292 -0.0331 -0.2642 136 ARG B CD 5309 N NE . ARG B 136 ? 0.5962 0.9400 0.7182 -0.0366 -0.0343 -0.2558 136 ARG B NE 5310 C CZ . ARG B 136 ? 0.7171 1.0686 0.8417 -0.0445 -0.0383 -0.2647 136 ARG B CZ 5311 N NH1 . ARG B 136 ? 0.5723 0.9643 0.7188 -0.0473 -0.0417 -0.2831 136 ARG B NH1 5312 N NH2 . ARG B 136 ? 0.5083 0.8284 0.6140 -0.0497 -0.0391 -0.2561 136 ARG B NH2 5313 N N . PHE B 137 ? 0.4552 0.7792 0.5687 0.0093 -0.0273 -0.2303 137 PHE B N 5314 C CA . PHE B 137 ? 0.4563 0.7984 0.5814 0.0100 -0.0217 -0.2375 137 PHE B CA 5315 C C . PHE B 137 ? 0.4784 0.8046 0.5928 0.0303 -0.0262 -0.2289 137 PHE B C 5316 O O . PHE B 137 ? 0.4537 0.8016 0.5787 0.0445 -0.0300 -0.2386 137 PHE B O 5317 C CB . PHE B 137 ? 0.4865 0.8215 0.6103 -0.0134 -0.0078 -0.2359 137 PHE B CB 5318 C CG . PHE B 137 ? 0.5215 0.8620 0.6491 -0.0353 -0.0030 -0.2418 137 PHE B CG 5319 C CD1 . PHE B 137 ? 0.5636 0.9434 0.7130 -0.0448 -0.0008 -0.2603 137 PHE B CD1 5320 C CD2 . PHE B 137 ? 0.5470 0.8535 0.6556 -0.0460 -0.0012 -0.2297 137 PHE B CD2 5321 C CE1 . PHE B 137 ? 0.5808 0.9627 0.7313 -0.0666 0.0036 -0.2659 137 PHE B CE1 5322 C CE2 . PHE B 137 ? 0.5955 0.9023 0.7040 -0.0656 0.0026 -0.2352 137 PHE B CE2 5323 C CZ . PHE B 137 ? 0.5783 0.9213 0.7070 -0.0767 0.0052 -0.2530 137 PHE B CZ 5324 N N . LEU B 138 ? 0.4302 0.7188 0.5229 0.0324 -0.0265 -0.2116 138 LEU B N 5325 C CA . LEU B 138 ? 0.4295 0.6982 0.5086 0.0494 -0.0305 -0.2025 138 LEU B CA 5326 C C . LEU B 138 ? 0.4877 0.7637 0.5655 0.0718 -0.0430 -0.2063 138 LEU B C 5327 O O . LEU B 138 ? 0.4739 0.7504 0.5495 0.0878 -0.0471 -0.2085 138 LEU B O 5328 C CB . LEU B 138 ? 0.4213 0.6517 0.4790 0.0441 -0.0274 -0.1844 138 LEU B CB 5329 C CG . LEU B 138 ? 0.4557 0.6744 0.5104 0.0268 -0.0163 -0.1794 138 LEU B CG 5330 C CD1 . LEU B 138 ? 0.4586 0.6476 0.4965 0.0191 -0.0144 -0.1648 138 LEU B CD1 5331 C CD2 . LEU B 138 ? 0.4451 0.6599 0.4978 0.0329 -0.0134 -0.1790 138 LEU B CD2 5332 N N . ALA B 139 ? 0.4659 0.7472 0.5440 0.0734 -0.0496 -0.2081 139 ALA B N 5333 C CA . ALA B 139 ? 0.4666 0.7553 0.5418 0.0944 -0.0624 -0.2124 139 ALA B CA 5334 C C . ALA B 139 ? 0.5266 0.8536 0.6226 0.1050 -0.0671 -0.2307 139 ALA B C 5335 O O . ALA B 139 ? 0.5246 0.8506 0.6148 0.1264 -0.0753 -0.2326 139 ALA B O 5336 C CB . ALA B 139 ? 0.4678 0.7576 0.5407 0.0911 -0.0673 -0.2122 139 ALA B CB 5337 N N . GLN B 140 ? 0.4860 0.8463 0.6052 0.0901 -0.0618 -0.2448 140 GLN B N 5338 C CA . GLN B 140 ? 0.4780 0.8820 0.6209 0.0984 -0.0656 -0.2646 140 GLN B CA 5339 C C . GLN B 140 ? 0.5304 0.9401 0.6778 0.1055 -0.0613 -0.2683 140 GLN B C 5340 O O . GLN B 140 ? 0.5376 0.9631 0.6893 0.1278 -0.0703 -0.2773 140 GLN B O 5341 C CB . GLN B 140 ? 0.4827 0.9211 0.6488 0.0768 -0.0595 -0.2789 140 GLN B CB 5342 C CG . GLN B 140 ? 0.4987 0.9869 0.6896 0.0867 -0.0679 -0.3008 140 GLN B CG 5343 C CD . GLN B 140 ? 0.5998 1.1195 0.8091 0.0931 -0.0646 -0.3144 140 GLN B CD 5344 O OE1 . GLN B 140 ? 0.5014 1.0202 0.7145 0.0773 -0.0515 -0.3135 140 GLN B OE1 5345 N NE2 . GLN B 140 ? 0.4743 1.0205 0.6930 0.1181 -0.0768 -0.3269 140 GLN B NE2 5346 N N . VAL B 141 ? 0.4774 0.8757 0.6236 0.0875 -0.0480 -0.2626 141 VAL B N 5347 C CA . VAL B 141 ? 0.4759 0.8826 0.6277 0.0916 -0.0424 -0.2679 141 VAL B CA 5348 C C . VAL B 141 ? 0.5500 0.9218 0.6791 0.1109 -0.0475 -0.2559 141 VAL B C 5349 O O . VAL B 141 ? 0.5611 0.9445 0.6940 0.1286 -0.0515 -0.2644 141 VAL B O 5350 C CB . VAL B 141 ? 0.5110 0.9183 0.6680 0.0650 -0.0264 -0.2670 141 VAL B CB 5351 C CG1 . VAL B 141 ? 0.4988 0.9165 0.6615 0.0691 -0.0201 -0.2734 141 VAL B CG1 5352 C CG2 . VAL B 141 ? 0.5011 0.9411 0.6783 0.0447 -0.0212 -0.2798 141 VAL B CG2 5353 N N . GLU B 142 ? 0.5012 0.8308 0.6065 0.1075 -0.0472 -0.2370 142 GLU B N 5354 C CA . GLU B 142 ? 0.5000 0.7931 0.5817 0.1210 -0.0503 -0.2245 142 GLU B CA 5355 C C . GLU B 142 ? 0.5761 0.8496 0.6394 0.1411 -0.0631 -0.2182 142 GLU B C 5356 O O . GLU B 142 ? 0.6060 0.8478 0.6475 0.1528 -0.0662 -0.2086 142 GLU B O 5357 C CB . GLU B 142 ? 0.5019 0.7620 0.5687 0.1030 -0.0403 -0.2084 142 GLU B CB 5358 C CG . GLU B 142 ? 0.5675 0.8391 0.6456 0.0861 -0.0280 -0.2130 142 GLU B CG 5359 C CD . GLU B 142 ? 0.7476 1.0299 0.8306 0.0973 -0.0269 -0.2223 142 GLU B CD 5360 O OE1 . GLU B 142 ? 0.6532 0.9170 0.7218 0.1168 -0.0344 -0.2190 142 GLU B OE1 5361 O OE2 . GLU B 142 ? 0.6694 0.9780 0.7693 0.0866 -0.0183 -0.2332 142 GLU B OE2 5362 N N . GLY B 143 ? 0.5196 0.8098 0.5896 0.1443 -0.0702 -0.2234 143 GLY B N 5363 C CA . GLY B 143 ? 0.5366 0.8089 0.5877 0.1626 -0.0825 -0.2177 143 GLY B CA 5364 C C . GLY B 143 ? 0.6107 0.8421 0.6369 0.1548 -0.0797 -0.1981 143 GLY B C 5365 O O . GLY B 143 ? 0.6356 0.8420 0.6392 0.1689 -0.0875 -0.1899 143 GLY B O 5366 N N . ALA B 144 ? 0.5413 0.7652 0.5703 0.1325 -0.0687 -0.1906 144 ALA B N 5367 C CA . ALA B 144 ? 0.5267 0.7164 0.5351 0.1243 -0.0652 -0.1733 144 ALA B CA 5368 C C . ALA B 144 ? 0.5641 0.7518 0.5664 0.1246 -0.0703 -0.1699 144 ALA B C 5369 O O . ALA B 144 ? 0.5417 0.7556 0.5596 0.1228 -0.0734 -0.1805 144 ALA B O 5370 C CB . ALA B 144 ? 0.5199 0.7053 0.5341 0.1025 -0.0530 -0.1684 144 ALA B CB 5371 N N . VAL B 145 ? 0.5187 0.6756 0.4981 0.1255 -0.0705 -0.1555 145 VAL B N 5372 C CA . VAL B 145 ? 0.4964 0.6476 0.4677 0.1230 -0.0728 -0.1501 145 VAL B CA 5373 C C . VAL B 145 ? 0.5251 0.6663 0.4975 0.1032 -0.0622 -0.1416 145 VAL B C 5374 O O . VAL B 145 ? 0.5178 0.6379 0.4791 0.0987 -0.0568 -0.1316 145 VAL B O 5375 C CB . VAL B 145 ? 0.5565 0.6830 0.5011 0.1372 -0.0797 -0.1409 145 VAL B CB 5376 C CG1 . VAL B 145 ? 0.5481 0.6665 0.4835 0.1305 -0.0786 -0.1335 145 VAL B CG1 5377 C CG2 . VAL B 145 ? 0.5686 0.7071 0.5122 0.1581 -0.0919 -0.1509 145 VAL B CG2 5378 N N . LEU B 146 ? 0.4827 0.6401 0.4692 0.0914 -0.0595 -0.1473 146 LEU B N 5379 C CA . LEU B 146 ? 0.4855 0.6335 0.4722 0.0745 -0.0509 -0.1407 146 LEU B CA 5380 C C . LEU B 146 ? 0.5083 0.6480 0.4857 0.0725 -0.0524 -0.1352 146 LEU B C 5381 O O . LEU B 146 ? 0.4994 0.6517 0.4808 0.0764 -0.0580 -0.1423 146 LEU B O 5382 C CB . LEU B 146 ? 0.4931 0.6592 0.4984 0.0607 -0.0452 -0.1501 146 LEU B CB 5383 C CG . LEU B 146 ? 0.5783 0.7294 0.5801 0.0452 -0.0362 -0.1423 146 LEU B CG 5384 C CD1 . LEU B 146 ? 0.5748 0.7352 0.5875 0.0367 -0.0299 -0.1480 146 LEU B CD1 5385 C CD2 . LEU B 146 ? 0.6062 0.7534 0.6062 0.0350 -0.0348 -0.1413 146 LEU B CD2 5386 N N . VAL B 147 ? 0.4560 0.5760 0.4213 0.0668 -0.0474 -0.1236 147 VAL B N 5387 C CA . VAL B 147 ? 0.4454 0.5578 0.4015 0.0652 -0.0478 -0.1184 147 VAL B CA 5388 C C . VAL B 147 ? 0.4712 0.5779 0.4300 0.0515 -0.0410 -0.1151 147 VAL B C 5389 O O . VAL B 147 ? 0.4616 0.5612 0.4207 0.0455 -0.0358 -0.1107 147 VAL B O 5390 C CB . VAL B 147 ? 0.4863 0.5818 0.4231 0.0732 -0.0490 -0.1078 147 VAL B CB 5391 C CG1 . VAL B 147 ? 0.4735 0.5652 0.4016 0.0727 -0.0492 -0.1041 147 VAL B CG1 5392 C CG2 . VAL B 147 ? 0.4860 0.5808 0.4151 0.0878 -0.0561 -0.1098 147 VAL B CG2 5393 N N . SER B 148 ? 0.4235 0.5314 0.3823 0.0475 -0.0416 -0.1174 148 SER B N 5394 C CA . SER B 148 ? 0.4132 0.5115 0.3701 0.0373 -0.0365 -0.1136 148 SER B CA 5395 C C . SER B 148 ? 0.4544 0.5477 0.4021 0.0408 -0.0387 -0.1113 148 SER B C 5396 O O . SER B 148 ? 0.4488 0.5491 0.3961 0.0464 -0.0439 -0.1168 148 SER B O 5397 C CB . SER B 148 ? 0.4414 0.5447 0.4083 0.0259 -0.0338 -0.1213 148 SER B CB 5398 O OG . SER B 148 ? 0.5376 0.6517 0.5097 0.0258 -0.0381 -0.1309 148 SER B OG 5399 N N . MET B 149 ? 0.4167 0.4995 0.3569 0.0386 -0.0354 -0.1039 149 MET B N 5400 C CA . MET B 149 ? 0.4129 0.4927 0.3446 0.0431 -0.0371 -0.1026 149 MET B CA 5401 C C . MET B 149 ? 0.4805 0.5520 0.4105 0.0371 -0.0353 -0.1032 149 MET B C 5402 O O . MET B 149 ? 0.4606 0.5259 0.3925 0.0301 -0.0317 -0.1008 149 MET B O 5403 C CB . MET B 149 ? 0.4337 0.5110 0.3558 0.0490 -0.0355 -0.0939 149 MET B CB 5404 C CG . MET B 149 ? 0.4574 0.5290 0.3774 0.0442 -0.0303 -0.0868 149 MET B CG 5405 S SD . MET B 149 ? 0.4851 0.5523 0.4117 0.0357 -0.0264 -0.0841 149 MET B SD 5406 C CE . MET B 149 ? 0.4545 0.5208 0.3762 0.0401 -0.0261 -0.0793 149 MET B CE 5407 N N . ASN B 150 ? 0.4434 0.5126 0.3672 0.0410 -0.0381 -0.1060 150 ASN B N 5408 C CA . ASN B 150 ? 0.4337 0.4918 0.3515 0.0388 -0.0373 -0.1058 150 ASN B CA 5409 C C . ASN B 150 ? 0.4745 0.5341 0.3869 0.0451 -0.0353 -0.0985 150 ASN B C 5410 O O . ASN B 150 ? 0.4623 0.5300 0.3723 0.0513 -0.0355 -0.0961 150 ASN B O 5411 C CB . ASN B 150 ? 0.3987 0.4527 0.3109 0.0413 -0.0416 -0.1131 150 ASN B CB 5412 C CG . ASN B 150 ? 0.5887 0.6386 0.5044 0.0320 -0.0428 -0.1213 150 ASN B CG 5413 O OD1 . ASN B 150 ? 0.5073 0.5583 0.4304 0.0231 -0.0400 -0.1220 150 ASN B OD1 5414 N ND2 . ASN B 150 ? 0.5672 0.6133 0.4777 0.0331 -0.0468 -0.1284 150 ASN B ND2 5415 N N . TYR B 151 ? 0.4228 0.4752 0.3324 0.0433 -0.0336 -0.0955 151 TYR B N 5416 C CA . TYR B 151 ? 0.4232 0.4809 0.3296 0.0488 -0.0318 -0.0905 151 TYR B CA 5417 C C . TYR B 151 ? 0.4668 0.5152 0.3666 0.0520 -0.0340 -0.0929 151 TYR B C 5418 O O . TYR B 151 ? 0.4808 0.5150 0.3778 0.0470 -0.0352 -0.0953 151 TYR B O 5419 C CB . TYR B 151 ? 0.4210 0.4827 0.3319 0.0440 -0.0277 -0.0838 151 TYR B CB 5420 C CG . TYR B 151 ? 0.4290 0.4811 0.3419 0.0367 -0.0268 -0.0831 151 TYR B CG 5421 C CD1 . TYR B 151 ? 0.4362 0.4849 0.3540 0.0295 -0.0256 -0.0842 151 TYR B CD1 5422 C CD2 . TYR B 151 ? 0.4265 0.4741 0.3357 0.0377 -0.0272 -0.0815 151 TYR B CD2 5423 C CE1 . TYR B 151 ? 0.4077 0.4474 0.3256 0.0222 -0.0240 -0.0835 151 TYR B CE1 5424 C CE2 . TYR B 151 ? 0.4339 0.4704 0.3417 0.0313 -0.0267 -0.0805 151 TYR B CE2 5425 C CZ . TYR B 151 ? 0.5199 0.5522 0.4317 0.0229 -0.0245 -0.0812 151 TYR B CZ 5426 O OH . TYR B 151 ? 0.5045 0.5257 0.4133 0.0160 -0.0232 -0.0802 151 TYR B OH 5427 N N . ARG B 152 ? 0.4356 0.4911 0.3316 0.0606 -0.0343 -0.0926 152 ARG B N 5428 C CA . ARG B 152 ? 0.4448 0.4915 0.3331 0.0669 -0.0374 -0.0956 152 ARG B CA 5429 C C . ARG B 152 ? 0.4940 0.5326 0.3818 0.0635 -0.0374 -0.0925 152 ARG B C 5430 O O . ARG B 152 ? 0.4548 0.5035 0.3496 0.0596 -0.0341 -0.0875 152 ARG B O 5431 C CB . ARG B 152 ? 0.4263 0.4873 0.3126 0.0778 -0.0373 -0.0969 152 ARG B CB 5432 C CG . ARG B 152 ? 0.4685 0.5309 0.3497 0.0834 -0.0391 -0.1019 152 ARG B CG 5433 C CD . ARG B 152 ? 0.4730 0.5533 0.3530 0.0928 -0.0371 -0.1025 152 ARG B CD 5434 N NE . ARG B 152 ? 0.4921 0.5895 0.3780 0.0882 -0.0313 -0.0967 152 ARG B NE 5435 C CZ . ARG B 152 ? 0.5861 0.7021 0.4719 0.0924 -0.0272 -0.0960 152 ARG B CZ 5436 N NH1 . ARG B 152 ? 0.4072 0.5308 0.2897 0.1028 -0.0284 -0.1015 152 ARG B NH1 5437 N NH2 . ARG B 152 ? 0.3921 0.5185 0.2800 0.0860 -0.0216 -0.0903 152 ARG B NH2 5438 N N . VAL B 153 ? 0.4675 0.4856 0.3447 0.0648 -0.0413 -0.0956 153 VAL B N 5439 C CA . VAL B 153 ? 0.4685 0.4732 0.3401 0.0625 -0.0424 -0.0931 153 VAL B CA 5440 C C . VAL B 153 ? 0.5460 0.5415 0.4054 0.0755 -0.0479 -0.0962 153 VAL B C 5441 O O . VAL B 153 ? 0.5359 0.5339 0.3915 0.0848 -0.0503 -0.1008 153 VAL B O 5442 C CB . VAL B 153 ? 0.5137 0.4973 0.3802 0.0501 -0.0415 -0.0936 153 VAL B CB 5443 C CG1 . VAL B 153 ? 0.4770 0.4728 0.3567 0.0396 -0.0365 -0.0911 153 VAL B CG1 5444 C CG2 . VAL B 153 ? 0.5270 0.4927 0.3830 0.0495 -0.0444 -0.0998 153 VAL B CG2 5445 N N . GLY B 154 ? 0.5219 0.5070 0.3744 0.0772 -0.0504 -0.0941 154 GLY B N 5446 C CA . GLY B 154 ? 0.5302 0.5050 0.3696 0.0913 -0.0569 -0.0971 154 GLY B CA 5447 C C . GLY B 154 ? 0.5410 0.5444 0.3895 0.1043 -0.0576 -0.0998 154 GLY B C 5448 O O . GLY B 154 ? 0.4997 0.5308 0.3643 0.1004 -0.0525 -0.0972 154 GLY B O 5449 N N . THR B 155 ? 0.5282 0.5245 0.3655 0.1194 -0.0633 -0.1055 155 THR B N 5450 C CA . THR B 155 ? 0.5300 0.5547 0.3751 0.1334 -0.0639 -0.1101 155 THR B CA 5451 C C . THR B 155 ? 0.5606 0.6080 0.4184 0.1278 -0.0571 -0.1100 155 THR B C 5452 O O . THR B 155 ? 0.5614 0.6400 0.4327 0.1284 -0.0526 -0.1093 155 THR B O 5453 C CB . THR B 155 ? 0.6208 0.6281 0.4484 0.1510 -0.0716 -0.1173 155 THR B CB 5454 O OG1 . THR B 155 ? 0.5995 0.5809 0.4149 0.1468 -0.0722 -0.1195 155 THR B OG1 5455 C CG2 . THR B 155 ? 0.6508 0.6348 0.4626 0.1594 -0.0794 -0.1175 155 THR B CG2 5456 N N . PHE B 156 ? 0.5067 0.5382 0.3594 0.1211 -0.0561 -0.1105 156 PHE B N 5457 C CA . PHE B 156 ? 0.4986 0.5466 0.3593 0.1172 -0.0512 -0.1107 156 PHE B CA 5458 C C . PHE B 156 ? 0.5402 0.6099 0.4158 0.1065 -0.0444 -0.1042 156 PHE B C 5459 O O . PHE B 156 ? 0.5291 0.6209 0.4111 0.1078 -0.0401 -0.1040 156 PHE B O 5460 C CB . PHE B 156 ? 0.5228 0.5489 0.3755 0.1112 -0.0528 -0.1131 156 PHE B CB 5461 C CG . PHE B 156 ? 0.5560 0.5538 0.3906 0.1190 -0.0595 -0.1191 156 PHE B CG 5462 C CD1 . PHE B 156 ? 0.6069 0.6057 0.4333 0.1329 -0.0627 -0.1259 156 PHE B CD1 5463 C CD2 . PHE B 156 ? 0.5721 0.5406 0.3956 0.1126 -0.0623 -0.1179 156 PHE B CD2 5464 C CE1 . PHE B 156 ? 0.6441 0.6129 0.4510 0.1408 -0.0694 -0.1316 156 PHE B CE1 5465 C CE2 . PHE B 156 ? 0.6292 0.5667 0.4319 0.1193 -0.0685 -0.1229 156 PHE B CE2 5466 C CZ . PHE B 156 ? 0.6422 0.5790 0.4365 0.1338 -0.0724 -0.1297 156 PHE B CZ 5467 N N . GLY B 157 ? 0.4848 0.5471 0.3640 0.0964 -0.0434 -0.0991 157 GLY B N 5468 C CA . GLY B 157 ? 0.4477 0.5261 0.3386 0.0864 -0.0375 -0.0932 157 GLY B CA 5469 C C . GLY B 157 ? 0.4859 0.5817 0.3841 0.0868 -0.0359 -0.0909 157 GLY B C 5470 O O . GLY B 157 ? 0.4769 0.5893 0.3837 0.0796 -0.0305 -0.0870 157 GLY B O 5471 N N . PHE B 158 ? 0.4596 0.5503 0.3533 0.0945 -0.0411 -0.0934 158 PHE B N 5472 C CA . PHE B 158 ? 0.4537 0.5611 0.3551 0.0936 -0.0406 -0.0917 158 PHE B CA 5473 C C . PHE B 158 ? 0.5151 0.6373 0.4164 0.1083 -0.0453 -0.0975 158 PHE B C 5474 O O . PHE B 158 ? 0.5061 0.6457 0.4154 0.1075 -0.0454 -0.0971 158 PHE B O 5475 C CB . PHE B 158 ? 0.4572 0.5448 0.3551 0.0849 -0.0421 -0.0873 158 PHE B CB 5476 C CG . PHE B 158 ? 0.4504 0.5327 0.3528 0.0706 -0.0365 -0.0823 158 PHE B CG 5477 C CD1 . PHE B 158 ? 0.4480 0.5485 0.3608 0.0624 -0.0308 -0.0785 158 PHE B CD1 5478 C CD2 . PHE B 158 ? 0.4640 0.5243 0.3597 0.0661 -0.0369 -0.0823 158 PHE B CD2 5479 C CE1 . PHE B 158 ? 0.4463 0.5410 0.3613 0.0522 -0.0264 -0.0747 158 PHE B CE1 5480 C CE2 . PHE B 158 ? 0.4819 0.5415 0.3831 0.0556 -0.0323 -0.0793 158 PHE B CE2 5481 C CZ . PHE B 158 ? 0.4468 0.5224 0.3568 0.0498 -0.0276 -0.0753 158 PHE B CZ 5482 N N . LEU B 159 ? 0.4750 0.5924 0.3680 0.1221 -0.0495 -0.1036 159 LEU B N 5483 C CA . LEU B 159 ? 0.4868 0.6219 0.3806 0.1384 -0.0543 -0.1104 159 LEU B CA 5484 C C . LEU B 159 ? 0.5464 0.7229 0.4573 0.1357 -0.0472 -0.1119 159 LEU B C 5485 O O . LEU B 159 ? 0.5475 0.7335 0.4617 0.1301 -0.0405 -0.1108 159 LEU B O 5486 C CB . LEU B 159 ? 0.5061 0.6265 0.3861 0.1546 -0.0600 -0.1174 159 LEU B CB 5487 C CG . LEU B 159 ? 0.5534 0.6934 0.4338 0.1746 -0.0656 -0.1261 159 LEU B CG 5488 C CD1 . LEU B 159 ? 0.5751 0.6808 0.4339 0.1900 -0.0758 -0.1304 159 LEU B CD1 5489 C CD2 . LEU B 159 ? 0.5631 0.7348 0.4528 0.1800 -0.0600 -0.1316 159 LEU B CD2 5490 N N . ALA B 160 ? 0.5138 0.7146 0.4342 0.1392 -0.0486 -0.1145 160 ALA B N 5491 C CA . ALA B 160 ? 0.4996 0.7413 0.4366 0.1339 -0.0413 -0.1164 160 ALA B CA 5492 C C . ALA B 160 ? 0.5590 0.8333 0.5047 0.1482 -0.0451 -0.1256 160 ALA B C 5493 O O . ALA B 160 ? 0.5784 0.8474 0.5208 0.1590 -0.0541 -0.1287 160 ALA B O 5494 C CB . ALA B 160 ? 0.4971 0.7426 0.4424 0.1152 -0.0362 -0.1091 160 ALA B CB 5495 N N . LEU B 161 ? 0.5068 0.8158 0.4629 0.1483 -0.0379 -0.1304 161 LEU B N 5496 C CA A LEU B 161 ? 0.5023 0.8545 0.4723 0.1583 -0.0386 -0.1404 161 LEU B CA 5497 C CA B LEU B 161 ? 0.5095 0.8616 0.4792 0.1586 -0.0386 -0.1405 161 LEU B CA 5498 C C . LEU B 161 ? 0.5374 0.9200 0.5222 0.1375 -0.0269 -0.1373 161 LEU B C 5499 O O . LEU B 161 ? 0.5220 0.9193 0.5088 0.1303 -0.0172 -0.1371 161 LEU B O 5500 C CB A LEU B 161 ? 0.5091 0.8758 0.4765 0.1776 -0.0401 -0.1504 161 LEU B CB 5501 C CB B LEU B 161 ? 0.5214 0.8864 0.4880 0.1766 -0.0393 -0.1499 161 LEU B CB 5502 C CG A LEU B 161 ? 0.5749 0.9154 0.5273 0.2010 -0.0534 -0.1559 161 LEU B CG 5503 C CG B LEU B 161 ? 0.6003 0.9390 0.5518 0.2000 -0.0523 -0.1554 161 LEU B CG 5504 C CD1 A LEU B 161 ? 0.6006 0.9513 0.5487 0.2181 -0.0537 -0.1652 161 LEU B CD1 5505 C CD1 B LEU B 161 ? 0.6030 0.8923 0.5345 0.1980 -0.0546 -0.1490 161 LEU B CD1 5506 C CD2 A LEU B 161 ? 0.5618 0.9168 0.5196 0.2138 -0.0629 -0.1619 161 LEU B CD2 5507 C CD2 B LEU B 161 ? 0.6737 1.0398 0.6279 0.2203 -0.0540 -0.1679 161 LEU B CD2 5508 N N . PRO B 162 ? 0.4990 0.8822 0.4902 0.1249 -0.0273 -0.1328 162 PRO B N 5509 C CA . PRO B 162 ? 0.4879 0.8920 0.4896 0.1026 -0.0162 -0.1288 162 PRO B CA 5510 C C . PRO B 162 ? 0.5487 1.0018 0.5646 0.1007 -0.0080 -0.1372 162 PRO B C 5511 O O . PRO B 162 ? 0.5469 1.0322 0.5738 0.1150 -0.0128 -0.1482 162 PRO B O 5512 C CB . PRO B 162 ? 0.5038 0.9040 0.5101 0.0953 -0.0211 -0.1263 162 PRO B CB 5513 C CG . PRO B 162 ? 0.5516 0.9119 0.5434 0.1080 -0.0321 -0.1235 162 PRO B CG 5514 C CD . PRO B 162 ? 0.5075 0.8712 0.4946 0.1300 -0.0378 -0.1315 162 PRO B CD 5515 N N . GLY B 163 ? 0.4950 0.9522 0.5090 0.0842 0.0041 -0.1325 163 GLY B N 5516 C CA . GLY B 163 ? 0.4959 0.9968 0.5203 0.0790 0.0144 -0.1394 163 GLY B CA 5517 C C . GLY B 163 ? 0.5862 1.0872 0.6021 0.0902 0.0176 -0.1425 163 GLY B C 5518 O O . GLY B 163 ? 0.5972 1.1237 0.6153 0.0811 0.0291 -0.1447 163 GLY B O 5519 N N . SER B 164 ? 0.5497 1.0209 0.5542 0.1091 0.0078 -0.1428 164 SER B N 5520 C CA . SER B 164 ? 0.5581 1.0256 0.5525 0.1207 0.0096 -0.1462 164 SER B CA 5521 C C . SER B 164 ? 0.6052 1.0461 0.5852 0.1058 0.0175 -0.1356 164 SER B C 5522 O O . SER B 164 ? 0.5763 0.9904 0.5511 0.0920 0.0177 -0.1255 164 SER B O 5523 C CB . SER B 164 ? 0.5953 1.0354 0.5799 0.1435 -0.0035 -0.1498 164 SER B CB 5524 O OG . SER B 164 ? 0.6230 1.0156 0.5940 0.1382 -0.0081 -0.1397 164 SER B OG 5525 N N . ARG B 165 ? 0.5856 1.0334 0.5580 0.1098 0.0232 -0.1384 165 ARG B N 5526 C CA . ARG B 165 ? 0.5956 1.0173 0.5519 0.0987 0.0292 -0.1291 165 ARG B CA 5527 C C . ARG B 165 ? 0.6334 1.0150 0.5763 0.1108 0.0193 -0.1268 165 ARG B C 5528 O O . ARG B 165 ? 0.6261 0.9772 0.5578 0.1019 0.0195 -0.1179 165 ARG B O 5529 C CB . ARG B 165 ? 0.6512 1.0980 0.6028 0.0968 0.0402 -0.1331 165 ARG B CB 5530 C CG . ARG B 165 ? 0.9363 1.4176 0.8967 0.0778 0.0532 -0.1332 165 ARG B CG 5531 C CD . ARG B 165 ? 1.2093 1.7203 1.1657 0.0771 0.0647 -0.1391 165 ARG B CD 5532 N NE . ARG B 165 ? 1.4206 1.9638 1.3882 0.0982 0.0611 -0.1535 165 ARG B NE 5533 C CZ . ARG B 165 ? 1.6897 2.2758 1.6635 0.0986 0.0711 -0.1631 165 ARG B CZ 5534 N NH1 . ARG B 165 ? 1.5702 2.1718 1.5392 0.0771 0.0862 -0.1592 165 ARG B NH1 5535 N NH2 . ARG B 165 ? 1.5711 2.1846 1.5548 0.1205 0.0662 -0.1769 165 ARG B NH2 5536 N N . GLU B 166 ? 0.5814 0.9631 0.5249 0.1311 0.0104 -0.1356 166 GLU B N 5537 C CA . GLU B 166 ? 0.5797 0.9258 0.5095 0.1436 0.0012 -0.1360 166 GLU B CA 5538 C C . GLU B 166 ? 0.5722 0.8833 0.4993 0.1414 -0.0077 -0.1301 166 GLU B C 5539 O O . GLU B 166 ? 0.5656 0.8448 0.4809 0.1425 -0.0121 -0.1271 166 GLU B O 5540 C CB . GLU B 166 ? 0.6115 0.9684 0.5394 0.1661 -0.0043 -0.1482 166 GLU B CB 5541 C CG . GLU B 166 ? 0.6890 1.0822 0.6193 0.1699 0.0047 -0.1556 166 GLU B CG 5542 C CD . GLU B 166 ? 0.9247 1.3655 0.8731 0.1721 0.0092 -0.1637 166 GLU B CD 5543 O OE1 . GLU B 166 ? 0.7430 1.1916 0.7035 0.1660 0.0071 -0.1617 166 GLU B OE1 5544 O OE2 . GLU B 166 ? 0.8943 1.3667 0.8452 0.1795 0.0152 -0.1727 166 GLU B OE2 5545 N N . ALA B 167 ? 0.4958 0.8139 0.4333 0.1383 -0.0104 -0.1292 167 ALA B N 5546 C CA . ALA B 167 ? 0.4844 0.7715 0.4188 0.1350 -0.0177 -0.1235 167 ALA B CA 5547 C C . ALA B 167 ? 0.5211 0.8209 0.4670 0.1194 -0.0136 -0.1181 167 ALA B C 5548 O O . ALA B 167 ? 0.5185 0.8287 0.4720 0.1237 -0.0183 -0.1212 167 ALA B O 5549 C CB . ALA B 167 ? 0.4974 0.7729 0.4273 0.1532 -0.0289 -0.1302 167 ALA B CB 5550 N N . PRO B 168 ? 0.4856 0.7846 0.4314 0.1018 -0.0050 -0.1104 168 PRO B N 5551 C CA . PRO B 168 ? 0.4861 0.7969 0.4413 0.0865 -0.0006 -0.1060 168 PRO B CA 5552 C C . PRO B 168 ? 0.5408 0.8263 0.4952 0.0816 -0.0066 -0.1007 168 PRO B C 5553 O O . PRO B 168 ? 0.5375 0.8337 0.5000 0.0718 -0.0050 -0.0989 168 PRO B O 5554 C CB . PRO B 168 ? 0.5072 0.8182 0.4571 0.0710 0.0097 -0.0996 168 PRO B CB 5555 C CG . PRO B 168 ? 0.5571 0.8408 0.4932 0.0768 0.0073 -0.0972 168 PRO B CG 5556 C CD . PRO B 168 ? 0.5061 0.7934 0.4415 0.0959 0.0006 -0.1060 168 PRO B CD 5557 N N . GLY B 169 ? 0.4852 0.7381 0.4295 0.0874 -0.0130 -0.0986 169 GLY B N 5558 C CA . GLY B 169 ? 0.4640 0.6914 0.4057 0.0822 -0.0177 -0.0937 169 GLY B CA 5559 C C . GLY B 169 ? 0.4988 0.7074 0.4362 0.0683 -0.0131 -0.0857 169 GLY B C 5560 O O . GLY B 169 ? 0.4903 0.7064 0.4265 0.0615 -0.0062 -0.0831 169 GLY B O 5561 N N . ASN B 170 ? 0.4554 0.6385 0.3889 0.0648 -0.0170 -0.0822 170 ASN B N 5562 C CA . ASN B 170 ? 0.4428 0.6080 0.3731 0.0535 -0.0140 -0.0758 170 ASN B CA 5563 C C . ASN B 170 ? 0.4666 0.6223 0.3901 0.0545 -0.0123 -0.0748 170 ASN B C 5564 O O . ASN B 170 ? 0.4581 0.6039 0.3790 0.0463 -0.0093 -0.0700 170 ASN B O 5565 C CB . ASN B 170 ? 0.4210 0.5973 0.3564 0.0404 -0.0079 -0.0714 170 ASN B CB 5566 C CG . ASN B 170 ? 0.5478 0.7318 0.4898 0.0378 -0.0103 -0.0724 170 ASN B CG 5567 O OD1 . ASN B 170 ? 0.4981 0.6675 0.4380 0.0413 -0.0160 -0.0728 170 ASN B OD1 5568 N ND2 . ASN B 170 ? 0.3894 0.5962 0.3384 0.0308 -0.0059 -0.0728 170 ASN B ND2 5569 N N . VAL B 171 ? 0.4085 0.5650 0.3278 0.0653 -0.0150 -0.0797 171 VAL B N 5570 C CA . VAL B 171 ? 0.3985 0.5481 0.3108 0.0670 -0.0140 -0.0797 171 VAL B CA 5571 C C . VAL B 171 ? 0.4730 0.5989 0.3819 0.0634 -0.0174 -0.0781 171 VAL B C 5572 O O . VAL B 171 ? 0.4720 0.5935 0.3773 0.0604 -0.0156 -0.0757 171 VAL B O 5573 C CB . VAL B 171 ? 0.4253 0.5833 0.3332 0.0791 -0.0156 -0.0861 171 VAL B CB 5574 C CG1 . VAL B 171 ? 0.3998 0.5864 0.3132 0.0817 -0.0111 -0.0886 171 VAL B CG1 5575 C CG2 . VAL B 171 ? 0.4246 0.5672 0.3284 0.0889 -0.0233 -0.0916 171 VAL B CG2 5576 N N . GLY B 172 ? 0.4401 0.5524 0.3501 0.0627 -0.0215 -0.0790 172 GLY B N 5577 C CA . GLY B 172 ? 0.4205 0.5144 0.3293 0.0572 -0.0233 -0.0781 172 GLY B CA 5578 C C . GLY B 172 ? 0.4587 0.5525 0.3710 0.0479 -0.0194 -0.0727 172 GLY B C 5579 O O . GLY B 172 ? 0.4320 0.5178 0.3435 0.0453 -0.0198 -0.0725 172 GLY B O 5580 N N . LEU B 173 ? 0.4275 0.5311 0.3433 0.0430 -0.0158 -0.0689 173 LEU B N 5581 C CA . LEU B 173 ? 0.4214 0.5228 0.3379 0.0342 -0.0119 -0.0637 173 LEU B CA 5582 C C . LEU B 173 ? 0.4585 0.5636 0.3691 0.0344 -0.0087 -0.0614 173 LEU B C 5583 O O . LEU B 173 ? 0.4664 0.5620 0.3731 0.0307 -0.0076 -0.0582 173 LEU B O 5584 C CB . LEU B 173 ? 0.4103 0.5205 0.3312 0.0279 -0.0093 -0.0612 173 LEU B CB 5585 C CG . LEU B 173 ? 0.4575 0.5614 0.3816 0.0266 -0.0125 -0.0623 173 LEU B CG 5586 C CD1 . LEU B 173 ? 0.4407 0.5584 0.3693 0.0225 -0.0110 -0.0614 173 LEU B CD1 5587 C CD2 . LEU B 173 ? 0.4864 0.5738 0.4096 0.0207 -0.0126 -0.0605 173 LEU B CD2 5588 N N . LEU B 174 ? 0.4089 0.5265 0.3171 0.0395 -0.0073 -0.0632 174 LEU B N 5589 C CA . LEU B 174 ? 0.4246 0.5444 0.3239 0.0404 -0.0042 -0.0613 174 LEU B CA 5590 C C . LEU B 174 ? 0.4574 0.5655 0.3516 0.0467 -0.0089 -0.0637 174 LEU B C 5591 O O . LEU B 174 ? 0.4550 0.5570 0.3404 0.0465 -0.0080 -0.0608 174 LEU B O 5592 C CB . LEU B 174 ? 0.4371 0.5760 0.3352 0.0438 -0.0006 -0.0634 174 LEU B CB 5593 C CG . LEU B 174 ? 0.4934 0.6497 0.3971 0.0362 0.0050 -0.0619 174 LEU B CG 5594 C CD1 . LEU B 174 ? 0.4872 0.6670 0.3925 0.0415 0.0081 -0.0666 174 LEU B CD1 5595 C CD2 . LEU B 174 ? 0.5234 0.6739 0.4199 0.0242 0.0110 -0.0552 174 LEU B CD2 5596 N N . ASP B 175 ? 0.4164 0.5198 0.3150 0.0516 -0.0142 -0.0690 175 ASP B N 5597 C CA . ASP B 175 ? 0.4205 0.5148 0.3166 0.0557 -0.0190 -0.0727 175 ASP B CA 5598 C C . ASP B 175 ? 0.4774 0.5626 0.3753 0.0507 -0.0195 -0.0703 175 ASP B C 5599 O O . ASP B 175 ? 0.4692 0.5509 0.3619 0.0536 -0.0214 -0.0704 175 ASP B O 5600 C CB . ASP B 175 ? 0.4223 0.5115 0.3218 0.0589 -0.0237 -0.0791 175 ASP B CB 5601 C CG . ASP B 175 ? 0.4672 0.5627 0.3634 0.0664 -0.0245 -0.0829 175 ASP B CG 5602 O OD1 . ASP B 175 ? 0.4783 0.5848 0.3698 0.0702 -0.0217 -0.0821 175 ASP B OD1 5603 O OD2 . ASP B 175 ? 0.4786 0.5667 0.3750 0.0687 -0.0280 -0.0871 175 ASP B OD2 5604 N N . GLN B 176 ? 0.4521 0.5338 0.3565 0.0441 -0.0181 -0.0683 176 GLN B N 5605 C CA . GLN B 176 ? 0.4484 0.5224 0.3547 0.0397 -0.0180 -0.0665 176 GLN B CA 5606 C C . GLN B 176 ? 0.4941 0.5651 0.3914 0.0394 -0.0155 -0.0611 176 GLN B C 5607 O O . GLN B 176 ? 0.5064 0.5711 0.4001 0.0425 -0.0180 -0.0617 176 GLN B O 5608 C CB . GLN B 176 ? 0.4590 0.5303 0.3715 0.0327 -0.0160 -0.0650 176 GLN B CB 5609 C CG . GLN B 176 ? 0.4219 0.4902 0.3392 0.0322 -0.0186 -0.0697 176 GLN B CG 5610 C CD . GLN B 176 ? 0.5218 0.5871 0.4419 0.0262 -0.0168 -0.0674 176 GLN B CD 5611 O OE1 . GLN B 176 ? 0.4249 0.4907 0.3452 0.0217 -0.0139 -0.0632 176 GLN B OE1 5612 N NE2 . GLN B 176 ? 0.4442 0.5040 0.3643 0.0257 -0.0187 -0.0702 176 GLN B NE2 5613 N N . ARG B 177 ? 0.4553 0.5307 0.3478 0.0356 -0.0107 -0.0563 177 ARG B N 5614 C CA . ARG B 177 ? 0.4636 0.5330 0.3435 0.0329 -0.0071 -0.0505 177 ARG B CA 5615 C C . ARG B 177 ? 0.5280 0.5935 0.3959 0.0406 -0.0095 -0.0507 177 ARG B C 5616 O O . ARG B 177 ? 0.5319 0.5843 0.3882 0.0418 -0.0103 -0.0474 177 ARG B O 5617 C CB . ARG B 177 ? 0.4503 0.5293 0.3285 0.0257 -0.0007 -0.0469 177 ARG B CB 5618 C CG . ARG B 177 ? 0.5202 0.5903 0.3819 0.0204 0.0042 -0.0406 177 ARG B CG 5619 C CD . ARG B 177 ? 0.5077 0.5910 0.3697 0.0110 0.0114 -0.0385 177 ARG B CD 5620 N NE . ARG B 177 ? 0.5442 0.6274 0.4145 0.0023 0.0127 -0.0376 177 ARG B NE 5621 C CZ . ARG B 177 ? 0.6783 0.7774 0.5553 -0.0059 0.0172 -0.0379 177 ARG B CZ 5622 N NH1 . ARG B 177 ? 0.5289 0.6474 0.4067 -0.0065 0.0215 -0.0396 177 ARG B NH1 5623 N NH2 . ARG B 177 ? 0.5142 0.6119 0.3977 -0.0134 0.0175 -0.0375 177 ARG B NH2 5624 N N . LEU B 178 ? 0.4827 0.5578 0.3516 0.0467 -0.0112 -0.0549 178 LEU B N 5625 C CA . LEU B 178 ? 0.4846 0.5572 0.3420 0.0547 -0.0142 -0.0562 178 LEU B CA 5626 C C . LEU B 178 ? 0.5086 0.5731 0.3673 0.0605 -0.0213 -0.0597 178 LEU B C 5627 O O . LEU B 178 ? 0.4941 0.5498 0.3394 0.0657 -0.0238 -0.0579 178 LEU B O 5628 C CB . LEU B 178 ? 0.4823 0.5670 0.3416 0.0602 -0.0151 -0.0614 178 LEU B CB 5629 C CG . LEU B 178 ? 0.5422 0.6258 0.3874 0.0681 -0.0175 -0.0628 178 LEU B CG 5630 C CD1 . LEU B 178 ? 0.5581 0.6354 0.3844 0.0653 -0.0120 -0.0552 178 LEU B CD1 5631 C CD2 . LEU B 178 ? 0.5285 0.6238 0.3760 0.0731 -0.0178 -0.0684 178 LEU B CD2 5632 N N . ALA B 179 ? 0.4575 0.5248 0.3312 0.0593 -0.0243 -0.0650 179 ALA B N 5633 C CA . ALA B 179 ? 0.4581 0.5227 0.3368 0.0633 -0.0301 -0.0699 179 ALA B CA 5634 C C . ALA B 179 ? 0.5175 0.5710 0.3901 0.0628 -0.0296 -0.0654 179 ALA B C 5635 O O . ALA B 179 ? 0.5294 0.5791 0.3971 0.0704 -0.0349 -0.0677 179 ALA B O 5636 C CB . ALA B 179 ? 0.4511 0.5210 0.3458 0.0591 -0.0312 -0.0760 179 ALA B CB 5637 N N . LEU B 180 ? 0.4832 0.5311 0.3549 0.0547 -0.0239 -0.0594 180 LEU B N 5638 C CA . LEU B 180 ? 0.4853 0.5189 0.3482 0.0535 -0.0230 -0.0548 180 LEU B CA 5639 C C . LEU B 180 ? 0.5610 0.5817 0.4017 0.0585 -0.0236 -0.0495 180 LEU B C 5640 O O . LEU B 180 ? 0.5780 0.5851 0.4082 0.0647 -0.0274 -0.0488 180 LEU B O 5641 C CB . LEU B 180 ? 0.4716 0.5017 0.3366 0.0424 -0.0167 -0.0498 180 LEU B CB 5642 C CG . LEU B 180 ? 0.5296 0.5687 0.4122 0.0364 -0.0154 -0.0533 180 LEU B CG 5643 C CD1 . LEU B 180 ? 0.5127 0.5454 0.3943 0.0269 -0.0107 -0.0486 180 LEU B CD1 5644 C CD2 . LEU B 180 ? 0.5452 0.5881 0.4392 0.0403 -0.0199 -0.0605 180 LEU B CD2 5645 N N . GLN B 181 ? 0.5196 0.5438 0.3514 0.0564 -0.0198 -0.0461 181 GLN B N 5646 C CA . GLN B 181 ? 0.5428 0.5545 0.3507 0.0598 -0.0191 -0.0408 181 GLN B CA 5647 C C . GLN B 181 ? 0.5970 0.6070 0.3991 0.0735 -0.0279 -0.0456 181 GLN B C 5648 O O . GLN B 181 ? 0.6106 0.6031 0.3923 0.0800 -0.0312 -0.0422 181 GLN B O 5649 C CB A GLN B 181 ? 0.5611 0.5832 0.3649 0.0540 -0.0124 -0.0383 181 GLN B CB 5650 C CB B GLN B 181 ? 0.5577 0.5795 0.3611 0.0540 -0.0123 -0.0382 181 GLN B CB 5651 C CG A GLN B 181 ? 0.7010 0.7209 0.5012 0.0404 -0.0034 -0.0320 181 GLN B CG 5652 C CG B GLN B 181 ? 0.5941 0.6027 0.3702 0.0545 -0.0094 -0.0319 181 GLN B CG 5653 C CD A GLN B 181 ? 0.7424 0.7830 0.5507 0.0339 0.0033 -0.0329 181 GLN B CD 5654 C CD B GLN B 181 ? 0.8373 0.8204 0.5926 0.0492 -0.0067 -0.0240 181 GLN B CD 5655 O OE1 A GLN B 181 ? 0.6252 0.6820 0.4440 0.0396 0.0013 -0.0385 181 GLN B OE1 5656 O OE1 B GLN B 181 ? 0.8196 0.7822 0.5543 0.0574 -0.0117 -0.0216 181 GLN B OE1 5657 N NE2 A GLN B 181 ? 0.5672 0.6083 0.3717 0.0216 0.0110 -0.0283 181 GLN B NE2 5658 N NE2 B GLN B 181 ? 0.7091 0.6916 0.4674 0.0357 0.0007 -0.0202 181 GLN B NE2 5659 N N . TRP B 182 ? 0.5293 0.5567 0.3485 0.0778 -0.0323 -0.0539 182 TRP B N 5660 C CA . TRP B 182 ? 0.5251 0.5559 0.3431 0.0897 -0.0412 -0.0606 182 TRP B CA 5661 C C . TRP B 182 ? 0.5944 0.6179 0.4131 0.0963 -0.0472 -0.0631 182 TRP B C 5662 O O . TRP B 182 ? 0.6245 0.6411 0.4298 0.1076 -0.0542 -0.0644 182 TRP B O 5663 C CB . TRP B 182 ? 0.4951 0.5447 0.3323 0.0897 -0.0437 -0.0697 182 TRP B CB 5664 C CG . TRP B 182 ? 0.5136 0.5694 0.3502 0.1004 -0.0528 -0.0777 182 TRP B CG 5665 C CD1 . TRP B 182 ? 0.5606 0.6194 0.3870 0.1063 -0.0555 -0.0798 182 TRP B CD1 5666 C CD2 . TRP B 182 ? 0.5073 0.5693 0.3543 0.1066 -0.0605 -0.0857 182 TRP B CD2 5667 N NE1 . TRP B 182 ? 0.5579 0.6235 0.3872 0.1155 -0.0651 -0.0884 182 TRP B NE1 5668 C CE2 . TRP B 182 ? 0.5635 0.6326 0.4063 0.1158 -0.0682 -0.0925 182 TRP B CE2 5669 C CE3 . TRP B 182 ? 0.5120 0.5759 0.3717 0.1052 -0.0614 -0.0885 182 TRP B CE3 5670 C CZ2 . TRP B 182 ? 0.5560 0.6363 0.4085 0.1234 -0.0772 -0.1025 182 TRP B CZ2 5671 C CZ3 . TRP B 182 ? 0.5219 0.5972 0.3910 0.1131 -0.0696 -0.0984 182 TRP B CZ3 5672 C CH2 . TRP B 182 ? 0.5370 0.6216 0.4036 0.1217 -0.0775 -0.1056 182 TRP B CH2 5673 N N . VAL B 183 ? 0.5577 0.5828 0.3911 0.0902 -0.0449 -0.0641 183 VAL B N 5674 C CA . VAL B 183 ? 0.5389 0.5590 0.3746 0.0965 -0.0498 -0.0674 183 VAL B CA 5675 C C . VAL B 183 ? 0.6173 0.6118 0.4262 0.1022 -0.0508 -0.0596 183 VAL B C 5676 O O . VAL B 183 ? 0.6223 0.6103 0.4216 0.1154 -0.0589 -0.0627 183 VAL B O 5677 C CB . VAL B 183 ? 0.5501 0.5774 0.4058 0.0877 -0.0458 -0.0701 183 VAL B CB 5678 C CG1 . VAL B 183 ? 0.5419 0.5620 0.3971 0.0941 -0.0494 -0.0727 183 VAL B CG1 5679 C CG2 . VAL B 183 ? 0.5238 0.5723 0.4016 0.0841 -0.0466 -0.0789 183 VAL B CG2 5680 N N . GLN B 184 ? 0.5945 0.5740 0.3896 0.0922 -0.0429 -0.0500 184 GLN B N 5681 C CA . GLN B 184 ? 0.6126 0.5631 0.3780 0.0943 -0.0424 -0.0416 184 GLN B CA 5682 C C . GLN B 184 ? 0.6872 0.6272 0.4299 0.1070 -0.0491 -0.0407 184 GLN B C 5683 O O . GLN B 184 ? 0.7296 0.6486 0.4523 0.1181 -0.0554 -0.0393 184 GLN B O 5684 C CB . GLN B 184 ? 0.6224 0.5637 0.3777 0.0785 -0.0317 -0.0323 184 GLN B CB 5685 C CG . GLN B 184 ? 0.7263 0.6674 0.4942 0.0673 -0.0264 -0.0314 184 GLN B CG 5686 C CD . GLN B 184 ? 0.8736 0.7936 0.6318 0.0732 -0.0305 -0.0313 184 GLN B CD 5687 O OE1 . GLN B 184 ? 0.8931 0.7844 0.6236 0.0737 -0.0300 -0.0246 184 GLN B OE1 5688 N NE2 . GLN B 184 ? 0.5977 0.5306 0.3768 0.0785 -0.0347 -0.0393 184 GLN B NE2 5689 N N . GLU B 185 ? 0.6364 0.5909 0.3816 0.1069 -0.0485 -0.0423 185 GLU B N 5690 C CA . GLU B 185 ? 0.6654 0.6121 0.3886 0.1176 -0.0539 -0.0414 185 GLU B CA 5691 C C . GLU B 185 ? 0.7126 0.6702 0.4430 0.1343 -0.0665 -0.0515 185 GLU B C 5692 O O . GLU B 185 ? 0.7146 0.6580 0.4211 0.1467 -0.0736 -0.0503 185 GLU B O 5693 C CB . GLU B 185 ? 0.6759 0.6365 0.4004 0.1108 -0.0480 -0.0405 185 GLU B CB 5694 C CG . GLU B 185 ? 0.8648 0.8173 0.5776 0.0958 -0.0358 -0.0312 185 GLU B CG 5695 C CD . GLU B 185 ? 1.2235 1.1953 0.9422 0.0905 -0.0301 -0.0324 185 GLU B CD 5696 O OE1 . GLU B 185 ? 1.2508 1.2359 0.9753 0.0995 -0.0360 -0.0393 185 GLU B OE1 5697 O OE2 . GLU B 185 ? 1.1734 1.1482 0.8914 0.0775 -0.0198 -0.0275 185 GLU B OE2 5698 N N . ASN B 186 ? 0.6527 0.6362 0.4147 0.1340 -0.0693 -0.0618 186 ASN B N 5699 C CA . ASN B 186 ? 0.6478 0.6481 0.4203 0.1472 -0.0804 -0.0731 186 ASN B CA 5700 C C . ASN B 186 ? 0.6831 0.6956 0.4755 0.1531 -0.0862 -0.0824 186 ASN B C 5701 O O . ASN B 186 ? 0.6877 0.7144 0.4864 0.1653 -0.0963 -0.0923 186 ASN B O 5702 C CB . ASN B 186 ? 0.6297 0.6537 0.4203 0.1417 -0.0793 -0.0797 186 ASN B CB 5703 C CG . ASN B 186 ? 0.7626 0.7800 0.5350 0.1391 -0.0750 -0.0735 186 ASN B CG 5704 O OD1 . ASN B 186 ? 0.7173 0.7257 0.4680 0.1491 -0.0805 -0.0723 186 ASN B OD1 5705 N ND2 . ASN B 186 ? 0.5948 0.6164 0.3742 0.1261 -0.0652 -0.0695 186 ASN B ND2 5706 N N . ILE B 187 ? 0.6190 0.6297 0.4231 0.1444 -0.0801 -0.0808 187 ILE B N 5707 C CA . ILE B 187 ? 0.5929 0.6193 0.4185 0.1487 -0.0843 -0.0909 187 ILE B CA 5708 C C . ILE B 187 ? 0.6480 0.6661 0.4608 0.1680 -0.0951 -0.0949 187 ILE B C 5709 O O . ILE B 187 ? 0.6343 0.6754 0.4669 0.1755 -0.1015 -0.1073 187 ILE B O 5710 C CB . ILE B 187 ? 0.5959 0.6221 0.4358 0.1354 -0.0753 -0.0886 187 ILE B CB 5711 C CG1 . ILE B 187 ? 0.5593 0.6133 0.4295 0.1331 -0.0764 -0.1011 187 ILE B CG1 5712 C CG2 . ILE B 187 ? 0.6342 0.6330 0.4550 0.1376 -0.0735 -0.0808 187 ILE B CG2 5713 C CD1 . ILE B 187 ? 0.4999 0.5765 0.3882 0.1248 -0.0753 -0.1075 187 ILE B CD1 5714 N N . ALA B 188 ? 0.6433 0.6296 0.4227 0.1761 -0.0974 -0.0854 188 ALA B N 5715 C CA . ALA B 188 ? 0.6675 0.6408 0.4292 0.1971 -0.1091 -0.0887 188 ALA B CA 5716 C C . ALA B 188 ? 0.6984 0.6954 0.4681 0.2119 -0.1212 -0.1005 188 ALA B C 5717 O O . ALA B 188 ? 0.7032 0.7074 0.4755 0.2290 -0.1317 -0.1097 188 ALA B O 5718 C CB . ALA B 188 ? 0.7155 0.6463 0.4345 0.2014 -0.1091 -0.0753 188 ALA B CB 5719 N N . ALA B 189 ? 0.6411 0.6525 0.4163 0.2057 -0.1200 -0.1016 189 ALA B N 5720 C CA . ALA B 189 ? 0.6393 0.6742 0.4223 0.2175 -0.1312 -0.1133 189 ALA B CA 5721 C C . ALA B 189 ? 0.6655 0.7390 0.4866 0.2167 -0.1343 -0.1295 189 ALA B C 5722 O O . ALA B 189 ? 0.6708 0.7660 0.5004 0.2290 -0.1453 -0.1416 189 ALA B O 5723 C CB . ALA B 189 ? 0.6425 0.6808 0.4213 0.2086 -0.1275 -0.1101 189 ALA B CB 5724 N N . PHE B 190 ? 0.6153 0.6974 0.4582 0.2020 -0.1246 -0.1299 190 PHE B N 5725 C CA . PHE B 190 ? 0.5976 0.7139 0.4751 0.1974 -0.1246 -0.1441 190 PHE B CA 5726 C C . PHE B 190 ? 0.6733 0.7898 0.5557 0.2063 -0.1265 -0.1482 190 PHE B C 5727 O O . PHE B 190 ? 0.6753 0.8202 0.5857 0.2021 -0.1252 -0.1599 190 PHE B O 5728 C CB . PHE B 190 ? 0.5844 0.7081 0.4803 0.1742 -0.1118 -0.1416 190 PHE B CB 5729 C CG . PHE B 190 ? 0.5886 0.7130 0.4813 0.1659 -0.1096 -0.1390 190 PHE B CG 5730 C CD1 . PHE B 190 ? 0.6089 0.7080 0.4792 0.1617 -0.1041 -0.1252 190 PHE B CD1 5731 C CD2 . PHE B 190 ? 0.6052 0.7562 0.5171 0.1618 -0.1129 -0.1511 190 PHE B CD2 5732 C CE1 . PHE B 190 ? 0.6208 0.7218 0.4880 0.1556 -0.1022 -0.1238 190 PHE B CE1 5733 C CE2 . PHE B 190 ? 0.6293 0.7787 0.5365 0.1549 -0.1112 -0.1492 190 PHE B CE2 5734 C CZ . PHE B 190 ? 0.6034 0.7283 0.4885 0.1528 -0.1060 -0.1357 190 PHE B CZ 5735 N N . GLY B 191 ? 0.6545 0.7381 0.5084 0.2173 -0.1288 -0.1385 191 GLY B N 5736 C CA . GLY B 191 ? 0.6539 0.7297 0.5060 0.2271 -0.1307 -0.1407 191 GLY B CA 5737 C C . GLY B 191 ? 0.7029 0.7641 0.5578 0.2106 -0.1178 -0.1324 191 GLY B C 5738 O O . GLY B 191 ? 0.7036 0.7635 0.5628 0.2155 -0.1176 -0.1361 191 GLY B O 5739 N N . GLY B 192 ? 0.6468 0.6994 0.5002 0.1915 -0.1074 -0.1223 192 GLY B N 5740 C CA . GLY B 192 ? 0.6242 0.6637 0.4795 0.1753 -0.0956 -0.1141 192 GLY B CA 5741 C C . GLY B 192 ? 0.7075 0.7061 0.5296 0.1776 -0.0940 -0.1007 192 GLY B C 5742 O O . GLY B 192 ? 0.7567 0.7350 0.5528 0.1851 -0.0984 -0.0941 192 GLY B O 5743 N N . ASP B 193 ? 0.6644 0.6492 0.4854 0.1705 -0.0876 -0.0967 193 ASP B N 5744 C CA . ASP B 193 ? 0.6777 0.6223 0.4673 0.1695 -0.0849 -0.0845 193 ASP B CA 5745 C C . ASP B 193 ? 0.6945 0.6310 0.4813 0.1479 -0.0733 -0.0733 193 ASP B C 5746 O O . ASP B 193 ? 0.6567 0.6036 0.4616 0.1344 -0.0656 -0.0738 193 ASP B O 5747 C CB . ASP B 193 ? 0.7067 0.6412 0.4966 0.1735 -0.0846 -0.0876 193 ASP B CB 5748 C CG . ASP B 193 ? 0.7832 0.6725 0.5375 0.1755 -0.0840 -0.0771 193 ASP B CG 5749 O OD1 . ASP B 193 ? 0.8017 0.6673 0.5314 0.1696 -0.0816 -0.0658 193 ASP B OD1 5750 O OD2 . ASP B 193 ? 0.8589 0.7361 0.6090 0.1824 -0.0857 -0.0804 193 ASP B OD2 5751 N N . PRO B 194 ? 0.6643 0.5832 0.4283 0.1447 -0.0717 -0.0636 194 PRO B N 5752 C CA . PRO B 194 ? 0.6465 0.5627 0.4105 0.1247 -0.0605 -0.0546 194 PRO B CA 5753 C C . PRO B 194 ? 0.7262 0.6188 0.4789 0.1139 -0.0536 -0.0475 194 PRO B C 5754 O O . PRO B 194 ? 0.7111 0.6080 0.4708 0.0971 -0.0446 -0.0427 194 PRO B O 5755 C CB . PRO B 194 ? 0.6783 0.5816 0.4181 0.1264 -0.0611 -0.0474 194 PRO B CB 5756 C CG . PRO B 194 ? 0.7584 0.6386 0.4721 0.1454 -0.0714 -0.0478 194 PRO B CG 5757 C CD . PRO B 194 ? 0.6913 0.5932 0.4281 0.1589 -0.0797 -0.0608 194 PRO B CD 5758 N N . MET B 195 ? 0.7255 0.5941 0.4613 0.1244 -0.0584 -0.0478 195 MET B N 5759 C CA . MET B 195 ? 0.7590 0.6019 0.4817 0.1159 -0.0533 -0.0425 195 MET B CA 5760 C C . MET B 195 ? 0.7662 0.6271 0.5155 0.1125 -0.0511 -0.0502 195 MET B C 5761 O O . MET B 195 ? 0.7631 0.6051 0.5039 0.1058 -0.0473 -0.0473 195 MET B O 5762 C CB . MET B 195 ? 0.8463 0.6482 0.5320 0.1289 -0.0596 -0.0384 195 MET B CB 5763 C CG . MET B 195 ? 0.9446 0.7199 0.5973 0.1258 -0.0582 -0.0277 195 MET B CG 5764 S SD . MET B 195 ? 1.1007 0.8203 0.7043 0.1411 -0.0660 -0.0224 195 MET B SD 5765 C CE . MET B 195 ? 1.0743 0.7653 0.6665 0.1205 -0.0556 -0.0157 195 MET B CE 5766 N N . SER B 196 ? 0.6712 0.5678 0.4510 0.1159 -0.0531 -0.0601 196 SER B N 5767 C CA . SER B 196 ? 0.6481 0.5641 0.4531 0.1110 -0.0499 -0.0676 196 SER B CA 5768 C C . SER B 196 ? 0.6322 0.5822 0.4655 0.1019 -0.0465 -0.0720 196 SER B C 5769 O O . SER B 196 ? 0.6072 0.5818 0.4588 0.1092 -0.0507 -0.0819 196 SER B O 5770 C CB . SER B 196 ? 0.6898 0.6092 0.4986 0.1283 -0.0572 -0.0779 196 SER B CB 5771 O OG . SER B 196 ? 0.7024 0.6414 0.5347 0.1214 -0.0525 -0.0849 196 SER B OG 5772 N N . VAL B 197 ? 0.5688 0.5193 0.4040 0.0859 -0.0391 -0.0650 197 VAL B N 5773 C CA . VAL B 197 ? 0.5254 0.5016 0.3822 0.0770 -0.0357 -0.0677 197 VAL B CA 5774 C C . VAL B 197 ? 0.5447 0.5265 0.4145 0.0636 -0.0289 -0.0677 197 VAL B C 5775 O O . VAL B 197 ? 0.5595 0.5265 0.4193 0.0545 -0.0243 -0.0607 197 VAL B O 5776 C CB . VAL B 197 ? 0.5551 0.5306 0.4036 0.0728 -0.0342 -0.0611 197 VAL B CB 5777 C CG1 . VAL B 197 ? 0.5166 0.5139 0.3846 0.0634 -0.0305 -0.0633 197 VAL B CG1 5778 C CG2 . VAL B 197 ? 0.5643 0.5371 0.4009 0.0866 -0.0415 -0.0623 197 VAL B CG2 5779 N N . THR B 198 ? 0.4764 0.4793 0.3672 0.0618 -0.0284 -0.0758 198 THR B N 5780 C CA . THR B 198 ? 0.4628 0.4713 0.3648 0.0497 -0.0224 -0.0764 198 THR B CA 5781 C C . THR B 198 ? 0.5004 0.5243 0.4144 0.0418 -0.0203 -0.0769 198 THR B C 5782 O O . THR B 198 ? 0.5045 0.5435 0.4286 0.0455 -0.0231 -0.0834 198 THR B O 5783 C CB . THR B 198 ? 0.4554 0.4724 0.3683 0.0530 -0.0226 -0.0854 198 THR B CB 5784 O OG1 . THR B 198 ? 0.5334 0.5331 0.4325 0.0620 -0.0253 -0.0848 198 THR B OG1 5785 C CG2 . THR B 198 ? 0.4371 0.4578 0.3586 0.0403 -0.0162 -0.0859 198 THR B CG2 5786 N N . LEU B 199 ? 0.4553 0.4752 0.3674 0.0315 -0.0158 -0.0709 199 LEU B N 5787 C CA . LEU B 199 ? 0.4348 0.4663 0.3562 0.0252 -0.0143 -0.0717 199 LEU B CA 5788 C C . LEU B 199 ? 0.4786 0.5152 0.4101 0.0184 -0.0113 -0.0764 199 LEU B C 5789 O O . LEU B 199 ? 0.4701 0.4994 0.3990 0.0147 -0.0087 -0.0752 199 LEU B O 5790 C CB . LEU B 199 ? 0.4274 0.4545 0.3426 0.0185 -0.0115 -0.0642 199 LEU B CB 5791 C CG . LEU B 199 ? 0.4956 0.5168 0.3985 0.0215 -0.0119 -0.0583 199 LEU B CG 5792 C CD1 . LEU B 199 ? 0.4794 0.5040 0.3812 0.0140 -0.0085 -0.0534 199 LEU B CD1 5793 C CD2 . LEU B 199 ? 0.4775 0.5045 0.3796 0.0308 -0.0163 -0.0612 199 LEU B CD2 5794 N N . PHE B 200 ? 0.4465 0.4938 0.3873 0.0158 -0.0113 -0.0816 200 PHE B N 5795 C CA . PHE B 200 ? 0.4265 0.4759 0.3733 0.0072 -0.0075 -0.0850 200 PHE B CA 5796 C C . PHE B 200 ? 0.4634 0.5145 0.4113 0.0023 -0.0075 -0.0851 200 PHE B C 5797 O O . PHE B 200 ? 0.4529 0.5087 0.4017 0.0066 -0.0106 -0.0865 200 PHE B O 5798 C CB . PHE B 200 ? 0.4353 0.4939 0.3909 0.0080 -0.0064 -0.0938 200 PHE B CB 5799 C CG . PHE B 200 ? 0.4484 0.5230 0.4146 0.0105 -0.0086 -0.1028 200 PHE B CG 5800 C CD1 . PHE B 200 ? 0.4448 0.5245 0.4109 0.0199 -0.0142 -0.1040 200 PHE B CD1 5801 C CD2 . PHE B 200 ? 0.4643 0.5499 0.4402 0.0033 -0.0049 -0.1111 200 PHE B CD2 5802 C CE1 . PHE B 200 ? 0.4527 0.5492 0.4294 0.0222 -0.0169 -0.1136 200 PHE B CE1 5803 C CE2 . PHE B 200 ? 0.4880 0.5914 0.4751 0.0042 -0.0067 -0.1208 200 PHE B CE2 5804 C CZ . PHE B 200 ? 0.4556 0.5649 0.4436 0.0140 -0.0132 -0.1223 200 PHE B CZ 5805 N N . GLY B 201 ? 0.4154 0.4600 0.3603 -0.0056 -0.0045 -0.0828 201 GLY B N 5806 C CA . GLY B 201 ? 0.4078 0.4490 0.3499 -0.0093 -0.0050 -0.0825 201 GLY B CA 5807 C C . GLY B 201 ? 0.4755 0.5083 0.4134 -0.0182 -0.0016 -0.0824 201 GLY B C 5808 O O . GLY B 201 ? 0.4678 0.4980 0.4046 -0.0212 0.0012 -0.0812 201 GLY B O 5809 N N . GLU B 202 ? 0.4370 0.4634 0.3702 -0.0222 -0.0018 -0.0837 202 GLU B N 5810 C CA . GLU B 202 ? 0.4354 0.4499 0.3602 -0.0306 0.0011 -0.0830 202 GLU B CA 5811 C C . GLU B 202 ? 0.5088 0.5109 0.4222 -0.0285 -0.0024 -0.0786 202 GLU B C 5812 O O . GLU B 202 ? 0.4914 0.4936 0.4038 -0.0234 -0.0059 -0.0791 202 GLU B O 5813 C CB . GLU B 202 ? 0.4532 0.4685 0.3801 -0.0398 0.0055 -0.0901 202 GLU B CB 5814 C CG . GLU B 202 ? 0.5113 0.5119 0.4263 -0.0502 0.0098 -0.0893 202 GLU B CG 5815 C CD . GLU B 202 ? 0.6865 0.6680 0.5863 -0.0533 0.0078 -0.0875 202 GLU B CD 5816 O OE1 . GLU B 202 ? 0.5743 0.5561 0.4748 -0.0480 0.0036 -0.0883 202 GLU B OE1 5817 O OE2 . GLU B 202 ? 0.5690 0.5336 0.4542 -0.0605 0.0102 -0.0854 202 GLU B OE2 5818 N N . SER B 203 ? 0.4627 0.4548 0.3670 -0.0312 -0.0020 -0.0745 203 SER B N 5819 C CA . SER B 203 ? 0.4620 0.4422 0.3541 -0.0278 -0.0061 -0.0708 203 SER B CA 5820 C C . SER B 203 ? 0.4827 0.4732 0.3793 -0.0177 -0.0107 -0.0684 203 SER B C 5821 O O . SER B 203 ? 0.4800 0.4817 0.3839 -0.0160 -0.0101 -0.0661 203 SER B O 5822 C CB . SER B 203 ? 0.5251 0.4884 0.4051 -0.0318 -0.0063 -0.0733 203 SER B CB 5823 O OG . SER B 203 ? 0.6891 0.6371 0.5538 -0.0282 -0.0106 -0.0696 203 SER B OG 5824 N N . ALA B 204 ? 0.4487 0.4357 0.3409 -0.0114 -0.0147 -0.0694 204 ALA B N 5825 C CA . ALA B 204 ? 0.4345 0.4344 0.3319 -0.0020 -0.0180 -0.0682 204 ALA B CA 5826 C C . ALA B 204 ? 0.4662 0.4814 0.3757 -0.0012 -0.0156 -0.0687 204 ALA B C 5827 O O . ALA B 204 ? 0.4643 0.4913 0.3782 0.0029 -0.0159 -0.0663 204 ALA B O 5828 C CB . ALA B 204 ? 0.4581 0.4506 0.3478 0.0050 -0.0223 -0.0705 204 ALA B CB 5829 N N . GLY B 205 ? 0.4338 0.4487 0.3476 -0.0056 -0.0131 -0.0721 205 GLY B N 5830 C CA . GLY B 205 ? 0.4248 0.4513 0.3476 -0.0037 -0.0119 -0.0730 205 GLY B CA 5831 C C . GLY B 205 ? 0.4661 0.4958 0.3915 -0.0060 -0.0094 -0.0695 205 GLY B C 5832 O O . GLY B 205 ? 0.4619 0.4981 0.3896 -0.0025 -0.0093 -0.0674 205 GLY B O 5833 N N . ALA B 206 ? 0.4290 0.4517 0.3514 -0.0122 -0.0073 -0.0688 206 ALA B N 5834 C CA . ALA B 206 ? 0.4102 0.4332 0.3331 -0.0151 -0.0051 -0.0660 206 ALA B CA 5835 C C . ALA B 206 ? 0.4537 0.4803 0.3742 -0.0134 -0.0068 -0.0614 206 ALA B C 5836 O O . ALA B 206 ? 0.4451 0.4753 0.3668 -0.0140 -0.0056 -0.0589 206 ALA B O 5837 C CB . ALA B 206 ? 0.4156 0.4303 0.3348 -0.0223 -0.0024 -0.0674 206 ALA B CB 5838 N N . ALA B 207 ? 0.4337 0.4594 0.3502 -0.0111 -0.0097 -0.0609 207 ALA B N 5839 C CA . ALA B 207 ? 0.4291 0.4636 0.3456 -0.0085 -0.0117 -0.0583 207 ALA B CA 5840 C C . ALA B 207 ? 0.4689 0.5149 0.3901 -0.0046 -0.0110 -0.0575 207 ALA B C 5841 O O . ALA B 207 ? 0.4584 0.5126 0.3811 -0.0068 -0.0096 -0.0550 207 ALA B O 5842 C CB . ALA B 207 ? 0.4477 0.4791 0.3585 -0.0035 -0.0161 -0.0594 207 ALA B CB 5843 N N . SER B 208 ? 0.4109 0.4566 0.3328 0.0002 -0.0117 -0.0597 208 SER B N 5844 C CA . SER B 208 ? 0.3956 0.4497 0.3192 0.0044 -0.0111 -0.0591 208 SER B CA 5845 C C . SER B 208 ? 0.4362 0.4887 0.3595 0.0007 -0.0081 -0.0564 208 SER B C 5846 O O . SER B 208 ? 0.4320 0.4900 0.3533 -0.0001 -0.0063 -0.0534 208 SER B O 5847 C CB . SER B 208 ? 0.4054 0.4575 0.3290 0.0095 -0.0131 -0.0628 208 SER B CB 5848 O OG . SER B 208 ? 0.4590 0.5095 0.3798 0.0137 -0.0162 -0.0653 208 SER B OG 5849 N N . VAL B 209 ? 0.3943 0.4385 0.3182 -0.0016 -0.0074 -0.0580 209 VAL B N 5850 C CA . VAL B 209 ? 0.4023 0.4410 0.3236 -0.0034 -0.0054 -0.0561 209 VAL B CA 5851 C C . VAL B 209 ? 0.4498 0.4876 0.3675 -0.0098 -0.0031 -0.0519 209 VAL B C 5852 O O . VAL B 209 ? 0.4685 0.5037 0.3806 -0.0112 -0.0014 -0.0487 209 VAL B O 5853 C CB . VAL B 209 ? 0.4412 0.4739 0.3652 -0.0043 -0.0050 -0.0600 209 VAL B CB 5854 C CG1 . VAL B 209 ? 0.4402 0.4650 0.3597 -0.0051 -0.0035 -0.0585 209 VAL B CG1 5855 C CG2 . VAL B 209 ? 0.4414 0.4783 0.3700 0.0010 -0.0071 -0.0652 209 VAL B CG2 5856 N N . GLY B 210 ? 0.3991 0.4380 0.3185 -0.0142 -0.0033 -0.0522 210 GLY B N 5857 C CA . GLY B 210 ? 0.4066 0.4477 0.3241 -0.0209 -0.0019 -0.0495 210 GLY B CA 5858 C C . GLY B 210 ? 0.4600 0.5135 0.3780 -0.0214 -0.0011 -0.0476 210 GLY B C 5859 O O . GLY B 210 ? 0.4737 0.5280 0.3884 -0.0282 0.0017 -0.0451 210 GLY B O 5860 N N . MET B 211 ? 0.4339 0.4972 0.3551 -0.0149 -0.0029 -0.0491 211 MET B N 5861 C CA . MET B 211 ? 0.4636 0.5417 0.3858 -0.0146 -0.0013 -0.0482 211 MET B CA 5862 C C . MET B 211 ? 0.4932 0.5670 0.4086 -0.0157 0.0021 -0.0452 211 MET B C 5863 O O . MET B 211 ? 0.4881 0.5698 0.4010 -0.0215 0.0058 -0.0432 211 MET B O 5864 C CB . MET B 211 ? 0.4988 0.5879 0.4251 -0.0062 -0.0046 -0.0515 211 MET B CB 5865 C CG . MET B 211 ? 0.5672 0.6639 0.4972 -0.0065 -0.0076 -0.0535 211 MET B CG 5866 S SD . MET B 211 ? 0.6617 0.7594 0.5916 0.0054 -0.0131 -0.0575 211 MET B SD 5867 C CE . MET B 211 ? 0.6072 0.6933 0.5335 0.0045 -0.0173 -0.0582 211 MET B CE 5868 N N . HIS B 212 ? 0.4253 0.4859 0.3364 -0.0113 0.0010 -0.0451 212 HIS B N 5869 C CA . HIS B 212 ? 0.4360 0.4879 0.3370 -0.0111 0.0031 -0.0419 212 HIS B CA 5870 C C . HIS B 212 ? 0.5160 0.5550 0.4088 -0.0200 0.0061 -0.0384 212 HIS B C 5871 O O . HIS B 212 ? 0.5317 0.5659 0.4139 -0.0248 0.0096 -0.0346 212 HIS B O 5872 C CB . HIS B 212 ? 0.4358 0.4795 0.3352 -0.0022 -0.0003 -0.0440 212 HIS B CB 5873 C CG . HIS B 212 ? 0.4538 0.5081 0.3581 0.0052 -0.0028 -0.0473 212 HIS B CG 5874 N ND1 . HIS B 212 ? 0.4770 0.5397 0.3772 0.0075 -0.0014 -0.0461 212 HIS B ND1 5875 C CD2 . HIS B 212 ? 0.4509 0.5073 0.3624 0.0098 -0.0063 -0.0521 212 HIS B CD2 5876 C CE1 . HIS B 212 ? 0.4520 0.5213 0.3572 0.0145 -0.0046 -0.0504 212 HIS B CE1 5877 N NE2 . HIS B 212 ? 0.4457 0.5106 0.3573 0.0156 -0.0077 -0.0539 212 HIS B NE2 5878 N N . ILE B 213 ? 0.4687 0.5015 0.3649 -0.0233 0.0052 -0.0398 213 ILE B N 5879 C CA . ILE B 213 ? 0.4646 0.4842 0.3525 -0.0321 0.0077 -0.0373 213 ILE B CA 5880 C C . ILE B 213 ? 0.5254 0.5561 0.4129 -0.0430 0.0114 -0.0354 213 ILE B C 5881 O O . ILE B 213 ? 0.5543 0.5742 0.4305 -0.0517 0.0150 -0.0322 213 ILE B O 5882 C CB . ILE B 213 ? 0.4780 0.4917 0.3703 -0.0332 0.0060 -0.0401 213 ILE B CB 5883 C CG1 . ILE B 213 ? 0.4690 0.4728 0.3612 -0.0243 0.0036 -0.0429 213 ILE B CG1 5884 C CG2 . ILE B 213 ? 0.4779 0.4811 0.3629 -0.0439 0.0084 -0.0385 213 ILE B CG2 5885 C CD1 . ILE B 213 ? 0.4769 0.4792 0.3750 -0.0248 0.0027 -0.0468 213 ILE B CD1 5886 N N . LEU B 214 ? 0.4688 0.5211 0.3681 -0.0423 0.0105 -0.0380 214 LEU B N 5887 C CA . LEU B 214 ? 0.4699 0.5401 0.3733 -0.0514 0.0132 -0.0385 214 LEU B CA 5888 C C . LEU B 214 ? 0.5274 0.6119 0.4296 -0.0523 0.0170 -0.0377 214 LEU B C 5889 O O . LEU B 214 ? 0.5264 0.6290 0.4326 -0.0610 0.0203 -0.0389 214 LEU B O 5890 C CB . LEU B 214 ? 0.4537 0.5404 0.3696 -0.0486 0.0091 -0.0429 214 LEU B CB 5891 C CG . LEU B 214 ? 0.4925 0.5667 0.4083 -0.0496 0.0060 -0.0439 214 LEU B CG 5892 C CD1 . LEU B 214 ? 0.4981 0.5860 0.4222 -0.0456 0.0014 -0.0475 214 LEU B CD1 5893 C CD2 . LEU B 214 ? 0.5017 0.5645 0.4101 -0.0617 0.0089 -0.0423 214 LEU B CD2 5894 N N . SER B 215 ? 0.4930 0.5718 0.3901 -0.0437 0.0167 -0.0363 215 SER B N 5895 C CA . SER B 215 ? 0.4945 0.5854 0.3882 -0.0440 0.0207 -0.0355 215 SER B CA 5896 C C . SER B 215 ? 0.5866 0.6552 0.4612 -0.0475 0.0242 -0.0300 215 SER B C 5897 O O . SER B 215 ? 0.5762 0.6279 0.4438 -0.0384 0.0208 -0.0288 215 SER B O 5898 C CB . SER B 215 ? 0.4910 0.5941 0.3921 -0.0307 0.0171 -0.0390 215 SER B CB 5899 O OG . SER B 215 ? 0.5539 0.6748 0.4542 -0.0315 0.0214 -0.0396 215 SER B OG 5900 N N . LEU B 216 ? 0.6000 0.6681 0.4651 -0.0611 0.0308 -0.0271 216 LEU B N 5901 C CA . LEU B 216 ? 0.6399 0.6822 0.4818 -0.0668 0.0347 -0.0212 216 LEU B CA 5902 C C . LEU B 216 ? 0.6450 0.6779 0.4755 -0.0553 0.0333 -0.0189 216 LEU B C 5903 O O . LEU B 216 ? 0.6527 0.6581 0.4681 -0.0503 0.0304 -0.0157 216 LEU B O 5904 C CB . LEU B 216 ? 0.6769 0.7245 0.5107 -0.0850 0.0434 -0.0191 216 LEU B CB 5905 C CG . LEU B 216 ? 0.8012 0.8147 0.6124 -0.0964 0.0461 -0.0138 216 LEU B CG 5906 C CD1 . LEU B 216 ? 0.8141 0.8292 0.6335 -0.1075 0.0458 -0.0164 216 LEU B CD1 5907 C CD2 . LEU B 216 ? 0.8520 0.8560 0.6414 -0.1091 0.0547 -0.0089 216 LEU B CD2 5908 N N . PRO B 217 ? 0.5605 0.6143 0.3974 -0.0491 0.0340 -0.0213 217 PRO B N 5909 C CA . PRO B 217 ? 0.5598 0.6022 0.3839 -0.0380 0.0318 -0.0195 217 PRO B CA 5910 C C . PRO B 217 ? 0.5992 0.6282 0.4263 -0.0237 0.0230 -0.0213 217 PRO B C 5911 O O . PRO B 217 ? 0.6186 0.6320 0.4316 -0.0155 0.0202 -0.0194 217 PRO B O 5912 C CB . PRO B 217 ? 0.5580 0.6287 0.3916 -0.0343 0.0340 -0.0233 217 PRO B CB 5913 C CG . PRO B 217 ? 0.5917 0.6856 0.4358 -0.0474 0.0404 -0.0253 217 PRO B CG 5914 C CD . PRO B 217 ? 0.5481 0.6362 0.4018 -0.0512 0.0369 -0.0262 217 PRO B CD 5915 N N . SER B 218 ? 0.5342 0.5693 0.3786 -0.0211 0.0188 -0.0254 218 SER B N 5916 C CA . SER B 218 ? 0.5147 0.5399 0.3632 -0.0097 0.0116 -0.0282 218 SER B CA 5917 C C . SER B 218 ? 0.5835 0.5836 0.4205 -0.0107 0.0102 -0.0255 218 SER B C 5918 O O . SER B 218 ? 0.5499 0.5398 0.3845 -0.0005 0.0049 -0.0274 218 SER B O 5919 C CB . SER B 218 ? 0.5054 0.5456 0.3743 -0.0075 0.0085 -0.0335 218 SER B CB 5920 O OG . SER B 218 ? 0.5473 0.6063 0.4253 -0.0023 0.0076 -0.0371 218 SER B OG 5921 N N . ARG B 219 ? 0.5916 0.5825 0.4213 -0.0230 0.0148 -0.0221 219 ARG B N 5922 C CA A ARG B 219 ? 0.6024 0.5679 0.4204 -0.0247 0.0136 -0.0202 219 ARG B CA 5923 C CA B ARG B 219 ? 0.6086 0.5741 0.4263 -0.0250 0.0138 -0.0201 219 ARG B CA 5924 C C . ARG B 219 ? 0.6845 0.6234 0.4794 -0.0168 0.0110 -0.0168 219 ARG B C 5925 O O . ARG B 219 ? 0.7172 0.6390 0.5072 -0.0102 0.0068 -0.0181 219 ARG B O 5926 C CB A ARG B 219 ? 0.5974 0.5581 0.4108 -0.0408 0.0191 -0.0177 219 ARG B CB 5927 C CB B ARG B 219 ? 0.6298 0.5907 0.4425 -0.0416 0.0196 -0.0174 219 ARG B CB 5928 C CG A ARG B 219 ? 0.5340 0.5155 0.3691 -0.0453 0.0188 -0.0222 219 ARG B CG 5929 C CG B ARG B 219 ? 0.6772 0.6562 0.5107 -0.0462 0.0190 -0.0219 219 ARG B CG 5930 C CD A ARG B 219 ? 0.5438 0.5185 0.3867 -0.0383 0.0138 -0.0259 219 ARG B CD 5931 C CD B ARG B 219 ? 0.7977 0.7630 0.6335 -0.0421 0.0150 -0.0244 219 ARG B CD 5932 N NE A ARG B 219 ? 0.5446 0.4933 0.3731 -0.0420 0.0140 -0.0243 219 ARG B NE 5933 N NE B ARG B 219 ? 0.8704 0.8219 0.7000 -0.0283 0.0103 -0.0253 219 ARG B NE 5934 C CZ A ARG B 219 ? 0.5919 0.5357 0.4181 -0.0542 0.0168 -0.0238 219 ARG B CZ 5935 C CZ B ARG B 219 ? 0.9498 0.8750 0.7627 -0.0248 0.0086 -0.0239 219 ARG B CZ 5936 N NH1 A ARG B 219 ? 0.3941 0.3599 0.2330 -0.0636 0.0192 -0.0253 219 ARG B NH1 5937 N NH1 B ARG B 219 ? 0.4435 0.3609 0.2521 -0.0107 0.0035 -0.0256 219 ARG B NH1 5938 N NH2 A ARG B 219 ? 0.5887 0.5057 0.3993 -0.0564 0.0165 -0.0227 219 ARG B NH2 5939 N NH2 B ARG B 219 ? 0.9465 0.8528 0.7465 -0.0348 0.0113 -0.0213 219 ARG B NH2 5940 N N . SER B 220 ? 0.6452 0.5815 0.4262 -0.0154 0.0128 -0.0133 220 SER B N 5941 C CA . SER B 220 ? 0.6782 0.5879 0.4348 -0.0059 0.0091 -0.0100 220 SER B CA 5942 C C . SER B 220 ? 0.6997 0.6180 0.4663 0.0123 0.0006 -0.0156 220 SER B C 5943 O O . SER B 220 ? 0.7154 0.6151 0.4644 0.0235 -0.0046 -0.0146 220 SER B O 5944 C CB . SER B 220 ? 0.7601 0.6623 0.4950 -0.0123 0.0147 -0.0038 220 SER B CB 5945 O OG . SER B 220 ? 0.8628 0.7938 0.6117 -0.0112 0.0166 -0.0064 220 SER B OG 5946 N N . LEU B 221 ? 0.6118 0.5571 0.4050 0.0149 -0.0012 -0.0219 221 LEU B N 5947 C CA . LEU B 221 ? 0.5850 0.5416 0.3890 0.0290 -0.0083 -0.0282 221 LEU B CA 5948 C C . LEU B 221 ? 0.6006 0.5594 0.4189 0.0352 -0.0131 -0.0346 221 LEU B C 5949 O O . LEU B 221 ? 0.5805 0.5506 0.4093 0.0451 -0.0186 -0.0409 221 LEU B O 5950 C CB . LEU B 221 ? 0.5589 0.5415 0.3793 0.0278 -0.0069 -0.0313 221 LEU B CB 5951 C CG . LEU B 221 ? 0.5998 0.5868 0.4096 0.0222 -0.0013 -0.0268 221 LEU B CG 5952 C CD1 . LEU B 221 ? 0.5641 0.5766 0.3915 0.0225 -0.0006 -0.0313 221 LEU B CD1 5953 C CD2 . LEU B 221 ? 0.6144 0.5857 0.4006 0.0296 -0.0034 -0.0234 221 LEU B CD2 5954 N N . PHE B 222 ? 0.5507 0.4999 0.3693 0.0288 -0.0109 -0.0337 222 PHE B N 5955 C CA . PHE B 222 ? 0.5512 0.5032 0.3825 0.0337 -0.0142 -0.0401 222 PHE B CA 5956 C C . PHE B 222 ? 0.6275 0.5587 0.4477 0.0286 -0.0121 -0.0374 222 PHE B C 5957 O O . PHE B 222 ? 0.6324 0.5511 0.4395 0.0181 -0.0074 -0.0310 222 PHE B O 5958 C CB . PHE B 222 ? 0.5442 0.5202 0.3999 0.0291 -0.0129 -0.0452 222 PHE B CB 5959 C CG . PHE B 222 ? 0.5370 0.5171 0.3977 0.0158 -0.0072 -0.0421 222 PHE B CG 5960 C CD1 . PHE B 222 ? 0.5507 0.5394 0.4106 0.0094 -0.0037 -0.0383 222 PHE B CD1 5961 C CD2 . PHE B 222 ? 0.5288 0.5066 0.3956 0.0104 -0.0057 -0.0439 222 PHE B CD2 5962 C CE1 . PHE B 222 ? 0.5462 0.5419 0.4118 -0.0017 0.0006 -0.0367 222 PHE B CE1 5963 C CE2 . PHE B 222 ? 0.5539 0.5365 0.4249 -0.0011 -0.0016 -0.0416 222 PHE B CE2 5964 C CZ . PHE B 222 ? 0.5321 0.5247 0.4033 -0.0067 0.0011 -0.0383 222 PHE B CZ 5965 N N . HIS B 223 ? 0.5950 0.5233 0.4203 0.0355 -0.0154 -0.0430 223 HIS B N 5966 C CA . HIS B 223 ? 0.6115 0.5175 0.4243 0.0334 -0.0145 -0.0417 223 HIS B CA 5967 C C . HIS B 223 ? 0.6626 0.5788 0.4918 0.0277 -0.0122 -0.0465 223 HIS B C 5968 O O . HIS B 223 ? 0.6737 0.5737 0.4939 0.0213 -0.0097 -0.0446 223 HIS B O 5969 C CB . HIS B 223 ? 0.6438 0.5319 0.4416 0.0499 -0.0214 -0.0443 223 HIS B CB 5970 C CG . HIS B 223 ? 0.7017 0.5815 0.4833 0.0573 -0.0248 -0.0403 223 HIS B CG 5971 N ND1 . HIS B 223 ? 0.7546 0.6041 0.5066 0.0543 -0.0235 -0.0319 223 HIS B ND1 5972 C CD2 . HIS B 223 ? 0.7035 0.6014 0.4938 0.0658 -0.0288 -0.0435 223 HIS B CD2 5973 C CE1 . HIS B 223 ? 0.7513 0.6016 0.4945 0.0614 -0.0265 -0.0299 223 HIS B CE1 5974 N NE2 . HIS B 223 ? 0.7320 0.6112 0.4977 0.0690 -0.0302 -0.0369 223 HIS B NE2 5975 N N . ARG B 224 ? 0.6010 0.5420 0.4523 0.0297 -0.0128 -0.0529 224 ARG B N 5976 C CA . ARG B 224 ? 0.5782 0.5292 0.4439 0.0249 -0.0105 -0.0581 224 ARG B CA 5977 C C . ARG B 224 ? 0.5661 0.5400 0.4498 0.0194 -0.0088 -0.0601 224 ARG B C 5978 O O . ARG B 224 ? 0.5376 0.5214 0.4249 0.0230 -0.0107 -0.0600 224 ARG B O 5979 C CB . ARG B 224 ? 0.6127 0.5660 0.4830 0.0369 -0.0141 -0.0666 224 ARG B CB 5980 C CG . ARG B 224 ? 0.7938 0.7228 0.6472 0.0415 -0.0152 -0.0661 224 ARG B CG 5981 C CD . ARG B 224 ? 0.8052 0.7371 0.6613 0.0571 -0.0201 -0.0751 224 ARG B CD 5982 N NE . ARG B 224 ? 0.9290 0.8631 0.7812 0.0707 -0.0265 -0.0767 224 ARG B NE 5983 C CZ . ARG B 224 ? 1.0180 0.9276 0.8469 0.0784 -0.0307 -0.0713 224 ARG B CZ 5984 N NH1 . ARG B 224 ? 0.7414 0.6211 0.5484 0.0721 -0.0283 -0.0637 224 ARG B NH1 5985 N NH2 . ARG B 224 ? 0.9210 0.8345 0.7467 0.0915 -0.0372 -0.0733 224 ARG B NH2 5986 N N . ALA B 225 ? 0.5133 0.4935 0.4060 0.0111 -0.0055 -0.0619 225 ALA B N 5987 C CA . ALA B 225 ? 0.4863 0.4827 0.3916 0.0056 -0.0040 -0.0632 225 ALA B CA 5988 C C . ALA B 225 ? 0.5195 0.5226 0.4343 0.0017 -0.0018 -0.0688 225 ALA B C 5989 O O . ALA B 225 ? 0.4948 0.4902 0.4062 -0.0011 0.0001 -0.0697 225 ALA B O 5990 C CB . ALA B 225 ? 0.4897 0.4852 0.3914 -0.0030 -0.0020 -0.0568 225 ALA B CB 5991 N N . VAL B 226 ? 0.4689 0.4851 0.3940 0.0008 -0.0018 -0.0726 226 VAL B N 5992 C CA . VAL B 226 ? 0.4437 0.4654 0.3755 -0.0051 0.0013 -0.0775 226 VAL B CA 5993 C C . VAL B 226 ? 0.4925 0.5157 0.4244 -0.0116 0.0018 -0.0744 226 VAL B C 5994 O O . VAL B 226 ? 0.4587 0.4871 0.3929 -0.0091 -0.0004 -0.0740 226 VAL B O 5995 C CB . VAL B 226 ? 0.4684 0.5029 0.4105 -0.0012 0.0012 -0.0866 226 VAL B CB 5996 C CG1 . VAL B 226 ? 0.4620 0.5005 0.4084 -0.0097 0.0061 -0.0913 226 VAL B CG1 5997 C CG2 . VAL B 226 ? 0.4630 0.4975 0.4047 0.0093 -0.0013 -0.0904 226 VAL B CG2 5998 N N . LEU B 227 ? 0.4591 0.4765 0.3870 -0.0189 0.0041 -0.0723 227 LEU B N 5999 C CA . LEU B 227 ? 0.4555 0.4719 0.3809 -0.0234 0.0036 -0.0697 227 LEU B CA 6000 C C . LEU B 227 ? 0.4911 0.5051 0.4158 -0.0296 0.0066 -0.0735 227 LEU B C 6001 O O . LEU B 227 ? 0.4765 0.4849 0.3968 -0.0342 0.0092 -0.0736 227 LEU B O 6002 C CB . LEU B 227 ? 0.4599 0.4718 0.3792 -0.0262 0.0026 -0.0640 227 LEU B CB 6003 C CG . LEU B 227 ? 0.4913 0.5067 0.4101 -0.0226 0.0006 -0.0599 227 LEU B CG 6004 C CD1 . LEU B 227 ? 0.4840 0.4933 0.3992 -0.0219 0.0017 -0.0588 227 LEU B CD1 6005 C CD2 . LEU B 227 ? 0.5002 0.5184 0.4164 -0.0259 -0.0007 -0.0563 227 LEU B CD2 6006 N N . GLN B 228 ? 0.4285 0.4457 0.3560 -0.0306 0.0069 -0.0771 228 GLN B N 6007 C CA . GLN B 228 ? 0.4216 0.4350 0.3461 -0.0387 0.0109 -0.0809 228 GLN B CA 6008 C C . GLN B 228 ? 0.5007 0.5019 0.4140 -0.0421 0.0092 -0.0769 228 GLN B C 6009 O O . GLN B 228 ? 0.5084 0.5086 0.4207 -0.0389 0.0059 -0.0761 228 GLN B O 6010 C CB . GLN B 228 ? 0.4318 0.4550 0.3648 -0.0399 0.0126 -0.0883 228 GLN B CB 6011 C CG . GLN B 228 ? 0.4331 0.4702 0.3775 -0.0336 0.0126 -0.0935 228 GLN B CG 6012 C CD . GLN B 228 ? 0.5078 0.5591 0.4627 -0.0334 0.0127 -0.1016 228 GLN B CD 6013 O OE1 . GLN B 228 ? 0.4522 0.5148 0.4153 -0.0248 0.0098 -0.1051 228 GLN B OE1 6014 N NE2 . GLN B 228 ? 0.4591 0.5096 0.4127 -0.0430 0.0159 -0.1053 228 GLN B NE2 6015 N N . SER B 229 ? 0.4689 0.4599 0.3721 -0.0474 0.0109 -0.0748 229 SER B N 6016 C CA . SER B 229 ? 0.4717 0.4479 0.3605 -0.0496 0.0086 -0.0712 229 SER B CA 6017 C C . SER B 229 ? 0.5117 0.4885 0.3993 -0.0414 0.0019 -0.0670 229 SER B C 6018 O O . SER B 229 ? 0.5238 0.4910 0.4026 -0.0398 -0.0010 -0.0663 229 SER B O 6019 C CB . SER B 229 ? 0.5166 0.4835 0.3984 -0.0566 0.0116 -0.0746 229 SER B CB 6020 O OG . SER B 229 ? 0.5274 0.4986 0.4125 -0.0650 0.0188 -0.0799 229 SER B OG 6021 N N . GLY B 230 ? 0.4610 0.4482 0.3559 -0.0364 -0.0002 -0.0647 230 GLY B N 6022 C CA . GLY B 230 ? 0.4535 0.4456 0.3488 -0.0294 -0.0054 -0.0618 230 GLY B CA 6023 C C . GLY B 230 ? 0.4663 0.4695 0.3685 -0.0280 -0.0057 -0.0596 230 GLY B C 6024 O O . GLY B 230 ? 0.4582 0.4638 0.3653 -0.0303 -0.0025 -0.0604 230 GLY B O 6025 N N . THR B 231 ? 0.4357 0.4452 0.3373 -0.0244 -0.0096 -0.0574 231 THR B N 6026 C CA . THR B 231 ? 0.4322 0.4526 0.3390 -0.0255 -0.0095 -0.0555 231 THR B CA 6027 C C . THR B 231 ? 0.4719 0.5055 0.3822 -0.0198 -0.0129 -0.0549 231 THR B C 6028 O O . THR B 231 ? 0.4642 0.4965 0.3705 -0.0141 -0.0169 -0.0559 231 THR B O 6029 C CB . THR B 231 ? 0.5084 0.5252 0.4099 -0.0309 -0.0102 -0.0548 231 THR B CB 6030 O OG1 . THR B 231 ? 0.4908 0.5045 0.3849 -0.0276 -0.0150 -0.0550 231 THR B OG1 6031 C CG2 . THR B 231 ? 0.4781 0.4836 0.3758 -0.0369 -0.0062 -0.0559 231 THR B CG2 6032 N N . PRO B 232 ? 0.4282 0.4741 0.3444 -0.0215 -0.0112 -0.0536 232 PRO B N 6033 C CA . PRO B 232 ? 0.4327 0.4955 0.3533 -0.0168 -0.0135 -0.0541 232 PRO B CA 6034 C C . PRO B 232 ? 0.4992 0.5706 0.4193 -0.0164 -0.0178 -0.0554 232 PRO B C 6035 O O . PRO B 232 ? 0.5019 0.5848 0.4239 -0.0088 -0.0218 -0.0575 232 PRO B O 6036 C CB . PRO B 232 ? 0.4335 0.5043 0.3578 -0.0215 -0.0091 -0.0522 232 PRO B CB 6037 C CG . PRO B 232 ? 0.4912 0.5493 0.4118 -0.0296 -0.0063 -0.0507 232 PRO B CG 6038 C CD . PRO B 232 ? 0.4335 0.4770 0.3506 -0.0277 -0.0071 -0.0520 232 PRO B CD 6039 N N . ASN B 233 ? 0.4388 0.5057 0.3565 -0.0237 -0.0173 -0.0549 233 ASN B N 6040 C CA . ASN B 233 ? 0.4386 0.5121 0.3545 -0.0238 -0.0222 -0.0566 233 ASN B CA 6041 C C . ASN B 233 ? 0.5126 0.5700 0.4178 -0.0172 -0.0267 -0.0570 233 ASN B C 6042 O O . ASN B 233 ? 0.5189 0.5608 0.4192 -0.0160 -0.0246 -0.0561 233 ASN B O 6043 C CB . ASN B 233 ? 0.4467 0.5164 0.3609 -0.0347 -0.0199 -0.0560 233 ASN B CB 6044 C CG . ASN B 233 ? 0.5859 0.6339 0.4932 -0.0388 -0.0161 -0.0545 233 ASN B CG 6045 O OD1 . ASN B 233 ? 0.4962 0.5383 0.4051 -0.0392 -0.0118 -0.0533 233 ASN B OD1 6046 N ND2 . ASN B 233 ? 0.4473 0.4842 0.3463 -0.0412 -0.0176 -0.0551 233 ASN B ND2 6047 N N . GLY B 234 ? 0.5356 0.5957 0.4357 -0.0135 -0.0329 -0.0586 234 GLY B N 6048 C CA . GLY B 234 ? 0.5547 0.5948 0.4399 -0.0074 -0.0374 -0.0584 234 GLY B CA 6049 C C . GLY B 234 ? 0.5968 0.6424 0.4791 0.0060 -0.0447 -0.0607 234 GLY B C 6050 O O . GLY B 234 ? 0.5809 0.6489 0.4752 0.0107 -0.0454 -0.0630 234 GLY B O 6051 N N . PRO B 235 ? 0.5562 0.5799 0.4208 0.0126 -0.0499 -0.0602 235 PRO B N 6052 C CA . PRO B 235 ? 0.5669 0.5933 0.4252 0.0277 -0.0588 -0.0630 235 PRO B CA 6053 C C . PRO B 235 ? 0.6038 0.6242 0.4602 0.0364 -0.0593 -0.0640 235 PRO B C 6054 O O . PRO B 235 ? 0.6065 0.6315 0.4589 0.0505 -0.0669 -0.0673 235 PRO B O 6055 C CB . PRO B 235 ? 0.6135 0.6138 0.4487 0.0305 -0.0647 -0.0616 235 PRO B CB 6056 C CG . PRO B 235 ? 0.6599 0.6366 0.4870 0.0176 -0.0566 -0.0578 235 PRO B CG 6057 C CD . PRO B 235 ? 0.5755 0.5717 0.4229 0.0064 -0.0485 -0.0576 235 PRO B CD 6058 N N . TRP B 236 ? 0.5454 0.5556 0.4038 0.0292 -0.0521 -0.0621 236 TRP B N 6059 C CA . TRP B 236 ? 0.5285 0.5300 0.3832 0.0362 -0.0527 -0.0634 236 TRP B CA 6060 C C . TRP B 236 ? 0.5518 0.5729 0.4238 0.0347 -0.0473 -0.0645 236 TRP B C 6061 O O . TRP B 236 ? 0.5441 0.5637 0.4142 0.0431 -0.0492 -0.0668 236 TRP B O 6062 C CB . TRP B 236 ? 0.5217 0.4900 0.3593 0.0298 -0.0500 -0.0613 236 TRP B CB 6063 C CG . TRP B 236 ? 0.5239 0.4905 0.3681 0.0149 -0.0413 -0.0592 236 TRP B CG 6064 C CD1 . TRP B 236 ? 0.5578 0.5175 0.3973 0.0061 -0.0388 -0.0572 236 TRP B CD1 6065 C CD2 . TRP B 236 ? 0.5134 0.4875 0.3704 0.0087 -0.0346 -0.0598 236 TRP B CD2 6066 N NE1 . TRP B 236 ? 0.5382 0.5005 0.3869 -0.0047 -0.0308 -0.0569 236 TRP B NE1 6067 C CE2 . TRP B 236 ? 0.5554 0.5269 0.4151 -0.0029 -0.0285 -0.0584 236 TRP B CE2 6068 C CE3 . TRP B 236 ? 0.5309 0.5128 0.3958 0.0127 -0.0337 -0.0618 236 TRP B CE3 6069 C CZ2 . TRP B 236 ? 0.5296 0.5068 0.4002 -0.0094 -0.0222 -0.0594 236 TRP B CZ2 6070 C CZ3 . TRP B 236 ? 0.5321 0.5195 0.4074 0.0055 -0.0275 -0.0622 236 TRP B CZ3 6071 C CH2 . TRP B 236 ? 0.5347 0.5199 0.4129 -0.0048 -0.0222 -0.0611 236 TRP B CH2 6072 N N . ALA B 237 ? 0.5051 0.5394 0.3903 0.0241 -0.0406 -0.0628 237 ALA B N 6073 C CA . ALA B 237 ? 0.4807 0.5275 0.3779 0.0214 -0.0351 -0.0628 237 ALA B CA 6074 C C . ALA B 237 ? 0.5224 0.5950 0.4299 0.0284 -0.0361 -0.0653 237 ALA B C 6075 O O . ALA B 237 ? 0.4933 0.5722 0.4059 0.0296 -0.0330 -0.0658 237 ALA B O 6076 C CB . ALA B 237 ? 0.4692 0.5177 0.3732 0.0093 -0.0285 -0.0600 237 ALA B CB 6077 N N . THR B 238 ? 0.4804 0.5699 0.3915 0.0325 -0.0401 -0.0674 238 THR B N 6078 C CA . THR B 238 ? 0.4652 0.5839 0.3874 0.0385 -0.0404 -0.0711 238 THR B CA 6079 C C . THR B 238 ? 0.5251 0.6533 0.4446 0.0520 -0.0491 -0.0761 238 THR B C 6080 O O . THR B 238 ? 0.5368 0.6507 0.4460 0.0548 -0.0549 -0.0758 238 THR B O 6081 C CB . THR B 238 ? 0.4958 0.6370 0.4307 0.0266 -0.0345 -0.0702 238 THR B CB 6082 O OG1 . THR B 238 ? 0.4778 0.6202 0.4122 0.0217 -0.0373 -0.0702 238 THR B OG1 6083 C CG2 . THR B 238 ? 0.4264 0.5584 0.3624 0.0154 -0.0267 -0.0656 238 THR B CG2 6084 N N . VAL B 239 ? 0.4845 0.6378 0.4126 0.0609 -0.0500 -0.0810 239 VAL B N 6085 C CA . VAL B 239 ? 0.4806 0.6527 0.4105 0.0755 -0.0581 -0.0877 239 VAL B CA 6086 C C . VAL B 239 ? 0.5163 0.7303 0.4656 0.0713 -0.0535 -0.0919 239 VAL B C 6087 O O . VAL B 239 ? 0.4817 0.7036 0.4381 0.0606 -0.0445 -0.0894 239 VAL B O 6088 C CB . VAL B 239 ? 0.5220 0.6819 0.4407 0.0938 -0.0645 -0.0916 239 VAL B CB 6089 C CG1 . VAL B 239 ? 0.5315 0.6489 0.4281 0.0969 -0.0699 -0.0880 239 VAL B CG1 6090 C CG2 . VAL B 239 ? 0.5042 0.6694 0.4275 0.0943 -0.0585 -0.0923 239 VAL B CG2 6091 N N . SER B 240 ? 0.4890 0.7300 0.4458 0.0791 -0.0595 -0.0985 240 SER B N 6092 C CA . SER B 240 ? 0.4767 0.7623 0.4529 0.0753 -0.0553 -0.1045 240 SER B CA 6093 C C . SER B 240 ? 0.5153 0.8154 0.4948 0.0873 -0.0537 -0.1094 240 SER B C 6094 O O . SER B 240 ? 0.5032 0.7794 0.4696 0.1010 -0.0588 -0.1094 240 SER B O 6095 C CB . SER B 240 ? 0.4934 0.8051 0.4768 0.0833 -0.0640 -0.1121 240 SER B CB 6096 O OG . SER B 240 ? 0.5035 0.8130 0.4792 0.1066 -0.0745 -0.1180 240 SER B OG 6097 N N . ALA B 241 ? 0.4783 0.8170 0.4739 0.0819 -0.0467 -0.1142 241 ALA B N 6098 C CA . ALA B 241 ? 0.4741 0.8322 0.4740 0.0929 -0.0443 -0.1200 241 ALA B CA 6099 C C . ALA B 241 ? 0.5451 0.9129 0.5432 0.1177 -0.0560 -0.1292 241 ALA B C 6100 O O . ALA B 241 ? 0.5501 0.9067 0.5397 0.1323 -0.0585 -0.1316 241 ALA B O 6101 C CB . ALA B 241 ? 0.4733 0.8734 0.4903 0.0801 -0.0340 -0.1238 241 ALA B CB 6102 N N . GLY B 242 ? 0.5082 0.8949 0.5128 0.1230 -0.0638 -0.1348 242 GLY B N 6103 C CA . GLY B 242 ? 0.5103 0.9056 0.5117 0.1482 -0.0768 -0.1439 242 GLY B CA 6104 C C . GLY B 242 ? 0.5580 0.9025 0.5338 0.1625 -0.0858 -0.1395 242 GLY B C 6105 O O . GLY B 242 ? 0.5798 0.9200 0.5474 0.1833 -0.0923 -0.1453 242 GLY B O 6106 N N . GLU B 243 ? 0.5143 0.8190 0.4761 0.1507 -0.0855 -0.1294 243 GLU B N 6107 C CA . GLU B 243 ? 0.5263 0.7797 0.4621 0.1591 -0.0920 -0.1241 243 GLU B CA 6108 C C . GLU B 243 ? 0.5634 0.7956 0.4910 0.1602 -0.0869 -0.1218 243 GLU B C 6109 O O . GLU B 243 ? 0.5922 0.7983 0.5020 0.1764 -0.0943 -0.1239 243 GLU B O 6110 C CB . GLU B 243 ? 0.5393 0.7612 0.4641 0.1446 -0.0917 -0.1151 243 GLU B CB 6111 C CG . GLU B 243 ? 0.6209 0.7904 0.5174 0.1512 -0.0981 -0.1101 243 GLU B CG 6112 C CD . GLU B 243 ? 0.7592 0.9135 0.6369 0.1751 -0.1121 -0.1153 243 GLU B CD 6113 O OE1 . GLU B 243 ? 0.6585 0.7667 0.5101 0.1792 -0.1162 -0.1111 243 GLU B OE1 6114 O OE2 . GLU B 243 ? 0.7184 0.9060 0.6060 0.1898 -0.1192 -0.1240 243 GLU B OE2 6115 N N . ALA B 244 ? 0.4982 0.7406 0.4371 0.1438 -0.0750 -0.1179 244 ALA B N 6116 C CA . ALA B 244 ? 0.4885 0.7162 0.4216 0.1445 -0.0701 -0.1166 244 ALA B CA 6117 C C . ALA B 244 ? 0.5504 0.7983 0.4852 0.1649 -0.0742 -0.1265 244 ALA B C 6118 O O . ALA B 244 ? 0.5572 0.7790 0.4765 0.1763 -0.0780 -0.1278 244 ALA B O 6119 C CB . ALA B 244 ? 0.4728 0.7139 0.4181 0.1251 -0.0576 -0.1117 244 ALA B CB 6120 N N . ARG B 245 ? 0.5095 0.8041 0.4626 0.1695 -0.0735 -0.1344 245 ARG B N 6121 C CA . ARG B 245 ? 0.5276 0.8490 0.4852 0.1896 -0.0769 -0.1456 245 ARG B CA 6122 C C . ARG B 245 ? 0.5925 0.8890 0.5314 0.2143 -0.0916 -0.1505 245 ARG B C 6123 O O . ARG B 245 ? 0.6006 0.8856 0.5286 0.2303 -0.0950 -0.1553 245 ARG B O 6124 C CB . ARG B 245 ? 0.5443 0.9242 0.5270 0.1875 -0.0730 -0.1538 245 ARG B CB 6125 C CG . ARG B 245 ? 0.5890 1.0025 0.5784 0.2100 -0.0768 -0.1673 245 ARG B CG 6126 C CD . ARG B 245 ? 0.5711 1.0456 0.5869 0.2025 -0.0680 -0.1753 245 ARG B CD 6127 N NE . ARG B 245 ? 0.5150 0.9947 0.5354 0.1819 -0.0529 -0.1694 245 ARG B NE 6128 C CZ . ARG B 245 ? 0.6686 1.1555 0.6873 0.1868 -0.0467 -0.1727 245 ARG B CZ 6129 N NH1 . ARG B 245 ? 0.5413 1.0291 0.5613 0.1673 -0.0337 -0.1662 245 ARG B NH1 6130 N NH2 . ARG B 245 ? 0.5492 1.0421 0.5634 0.2118 -0.0539 -0.1827 245 ARG B NH2 6131 N N . ARG B 246 ? 0.5483 0.8327 0.4805 0.2171 -0.1002 -0.1489 246 ARG B N 6132 C CA . ARG B 246 ? 0.5781 0.8329 0.4878 0.2398 -0.1148 -0.1523 246 ARG B CA 6133 C C . ARG B 246 ? 0.6323 0.8300 0.5143 0.2413 -0.1164 -0.1462 246 ARG B C 6134 O O . ARG B 246 ? 0.6403 0.8195 0.5054 0.2620 -0.1246 -0.1519 246 ARG B O 6135 C CB . ARG B 246 ? 0.5763 0.8244 0.4815 0.2381 -0.1224 -0.1495 246 ARG B CB 6136 C CG . ARG B 246 ? 0.6943 0.9185 0.5763 0.2646 -0.1388 -0.1546 246 ARG B CG 6137 C CD . ARG B 246 ? 0.7262 0.9243 0.5928 0.2616 -0.1464 -0.1488 246 ARG B CD 6138 N NE . ARG B 246 ? 0.7169 0.8693 0.5678 0.2406 -0.1398 -0.1360 246 ARG B NE 6139 C CZ . ARG B 246 ? 0.8219 0.9195 0.6427 0.2433 -0.1428 -0.1306 246 ARG B CZ 6140 N NH1 . ARG B 246 ? 0.7479 0.8236 0.5479 0.2665 -0.1528 -0.1360 246 ARG B NH1 6141 N NH2 . ARG B 246 ? 0.6856 0.7499 0.4962 0.2228 -0.1360 -0.1203 246 ARG B NH2 6142 N N . ARG B 247 ? 0.5825 0.7532 0.4601 0.2191 -0.1086 -0.1355 247 ARG B N 6143 C CA . ARG B 247 ? 0.5891 0.7090 0.4433 0.2156 -0.1085 -0.1298 247 ARG B CA 6144 C C . ARG B 247 ? 0.6410 0.7618 0.4948 0.2212 -0.1048 -0.1340 247 ARG B C 6145 O O . ARG B 247 ? 0.6765 0.7611 0.5075 0.2323 -0.1108 -0.1357 247 ARG B O 6146 C CB . ARG B 247 ? 0.5575 0.6584 0.4122 0.1903 -0.1003 -0.1191 247 ARG B CB 6147 C CG . ARG B 247 ? 0.5962 0.6837 0.4432 0.1860 -0.1051 -0.1146 247 ARG B CG 6148 C CD . ARG B 247 ? 0.6146 0.6848 0.4623 0.1622 -0.0964 -0.1053 247 ARG B CD 6149 N NE . ARG B 247 ? 0.6395 0.7030 0.4828 0.1565 -0.0995 -0.1014 247 ARG B NE 6150 C CZ . ARG B 247 ? 0.6903 0.7351 0.5301 0.1383 -0.0939 -0.0940 247 ARG B CZ 6151 N NH1 . ARG B 247 ? 0.6137 0.6457 0.4551 0.1245 -0.0853 -0.0899 247 ARG B NH1 6152 N NH2 . ARG B 247 ? 0.6160 0.6565 0.4511 0.1345 -0.0970 -0.0914 247 ARG B NH2 6153 N N . ALA B 248 ? 0.5739 0.7342 0.4505 0.2138 -0.0952 -0.1360 248 ALA B N 6154 C CA . ALA B 248 ? 0.5622 0.7272 0.4389 0.2190 -0.0912 -0.1404 248 ALA B CA 6155 C C . ALA B 248 ? 0.6614 0.8350 0.5314 0.2460 -0.1001 -0.1518 248 ALA B C 6156 O O . ALA B 248 ? 0.6849 0.8341 0.5388 0.2562 -0.1030 -0.1551 248 ALA B O 6157 C CB . ALA B 248 ? 0.5356 0.7412 0.4358 0.2049 -0.0789 -0.1397 248 ALA B CB 6158 N N . THR B 249 ? 0.6201 0.8294 0.5026 0.2581 -0.1048 -0.1587 249 THR B N 6159 C CA . THR B 249 ? 0.6452 0.8698 0.5241 0.2865 -0.1142 -0.1712 249 THR B CA 6160 C C . THR B 249 ? 0.7140 0.8842 0.5597 0.3040 -0.1277 -0.1715 249 THR B C 6161 O O . THR B 249 ? 0.7373 0.8951 0.5691 0.3235 -0.1333 -0.1790 249 THR B O 6162 C CB . THR B 249 ? 0.7440 1.0213 0.6456 0.2929 -0.1164 -0.1786 249 THR B CB 6163 O OG1 . THR B 249 ? 0.6934 1.0151 0.6221 0.2733 -0.1027 -0.1775 249 THR B OG1 6164 C CG2 . THR B 249 ? 0.7279 1.0290 0.6295 0.3237 -0.1261 -0.1933 249 THR B CG2 6165 N N . LEU B 250 ? 0.6612 0.7972 0.4923 0.2965 -0.1325 -0.1632 250 LEU B N 6166 C CA . LEU B 250 ? 0.6945 0.7731 0.4899 0.3094 -0.1442 -0.1618 250 LEU B CA 6167 C C . LEU B 250 ? 0.7688 0.8032 0.5444 0.3022 -0.1407 -0.1581 250 LEU B C 6168 O O . LEU B 250 ? 0.7888 0.7889 0.5384 0.3202 -0.1493 -0.1630 250 LEU B O 6169 C CB . LEU B 250 ? 0.6949 0.7492 0.4795 0.2995 -0.1480 -0.1531 250 LEU B CB 6170 C CG . LEU B 250 ? 0.7853 0.7761 0.5292 0.3097 -0.1594 -0.1499 250 LEU B CG 6171 C CD1 . LEU B 250 ? 0.8112 0.7960 0.5374 0.3439 -0.1743 -0.1608 250 LEU B CD1 6172 C CD2 . LEU B 250 ? 0.7960 0.7714 0.5326 0.2984 -0.1615 -0.1417 250 LEU B CD2 6173 N N . LEU B 251 ? 0.7293 0.7646 0.5164 0.2766 -0.1286 -0.1504 251 LEU B N 6174 C CA . LEU B 251 ? 0.7450 0.7438 0.5165 0.2682 -0.1250 -0.1479 251 LEU B CA 6175 C C . LEU B 251 ? 0.8259 0.8349 0.5959 0.2857 -0.1265 -0.1580 251 LEU B C 6176 O O . LEU B 251 ? 0.8533 0.8206 0.5969 0.2944 -0.1323 -0.1606 251 LEU B O 6177 C CB . LEU B 251 ? 0.7143 0.7184 0.5009 0.2400 -0.1125 -0.1393 251 LEU B CB 6178 C CG . LEU B 251 ? 0.7941 0.7642 0.5659 0.2317 -0.1098 -0.1382 251 LEU B CG 6179 C CD1 . LEU B 251 ? 0.8136 0.7388 0.5667 0.2163 -0.1100 -0.1306 251 LEU B CD1 6180 C CD2 . LEU B 251 ? 0.8028 0.8026 0.5956 0.2205 -0.0995 -0.1381 251 LEU B CD2 6181 N N . ALA B 252 ? 0.7727 0.8362 0.5690 0.2912 -0.1216 -0.1642 252 ALA B N 6182 C CA . ALA B 252 ? 0.7767 0.8573 0.5741 0.3083 -0.1219 -0.1748 252 ALA B CA 6183 C C . ALA B 252 ? 0.8620 0.9228 0.6373 0.3380 -0.1360 -0.1840 252 ALA B C 6184 O O . ALA B 252 ? 0.8799 0.9157 0.6365 0.3505 -0.1399 -0.1898 252 ALA B O 6185 C CB . ALA B 252 ? 0.7559 0.9007 0.5854 0.3068 -0.1133 -0.1794 252 ALA B CB 6186 N N . ARG B 253 ? 0.8165 0.8840 0.5911 0.3497 -0.1446 -0.1854 253 ARG B N 6187 C CA . ARG B 253 ? 0.8526 0.8975 0.6030 0.3801 -0.1598 -0.1939 253 ARG B CA 6188 C C . ARG B 253 ? 0.9300 0.9000 0.6397 0.3799 -0.1662 -0.1890 253 ARG B C 6189 O O . ARG B 253 ? 0.9676 0.9117 0.6548 0.4003 -0.1739 -0.1968 253 ARG B O 6190 C CB . ARG B 253 ? 0.8445 0.9073 0.6004 0.3896 -0.1680 -0.1947 253 ARG B CB 6191 C CG . ARG B 253 ? 1.0242 1.0670 0.7554 0.4237 -0.1851 -0.2041 253 ARG B CG 6192 C CD . ARG B 253 ? 1.2036 1.2434 0.9295 0.4292 -0.1947 -0.2013 253 ARG B CD 6193 N NE . ARG B 253 ? 1.4459 1.4392 1.1335 0.4583 -0.2122 -0.2060 253 ARG B NE 6194 C CZ . ARG B 253 ? 1.6898 1.6201 1.3411 0.4557 -0.2197 -0.1970 253 ARG B CZ 6195 N NH1 . ARG B 253 ? 1.4088 1.3189 1.0596 0.4251 -0.2109 -0.1835 253 ARG B NH1 6196 N NH2 . ARG B 253 ? 1.6413 1.5283 1.2552 0.4839 -0.2361 -0.2018 253 ARG B NH2 6197 N N . LEU B 254 ? 0.8662 0.8030 0.5671 0.3554 -0.1620 -0.1767 254 LEU B N 6198 C CA . LEU B 254 ? 0.8875 0.7550 0.5512 0.3492 -0.1659 -0.1713 254 LEU B CA 6199 C C . LEU B 254 ? 0.9427 0.7893 0.5965 0.3456 -0.1619 -0.1745 254 LEU B C 6200 O O . LEU B 254 ? 0.9750 0.7659 0.5935 0.3519 -0.1690 -0.1757 254 LEU B O 6201 C CB . LEU B 254 ? 0.8689 0.7150 0.5305 0.3216 -0.1601 -0.1583 254 LEU B CB 6202 C CG . LEU B 254 ? 0.9299 0.7735 0.5861 0.3258 -0.1669 -0.1542 254 LEU B CG 6203 C CD1 . LEU B 254 ? 0.9131 0.7409 0.5702 0.2973 -0.1591 -0.1423 254 LEU B CD1 6204 C CD2 . LEU B 254 ? 1.0070 0.8024 0.6228 0.3510 -0.1826 -0.1579 254 LEU B CD2 6205 N N . VAL B 255 ? 0.8703 0.7594 0.5529 0.3356 -0.1511 -0.1764 255 VAL B N 6206 C CA . VAL B 255 ? 0.8800 0.7535 0.5547 0.3325 -0.1476 -0.1802 255 VAL B CA 6207 C C . VAL B 255 ? 0.9513 0.8495 0.6284 0.3591 -0.1515 -0.1936 255 VAL B C 6208 O O . VAL B 255 ? 0.9614 0.8571 0.6363 0.3580 -0.1478 -0.1981 255 VAL B O 6209 C CB . VAL B 255 ? 0.8874 0.7789 0.5838 0.3037 -0.1341 -0.1733 255 VAL B CB 6210 C CG1 . VAL B 255 ? 0.8873 0.7476 0.5764 0.2797 -0.1312 -0.1621 255 VAL B CG1 6211 C CG2 . VAL B 255 ? 0.8387 0.7952 0.5726 0.2996 -0.1251 -0.1734 255 VAL B CG2 6212 N N . GLY B 256 ? 0.9159 0.8380 0.5970 0.3831 -0.1591 -0.2005 256 GLY B N 6213 C CA . GLY B 256 ? 0.9380 0.8860 0.6214 0.4109 -0.1635 -0.2146 256 GLY B CA 6214 C C . GLY B 256 ? 0.9797 0.9968 0.7000 0.4085 -0.1525 -0.2198 256 GLY B C 6215 O O . GLY B 256 ? 0.9960 1.0319 0.7172 0.4267 -0.1532 -0.2312 256 GLY B O 6216 N N . CYS B 257 ? 0.9232 0.9777 0.6722 0.3867 -0.1425 -0.2118 257 CYS B N 6217 C CA . CYS B 257 ? 0.9019 1.0202 0.6849 0.3795 -0.1305 -0.2147 257 CYS B CA 6218 C C . CYS B 257 ? 1.0076 1.1777 0.8138 0.3896 -0.1320 -0.2200 257 CYS B C 6219 O O . CYS B 257 ? 1.0056 1.1678 0.8119 0.3851 -0.1367 -0.2140 257 CYS B O 6220 C CB . CYS B 257 ? 0.8604 0.9824 0.6573 0.3470 -0.1177 -0.2026 257 CYS B CB 6221 S SG . CYS B 257 ? 0.9200 1.0029 0.6990 0.3358 -0.1138 -0.2003 257 CYS B SG 6222 N N . PRO B 258 ? 1.0051 1.2298 0.8313 0.4026 -0.1280 -0.2317 258 PRO B N 6223 C CA . PRO B 258 ? 1.0898 1.3317 0.9178 0.4085 -0.1215 -0.2397 258 PRO B CA 6224 C C . PRO B 258 ? 1.5445 1.7781 1.3548 0.4432 -0.1327 -0.2548 258 PRO B C 6225 O O . PRO B 258 ? 1.1302 1.3112 0.9109 0.4521 -0.1398 -0.2555 258 PRO B O 6226 C CB . PRO B 258 ? 1.0665 1.3785 0.9296 0.3975 -0.1085 -0.2423 258 PRO B CB 6227 C CG . PRO B 258 ? 1.0902 1.4300 0.9684 0.4034 -0.1145 -0.2444 258 PRO B CG 6228 C CD . PRO B 258 ? 1.0391 1.3199 0.8907 0.4105 -0.1286 -0.2383 258 PRO B CD 6229 N N . GLY B 264 ? 0.9654 1.6066 0.9850 0.3917 -0.0942 -0.2785 264 GLY B N 6230 C CA . GLY B 264 ? 0.9595 1.5623 0.9620 0.3794 -0.0854 -0.2691 264 GLY B CA 6231 C C . GLY B 264 ? 0.9467 1.5522 0.9592 0.3418 -0.0694 -0.2550 264 GLY B C 6232 O O . GLY B 264 ? 0.9410 1.5347 0.9569 0.3252 -0.0705 -0.2452 264 GLY B O 6233 N N . ASN B 265 ? 0.8449 1.4632 0.8594 0.3291 -0.0552 -0.2539 265 ASN B N 6234 C CA . ASN B 265 ? 0.7917 1.4088 0.8118 0.2950 -0.0405 -0.2406 265 ASN B CA 6235 C C . ASN B 265 ? 0.7627 1.3141 0.7603 0.2826 -0.0427 -0.2244 265 ASN B C 6236 O O . ASN B 265 ? 0.7536 1.2614 0.7299 0.2984 -0.0524 -0.2241 265 ASN B O 6237 C CB . ASN B 265 ? 0.7928 1.4497 0.8225 0.2842 -0.0240 -0.2449 265 ASN B CB 6238 C CG . ASN B 265 ? 1.1203 1.7583 1.1324 0.2950 -0.0217 -0.2475 265 ASN B CG 6239 O OD1 . ASN B 265 ? 0.9955 1.5821 0.9870 0.2897 -0.0235 -0.2370 265 ASN B OD1 6240 N ND2 . ASN B 265 ? 1.0822 1.7671 1.1041 0.3063 -0.0153 -0.2616 265 ASN B ND2 6241 N N . ASP B 266 ? 0.6703 1.2154 0.6726 0.2542 -0.0337 -0.2117 266 ASP B N 6242 C CA . ASP B 266 ? 0.6502 1.1401 0.6351 0.2399 -0.0345 -0.1968 266 ASP B CA 6243 C C . ASP B 266 ? 0.6853 1.1487 0.6530 0.2423 -0.0314 -0.1950 266 ASP B C 6244 O O . ASP B 266 ? 0.6736 1.0887 0.6228 0.2462 -0.0389 -0.1897 266 ASP B O 6245 C CB . ASP B 266 ? 0.6370 1.1309 0.6312 0.2103 -0.0247 -0.1852 266 ASP B CB 6246 C CG . ASP B 266 ? 0.6552 1.1580 0.6609 0.2047 -0.0297 -0.1837 266 ASP B CG 6247 O OD1 . ASP B 266 ? 0.6658 1.1618 0.6689 0.2237 -0.0425 -0.1892 266 ASP B OD1 6248 O OD2 . ASP B 266 ? 0.6677 1.1803 0.6824 0.1814 -0.0213 -0.1765 266 ASP B OD2 6249 N N . THR B 267 ? 0.6417 1.1376 0.6147 0.2402 -0.0205 -0.2003 267 THR B N 6250 C CA . THR B 267 ? 0.6424 1.1192 0.5995 0.2418 -0.0165 -0.1995 267 THR B CA 6251 C C . THR B 267 ? 0.7102 1.1537 0.6493 0.2666 -0.0293 -0.2061 267 THR B C 6252 O O . THR B 267 ? 0.7159 1.1160 0.6374 0.2636 -0.0324 -0.1997 267 THR B O 6253 C CB . THR B 267 ? 0.7245 1.2480 0.6908 0.2372 -0.0027 -0.2060 267 THR B CB 6254 O OG1 . THR B 267 ? 0.6997 1.2433 0.6776 0.2112 0.0089 -0.1981 267 THR B OG1 6255 C CG2 . THR B 267 ? 0.6812 1.1868 0.6298 0.2389 0.0017 -0.2055 267 THR B CG2 6256 N N . GLU B 268 ? 0.6778 1.1404 0.6208 0.2905 -0.0372 -0.2189 268 GLU B N 6257 C CA . GLU B 268 ? 0.7023 1.1329 0.6260 0.3162 -0.0501 -0.2264 268 GLU B CA 6258 C C . GLU B 268 ? 0.7073 1.0821 0.6144 0.3154 -0.0616 -0.2177 268 GLU B C 6259 O O . GLU B 268 ? 0.7091 1.0396 0.5943 0.3214 -0.0675 -0.2167 268 GLU B O 6260 C CB . GLU B 268 ? 0.7391 1.2056 0.6712 0.3433 -0.0565 -0.2427 268 GLU B CB 6261 C CG . GLU B 268 ? 0.9436 1.4645 0.8892 0.3486 -0.0458 -0.2545 268 GLU B CG 6262 C CD . GLU B 268 ? 1.4018 1.9552 1.3534 0.3796 -0.0537 -0.2725 268 GLU B CD 6263 O OE1 . GLU B 268 ? 1.4445 1.9614 1.3757 0.4036 -0.0672 -0.2778 268 GLU B OE1 6264 O OE2 . GLU B 268 ? 1.3511 1.9660 1.3268 0.3801 -0.0465 -0.2819 268 GLU B OE2 6265 N N . LEU B 269 ? 0.6483 1.0253 0.5649 0.3070 -0.0643 -0.2119 269 LEU B N 6266 C CA . LEU B 269 ? 0.6535 0.9806 0.5549 0.3040 -0.0739 -0.2033 269 LEU B CA 6267 C C . LEU B 269 ? 0.6898 0.9789 0.5802 0.2832 -0.0690 -0.1913 269 LEU B C 6268 O O . LEU B 269 ? 0.7084 0.9504 0.5775 0.2875 -0.0763 -0.1893 269 LEU B O 6269 C CB . LEU B 269 ? 0.6442 0.9887 0.5602 0.2968 -0.0758 -0.1996 269 LEU B CB 6270 C CG . LEU B 269 ? 0.7302 1.0288 0.6303 0.2974 -0.0867 -0.1927 269 LEU B CG 6271 C CD1 . LEU B 269 ? 0.7413 1.0651 0.6540 0.3025 -0.0922 -0.1954 269 LEU B CD1 6272 C CD2 . LEU B 269 ? 0.7528 1.0221 0.6497 0.2710 -0.0807 -0.1784 269 LEU B CD2 6273 N N . ILE B 270 ? 0.6207 0.9306 0.5248 0.2611 -0.0568 -0.1841 270 ILE B N 6274 C CA . ILE B 270 ? 0.6173 0.8982 0.5138 0.2418 -0.0519 -0.1735 270 ILE B CA 6275 C C . ILE B 270 ? 0.6876 0.9489 0.5681 0.2495 -0.0526 -0.1777 270 ILE B C 6276 O O . ILE B 270 ? 0.6810 0.9014 0.5469 0.2441 -0.0565 -0.1728 270 ILE B O 6277 C CB . ILE B 270 ? 0.6329 0.9399 0.5454 0.2186 -0.0395 -0.1654 270 ILE B CB 6278 C CG1 . ILE B 270 ? 0.6206 0.9417 0.5470 0.2101 -0.0400 -0.1615 270 ILE B CG1 6279 C CG2 . ILE B 270 ? 0.6243 0.9002 0.5277 0.2019 -0.0362 -0.1553 270 ILE B CG2 6280 C CD1 . ILE B 270 ? 0.6530 1.0155 0.5980 0.1929 -0.0277 -0.1589 270 ILE B CD1 6281 N N . ALA B 271 ? 0.6530 0.9438 0.5360 0.2622 -0.0490 -0.1876 271 ALA B N 6282 C CA . ALA B 271 ? 0.6628 0.9372 0.5299 0.2712 -0.0500 -0.1930 271 ALA B CA 6283 C C . ALA B 271 ? 0.7489 0.9780 0.5949 0.2865 -0.0630 -0.1971 271 ALA B C 6284 O O . ALA B 271 ? 0.7610 0.9558 0.5912 0.2826 -0.0652 -0.1952 271 ALA B O 6285 C CB . ALA B 271 ? 0.6760 0.9922 0.5494 0.2840 -0.0441 -0.2041 271 ALA B CB 6286 N N . CYS B 272 ? 0.7208 0.9479 0.5651 0.3031 -0.0720 -0.2024 272 CYS B N 6287 C CA . CYS B 272 ? 0.7645 0.9435 0.5847 0.3174 -0.0848 -0.2056 272 CYS B CA 6288 C C . CYS B 272 ? 0.7786 0.9132 0.5888 0.2985 -0.0871 -0.1938 272 CYS B C 6289 O O . CYS B 272 ? 0.8036 0.8956 0.5930 0.2984 -0.0921 -0.1940 272 CYS B O 6290 C CB . CYS B 272 ? 0.8096 0.9968 0.6284 0.3406 -0.0943 -0.2138 272 CYS B CB 6291 S SG . CYS B 272 ? 0.9183 1.0390 0.7016 0.3584 -0.1107 -0.2166 272 CYS B SG 6292 N N . LEU B 273 ? 0.6771 0.8229 0.5023 0.2813 -0.0828 -0.1842 273 LEU B N 6293 C CA . LEU B 273 ? 0.6510 0.7606 0.4694 0.2624 -0.0835 -0.1735 273 LEU B CA 6294 C C . LEU B 273 ? 0.6903 0.7850 0.5044 0.2478 -0.0783 -0.1700 273 LEU B C 6295 O O . LEU B 273 ? 0.6884 0.7437 0.4883 0.2394 -0.0819 -0.1665 273 LEU B O 6296 C CB . LEU B 273 ? 0.6146 0.7439 0.4513 0.2469 -0.0787 -0.1647 273 LEU B CB 6297 C CG . LEU B 273 ? 0.6680 0.7971 0.5048 0.2557 -0.0859 -0.1651 273 LEU B CG 6298 C CD1 . LEU B 273 ? 0.6395 0.7934 0.4961 0.2387 -0.0796 -0.1574 273 LEU B CD1 6299 C CD2 . LEU B 273 ? 0.6784 0.7537 0.4900 0.2585 -0.0956 -0.1626 273 LEU B CD2 6300 N N . ARG B 274 ? 0.6369 0.7632 0.4619 0.2452 -0.0701 -0.1718 274 ARG B N 6301 C CA . ARG B 274 ? 0.6268 0.7433 0.4475 0.2338 -0.0659 -0.1695 274 ARG B CA 6302 C C . ARG B 274 ? 0.6891 0.7739 0.4883 0.2444 -0.0726 -0.1773 274 ARG B C 6303 O O . ARG B 274 ? 0.6733 0.7394 0.4661 0.2335 -0.0721 -0.1753 274 ARG B O 6304 C CB . ARG B 274 ? 0.5751 0.7314 0.4095 0.2284 -0.0554 -0.1687 274 ARG B CB 6305 C CG . ARG B 274 ? 0.5374 0.7135 0.3890 0.2104 -0.0478 -0.1586 274 ARG B CG 6306 C CD . ARG B 274 ? 0.5426 0.7447 0.4009 0.2008 -0.0376 -0.1556 274 ARG B CD 6307 N NE . ARG B 274 ? 0.6138 0.8441 0.4720 0.2140 -0.0340 -0.1646 274 ARG B NE 6308 C CZ . ARG B 274 ? 0.7656 1.0352 0.6372 0.2145 -0.0269 -0.1666 274 ARG B CZ 6309 N NH1 . ARG B 274 ? 0.6090 0.8929 0.4944 0.2017 -0.0228 -0.1598 274 ARG B NH1 6310 N NH2 . ARG B 274 ? 0.5955 0.8916 0.4667 0.2270 -0.0234 -0.1761 274 ARG B NH2 6311 N N . THR B 275 ? 0.6704 0.7482 0.4579 0.2657 -0.0796 -0.1867 275 THR B N 6312 C CA . THR B 275 ? 0.7020 0.7460 0.4661 0.2769 -0.0868 -0.1950 275 THR B CA 6313 C C . THR B 275 ? 0.7871 0.7795 0.5319 0.2719 -0.0949 -0.1922 275 THR B C 6314 O O . THR B 275 ? 0.8085 0.7658 0.5322 0.2753 -0.1004 -0.1976 275 THR B O 6315 C CB . THR B 275 ? 0.7952 0.8511 0.5524 0.3038 -0.0913 -0.2071 275 THR B CB 6316 O OG1 . THR B 275 ? 0.8112 0.8571 0.5641 0.3157 -0.0988 -0.2079 275 THR B OG1 6317 C CG2 . THR B 275 ? 0.7202 0.8295 0.4957 0.3090 -0.0824 -0.2113 275 THR B CG2 6318 N N . ARG B 276 ? 0.7491 0.7361 0.4994 0.2639 -0.0956 -0.1845 276 ARG B N 6319 C CA . ARG B 276 ? 0.7750 0.7138 0.5056 0.2585 -0.1024 -0.1814 276 ARG B CA 6320 C C . ARG B 276 ? 0.8302 0.7461 0.5581 0.2352 -0.0993 -0.1760 276 ARG B C 6321 O O . ARG B 276 ? 0.7874 0.7272 0.5352 0.2190 -0.0918 -0.1693 276 ARG B O 6322 C CB . ARG B 276 ? 0.7732 0.7146 0.5089 0.2588 -0.1044 -0.1754 276 ARG B CB 6323 C CG . ARG B 276 ? 0.8253 0.7794 0.5577 0.2846 -0.1111 -0.1825 276 ARG B CG 6324 C CD . ARG B 276 ? 0.8714 0.7855 0.5734 0.3039 -0.1212 -0.1916 276 ARG B CD 6325 N NE . ARG B 276 ? 0.9688 0.8935 0.6666 0.3305 -0.1290 -0.1989 276 ARG B NE 6326 C CZ . ARG B 276 ? 1.1607 1.1153 0.8641 0.3511 -0.1297 -0.2096 276 ARG B CZ 6327 N NH1 . ARG B 276 ? 1.1159 1.0900 0.8271 0.3478 -0.1229 -0.2136 276 ARG B NH1 6328 N NH2 . ARG B 276 ? 0.9606 0.9265 0.6611 0.3760 -0.1376 -0.2170 276 ARG B NH2 6329 N N . PRO B 277 ? 0.8217 0.6901 0.5247 0.2323 -0.1052 -0.1789 277 PRO B N 6330 C CA . PRO B 277 ? 0.8076 0.6566 0.5097 0.2085 -0.1022 -0.1745 277 PRO B CA 6331 C C . PRO B 277 ? 0.7980 0.6534 0.5136 0.1927 -0.0979 -0.1641 277 PRO B C 6332 O O . PRO B 277 ? 0.7850 0.6373 0.4978 0.1999 -0.1005 -0.1610 277 PRO B O 6333 C CB . PRO B 277 ? 0.8715 0.6659 0.5412 0.2098 -0.1098 -0.1796 277 PRO B CB 6334 C CG . PRO B 277 ? 0.9440 0.7344 0.5990 0.2362 -0.1164 -0.1891 277 PRO B CG 6335 C CD . PRO B 277 ? 0.8793 0.7084 0.5526 0.2498 -0.1149 -0.1865 277 PRO B CD 6336 N N . ALA B 278 ? 0.7195 0.5855 0.4496 0.1726 -0.0917 -0.1595 278 ALA B N 6337 C CA . ALA B 278 ? 0.6988 0.5727 0.4426 0.1574 -0.0869 -0.1504 278 ALA B CA 6338 C C . ALA B 278 ? 0.7840 0.6202 0.5091 0.1531 -0.0907 -0.1472 278 ALA B C 6339 O O . ALA B 278 ? 0.7775 0.6220 0.5093 0.1524 -0.0895 -0.1410 278 ALA B O 6340 C CB . ALA B 278 ? 0.6821 0.5671 0.4399 0.1383 -0.0813 -0.1482 278 ALA B CB 6341 N N . GLN B 279 ? 0.7579 0.5513 0.4575 0.1502 -0.0952 -0.1517 279 GLN B N 6342 C CA . GLN B 279 ? 0.7864 0.5377 0.4626 0.1450 -0.0985 -0.1486 279 GLN B CA 6343 C C . GLN B 279 ? 0.8702 0.6113 0.5322 0.1665 -0.1056 -0.1482 279 GLN B C 6344 O O . GLN B 279 ? 0.8656 0.5851 0.5155 0.1629 -0.1071 -0.1428 279 GLN B O 6345 C CB . GLN B 279 ? 0.8272 0.5329 0.4771 0.1344 -0.1010 -0.1537 279 GLN B CB 6346 C CG . GLN B 279 ? 0.8883 0.5501 0.5143 0.1211 -0.1014 -0.1491 279 GLN B CG 6347 C CD . GLN B 279 ? 0.9906 0.6703 0.6351 0.1026 -0.0937 -0.1410 279 GLN B CD 6348 O OE1 . GLN B 279 ? 0.8861 0.5929 0.5539 0.0875 -0.0871 -0.1407 279 GLN B OE1 6349 N NE2 . GLN B 279 ? 0.9156 0.5785 0.5482 0.1041 -0.0951 -0.1348 279 GLN B NE2 6350 N N . ASP B 280 ? 0.8461 0.6044 0.5096 0.1892 -0.1099 -0.1545 280 ASP B N 6351 C CA . ASP B 280 ? 0.8526 0.6086 0.5062 0.2117 -0.1173 -0.1557 280 ASP B CA 6352 C C . ASP B 280 ? 0.8589 0.6492 0.5351 0.2095 -0.1138 -0.1485 280 ASP B C 6353 O O . ASP B 280 ? 0.8741 0.6492 0.5379 0.2178 -0.1194 -0.1461 280 ASP B O 6354 C CB . ASP B 280 ? 0.8722 0.6478 0.5273 0.2356 -0.1213 -0.1651 280 ASP B CB 6355 C CG . ASP B 280 ? 1.0741 0.8095 0.6999 0.2455 -0.1280 -0.1738 280 ASP B CG 6356 O OD1 . ASP B 280 ? 1.1091 0.8033 0.7155 0.2296 -0.1281 -0.1728 280 ASP B OD1 6357 O OD2 . ASP B 280 ? 1.1613 0.9077 0.7839 0.2682 -0.1326 -0.1822 280 ASP B OD2 6358 N N . LEU B 281 ? 0.7672 0.6008 0.4744 0.1979 -0.1050 -0.1452 281 LEU B N 6359 C CA . LEU B 281 ? 0.7188 0.5854 0.4483 0.1928 -0.1007 -0.1386 281 LEU B CA 6360 C C . LEU B 281 ? 0.7814 0.6228 0.5034 0.1755 -0.0991 -0.1307 281 LEU B C 6361 O O . LEU B 281 ? 0.7709 0.6132 0.4918 0.1789 -0.1016 -0.1269 281 LEU B O 6362 C CB . LEU B 281 ? 0.6757 0.5889 0.4354 0.1844 -0.0916 -0.1370 281 LEU B CB 6363 C CG . LEU B 281 ? 0.7233 0.6655 0.4914 0.1988 -0.0909 -0.1444 281 LEU B CG 6364 C CD1 . LEU B 281 ? 0.6844 0.6687 0.4788 0.1887 -0.0817 -0.1409 281 LEU B CD1 6365 C CD2 . LEU B 281 ? 0.7539 0.7082 0.5186 0.2222 -0.0973 -0.1503 281 LEU B CD2 6366 N N . VAL B 282 ? 0.7352 0.5543 0.4512 0.1571 -0.0952 -0.1293 282 VAL B N 6367 C CA . VAL B 282 ? 0.7263 0.5213 0.4344 0.1387 -0.0924 -0.1229 282 VAL B CA 6368 C C . VAL B 282 ? 0.8455 0.5951 0.5204 0.1466 -0.1003 -0.1222 282 VAL B C 6369 O O . VAL B 282 ? 0.8614 0.6034 0.5323 0.1410 -0.0999 -0.1162 282 VAL B O 6370 C CB . VAL B 282 ? 0.7531 0.5373 0.4623 0.1182 -0.0867 -0.1238 282 VAL B CB 6371 C CG1 . VAL B 282 ? 0.7616 0.5203 0.4608 0.0989 -0.0832 -0.1186 282 VAL B CG1 6372 C CG2 . VAL B 282 ? 0.7053 0.5327 0.4451 0.1120 -0.0800 -0.1238 282 VAL B CG2 6373 N N . ASP B 283 ? 0.8535 0.5729 0.5034 0.1611 -0.1079 -0.1284 283 ASP B N 6374 C CA . ASP B 283 ? 0.8967 0.5668 0.5096 0.1709 -0.1166 -0.1282 283 ASP B CA 6375 C C . ASP B 283 ? 0.9427 0.6238 0.5554 0.1881 -0.1228 -0.1255 283 ASP B C 6376 O O . ASP B 283 ? 0.9679 0.6094 0.5519 0.1901 -0.1283 -0.1221 283 ASP B O 6377 C CB . ASP B 283 ? 0.9604 0.5974 0.5469 0.1855 -0.1241 -0.1364 283 ASP B CB 6378 C CG . ASP B 283 ? 1.1177 0.7220 0.6894 0.1666 -0.1205 -0.1389 283 ASP B CG 6379 O OD1 . ASP B 283 ? 1.1404 0.7414 0.7178 0.1416 -0.1127 -0.1342 283 ASP B OD1 6380 O OD2 . ASP B 283 ? 1.2269 0.8095 0.7810 0.1769 -0.1257 -0.1464 283 ASP B OD2 6381 N N . HIS B 284 ? 0.8731 0.6066 0.5161 0.1989 -0.1218 -0.1271 284 HIS B N 6382 C CA . HIS B 284 ? 0.8817 0.6324 0.5281 0.2144 -0.1278 -0.1260 284 HIS B CA 6383 C C . HIS B 284 ? 0.8856 0.6772 0.5623 0.2011 -0.1204 -0.1199 284 HIS B C 6384 O O . HIS B 284 ? 0.8689 0.6771 0.5502 0.2117 -0.1250 -0.1193 284 HIS B O 6385 C CB . HIS B 284 ? 0.9008 0.6785 0.5540 0.2418 -0.1345 -0.1352 284 HIS B CB 6386 C CG . HIS B 284 ? 1.0006 0.7355 0.6196 0.2613 -0.1449 -0.1417 284 HIS B CG 6387 N ND1 . HIS B 284 ? 1.0679 0.7655 0.6557 0.2771 -0.1562 -0.1416 284 HIS B ND1 6388 C CD2 . HIS B 284 ? 1.0369 0.7597 0.6470 0.2679 -0.1459 -0.1488 284 HIS B CD2 6389 C CE1 . HIS B 284 ? 1.0978 0.7596 0.6578 0.2927 -0.1637 -0.1483 284 HIS B CE1 6390 N NE2 . HIS B 284 ? 1.0876 0.7638 0.6604 0.2877 -0.1577 -0.1531 284 HIS B NE2 6391 N N . GLU B 285 ? 0.8249 0.6330 0.5217 0.1791 -0.1096 -0.1161 285 GLU B N 6392 C CA . GLU B 285 ? 0.7956 0.6407 0.5199 0.1671 -0.1026 -0.1108 285 GLU B CA 6393 C C . GLU B 285 ? 0.8594 0.6880 0.5729 0.1619 -0.1048 -0.1046 285 GLU B C 6394 O O . GLU B 285 ? 0.8108 0.6707 0.5421 0.1631 -0.1041 -0.1028 285 GLU B O 6395 C CB . GLU B 285 ? 0.7835 0.6455 0.5283 0.1463 -0.0918 -0.1081 285 GLU B CB 6396 C CG . GLU B 285 ? 0.9405 0.7697 0.6726 0.1263 -0.0875 -0.1042 285 GLU B CG 6397 C CD . GLU B 285 ? 1.1287 0.9793 0.8831 0.1076 -0.0779 -0.1021 285 GLU B CD 6398 O OE1 . GLU B 285 ? 1.0402 0.8680 0.7861 0.0923 -0.0744 -0.1015 285 GLU B OE1 6399 O OE2 . GLU B 285 ? 0.9807 0.8699 0.7600 0.1078 -0.0738 -0.1012 285 GLU B OE2 6400 N N . TRP B 286 ? 0.8870 0.6664 0.5698 0.1562 -0.1075 -0.1018 286 TRP B N 6401 C CA . TRP B 286 ? 0.9178 0.6773 0.5859 0.1508 -0.1093 -0.0958 286 TRP B CA 6402 C C . TRP B 286 ? 0.9814 0.7311 0.6314 0.1740 -0.1216 -0.0976 286 TRP B C 6403 O O . TRP B 286 ? 1.0144 0.7504 0.6521 0.1719 -0.1243 -0.0929 286 TRP B O 6404 C CB . TRP B 286 ? 0.9562 0.6681 0.5982 0.1326 -0.1055 -0.0918 286 TRP B CB 6405 C CG . TRP B 286 ? 0.9690 0.6968 0.6321 0.1083 -0.0934 -0.0895 286 TRP B CG 6406 C CD1 . TRP B 286 ? 1.0029 0.7317 0.6731 0.0986 -0.0881 -0.0929 286 TRP B CD1 6407 C CD2 . TRP B 286 ? 0.9558 0.7014 0.6349 0.0920 -0.0858 -0.0841 286 TRP B CD2 6408 N NE1 . TRP B 286 ? 0.9798 0.7275 0.6704 0.0783 -0.0781 -0.0902 286 TRP B NE1 6409 C CE2 . TRP B 286 ? 0.9947 0.7518 0.6905 0.0739 -0.0763 -0.0848 286 TRP B CE2 6410 C CE3 . TRP B 286 ? 0.9705 0.7240 0.6513 0.0916 -0.0865 -0.0794 286 TRP B CE3 6411 C CZ2 . TRP B 286 ? 0.9670 0.7412 0.6797 0.0566 -0.0676 -0.0811 286 TRP B CZ2 6412 C CZ3 . TRP B 286 ? 0.9716 0.7414 0.6691 0.0734 -0.0775 -0.0755 286 TRP B CZ3 6413 C CH2 . TRP B 286 ? 0.9627 0.7418 0.6754 0.0565 -0.0681 -0.0764 286 TRP B CH2 6414 N N . HIS B 287 ? 0.9172 0.6765 0.5664 0.1969 -0.1293 -0.1051 287 HIS B N 6415 C CA . HIS B 287 ? 0.9364 0.6898 0.5695 0.2226 -0.1424 -0.1089 287 HIS B CA 6416 C C . HIS B 287 ? 0.9191 0.7297 0.5833 0.2337 -0.1443 -0.1126 287 HIS B C 6417 O O . HIS B 287 ? 0.9274 0.7418 0.5829 0.2571 -0.1557 -0.1178 287 HIS B O 6418 C CB . HIS B 287 ? 0.9820 0.7109 0.5933 0.2438 -0.1509 -0.1166 287 HIS B CB 6419 C CG . HIS B 287 ? 1.0695 0.7364 0.6442 0.2353 -0.1512 -0.1143 287 HIS B CG 6420 N ND1 . HIS B 287 ? 1.1170 0.7669 0.6806 0.2436 -0.1533 -0.1208 287 HIS B ND1 6421 C CD2 . HIS B 287 ? 1.1201 0.7394 0.6666 0.2188 -0.1494 -0.1070 287 HIS B CD2 6422 C CE1 . HIS B 287 ? 1.1478 0.7407 0.6778 0.2308 -0.1527 -0.1172 287 HIS B CE1 6423 N NE2 . HIS B 287 ? 1.1573 0.7302 0.6757 0.2153 -0.1500 -0.1089 287 HIS B NE2 6424 N N . VAL B 288 ? 0.8127 0.6676 0.5121 0.2177 -0.1336 -0.1106 288 VAL B N 6425 C CA . VAL B 288 ? 0.7644 0.6748 0.4938 0.2253 -0.1340 -0.1147 288 VAL B CA 6426 C C . VAL B 288 ? 0.7706 0.6948 0.5099 0.2131 -0.1321 -0.1091 288 VAL B C 6427 O O . VAL B 288 ? 0.7376 0.7061 0.5000 0.2181 -0.1329 -0.1128 288 VAL B O 6428 C CB . VAL B 288 ? 0.7618 0.7171 0.5228 0.2207 -0.1248 -0.1186 288 VAL B CB 6429 C CG1 . VAL B 288 ? 0.7736 0.7202 0.5250 0.2367 -0.1283 -0.1260 288 VAL B CG1 6430 C CG2 . VAL B 288 ? 0.7283 0.6864 0.5033 0.1941 -0.1120 -0.1115 288 VAL B CG2 6431 N N . LEU B 289 ? 0.7438 0.6317 0.4655 0.1971 -0.1292 -0.1010 289 LEU B N 6432 C CA . LEU B 289 ? 0.7323 0.6280 0.4595 0.1855 -0.1275 -0.0957 289 LEU B CA 6433 C C . LEU B 289 ? 0.8411 0.7407 0.5578 0.2054 -0.1406 -0.0992 289 LEU B C 6434 O O . LEU B 289 ? 0.8827 0.7509 0.5711 0.2244 -0.1515 -0.1020 289 LEU B O 6435 C CB . LEU B 289 ? 0.7408 0.5949 0.4484 0.1653 -0.1216 -0.0874 289 LEU B CB 6436 C CG . LEU B 289 ? 0.7633 0.6248 0.4885 0.1430 -0.1080 -0.0842 289 LEU B CG 6437 C CD1 . LEU B 289 ? 0.7821 0.6019 0.4857 0.1253 -0.1030 -0.0780 289 LEU B CD1 6438 C CD2 . LEU B 289 ? 0.7144 0.6230 0.4740 0.1326 -0.1007 -0.0834 289 LEU B CD2 6439 N N . PRO B 290 ? 0.7758 0.7147 0.5147 0.2026 -0.1404 -0.1001 290 PRO B N 6440 C CA . PRO B 290 ? 0.7855 0.7357 0.5181 0.2229 -0.1538 -0.1053 290 PRO B CA 6441 C C . PRO B 290 ? 0.8827 0.7845 0.5775 0.2279 -0.1631 -0.1005 290 PRO B C 6442 O O . PRO B 290 ? 0.9040 0.8016 0.5834 0.2508 -0.1771 -0.1054 290 PRO B O 6443 C CB . PRO B 290 ? 0.7667 0.7710 0.5341 0.2131 -0.1490 -0.1073 290 PRO B CB 6444 C CG . PRO B 290 ? 0.7960 0.7971 0.5748 0.1855 -0.1345 -0.0995 290 PRO B CG 6445 C CD . PRO B 290 ? 0.7510 0.7267 0.5215 0.1819 -0.1286 -0.0975 290 PRO B CD 6446 N N . GLN B 291 ? 0.8550 0.7215 0.5344 0.2071 -0.1555 -0.0913 291 GLN B N 6447 C CA . GLN B 291 ? 0.8915 0.7083 0.5319 0.2082 -0.1622 -0.0857 291 GLN B CA 6448 C C . GLN B 291 ? 0.9478 0.7170 0.5661 0.1898 -0.1529 -0.0784 291 GLN B C 6449 O O . GLN B 291 ? 0.8931 0.6757 0.5323 0.1732 -0.1408 -0.0774 291 GLN B O 6450 C CB . GLN B 291 ? 0.8928 0.7238 0.5397 0.1969 -0.1611 -0.0820 291 GLN B CB 6451 C CG . GLN B 291 ? 0.9088 0.7960 0.5859 0.2058 -0.1663 -0.0890 291 GLN B CG 6452 C CD . GLN B 291 ? 1.0174 0.9519 0.7361 0.1881 -0.1533 -0.0900 291 GLN B CD 6453 O OE1 . GLN B 291 ? 0.9742 0.8992 0.6990 0.1678 -0.1406 -0.0845 291 GLN B OE1 6454 N NE2 . GLN B 291 ? 0.8480 0.8344 0.5953 0.1956 -0.1565 -0.0976 291 GLN B NE2 6455 N N . GLU B 292 ? 0.9600 0.6746 0.5356 0.1913 -0.1584 -0.0734 292 GLU B N 6456 C CA . GLU B 292 ? 0.9770 0.6442 0.5276 0.1709 -0.1494 -0.0664 292 GLU B CA 6457 C C . GLU B 292 ? 0.9505 0.6423 0.5254 0.1459 -0.1365 -0.0621 292 GLU B C 6458 O O . GLU B 292 ? 0.9311 0.6419 0.5129 0.1465 -0.1392 -0.0613 292 GLU B O 6459 C CB . GLU B 292 ? 1.0608 0.6681 0.5595 0.1780 -0.1586 -0.0619 292 GLU B CB 6460 C CG . GLU B 292 ? 1.2392 0.7952 0.7086 0.1556 -0.1487 -0.0552 292 GLU B CG 6461 C CD . GLU B 292 ? 1.5242 1.0174 0.9392 0.1575 -0.1552 -0.0493 292 GLU B CD 6462 O OE1 . GLU B 292 ? 1.4285 0.9136 0.8244 0.1795 -0.1695 -0.0501 292 GLU B OE1 6463 O OE2 . GLU B 292 ? 1.5068 0.9591 0.8974 0.1366 -0.1458 -0.0442 292 GLU B OE2 6464 N N . SER B 293 ? 0.8667 0.5629 0.4572 0.1257 -0.1232 -0.0606 293 SER B N 6465 C CA . SER B 293 ? 0.8212 0.5443 0.4371 0.1049 -0.1116 -0.0578 293 SER B CA 6466 C C . SER B 293 ? 0.8809 0.5920 0.5000 0.0827 -0.0983 -0.0555 293 SER B C 6467 O O . SER B 293 ? 0.8909 0.5807 0.4994 0.0822 -0.0973 -0.0569 293 SER B O 6468 C CB . SER B 293 ? 0.7787 0.5597 0.4368 0.1093 -0.1105 -0.0623 293 SER B CB 6469 O OG . SER B 293 ? 0.7980 0.5964 0.4727 0.1164 -0.1098 -0.0670 293 SER B OG 6470 N N . ILE B 294 ? 0.8172 0.5445 0.4524 0.0644 -0.0883 -0.0529 294 ILE B N 6471 C CA . ILE B 294 ? 0.7892 0.5173 0.4357 0.0437 -0.0753 -0.0524 294 ILE B CA 6472 C C . ILE B 294 ? 0.7581 0.5338 0.4437 0.0382 -0.0692 -0.0538 294 ILE B C 6473 O O . ILE B 294 ? 0.7220 0.5201 0.4182 0.0447 -0.0733 -0.0537 294 ILE B O 6474 C CB . ILE B 294 ? 0.8466 0.5379 0.4663 0.0257 -0.0683 -0.0482 294 ILE B CB 6475 C CG1 . ILE B 294 ? 0.8432 0.5378 0.4581 0.0221 -0.0682 -0.0447 294 ILE B CG1 6476 C CG2 . ILE B 294 ? 0.8801 0.5195 0.4586 0.0290 -0.0731 -0.0468 294 ILE B CG2 6477 C CD1 . ILE B 294 ? 0.9053 0.5737 0.5007 0.0014 -0.0582 -0.0413 294 ILE B CD1 6478 N N . PHE B 295 ? 0.6972 0.4878 0.4031 0.0265 -0.0600 -0.0554 295 PHE B N 6479 C CA . PHE B 295 ? 0.6347 0.4658 0.3746 0.0215 -0.0541 -0.0566 295 PHE B CA 6480 C C . PHE B 295 ? 0.6732 0.5355 0.4315 0.0370 -0.0607 -0.0591 295 PHE B C 6481 O O . PHE B 295 ? 0.6651 0.5558 0.4426 0.0359 -0.0594 -0.0590 295 PHE B O 6482 C CB . PHE B 295 ? 0.6282 0.4650 0.3717 0.0095 -0.0486 -0.0540 295 PHE B CB 6483 C CG . PHE B 295 ? 0.6025 0.4603 0.3695 -0.0037 -0.0384 -0.0551 295 PHE B CG 6484 C CD1 . PHE B 295 ? 0.6015 0.4888 0.3943 -0.0003 -0.0370 -0.0573 295 PHE B CD1 6485 C CD2 . PHE B 295 ? 0.6021 0.4501 0.3641 -0.0187 -0.0303 -0.0543 295 PHE B CD2 6486 C CE1 . PHE B 295 ? 0.5802 0.4839 0.3915 -0.0104 -0.0290 -0.0584 295 PHE B CE1 6487 C CE2 . PHE B 295 ? 0.5971 0.4658 0.3807 -0.0282 -0.0221 -0.0563 295 PHE B CE2 6488 C CZ . PHE B 295 ? 0.5547 0.4496 0.3619 -0.0233 -0.0220 -0.0582 295 PHE B CZ 6489 N N . ARG B 296 ? 0.6434 0.4989 0.3939 0.0512 -0.0676 -0.0619 296 ARG B N 6490 C CA . ARG B 296 ? 0.6237 0.5089 0.3903 0.0666 -0.0733 -0.0657 296 ARG B CA 6491 C C . ARG B 296 ? 0.6833 0.5655 0.4512 0.0716 -0.0729 -0.0691 296 ARG B C 6492 O O . ARG B 296 ? 0.7002 0.5487 0.4451 0.0736 -0.0755 -0.0695 296 ARG B O 6493 C CB . ARG B 296 ? 0.6227 0.5045 0.3756 0.0839 -0.0848 -0.0672 296 ARG B CB 6494 C CG . ARG B 296 ? 0.6349 0.5244 0.3879 0.0804 -0.0865 -0.0649 296 ARG B CG 6495 C CD . ARG B 296 ? 0.6115 0.5433 0.3956 0.0734 -0.0814 -0.0657 296 ARG B CD 6496 N NE . ARG B 296 ? 0.7251 0.6614 0.5065 0.0707 -0.0842 -0.0644 296 ARG B NE 6497 C CZ . ARG B 296 ? 0.7570 0.6823 0.5345 0.0557 -0.0781 -0.0604 296 ARG B CZ 6498 N NH1 . ARG B 296 ? 0.5969 0.5092 0.3749 0.0421 -0.0686 -0.0579 296 ARG B NH1 6499 N NH2 . ARG B 296 ? 0.5989 0.5281 0.3725 0.0547 -0.0816 -0.0599 296 ARG B NH2 6500 N N . PHE B 297 ? 0.6076 0.5233 0.4008 0.0724 -0.0693 -0.0715 297 PHE B N 6501 C CA . PHE B 297 ? 0.5809 0.4990 0.3787 0.0759 -0.0679 -0.0749 297 PHE B CA 6502 C C . PHE B 297 ? 0.6268 0.5735 0.4366 0.0919 -0.0725 -0.0794 297 PHE B C 6503 O O . PHE B 297 ? 0.5827 0.5603 0.4095 0.0930 -0.0719 -0.0796 297 PHE B O 6504 C CB . PHE B 297 ? 0.5611 0.4897 0.3750 0.0604 -0.0583 -0.0737 297 PHE B CB 6505 C CG . PHE B 297 ? 0.5587 0.4705 0.3666 0.0445 -0.0530 -0.0700 297 PHE B CG 6506 C CD1 . PHE B 297 ? 0.6033 0.4802 0.3894 0.0382 -0.0527 -0.0697 297 PHE B CD1 6507 C CD2 . PHE B 297 ? 0.5360 0.4656 0.3581 0.0356 -0.0481 -0.0672 297 PHE B CD2 6508 C CE1 . PHE B 297 ? 0.6112 0.4751 0.3917 0.0229 -0.0468 -0.0670 297 PHE B CE1 6509 C CE2 . PHE B 297 ? 0.5579 0.4732 0.3739 0.0221 -0.0431 -0.0647 297 PHE B CE2 6510 C CZ . PHE B 297 ? 0.5637 0.4479 0.3597 0.0157 -0.0421 -0.0647 297 PHE B CZ 6511 N N . SER B 298 ? 0.6024 0.5377 0.4016 0.1042 -0.0773 -0.0837 298 SER B N 6512 C CA . SER B 298 ? 0.5990 0.5583 0.4056 0.1221 -0.0824 -0.0895 298 SER B CA 6513 C C . SER B 298 ? 0.6039 0.6050 0.4376 0.1194 -0.0759 -0.0912 298 SER B C 6514 O O . SER B 298 ? 0.5995 0.6319 0.4463 0.1272 -0.0777 -0.0942 298 SER B O 6515 C CB . SER B 298 ? 0.6577 0.5908 0.4446 0.1347 -0.0882 -0.0940 298 SER B CB 6516 O OG . SER B 298 ? 0.7113 0.6068 0.4699 0.1416 -0.0962 -0.0931 298 SER B OG 6517 N N . PHE B 299 ? 0.5307 0.5322 0.3717 0.1083 -0.0686 -0.0897 299 PHE B N 6518 C CA . PHE B 299 ? 0.4854 0.5203 0.3468 0.1058 -0.0625 -0.0908 299 PHE B CA 6519 C C . PHE B 299 ? 0.5119 0.5524 0.3847 0.0881 -0.0544 -0.0854 299 PHE B C 6520 O O . PHE B 299 ? 0.4989 0.5226 0.3681 0.0792 -0.0513 -0.0837 299 PHE B O 6521 C CB . PHE B 299 ? 0.4922 0.5247 0.3498 0.1142 -0.0631 -0.0957 299 PHE B CB 6522 C CG . PHE B 299 ? 0.5189 0.5495 0.3661 0.1341 -0.0714 -0.1020 299 PHE B CG 6523 C CD1 . PHE B 299 ? 0.5329 0.5988 0.3930 0.1452 -0.0721 -0.1068 299 PHE B CD1 6524 C CD2 . PHE B 299 ? 0.5787 0.5716 0.4020 0.1417 -0.0786 -0.1036 299 PHE B CD2 6525 C CE1 . PHE B 299 ? 0.5666 0.6332 0.4179 0.1658 -0.0805 -0.1139 299 PHE B CE1 6526 C CE2 . PHE B 299 ? 0.6277 0.6162 0.4390 0.1625 -0.0875 -0.1099 299 PHE B CE2 6527 C CZ . PHE B 299 ? 0.5873 0.6140 0.4136 0.1754 -0.0887 -0.1153 299 PHE B CZ 6528 N N . VAL B 300 ? 0.4542 0.5175 0.3397 0.0833 -0.0518 -0.0832 300 VAL B N 6529 C CA . VAL B 300 ? 0.4358 0.5033 0.3304 0.0678 -0.0450 -0.0782 300 VAL B CA 6530 C C . VAL B 300 ? 0.4684 0.5681 0.3790 0.0645 -0.0398 -0.0780 300 VAL B C 6531 O O . VAL B 300 ? 0.4574 0.5785 0.3730 0.0736 -0.0415 -0.0821 300 VAL B O 6532 C CB . VAL B 300 ? 0.4889 0.5439 0.3780 0.0619 -0.0469 -0.0751 300 VAL B CB 6533 C CG1 . VAL B 300 ? 0.5058 0.5264 0.3761 0.0624 -0.0505 -0.0747 300 VAL B CG1 6534 C CG2 . VAL B 300 ? 0.4821 0.5558 0.3750 0.0689 -0.0515 -0.0772 300 VAL B CG2 6535 N N . PRO B 301 ? 0.4248 0.5280 0.3422 0.0516 -0.0335 -0.0736 301 PRO B N 6536 C CA . PRO B 301 ? 0.4259 0.5551 0.3545 0.0465 -0.0283 -0.0729 301 PRO B CA 6537 C C . PRO B 301 ? 0.4855 0.6377 0.4208 0.0501 -0.0308 -0.0761 301 PRO B C 6538 O O . PRO B 301 ? 0.4915 0.6377 0.4235 0.0523 -0.0360 -0.0767 301 PRO B O 6539 C CB . PRO B 301 ? 0.4426 0.5626 0.3725 0.0328 -0.0234 -0.0676 301 PRO B CB 6540 C CG . PRO B 301 ? 0.4853 0.5811 0.4078 0.0328 -0.0242 -0.0668 301 PRO B CG 6541 C CD . PRO B 301 ? 0.4303 0.5137 0.3445 0.0412 -0.0306 -0.0698 301 PRO B CD 6542 N N . VAL B 302 ? 0.4480 0.6277 0.3921 0.0509 -0.0272 -0.0788 302 VAL B N 6543 C CA . VAL B 302 ? 0.4325 0.6417 0.3861 0.0543 -0.0290 -0.0837 302 VAL B CA 6544 C C . VAL B 302 ? 0.4885 0.7168 0.4515 0.0384 -0.0216 -0.0815 302 VAL B C 6545 O O . VAL B 302 ? 0.4851 0.7104 0.4468 0.0293 -0.0143 -0.0776 302 VAL B O 6546 C CB . VAL B 302 ? 0.4572 0.6868 0.4137 0.0690 -0.0310 -0.0908 302 VAL B CB 6547 C CG1 . VAL B 302 ? 0.4352 0.6737 0.3933 0.0653 -0.0231 -0.0901 302 VAL B CG1 6548 C CG2 . VAL B 302 ? 0.4541 0.7184 0.4221 0.0744 -0.0338 -0.0979 302 VAL B CG2 6549 N N . VAL B 303 ? 0.4424 0.6883 0.4128 0.0351 -0.0238 -0.0842 303 VAL B N 6550 C CA . VAL B 303 ? 0.4332 0.6981 0.4119 0.0188 -0.0167 -0.0833 303 VAL B CA 6551 C C . VAL B 303 ? 0.4913 0.7914 0.4798 0.0212 -0.0123 -0.0892 303 VAL B C 6552 O O . VAL B 303 ? 0.4801 0.8099 0.4788 0.0293 -0.0162 -0.0971 303 VAL B O 6553 C CB . VAL B 303 ? 0.4660 0.7379 0.4492 0.0130 -0.0207 -0.0849 303 VAL B CB 6554 C CG1 . VAL B 303 ? 0.4552 0.7452 0.4457 -0.0057 -0.0128 -0.0845 303 VAL B CG1 6555 C CG2 . VAL B 303 ? 0.4594 0.6963 0.4312 0.0122 -0.0249 -0.0798 303 VAL B CG2 6556 N N . ASP B 304 ? 0.4510 0.7466 0.4351 0.0167 -0.0048 -0.0859 304 ASP B N 6557 C CA . ASP B 304 ? 0.4516 0.7755 0.4412 0.0188 0.0010 -0.0905 304 ASP B CA 6558 C C . ASP B 304 ? 0.5211 0.8699 0.5170 0.0006 0.0110 -0.0909 304 ASP B C 6559 O O . ASP B 304 ? 0.5195 0.8991 0.5224 0.0012 0.0161 -0.0965 304 ASP B O 6560 C CB . ASP B 304 ? 0.4584 0.7620 0.4366 0.0243 0.0033 -0.0869 304 ASP B CB 6561 C CG . ASP B 304 ? 0.4950 0.7690 0.4618 0.0122 0.0081 -0.0777 304 ASP B CG 6562 O OD1 . ASP B 304 ? 0.4767 0.7386 0.4426 0.0010 0.0085 -0.0736 304 ASP B OD1 6563 O OD2 . ASP B 304 ? 0.4978 0.7592 0.4557 0.0153 0.0104 -0.0752 304 ASP B OD2 6564 N N . GLY B 305 ? 0.4943 0.8285 0.4863 -0.0160 0.0144 -0.0851 305 GLY B N 6565 C CA . GLY B 305 ? 0.4948 0.8442 0.4881 -0.0361 0.0246 -0.0842 305 GLY B CA 6566 C C . GLY B 305 ? 0.5588 0.8900 0.5374 -0.0430 0.0331 -0.0775 305 GLY B C 6567 O O . GLY B 305 ? 0.5724 0.9127 0.5474 -0.0594 0.0428 -0.0761 305 GLY B O 6568 N N . ASP B 306 ? 0.5111 0.8152 0.4795 -0.0308 0.0293 -0.0733 306 ASP B N 6569 C CA . ASP B 306 ? 0.5090 0.7935 0.4620 -0.0334 0.0350 -0.0673 306 ASP B CA 6570 C C . ASP B 306 ? 0.5392 0.7828 0.4798 -0.0322 0.0309 -0.0599 306 ASP B C 6571 O O . ASP B 306 ? 0.5464 0.7727 0.4785 -0.0455 0.0345 -0.0544 306 ASP B O 6572 C CB . ASP B 306 ? 0.5193 0.8175 0.4728 -0.0190 0.0348 -0.0717 306 ASP B CB 6573 C CG . ASP B 306 ? 0.6164 0.8969 0.5530 -0.0206 0.0403 -0.0662 306 ASP B CG 6574 O OD1 . ASP B 306 ? 0.6015 0.8653 0.5254 -0.0350 0.0464 -0.0594 306 ASP B OD1 6575 O OD2 . ASP B 306 ? 0.7483 1.0309 0.6827 -0.0072 0.0381 -0.0690 306 ASP B OD2 6576 N N . PHE B 307 ? 0.4698 0.6985 0.4095 -0.0170 0.0234 -0.0603 307 PHE B N 6577 C CA . PHE B 307 ? 0.4591 0.6544 0.3904 -0.0157 0.0193 -0.0552 307 PHE B CA 6578 C C . PHE B 307 ? 0.4949 0.6843 0.4303 -0.0243 0.0176 -0.0541 307 PHE B C 6579 O O . PHE B 307 ? 0.4820 0.6498 0.4089 -0.0324 0.0192 -0.0491 307 PHE B O 6580 C CB . PHE B 307 ? 0.4624 0.6479 0.3949 -0.0001 0.0117 -0.0578 307 PHE B CB 6581 C CG . PHE B 307 ? 0.4798 0.6358 0.4040 0.0010 0.0089 -0.0537 307 PHE B CG 6582 C CD1 . PHE B 307 ? 0.5052 0.6464 0.4306 -0.0029 0.0062 -0.0520 307 PHE B CD1 6583 C CD2 . PHE B 307 ? 0.4961 0.6417 0.4119 0.0067 0.0088 -0.0526 307 PHE B CD2 6584 C CE1 . PHE B 307 ? 0.5092 0.6275 0.4286 -0.0017 0.0042 -0.0496 307 PHE B CE1 6585 C CE2 . PHE B 307 ? 0.5270 0.6500 0.4373 0.0085 0.0058 -0.0504 307 PHE B CE2 6586 C CZ . PHE B 307 ? 0.5011 0.6117 0.4139 0.0042 0.0038 -0.0491 307 PHE B CZ 6587 N N . LEU B 308 ? 0.4586 0.6672 0.4060 -0.0214 0.0137 -0.0594 308 LEU B N 6588 C CA . LEU B 308 ? 0.4482 0.6547 0.3994 -0.0291 0.0116 -0.0594 308 LEU B CA 6589 C C . LEU B 308 ? 0.5098 0.7469 0.4698 -0.0393 0.0160 -0.0633 308 LEU B C 6590 O O . LEU B 308 ? 0.4808 0.7457 0.4519 -0.0316 0.0133 -0.0700 308 LEU B O 6591 C CB . LEU B 308 ? 0.4338 0.6363 0.3895 -0.0176 0.0026 -0.0625 308 LEU B CB 6592 C CG . LEU B 308 ? 0.4949 0.6687 0.4428 -0.0098 -0.0014 -0.0598 308 LEU B CG 6593 C CD1 . LEU B 308 ? 0.4689 0.6388 0.4184 -0.0008 -0.0093 -0.0629 308 LEU B CD1 6594 C CD2 . LEU B 308 ? 0.5153 0.6644 0.4553 -0.0194 0.0014 -0.0543 308 LEU B CD2 6595 N N . SER B 309 ? 0.5115 0.7437 0.4658 -0.0563 0.0228 -0.0598 309 SER B N 6596 C CA . SER B 309 ? 0.5313 0.7920 0.4928 -0.0706 0.0287 -0.0636 309 SER B CA 6597 C C . SER B 309 ? 0.5697 0.8522 0.5454 -0.0709 0.0230 -0.0702 309 SER B C 6598 O O . SER B 309 ? 0.5766 0.8940 0.5642 -0.0768 0.0254 -0.0767 309 SER B O 6599 C CB . SER B 309 ? 0.5923 0.8341 0.5397 -0.0898 0.0370 -0.0577 309 SER B CB 6600 O OG . SER B 309 ? 0.6703 0.8839 0.6105 -0.0941 0.0336 -0.0540 309 SER B OG 6601 N N . ASP B 310 ? 0.4997 0.7626 0.4736 -0.0641 0.0152 -0.0689 310 ASP B N 6602 C CA . ASP B 310 ? 0.4723 0.7490 0.4556 -0.0619 0.0080 -0.0743 310 ASP B CA 6603 C C . ASP B 310 ? 0.5122 0.7631 0.4895 -0.0477 -0.0002 -0.0719 310 ASP B C 6604 O O . ASP B 310 ? 0.5116 0.7393 0.4803 -0.0414 0.0004 -0.0673 310 ASP B O 6605 C CB . ASP B 310 ? 0.4938 0.7674 0.4753 -0.0809 0.0111 -0.0736 310 ASP B CB 6606 C CG . ASP B 310 ? 0.6077 0.9119 0.6027 -0.0835 0.0060 -0.0818 310 ASP B CG 6607 O OD1 . ASP B 310 ? 0.6040 0.9198 0.6058 -0.0675 -0.0030 -0.0864 310 ASP B OD1 6608 O OD2 . ASP B 310 ? 0.6306 0.9446 0.6276 -0.1015 0.0105 -0.0836 310 ASP B OD2 6609 N N . THR B 311 ? 0.4709 0.7256 0.4516 -0.0431 -0.0079 -0.0755 311 THR B N 6610 C CA . THR B 311 ? 0.4685 0.6972 0.4409 -0.0319 -0.0149 -0.0732 311 THR B CA 6611 C C . THR B 311 ? 0.5127 0.7077 0.4737 -0.0406 -0.0112 -0.0664 311 THR B C 6612 O O . THR B 311 ? 0.5292 0.7219 0.4886 -0.0549 -0.0064 -0.0648 311 THR B O 6613 C CB . THR B 311 ? 0.5346 0.7724 0.5097 -0.0276 -0.0234 -0.0779 311 THR B CB 6614 O OG1 . THR B 311 ? 0.5090 0.7450 0.4837 -0.0431 -0.0211 -0.0773 311 THR B OG1 6615 C CG2 . THR B 311 ? 0.4732 0.7477 0.4605 -0.0177 -0.0285 -0.0862 311 THR B CG2 6616 N N . PRO B 312 ? 0.4788 0.6479 0.4313 -0.0327 -0.0133 -0.0631 312 PRO B N 6617 C CA . PRO B 312 ? 0.4835 0.6248 0.4269 -0.0398 -0.0102 -0.0583 312 PRO B CA 6618 C C . PRO B 312 ? 0.5560 0.6928 0.4971 -0.0493 -0.0113 -0.0589 312 PRO B C 6619 O O . PRO B 312 ? 0.5568 0.6792 0.4924 -0.0591 -0.0068 -0.0561 312 PRO B O 6620 C CB . PRO B 312 ? 0.4973 0.6193 0.4348 -0.0292 -0.0136 -0.0572 312 PRO B CB 6621 C CG . PRO B 312 ? 0.5494 0.6849 0.4910 -0.0181 -0.0157 -0.0596 312 PRO B CG 6622 C CD . PRO B 312 ? 0.4932 0.6568 0.4434 -0.0175 -0.0183 -0.0642 312 PRO B CD 6623 N N . GLU B 313 ? 0.5597 0.7082 0.5037 -0.0458 -0.0177 -0.0629 313 GLU B N 6624 C CA A GLU B 313 ? 0.5650 0.7117 0.5066 -0.0543 -0.0197 -0.0644 313 GLU B CA 6625 C CA B GLU B 313 ? 0.5693 0.7159 0.5110 -0.0542 -0.0198 -0.0644 313 GLU B CA 6626 C C . GLU B 313 ? 0.6177 0.7756 0.5633 -0.0698 -0.0142 -0.0651 313 GLU B C 6627 O O . GLU B 313 ? 0.6423 0.7829 0.5807 -0.0800 -0.0113 -0.0632 313 GLU B O 6628 C CB A GLU B 313 ? 0.5857 0.7486 0.5304 -0.0464 -0.0286 -0.0695 313 GLU B CB 6629 C CB B GLU B 313 ? 0.5935 0.7559 0.5380 -0.0457 -0.0286 -0.0694 313 GLU B CB 6630 C CG A GLU B 313 ? 0.7009 0.8612 0.6417 -0.0542 -0.0317 -0.0714 313 GLU B CG 6631 C CG B GLU B 313 ? 0.7593 0.9004 0.6920 -0.0426 -0.0337 -0.0685 313 GLU B CG 6632 C CD A GLU B 313 ? 0.9026 1.0858 0.8480 -0.0477 -0.0408 -0.0777 313 GLU B CD 6633 C CD B GLU B 313 ? 0.8825 0.9968 0.8041 -0.0343 -0.0340 -0.0648 313 GLU B CD 6634 O OE1 A GLU B 313 ? 0.9650 1.1368 0.9014 -0.0360 -0.0480 -0.0777 313 GLU B OE1 6635 O OE1 B GLU B 313 ? 0.7258 0.8183 0.6376 -0.0390 -0.0325 -0.0626 313 GLU B OE1 6636 O OE2 A GLU B 313 ? 0.7343 0.9464 0.6914 -0.0549 -0.0409 -0.0829 313 GLU B OE2 6637 O OE2 B GLU B 313 ? 0.6056 0.7209 0.5276 -0.0237 -0.0358 -0.0648 313 GLU B OE2 6638 N N . ALA B 314 ? 0.5467 0.7325 0.5027 -0.0721 -0.0120 -0.0681 314 ALA B N 6639 C CA . ALA B 314 ? 0.5489 0.7468 0.5077 -0.0889 -0.0057 -0.0691 314 ALA B CA 6640 C C . ALA B 314 ? 0.6198 0.7918 0.5672 -0.0969 0.0023 -0.0626 314 ALA B C 6641 O O . ALA B 314 ? 0.6304 0.7924 0.5711 -0.1119 0.0067 -0.0615 314 ALA B O 6642 C CB . ALA B 314 ? 0.5478 0.7839 0.5205 -0.0887 -0.0045 -0.0745 314 ALA B CB 6643 N N . LEU B 315 ? 0.5536 0.7137 0.4974 -0.0866 0.0037 -0.0588 315 LEU B N 6644 C CA . LEU B 315 ? 0.5524 0.6882 0.4844 -0.0909 0.0097 -0.0530 315 LEU B CA 6645 C C . LEU B 315 ? 0.6070 0.7108 0.5275 -0.0920 0.0089 -0.0500 315 LEU B C 6646 O O . LEU B 315 ? 0.6095 0.6936 0.5185 -0.1002 0.0134 -0.0467 315 LEU B O 6647 C CB . LEU B 315 ? 0.5348 0.6710 0.4671 -0.0793 0.0107 -0.0509 315 LEU B CB 6648 C CG . LEU B 315 ? 0.5625 0.7289 0.5040 -0.0778 0.0128 -0.0539 315 LEU B CG 6649 C CD1 . LEU B 315 ? 0.5348 0.6981 0.4751 -0.0647 0.0125 -0.0524 315 LEU B CD1 6650 C CD2 . LEU B 315 ? 0.5957 0.7702 0.5338 -0.0945 0.0208 -0.0532 315 LEU B CD2 6651 N N . ILE B 316 ? 0.5871 0.6849 0.5090 -0.0840 0.0034 -0.0516 316 ILE B N 6652 C CA . ILE B 316 ? 0.6094 0.6802 0.5214 -0.0852 0.0033 -0.0500 316 ILE B CA 6653 C C . ILE B 316 ? 0.7245 0.7914 0.6319 -0.0985 0.0038 -0.0518 316 ILE B C 6654 O O . ILE B 316 ? 0.7373 0.7803 0.6338 -0.1025 0.0057 -0.0503 316 ILE B O 6655 C CB . ILE B 316 ? 0.6336 0.6957 0.5457 -0.0740 -0.0009 -0.0507 316 ILE B CB 6656 C CG1 . ILE B 316 ? 0.6440 0.7169 0.5594 -0.0729 -0.0065 -0.0543 316 ILE B CG1 6657 C CG2 . ILE B 316 ? 0.5936 0.6577 0.5091 -0.0626 -0.0013 -0.0496 316 ILE B CG2 6658 C CD1 . ILE B 316 ? 0.6336 0.6915 0.5436 -0.0654 -0.0097 -0.0547 316 ILE B CD1 6659 N N . ASN B 317 ? 0.6970 0.7881 0.6127 -0.1048 0.0018 -0.0558 317 ASN B N 6660 C CA . ASN B 317 ? 0.7011 0.7920 0.6136 -0.1187 0.0018 -0.0587 317 ASN B CA 6661 C C . ASN B 317 ? 0.7695 0.8547 0.6751 -0.1344 0.0086 -0.0571 317 ASN B C 6662 O O . ASN B 317 ? 0.7870 0.8548 0.6823 -0.1455 0.0100 -0.0576 317 ASN B O 6663 C CB . ASN B 317 ? 0.6527 0.7744 0.5774 -0.1191 -0.0039 -0.0648 317 ASN B CB 6664 C CG . ASN B 317 ? 0.8433 0.9658 0.7695 -0.1057 -0.0115 -0.0665 317 ASN B CG 6665 O OD1 . ASN B 317 ? 0.8377 0.9368 0.7553 -0.0989 -0.0122 -0.0637 317 ASN B OD1 6666 N ND2 . ASN B 317 ? 0.7336 0.8834 0.6696 -0.1018 -0.0176 -0.0717 317 ASN B ND2 6667 N N . THR B 318 ? 0.7419 0.8394 0.6510 -0.1357 0.0130 -0.0554 318 THR B N 6668 C CA . THR B 318 ? 0.7697 0.8614 0.6697 -0.1520 0.0205 -0.0535 318 THR B CA 6669 C C . THR B 318 ? 0.8523 0.9130 0.7356 -0.1496 0.0251 -0.0466 318 THR B C 6670 O O . THR B 318 ? 0.8857 0.9321 0.7552 -0.1633 0.0311 -0.0440 318 THR B O 6671 C CB . THR B 318 ? 0.8421 0.9715 0.7556 -0.1586 0.0235 -0.0571 318 THR B CB 6672 O OG1 . THR B 318 ? 0.8051 0.9448 0.7247 -0.1444 0.0235 -0.0553 318 THR B OG1 6673 C CG2 . THR B 318 ? 0.7921 0.9553 0.7222 -0.1612 0.0183 -0.0652 318 THR B CG2 6674 N N . GLY B 319 ? 0.7843 0.8349 0.6678 -0.1327 0.0221 -0.0441 319 GLY B N 6675 C CA . GLY B 319 ? 0.7880 0.8128 0.6571 -0.1272 0.0248 -0.0386 319 GLY B CA 6676 C C . GLY B 319 ? 0.8534 0.8409 0.7029 -0.1311 0.0257 -0.0361 319 GLY B C 6677 O O . GLY B 319 ? 0.8422 0.8204 0.6905 -0.1322 0.0229 -0.0388 319 GLY B O 6678 N N . ASP B 320 ? 0.8279 0.7924 0.6598 -0.1319 0.0293 -0.0311 320 ASP B N 6679 C CA . ASP B 320 ? 0.8455 0.7703 0.6550 -0.1321 0.0294 -0.0285 320 ASP B CA 6680 C C . ASP B 320 ? 0.8356 0.7501 0.6445 -0.1122 0.0255 -0.0273 320 ASP B C 6681 O O . ASP B 320 ? 0.7907 0.7088 0.5983 -0.1055 0.0263 -0.0244 320 ASP B O 6682 C CB . ASP B 320 ? 0.9054 0.8085 0.6920 -0.1465 0.0355 -0.0238 320 ASP B CB 6683 C CG . ASP B 320 ? 1.0977 0.9545 0.8563 -0.1455 0.0350 -0.0208 320 ASP B CG 6684 O OD1 . ASP B 320 ? 1.1139 0.9576 0.8723 -0.1369 0.0304 -0.0237 320 ASP B OD1 6685 O OD2 . ASP B 320 ? 1.2148 1.0474 0.9501 -0.1536 0.0393 -0.0157 320 ASP B OD2 6686 N N . PHE B 321 ? 0.7823 0.6871 0.5932 -0.1031 0.0214 -0.0304 321 PHE B N 6687 C CA . PHE B 321 ? 0.7504 0.6515 0.5646 -0.0852 0.0177 -0.0313 321 PHE B CA 6688 C C . PHE B 321 ? 0.8401 0.7079 0.6358 -0.0780 0.0159 -0.0314 321 PHE B C 6689 O O . PHE B 321 ? 0.8322 0.6999 0.6333 -0.0640 0.0126 -0.0345 321 PHE B O 6690 C CB . PHE B 321 ? 0.7199 0.6442 0.5551 -0.0786 0.0147 -0.0360 321 PHE B CB 6691 C CG . PHE B 321 ? 0.6886 0.6433 0.5401 -0.0822 0.0150 -0.0365 321 PHE B CG 6692 C CD1 . PHE B 321 ? 0.6821 0.6511 0.5401 -0.0757 0.0150 -0.0349 321 PHE B CD1 6693 C CD2 . PHE B 321 ? 0.6940 0.6631 0.5536 -0.0909 0.0145 -0.0391 321 PHE B CD2 6694 C CE1 . PHE B 321 ? 0.6663 0.6626 0.5382 -0.0772 0.0148 -0.0362 321 PHE B CE1 6695 C CE2 . PHE B 321 ? 0.6994 0.6969 0.5734 -0.0916 0.0136 -0.0404 321 PHE B CE2 6696 C CZ . PHE B 321 ? 0.6468 0.6574 0.5268 -0.0844 0.0139 -0.0390 321 PHE B CZ 6697 N N . GLN B 322 ? 0.8628 0.7023 0.6358 -0.0873 0.0182 -0.0283 322 GLN B N 6698 C CA . GLN B 322 ? 0.9082 0.7108 0.6588 -0.0805 0.0160 -0.0284 322 GLN B CA 6699 C C . GLN B 322 ? 0.9775 0.7707 0.7228 -0.0609 0.0119 -0.0282 322 GLN B C 6700 O O . GLN B 322 ? 1.0139 0.7936 0.7549 -0.0484 0.0081 -0.0324 322 GLN B O 6701 C CB . GLN B 322 ? 0.9702 0.7415 0.6936 -0.0954 0.0195 -0.0240 322 GLN B CB 6702 C CG . GLN B 322 ? 1.2575 1.0261 0.9803 -0.1116 0.0216 -0.0269 322 GLN B CG 6703 C CD . GLN B 322 ? 1.6496 1.3832 1.3430 -0.1275 0.0252 -0.0232 322 GLN B CD 6704 O OE1 . GLN B 322 ? 1.6741 1.3744 1.3478 -0.1277 0.0236 -0.0248 322 GLN B OE1 6705 N NE2 . GLN B 322 ? 1.5184 1.2578 1.2070 -0.1418 0.0305 -0.0185 322 GLN B NE2 6706 N N . ASP B 323 ? 0.9155 0.7185 0.6622 -0.0576 0.0123 -0.0244 323 ASP B N 6707 C CA . ASP B 323 ? 0.9269 0.7232 0.6679 -0.0396 0.0078 -0.0242 323 ASP B CA 6708 C C . ASP B 323 ? 0.9018 0.7278 0.6689 -0.0260 0.0042 -0.0302 323 ASP B C 6709 O O . ASP B 323 ? 0.8890 0.7159 0.6555 -0.0116 0.0001 -0.0313 323 ASP B O 6710 C CB . ASP B 323 ? 0.9774 0.7719 0.7071 -0.0438 0.0103 -0.0175 323 ASP B CB 6711 C CG . ASP B 323 ? 1.2308 1.0625 0.9833 -0.0509 0.0137 -0.0173 323 ASP B CG 6712 O OD1 . ASP B 323 ? 1.2181 1.0687 0.9858 -0.0627 0.0167 -0.0193 323 ASP B OD1 6713 O OD2 . ASP B 323 ? 1.3887 1.2304 1.1427 -0.0440 0.0130 -0.0155 323 ASP B OD2 6714 N N . LEU B 324 ? 0.7935 0.6433 0.5821 -0.0313 0.0056 -0.0342 324 LEU B N 6715 C CA . LEU B 324 ? 0.7295 0.6068 0.5412 -0.0228 0.0036 -0.0391 324 LEU B CA 6716 C C . LEU B 324 ? 0.6744 0.5551 0.4953 -0.0162 0.0020 -0.0462 324 LEU B C 6717 O O . LEU B 324 ? 0.6548 0.5281 0.4730 -0.0231 0.0037 -0.0477 324 LEU B O 6718 C CB . LEU B 324 ? 0.7091 0.6115 0.5365 -0.0337 0.0066 -0.0378 324 LEU B CB 6719 C CG . LEU B 324 ? 0.7495 0.6781 0.5962 -0.0277 0.0052 -0.0405 324 LEU B CG 6720 C CD1 . LEU B 324 ? 0.7602 0.6907 0.6039 -0.0188 0.0033 -0.0387 324 LEU B CD1 6721 C CD2 . LEU B 324 ? 0.7696 0.7175 0.6275 -0.0376 0.0073 -0.0395 324 LEU B CD2 6722 N N . GLN B 325 ? 0.5990 0.4938 0.4319 -0.0038 -0.0008 -0.0512 325 GLN B N 6723 C CA . GLN B 325 ? 0.5750 0.4809 0.4207 0.0013 -0.0011 -0.0591 325 GLN B CA 6724 C C . GLN B 325 ? 0.5673 0.5001 0.4327 -0.0016 0.0000 -0.0608 325 GLN B C 6725 O O . GLN B 325 ? 0.5121 0.4550 0.3822 0.0019 -0.0015 -0.0593 325 GLN B O 6726 C CB . GLN B 325 ? 0.5972 0.4988 0.4407 0.0174 -0.0051 -0.0654 325 GLN B CB 6727 C CG . GLN B 325 ? 0.7058 0.5764 0.5264 0.0234 -0.0075 -0.0643 325 GLN B CG 6728 C CD . GLN B 325 ? 0.8400 0.6957 0.6448 0.0306 -0.0113 -0.0592 325 GLN B CD 6729 O OE1 . GLN B 325 ? 0.7198 0.5905 0.5328 0.0395 -0.0144 -0.0608 325 GLN B OE1 6730 N NE2 . GLN B 325 ? 0.8510 0.6764 0.6315 0.0257 -0.0108 -0.0528 325 GLN B NE2 6731 N N . VAL B 326 ? 0.5341 0.4760 0.4085 -0.0084 0.0027 -0.0636 326 VAL B N 6732 C CA . VAL B 326 ? 0.5253 0.4873 0.4142 -0.0122 0.0039 -0.0649 326 VAL B CA 6733 C C . VAL B 326 ? 0.5554 0.5256 0.4527 -0.0120 0.0060 -0.0720 326 VAL B C 6734 O O . VAL B 326 ? 0.5331 0.4950 0.4254 -0.0145 0.0078 -0.0742 326 VAL B O 6735 C CB . VAL B 326 ? 0.5919 0.5561 0.4799 -0.0233 0.0052 -0.0594 326 VAL B CB 6736 C CG1 . VAL B 326 ? 0.5802 0.5602 0.4792 -0.0257 0.0055 -0.0607 326 VAL B CG1 6737 C CG2 . VAL B 326 ? 0.5964 0.5576 0.4780 -0.0247 0.0044 -0.0535 326 VAL B CG2 6738 N N . LEU B 327 ? 0.4975 0.4836 0.4065 -0.0100 0.0062 -0.0758 327 LEU B N 6739 C CA . LEU B 327 ? 0.4728 0.4689 0.3899 -0.0126 0.0094 -0.0824 327 LEU B CA 6740 C C . LEU B 327 ? 0.5035 0.5046 0.4230 -0.0212 0.0106 -0.0792 327 LEU B C 6741 O O . LEU B 327 ? 0.4730 0.4790 0.3953 -0.0200 0.0083 -0.0764 327 LEU B O 6742 C CB . LEU B 327 ? 0.4664 0.4765 0.3938 -0.0042 0.0086 -0.0903 327 LEU B CB 6743 C CG . LEU B 327 ? 0.5119 0.5368 0.4496 -0.0086 0.0130 -0.0983 327 LEU B CG 6744 C CD1 . LEU B 327 ? 0.5229 0.5431 0.4565 -0.0125 0.0174 -0.1016 327 LEU B CD1 6745 C CD2 . LEU B 327 ? 0.5052 0.5474 0.4547 0.0002 0.0113 -0.1072 327 LEU B CD2 6746 N N . VAL B 328 ? 0.4638 0.4608 0.3792 -0.0289 0.0135 -0.0791 328 VAL B N 6747 C CA . VAL B 328 ? 0.4669 0.4643 0.3804 -0.0356 0.0135 -0.0759 328 VAL B CA 6748 C C . VAL B 328 ? 0.5240 0.5218 0.4362 -0.0418 0.0180 -0.0803 328 VAL B C 6749 O O . VAL B 328 ? 0.5203 0.5162 0.4306 -0.0431 0.0213 -0.0843 328 VAL B O 6750 C CB . VAL B 328 ? 0.5271 0.5172 0.4329 -0.0396 0.0112 -0.0696 328 VAL B CB 6751 C CG1 . VAL B 328 ? 0.5455 0.5368 0.4520 -0.0360 0.0081 -0.0653 328 VAL B CG1 6752 C CG2 . VAL B 328 ? 0.5263 0.5073 0.4247 -0.0437 0.0130 -0.0704 328 VAL B CG2 6753 N N . GLY B 329 ? 0.4848 0.4829 0.3956 -0.0460 0.0183 -0.0795 329 GLY B N 6754 C CA . GLY B 329 ? 0.4861 0.4808 0.3914 -0.0538 0.0232 -0.0827 329 GLY B CA 6755 C C . GLY B 329 ? 0.5010 0.4893 0.3992 -0.0585 0.0225 -0.0803 329 GLY B C 6756 O O . GLY B 329 ? 0.4536 0.4413 0.3523 -0.0546 0.0178 -0.0766 329 GLY B O 6757 N N . VAL B 330 ? 0.4777 0.4594 0.3672 -0.0669 0.0276 -0.0826 330 VAL B N 6758 C CA . VAL B 330 ? 0.4805 0.4491 0.3569 -0.0728 0.0276 -0.0801 330 VAL B CA 6759 C C . VAL B 330 ? 0.5346 0.5042 0.4093 -0.0828 0.0354 -0.0862 330 VAL B C 6760 O O . VAL B 330 ? 0.5232 0.5045 0.4059 -0.0852 0.0411 -0.0924 330 VAL B O 6761 C CB . VAL B 330 ? 0.5281 0.4808 0.3872 -0.0744 0.0249 -0.0746 330 VAL B CB 6762 C CG1 . VAL B 330 ? 0.5170 0.4724 0.3792 -0.0660 0.0173 -0.0697 330 VAL B CG1 6763 C CG2 . VAL B 330 ? 0.5242 0.4742 0.3769 -0.0804 0.0305 -0.0772 330 VAL B CG2 6764 N N . VAL B 331 ? 0.5077 0.4645 0.3709 -0.0889 0.0359 -0.0850 331 VAL B N 6765 C CA . VAL B 331 ? 0.5108 0.4647 0.3680 -0.1019 0.0444 -0.0903 331 VAL B CA 6766 C C . VAL B 331 ? 0.5851 0.5170 0.4182 -0.1092 0.0469 -0.0861 331 VAL B C 6767 O O . VAL B 331 ? 0.5694 0.4890 0.3919 -0.1027 0.0403 -0.0795 331 VAL B O 6768 C CB . VAL B 331 ? 0.5379 0.4881 0.3943 -0.1066 0.0443 -0.0923 331 VAL B CB 6769 C CG1 . VAL B 331 ? 0.5045 0.4780 0.3842 -0.0993 0.0417 -0.0973 331 VAL B CG1 6770 C CG2 . VAL B 331 ? 0.5397 0.4646 0.3766 -0.1036 0.0375 -0.0847 331 VAL B CG2 6771 N N . LYS B 332 ? 0.5798 0.5076 0.4038 -0.1226 0.0563 -0.0904 332 LYS B N 6772 C CA . LYS B 332 ? 0.6002 0.5059 0.3984 -0.1308 0.0600 -0.0868 332 LYS B CA 6773 C C . LYS B 332 ? 0.6710 0.5451 0.4427 -0.1298 0.0533 -0.0785 332 LYS B C 6774 O O . LYS B 332 ? 0.6722 0.5292 0.4247 -0.1280 0.0503 -0.0733 332 LYS B O 6775 C CB . LYS B 332 ? 0.6382 0.5479 0.4324 -0.1472 0.0729 -0.0941 332 LYS B CB 6776 C CG . LYS B 332 ? 0.7306 0.6239 0.5013 -0.1561 0.0792 -0.0924 332 LYS B CG 6777 C CD . LYS B 332 ? 0.8549 0.7606 0.6278 -0.1726 0.0934 -0.1016 332 LYS B CD 6778 C CE . LYS B 332 ? 1.0011 0.8781 0.7421 -0.1902 0.1009 -0.0991 332 LYS B CE 6779 N NZ . LYS B 332 ? 0.8898 0.7476 0.6203 -0.1945 0.0976 -0.0957 332 LYS B NZ 6780 N N . ASP B 333 ? 0.6467 0.5125 0.4161 -0.1299 0.0503 -0.0777 333 ASP B N 6781 C CA . ASP B 333 ? 0.6766 0.5098 0.4185 -0.1278 0.0437 -0.0707 333 ASP B CA 6782 C C . ASP B 333 ? 0.7196 0.5545 0.4699 -0.1147 0.0337 -0.0685 333 ASP B C 6783 O O . ASP B 333 ? 0.7296 0.5504 0.4712 -0.1173 0.0326 -0.0688 333 ASP B O 6784 C CB . ASP B 333 ? 0.7265 0.5344 0.4435 -0.1447 0.0517 -0.0717 333 ASP B CB 6785 C CG . ASP B 333 ? 0.8090 0.6174 0.5176 -0.1592 0.0633 -0.0748 333 ASP B CG 6786 O OD1 . ASP B 333 ? 0.7727 0.6081 0.5028 -0.1672 0.0723 -0.0830 333 ASP B OD1 6787 O OD2 . ASP B 333 ? 0.8846 0.6688 0.5660 -0.1611 0.0629 -0.0695 333 ASP B OD2 6788 N N . GLU B 334 ? 0.6735 0.5249 0.4393 -0.1011 0.0265 -0.0664 334 GLU B N 6789 C CA . GLU B 334 ? 0.6622 0.5202 0.4381 -0.0876 0.0173 -0.0645 334 GLU B CA 6790 C C . GLU B 334 ? 0.7584 0.5885 0.5106 -0.0825 0.0102 -0.0605 334 GLU B C 6791 O O . GLU B 334 ? 0.7640 0.5942 0.5206 -0.0780 0.0069 -0.0617 334 GLU B O 6792 C CB . GLU B 334 ? 0.6505 0.5259 0.4398 -0.0765 0.0116 -0.0622 334 GLU B CB 6793 C CG . GLU B 334 ? 0.6424 0.5436 0.4554 -0.0780 0.0166 -0.0662 334 GLU B CG 6794 C CD . GLU B 334 ? 0.7664 0.6863 0.6005 -0.0745 0.0169 -0.0699 334 GLU B CD 6795 O OE1 . GLU B 334 ? 0.6550 0.5699 0.4872 -0.0707 0.0130 -0.0693 334 GLU B OE1 6796 O OE2 . GLU B 334 ? 0.5983 0.5369 0.4495 -0.0746 0.0205 -0.0736 334 GLU B OE2 6797 N N . GLY B 335 ? 0.7407 0.5459 0.4663 -0.0825 0.0074 -0.0560 335 GLY B N 6798 C CA . GLY B 335 ? 0.7698 0.5465 0.4703 -0.0745 -0.0011 -0.0521 335 GLY B CA 6799 C C . GLY B 335 ? 0.8413 0.5833 0.5140 -0.0842 0.0019 -0.0518 335 GLY B C 6800 O O . GLY B 335 ? 0.8360 0.5534 0.4881 -0.0750 -0.0063 -0.0491 335 GLY B O 6801 N N . SER B 336 ? 0.8444 0.5836 0.5149 -0.1025 0.0136 -0.0549 336 SER B N 6802 C CA . SER B 336 ? 0.9068 0.6098 0.5466 -0.1161 0.0184 -0.0545 336 SER B CA 6803 C C . SER B 336 ? 1.0027 0.6909 0.6370 -0.1130 0.0139 -0.0560 336 SER B C 6804 O O . SER B 336 ? 1.0455 0.6927 0.6447 -0.1132 0.0101 -0.0523 336 SER B O 6805 C CB . SER B 336 ? 0.9414 0.6514 0.5843 -0.1378 0.0331 -0.0592 336 SER B CB 6806 O OG . SER B 336 ? 0.9086 0.6533 0.5852 -0.1425 0.0386 -0.0668 336 SER B OG 6807 N N . TYR B 337 ? 0.9424 0.6602 0.6076 -0.1083 0.0130 -0.0609 337 TYR B N 6808 C CA . TYR B 337 ? 0.9477 0.6533 0.6086 -0.1041 0.0082 -0.0629 337 TYR B CA 6809 C C . TYR B 337 ? 0.9806 0.6618 0.6205 -0.0851 -0.0047 -0.0579 337 TYR B C 6810 O O . TYR B 337 ? 1.0093 0.6558 0.6227 -0.0850 -0.0082 -0.0574 337 TYR B O 6811 C CB . TYR B 337 ? 0.9320 0.6767 0.6304 -0.1000 0.0085 -0.0689 337 TYR B CB 6812 C CG . TYR B 337 ? 0.9780 0.7135 0.6734 -0.0894 0.0006 -0.0703 337 TYR B CG 6813 C CD1 . TYR B 337 ? 1.0490 0.7546 0.7229 -0.0993 0.0021 -0.0728 337 TYR B CD1 6814 C CD2 . TYR B 337 ? 0.9609 0.7152 0.6720 -0.0698 -0.0083 -0.0692 337 TYR B CD2 6815 C CE1 . TYR B 337 ? 1.0809 0.7747 0.7490 -0.0886 -0.0057 -0.0744 337 TYR B CE1 6816 C CE2 . TYR B 337 ? 0.9779 0.7225 0.6836 -0.0588 -0.0156 -0.0707 337 TYR B CE2 6817 C CZ . TYR B 337 ? 1.1321 0.8467 0.8169 -0.0677 -0.0145 -0.0735 337 TYR B CZ 6818 O OH . TYR B 337 ? 1.1491 0.8537 0.8285 -0.0570 -0.0216 -0.0760 337 TYR B OH 6819 N N . PHE B 338 ? 0.8692 0.5704 0.5222 -0.0689 -0.0119 -0.0553 338 PHE B N 6820 C CA . PHE B 338 ? 0.8513 0.5419 0.4926 -0.0483 -0.0247 -0.0522 338 PHE B CA 6821 C C . PHE B 338 ? 0.9165 0.5600 0.5141 -0.0459 -0.0300 -0.0474 338 PHE B C 6822 O O . PHE B 338 ? 0.9350 0.5589 0.5155 -0.0302 -0.0405 -0.0466 338 PHE B O 6823 C CB . PHE B 338 ? 0.8260 0.5531 0.4932 -0.0361 -0.0290 -0.0515 338 PHE B CB 6824 C CG . PHE B 338 ? 0.7941 0.5608 0.4987 -0.0362 -0.0252 -0.0557 338 PHE B CG 6825 C CD1 . PHE B 338 ? 0.7850 0.5632 0.5011 -0.0239 -0.0309 -0.0582 338 PHE B CD1 6826 C CD2 . PHE B 338 ? 0.7697 0.5599 0.4955 -0.0484 -0.0159 -0.0576 338 PHE B CD2 6827 C CE1 . PHE B 338 ? 0.7619 0.5732 0.5086 -0.0243 -0.0274 -0.0616 338 PHE B CE1 6828 C CE2 . PHE B 338 ? 0.7629 0.5855 0.5192 -0.0474 -0.0133 -0.0613 338 PHE B CE2 6829 C CZ . PHE B 338 ? 0.7307 0.5630 0.4965 -0.0356 -0.0191 -0.0629 338 PHE B CZ 6830 N N . LEU B 339 ? 0.8917 0.5154 0.4694 -0.0613 -0.0227 -0.0447 339 LEU B N 6831 C CA . LEU B 339 ? 0.9428 0.5172 0.4740 -0.0612 -0.0267 -0.0394 339 LEU B CA 6832 C C . LEU B 339 ? 1.0760 0.6066 0.5758 -0.0670 -0.0268 -0.0396 339 LEU B C 6833 O O . LEU B 339 ? 1.1036 0.5956 0.5688 -0.0543 -0.0370 -0.0361 339 LEU B O 6834 C CB . LEU B 339 ? 0.9433 0.5097 0.4616 -0.0782 -0.0171 -0.0368 339 LEU B CB 6835 C CG . LEU B 339 ? 0.9406 0.5431 0.4834 -0.0741 -0.0168 -0.0366 339 LEU B CG 6836 C CD1 . LEU B 339 ? 0.9388 0.5287 0.4644 -0.0911 -0.0071 -0.0346 339 LEU B CD1 6837 C CD2 . LEU B 339 ? 0.9410 0.5455 0.4794 -0.0512 -0.0315 -0.0338 339 LEU B CD2 6838 N N . VAL B 340 ? 1.0696 0.6059 0.5809 -0.0854 -0.0162 -0.0443 340 VAL B N 6839 C CA . VAL B 340 ? 1.1362 0.6314 0.6187 -0.0944 -0.0151 -0.0455 340 VAL B CA 6840 C C . VAL B 340 ? 1.2235 0.7154 0.7082 -0.0736 -0.0272 -0.0476 340 VAL B C 6841 O O . VAL B 340 ? 1.2686 0.7155 0.7187 -0.0720 -0.0319 -0.0469 340 VAL B O 6842 C CB . VAL B 340 ? 1.1915 0.6945 0.6845 -0.1219 -0.0002 -0.0512 340 VAL B CB 6843 C CG1 . VAL B 340 ? 1.1862 0.6962 0.6782 -0.1415 0.0123 -0.0502 340 VAL B CG1 6844 C CG2 . VAL B 340 ? 1.1418 0.6933 0.6811 -0.1200 0.0015 -0.0586 340 VAL B CG2 6845 N N . TYR B 341 ? 1.1609 0.6989 0.6842 -0.0577 -0.0321 -0.0502 341 TYR B N 6846 C CA . TYR B 341 ? 1.1593 0.7026 0.6897 -0.0374 -0.0426 -0.0531 341 TYR B CA 6847 C C . TYR B 341 ? 1.2515 0.7689 0.7546 -0.0134 -0.0570 -0.0495 341 TYR B C 6848 O O . TYR B 341 ? 1.3043 0.8012 0.7928 -0.0003 -0.0651 -0.0517 341 TYR B O 6849 C CB . TYR B 341 ? 1.1065 0.7073 0.6855 -0.0307 -0.0416 -0.0571 341 TYR B CB 6850 N N . GLY B 342 ? 1.1781 0.6965 0.6738 -0.0069 -0.0607 -0.0449 342 GLY B N 6851 C CA . GLY B 342 ? 1.1822 0.6814 0.6547 0.0178 -0.0756 -0.0428 342 GLY B CA 6852 C C . GLY B 342 ? 1.2098 0.6854 0.6532 0.0216 -0.0805 -0.0370 342 GLY B C 6853 O O . GLY B 342 ? 1.2182 0.6830 0.6453 0.0447 -0.0943 -0.0364 342 GLY B O 6854 N N . VAL B 343 ? 1.1299 0.5972 0.5650 0.0004 -0.0699 -0.0333 343 VAL B N 6855 C CA . VAL B 343 ? 1.1280 0.5694 0.5314 0.0034 -0.0744 -0.0276 343 VAL B CA 6856 C C . VAL B 343 ? 1.2155 0.5892 0.5627 -0.0070 -0.0729 -0.0228 343 VAL B C 6857 O O . VAL B 343 ? 1.2120 0.5729 0.5534 -0.0326 -0.0590 -0.0224 343 VAL B O 6858 C CB . VAL B 343 ? 1.1310 0.6056 0.5569 -0.0091 -0.0658 -0.0264 343 VAL B CB 6859 C CG1 . VAL B 343 ? 1.1480 0.5958 0.5395 -0.0030 -0.0725 -0.0210 343 VAL B CG1 6860 C CG2 . VAL B 343 ? 1.0687 0.6049 0.5462 -0.0001 -0.0671 -0.0309 343 VAL B CG2 6861 N N . PRO B 344 ? 1.2192 0.5491 0.5235 0.0119 -0.0869 -0.0192 344 PRO B N 6862 C CA . PRO B 344 ? 1.2873 0.5467 0.5324 0.0015 -0.0856 -0.0138 344 PRO B CA 6863 C C . PRO B 344 ? 1.3451 0.5908 0.5729 -0.0232 -0.0728 -0.0087 344 PRO B C 6864 O O . PRO B 344 ? 1.3196 0.5917 0.5605 -0.0203 -0.0735 -0.0072 344 PRO B O 6865 C CB . PRO B 344 ? 1.3543 0.5788 0.5620 0.0319 -0.1053 -0.0113 344 PRO B CB 6866 C CG . PRO B 344 ? 1.3683 0.6448 0.6192 0.0570 -0.1158 -0.0180 344 PRO B CG 6867 C CD . PRO B 344 ? 1.2456 0.5873 0.5516 0.0438 -0.1047 -0.0207 344 PRO B CD 6868 N N . GLY B 345 ? 1.3243 0.5303 0.5237 -0.0482 -0.0609 -0.0070 345 GLY B N 6869 C CA . GLY B 345 ? 1.3375 0.5268 0.5173 -0.0760 -0.0460 -0.0032 345 GLY B CA 6870 C C . GLY B 345 ? 1.3372 0.5718 0.5610 -0.1018 -0.0279 -0.0090 345 GLY B C 6871 O O . GLY B 345 ? 1.3690 0.5920 0.5796 -0.1286 -0.0128 -0.0080 345 GLY B O 6872 N N . PHE B 346 ? 1.2131 0.5006 0.4892 -0.0933 -0.0293 -0.0156 346 PHE B N 6873 C CA . PHE B 346 ? 1.1598 0.4942 0.4807 -0.1135 -0.0144 -0.0221 346 PHE B CA 6874 C C . PHE B 346 ? 1.2550 0.5779 0.5765 -0.1264 -0.0090 -0.0270 346 PHE B C 6875 O O . PHE B 346 ? 1.2634 0.5687 0.5763 -0.1108 -0.0197 -0.0279 346 PHE B O 6876 C CB . PHE B 346 ? 1.0977 0.4979 0.4745 -0.0993 -0.0176 -0.0261 346 PHE B CB 6877 C CG . PHE B 346 ? 1.0867 0.5052 0.4687 -0.0959 -0.0178 -0.0230 346 PHE B CG 6878 C CD1 . PHE B 346 ? 1.1229 0.5285 0.4865 -0.0737 -0.0321 -0.0186 346 PHE B CD1 6879 C CD2 . PHE B 346 ? 1.0758 0.5248 0.4806 -0.1143 -0.0040 -0.0254 346 PHE B CD2 6880 C CE1 . PHE B 346 ? 1.1192 0.5414 0.4868 -0.0713 -0.0327 -0.0164 346 PHE B CE1 6881 C CE2 . PHE B 346 ? 1.0989 0.5620 0.5061 -0.1114 -0.0042 -0.0230 346 PHE B CE2 6882 C CZ . PHE B 346 ? 1.0868 0.5367 0.4758 -0.0904 -0.0186 -0.0185 346 PHE B CZ 6883 N N . SER B 347 ? 1.2228 0.5562 0.5539 -0.1553 0.0077 -0.0310 347 SER B N 6884 C CA . SER B 347 ? 1.2256 0.5532 0.5601 -0.1731 0.0152 -0.0372 347 SER B CA 6885 C C . SER B 347 ? 1.2137 0.5879 0.5860 -0.1968 0.0317 -0.0444 347 SER B C 6886 O O . SER B 347 ? 1.1793 0.5638 0.5517 -0.2089 0.0411 -0.0431 347 SER B O 6887 C CB . SER B 347 ? 1.3541 0.6104 0.6284 -0.1885 0.0178 -0.0331 347 SER B CB 6888 O OG . SER B 347 ? 1.4802 0.7296 0.7563 -0.2078 0.0253 -0.0397 347 SER B OG 6889 N N . LYS B 348 ? 1.1639 0.5644 0.5658 -0.2037 0.0351 -0.0527 348 LYS B N 6890 C CA . LYS B 348 ? 1.1264 0.5712 0.5637 -0.2257 0.0499 -0.0614 348 LYS B CA 6891 C C . LYS B 348 ? 1.2206 0.6316 0.6252 -0.2586 0.0644 -0.0631 348 LYS B C 6892 O O . LYS B 348 ? 1.2004 0.6437 0.6265 -0.2798 0.0786 -0.0700 348 LYS B O 6893 C CB . LYS B 348 ? 1.1068 0.5902 0.5849 -0.2206 0.0471 -0.0701 348 LYS B CB 6894 C CG . LYS B 348 ? 1.1071 0.5579 0.5644 -0.2330 0.0476 -0.0743 348 LYS B CG 6895 C CD . LYS B 348 ? 1.1727 0.6682 0.6728 -0.2341 0.0483 -0.0847 348 LYS B CD 6896 C CE . LYS B 348 ? 1.1379 0.6077 0.6210 -0.2544 0.0525 -0.0914 348 LYS B CE 6897 N NZ . LYS B 348 ? 1.1803 0.6431 0.6511 -0.2884 0.0691 -0.0957 348 LYS B NZ 6898 N N . ASP B 349 ? 1.2340 0.5799 0.5858 -0.2628 0.0608 -0.0576 349 ASP B N 6899 C CA . ASP B 349 ? 1.2828 0.5878 0.5971 -0.2949 0.0739 -0.0589 349 ASP B CA 6900 C C . ASP B 349 ? 1.3746 0.6409 0.6449 -0.3079 0.0814 -0.0509 349 ASP B C 6901 O O . ASP B 349 ? 1.4253 0.6567 0.6618 -0.3371 0.0939 -0.0516 349 ASP B O 6902 C CB . ASP B 349 ? 1.3430 0.5964 0.6236 -0.2946 0.0664 -0.0586 349 ASP B CB 6903 C CG . ASP B 349 ? 1.3490 0.6417 0.6719 -0.2900 0.0630 -0.0686 349 ASP B CG 6904 O OD1 . ASP B 349 ? 1.2882 0.6309 0.6508 -0.3072 0.0742 -0.0782 349 ASP B OD1 6905 O OD2 . ASP B 349 ? 1.4361 0.7116 0.7530 -0.2678 0.0487 -0.0671 349 ASP B OD2 6906 N N . ASN B 350 ? 1.3011 0.5750 0.5720 -0.2878 0.0745 -0.0440 350 ASN B N 6907 C CA . ASN B 350 ? 1.3239 0.5677 0.5568 -0.2970 0.0806 -0.0366 350 ASN B CA 6908 C C . ASN B 350 ? 1.3050 0.6016 0.5755 -0.2843 0.0806 -0.0368 350 ASN B C 6909 O O . ASN B 350 ? 1.2456 0.5932 0.5652 -0.2664 0.0739 -0.0414 350 ASN B O 6910 C CB . ASN B 350 ? 1.3549 0.5221 0.5224 -0.2853 0.0688 -0.0252 350 ASN B CB 6911 C CG . ASN B 350 ? 1.8519 1.0148 1.0196 -0.2466 0.0474 -0.0196 350 ASN B CG 6912 O OD1 . ASN B 350 ? 1.6502 0.8621 0.8573 -0.2278 0.0417 -0.0204 350 ASN B OD1 6913 N ND2 . ASN B 350 ? 2.0235 1.1247 1.1436 -0.2354 0.0356 -0.0140 350 ASN B ND2 6914 N N . GLU B 351 ? 1.2703 0.5532 0.5161 -0.2941 0.0883 -0.0322 351 GLU B N 6915 C CA A GLU B 351 ? 1.2204 0.5455 0.4936 -0.2852 0.0895 -0.0323 351 GLU B CA 6916 C CA B GLU B 351 ? 1.2167 0.5462 0.4946 -0.2846 0.0894 -0.0331 351 GLU B CA 6917 C C . GLU B 351 ? 1.2489 0.5796 0.5296 -0.2503 0.0702 -0.0265 351 GLU B C 6918 O O . GLU B 351 ? 1.2073 0.5776 0.5167 -0.2405 0.0693 -0.0275 351 GLU B O 6919 C CB A GLU B 351 ? 1.2765 0.5763 0.5125 -0.3055 0.1025 -0.0286 351 GLU B CB 6920 C CB B GLU B 351 ? 1.2610 0.5804 0.5146 -0.3077 0.1052 -0.0319 351 GLU B CB 6921 C CG A GLU B 351 ? 1.3927 0.7034 0.6315 -0.3413 0.1243 -0.0365 351 GLU B CG 6922 C CG B GLU B 351 ? 1.3613 0.7222 0.6458 -0.3359 0.1250 -0.0433 351 GLU B CG 6923 C CD A GLU B 351 ? 1.5642 0.8528 0.7667 -0.3610 0.1378 -0.0330 351 GLU B CD 6924 C CD B GLU B 351 ? 1.5151 0.9502 0.8642 -0.3265 0.1265 -0.0524 351 GLU B CD 6925 O OE1 A GLU B 351 ? 1.3890 0.7234 0.6213 -0.3644 0.1467 -0.0382 351 GLU B OE1 6926 O OE1 B GLU B 351 ? 1.4158 0.8744 0.7754 -0.3235 0.1303 -0.0526 351 GLU B OE1 6927 O OE2 A GLU B 351 ? 1.5228 0.7462 0.6650 -0.3718 0.1391 -0.0249 351 GLU B OE2 6928 O OE2 B GLU B 351 ? 1.3824 0.8501 0.7698 -0.3217 0.1233 -0.0594 351 GLU B OE2 6929 N N . SER B 352 ? 1.2317 0.5223 0.4851 -0.2318 0.0547 -0.0209 352 SER B N 6930 C CA . SER B 352 ? 1.2117 0.5050 0.4691 -0.1983 0.0353 -0.0164 352 SER B CA 6931 C C . SER B 352 ? 1.2861 0.5745 0.5267 -0.1893 0.0314 -0.0105 352 SER B C 6932 O O . SER B 352 ? 1.2415 0.5661 0.5118 -0.1687 0.0219 -0.0111 352 SER B O 6933 C CB . SER B 352 ? 1.1396 0.4934 0.4572 -0.1827 0.0299 -0.0231 352 SER B CB 6934 O OG . SER B 352 ? 1.1682 0.5203 0.4954 -0.1867 0.0302 -0.0279 352 SER B OG 6935 N N . LEU B 353 ? 1.3114 0.5535 0.5023 -0.2057 0.0388 -0.0051 353 LEU B N 6936 C CA . LEU B 353 ? 1.3379 0.5665 0.5036 -0.1985 0.0349 0.0009 353 LEU B CA 6937 C C . LEU B 353 ? 1.4505 0.6437 0.5861 -0.1688 0.0132 0.0074 353 LEU B C 6938 O O . LEU B 353 ? 1.5187 0.6574 0.6112 -0.1670 0.0076 0.0117 353 LEU B O 6939 C CB . LEU B 353 ? 1.3890 0.5768 0.5079 -0.2265 0.0504 0.0046 353 LEU B CB 6940 C CG . LEU B 353 ? 1.4138 0.6380 0.5612 -0.2574 0.0731 -0.0034 353 LEU B CG 6941 C CD1 . LEU B 353 ? 1.4690 0.6543 0.5683 -0.2831 0.0878 0.0004 353 LEU B CD1 6942 C CD2 . LEU B 353 ? 1.3348 0.6313 0.5431 -0.2505 0.0758 -0.0106 353 LEU B CD2 6943 N N . ILE B 354 ? 1.3735 0.6006 0.5347 -0.1449 0.0008 0.0071 354 ILE B N 6944 C CA . ILE B 354 ? 1.3815 0.5891 0.5250 -0.1139 -0.0208 0.0108 354 ILE B CA 6945 C C . ILE B 354 ? 1.4718 0.6577 0.5810 -0.1023 -0.0299 0.0166 354 ILE B C 6946 O O . ILE B 354 ? 1.4568 0.6593 0.5706 -0.1144 -0.0207 0.0166 354 ILE B O 6947 C CB . ILE B 354 ? 1.3381 0.6031 0.5391 -0.0928 -0.0305 0.0045 354 ILE B CB 6948 C CG1 . ILE B 354 ? 1.2663 0.5930 0.5159 -0.0939 -0.0257 0.0002 354 ILE B CG1 6949 C CG2 . ILE B 354 ? 1.3142 0.5885 0.5379 -0.0995 -0.0255 -0.0004 354 ILE B CG2 6950 C CD1 . ILE B 354 ? 1.2128 0.5853 0.5036 -0.0685 -0.0395 -0.0036 354 ILE B CD1 6951 N N . SER B 355 ? 1.4741 0.6244 0.5497 -0.0772 -0.0488 0.0207 355 SER B N 6952 C CA . SER B 355 ? 1.5023 0.6310 0.5439 -0.0607 -0.0617 0.0256 355 SER B CA 6953 C C . SER B 355 ? 1.4875 0.6772 0.5777 -0.0390 -0.0731 0.0203 355 SER B C 6954 O O . SER B 355 ? 1.4263 0.6655 0.5692 -0.0338 -0.0731 0.0139 355 SER B O 6955 C CB . SER B 355 ? 1.6210 0.6854 0.6054 -0.0410 -0.0783 0.0312 355 SER B CB 6956 O OG . SER B 355 ? 1.7332 0.8193 0.7436 -0.0141 -0.0939 0.0265 355 SER B OG 6957 N N . ARG B 356 ? 1.4523 0.6358 0.5218 -0.0262 -0.0836 0.0229 356 ARG B N 6958 C CA . ARG B 356 ? 1.4075 0.6429 0.5152 -0.0059 -0.0959 0.0178 356 ARG B CA 6959 C C . ARG B 356 ? 1.4410 0.6895 0.5649 0.0226 -0.1136 0.0140 356 ARG B C 6960 O O . ARG B 356 ? 1.3762 0.6824 0.5537 0.0308 -0.1161 0.0074 356 ARG B O 6961 C CB . ARG B 356 ? 1.4433 0.6601 0.5161 0.0017 -0.1045 0.0214 356 ARG B CB 6962 C CG . ARG B 356 ? 1.5165 0.7889 0.6294 0.0189 -0.1159 0.0153 356 ARG B CG 6963 C CD . ARG B 356 ? 1.5810 0.8630 0.6886 0.0085 -0.1108 0.0159 356 ARG B CD 6964 N NE . ARG B 356 ? 1.5715 0.9115 0.7243 0.0217 -0.1200 0.0088 356 ARG B NE 6965 C CZ . ARG B 356 ? 1.5990 0.9929 0.8062 0.0107 -0.1096 0.0030 356 ARG B CZ 6966 N NH1 . ARG B 356 ? 1.3874 0.7871 0.6118 -0.0124 -0.0902 0.0030 356 ARG B NH1 6967 N NH2 . ARG B 356 ? 1.3923 0.8338 0.6355 0.0223 -0.1187 -0.0032 356 ARG B NH2 6968 N N . ALA B 357 ? 1.4437 0.6373 0.5202 0.0368 -0.1250 0.0180 357 ALA B N 6969 C CA . ALA B 357 ? 1.4306 0.6295 0.5152 0.0650 -0.1419 0.0141 357 ALA B CA 6970 C C . ALA B 357 ? 1.4011 0.6378 0.5349 0.0577 -0.1327 0.0085 357 ALA B C 6971 O O . ALA B 357 ? 1.3531 0.6374 0.5288 0.0753 -0.1412 0.0019 357 ALA B O 6972 C CB . ALA B 357 ? 1.5178 0.6414 0.5360 0.0777 -0.1530 0.0199 357 ALA B CB 6973 N N . GLN B 358 ? 1.3455 0.5654 0.4765 0.0302 -0.1145 0.0106 358 GLN B N 6974 C CA . GLN B 358 ? 1.2877 0.5405 0.4624 0.0203 -0.1045 0.0054 358 GLN B CA 6975 C C . GLN B 358 ? 1.2597 0.5853 0.4977 0.0158 -0.0980 -0.0004 358 GLN B C 6976 O O . GLN B 358 ? 1.1987 0.5631 0.4784 0.0216 -0.0983 -0.0059 358 GLN B O 6977 C CB . GLN B 358 ? 1.3266 0.5446 0.4809 -0.0090 -0.0871 0.0082 358 GLN B CB 6978 C CG . GLN B 358 ? 1.4779 0.6239 0.5738 -0.0051 -0.0931 0.0128 358 GLN B CG 6979 C CD . GLN B 358 ? 1.6348 0.7467 0.7091 -0.0373 -0.0749 0.0150 358 GLN B CD 6980 O OE1 . GLN B 358 ? 1.5620 0.6710 0.6284 -0.0615 -0.0604 0.0175 358 GLN B OE1 6981 N NE2 . GLN B 358 ? 1.5790 0.6630 0.6410 -0.0385 -0.0754 0.0137 358 GLN B NE2 6982 N N . PHE B 359 ? 1.2093 0.5512 0.4520 0.0062 -0.0927 0.0008 359 PHE B N 6983 C CA . PHE B 359 ? 1.1358 0.5414 0.4331 0.0026 -0.0876 -0.0045 359 PHE B CA 6984 C C . PHE B 359 ? 1.1641 0.6064 0.4870 0.0293 -0.1044 -0.0090 359 PHE B C 6985 O O . PHE B 359 ? 1.0973 0.5884 0.4680 0.0308 -0.1021 -0.0144 359 PHE B O 6986 C CB . PHE B 359 ? 1.1476 0.5552 0.4376 -0.0140 -0.0781 -0.0024 359 PHE B CB 6987 C CG . PHE B 359 ? 1.0947 0.5612 0.4341 -0.0164 -0.0743 -0.0076 359 PHE B CG 6988 C CD1 . PHE B 359 ? 1.0699 0.5763 0.4552 -0.0274 -0.0630 -0.0122 359 PHE B CD1 6989 C CD2 . PHE B 359 ? 1.1075 0.5869 0.4448 -0.0084 -0.0820 -0.0079 359 PHE B CD2 6990 C CE1 . PHE B 359 ? 1.0300 0.5854 0.4566 -0.0296 -0.0597 -0.0166 359 PHE B CE1 6991 C CE2 . PHE B 359 ? 1.0800 0.6095 0.4599 -0.0123 -0.0781 -0.0128 359 PHE B CE2 6992 C CZ . PHE B 359 ? 1.0104 0.5760 0.4337 -0.0227 -0.0669 -0.0169 359 PHE B CZ 6993 N N . LEU B 360 ? 1.1863 0.6053 0.4765 0.0503 -0.1212 -0.0073 360 LEU B N 6994 C CA . LEU B 360 ? 1.1804 0.6344 0.4918 0.0766 -0.1383 -0.0128 360 LEU B CA 6995 C C . LEU B 360 ? 1.1972 0.6663 0.5305 0.0902 -0.1431 -0.0173 360 LEU B C 6996 O O . LEU B 360 ? 1.1397 0.6613 0.5170 0.0992 -0.1465 -0.0237 360 LEU B O 6997 C CB . LEU B 360 ? 1.2459 0.6664 0.5123 0.0980 -0.1565 -0.0105 360 LEU B CB 6998 C CG . LEU B 360 ? 1.3712 0.7658 0.6035 0.0884 -0.1549 -0.0054 360 LEU B CG 6999 C CD1 . LEU B 360 ? 1.4534 0.7991 0.6297 0.1103 -0.1731 -0.0019 360 LEU B CD1 7000 C CD2 . LEU B 360 ? 1.3872 0.8336 0.6557 0.0849 -0.1541 -0.0099 360 LEU B CD2 7001 N N . ALA B 361 ? 1.1840 0.6057 0.4848 0.0908 -0.1429 -0.0142 361 ALA B N 7002 C CA . ALA B 361 ? 1.1703 0.5978 0.4850 0.1030 -0.1469 -0.0183 361 ALA B CA 7003 C C . ALA B 361 ? 1.1282 0.5991 0.4925 0.0859 -0.1320 -0.0219 361 ALA B C 7004 O O . ALA B 361 ? 1.1080 0.6159 0.5060 0.0980 -0.1360 -0.0277 361 ALA B O 7005 C CB . ALA B 361 ? 1.2462 0.6060 0.5089 0.1042 -0.1491 -0.0138 361 ALA B CB 7006 N N . GLY B 362 ? 1.0469 0.5147 0.4153 0.0587 -0.1152 -0.0188 362 GLY B N 7007 C CA . GLY B 362 ? 0.9884 0.4951 0.4008 0.0416 -0.1009 -0.0220 362 GLY B CA 7008 C C . GLY B 362 ? 0.9892 0.5568 0.4497 0.0466 -0.1019 -0.0268 362 GLY B C 7009 O O . GLY B 362 ? 0.9571 0.5603 0.4548 0.0465 -0.0981 -0.0310 362 GLY B O 7010 N N . VAL B 363 ? 0.9594 0.5380 0.4174 0.0506 -0.1071 -0.0262 363 VAL B N 7011 C CA . VAL B 363 ? 0.8971 0.5304 0.3966 0.0545 -0.1088 -0.0308 363 VAL B CA 7012 C C . VAL B 363 ? 0.9250 0.5876 0.4460 0.0765 -0.1207 -0.0365 363 VAL B C 7013 O O . VAL B 363 ? 0.8643 0.5725 0.4262 0.0747 -0.1169 -0.0408 363 VAL B O 7014 C CB . VAL B 363 ? 0.9473 0.5820 0.4353 0.0535 -0.1126 -0.0296 363 VAL B CB 7015 C CG1 . VAL B 363 ? 0.9083 0.5959 0.4340 0.0611 -0.1182 -0.0353 363 VAL B CG1 7016 C CG2 . VAL B 363 ? 0.9393 0.5605 0.4195 0.0292 -0.0975 -0.0259 363 VAL B CG2 7017 N N . ARG B 364 ? 0.9279 0.5634 0.4200 0.0972 -0.1345 -0.0368 364 ARG B N 7018 C CA . ARG B 364 ? 0.9224 0.5843 0.4319 0.1200 -0.1461 -0.0432 364 ARG B CA 7019 C C . ARG B 364 ? 0.9657 0.6416 0.4995 0.1158 -0.1381 -0.0456 364 ARG B C 7020 O O . ARG B 364 ? 0.9374 0.6567 0.5051 0.1249 -0.1405 -0.0515 364 ARG B O 7021 C CB . ARG B 364 ? 0.9582 0.5827 0.4269 0.1445 -0.1631 -0.0433 364 ARG B CB 7022 C CG . ARG B 364 ? 1.1255 0.7359 0.5669 0.1541 -0.1746 -0.0419 364 ARG B CG 7023 C CD . ARG B 364 ? 1.2022 0.8624 0.6760 0.1496 -0.1745 -0.0455 364 ARG B CD 7024 N NE . ARG B 364 ? 1.1411 0.8581 0.6554 0.1638 -0.1813 -0.0545 364 ARG B NE 7025 C CZ . ARG B 364 ? 1.2702 1.0072 0.7843 0.1863 -0.1977 -0.0609 364 ARG B CZ 7026 N NH1 . ARG B 364 ? 1.1498 0.8516 0.6230 0.1995 -0.2106 -0.0587 364 ARG B NH1 7027 N NH2 . ARG B 364 ? 1.0325 0.8251 0.5863 0.1956 -0.2014 -0.0697 364 ARG B NH2 7028 N N . ILE B 365 ? 0.9421 0.5826 0.4587 0.1011 -0.1283 -0.0414 365 ILE B N 7029 C CA . ILE B 365 ? 0.9084 0.5578 0.4446 0.0951 -0.1203 -0.0436 365 ILE B CA 7030 C C . ILE B 365 ? 0.9101 0.6032 0.4890 0.0770 -0.1069 -0.0448 365 ILE B C 7031 O O . ILE B 365 ? 0.8442 0.5694 0.4537 0.0793 -0.1044 -0.0488 365 ILE B O 7032 C CB . ILE B 365 ? 0.9782 0.5725 0.4779 0.0852 -0.1156 -0.0396 365 ILE B CB 7033 C CG1 . ILE B 365 ? 1.0310 0.5781 0.4855 0.1054 -0.1300 -0.0385 365 ILE B CG1 7034 C CG2 . ILE B 365 ? 0.9528 0.5573 0.4735 0.0768 -0.1069 -0.0425 365 ILE B CG2 7035 C CD1 . ILE B 365 ? 1.1563 0.6398 0.5637 0.0923 -0.1255 -0.0327 365 ILE B CD1 7036 N N . GLY B 366 ? 0.8811 0.5727 0.4589 0.0599 -0.0988 -0.0413 366 GLY B N 7037 C CA . GLY B 366 ? 0.8316 0.5578 0.4440 0.0431 -0.0865 -0.0422 366 GLY B CA 7038 C C . GLY B 366 ? 0.8391 0.6127 0.4844 0.0493 -0.0898 -0.0458 366 GLY B C 7039 O O . GLY B 366 ? 0.8060 0.6106 0.4825 0.0401 -0.0815 -0.0475 366 GLY B O 7040 N N . VAL B 367 ? 0.7864 0.5654 0.4237 0.0641 -0.1018 -0.0472 367 VAL B N 7041 C CA . VAL B 367 ? 0.7403 0.5658 0.4081 0.0693 -0.1055 -0.0517 367 VAL B CA 7042 C C . VAL B 367 ? 0.7875 0.6221 0.4530 0.0930 -0.1194 -0.0564 367 VAL B C 7043 O O . VAL B 367 ? 0.7822 0.6155 0.4341 0.1057 -0.1310 -0.0581 367 VAL B O 7044 C CB . VAL B 367 ? 0.7751 0.6057 0.4397 0.0620 -0.1059 -0.0506 367 VAL B CB 7045 C CG1 . VAL B 367 ? 0.7285 0.6075 0.4296 0.0590 -0.1044 -0.0551 367 VAL B CG1 7046 C CG2 . VAL B 367 ? 0.7683 0.5734 0.4196 0.0423 -0.0941 -0.0457 367 VAL B CG2 7047 N N . PRO B 368 ? 0.7538 0.5949 0.4295 0.1003 -0.1191 -0.0591 368 PRO B N 7048 C CA . PRO B 368 ? 0.7618 0.6067 0.4309 0.1248 -0.1325 -0.0643 368 PRO B CA 7049 C C . PRO B 368 ? 0.8058 0.6999 0.5012 0.1364 -0.1399 -0.0714 368 PRO B C 7050 O O . PRO B 368 ? 0.8182 0.7152 0.5041 0.1581 -0.1532 -0.0763 368 PRO B O 7051 C CB . PRO B 368 ? 0.7695 0.6097 0.4444 0.1261 -0.1277 -0.0654 368 PRO B CB 7052 C CG . PRO B 368 ? 0.7871 0.6446 0.4872 0.1044 -0.1128 -0.0631 368 PRO B CG 7053 C CD . PRO B 368 ? 0.7401 0.5830 0.4308 0.0880 -0.1072 -0.0580 368 PRO B CD 7054 N N . GLN B 369 ? 0.7552 0.6872 0.4821 0.1221 -0.1317 -0.0725 369 GLN B N 7055 C CA . GLN B 369 ? 0.7506 0.7316 0.5042 0.1280 -0.1366 -0.0795 369 GLN B CA 7056 C C . GLN B 369 ? 0.8411 0.8219 0.5833 0.1301 -0.1451 -0.0802 369 GLN B C 7057 O O . GLN B 369 ? 0.8602 0.8789 0.6191 0.1385 -0.1527 -0.0874 369 GLN B O 7058 C CB . GLN B 369 ? 0.7395 0.7554 0.5273 0.1098 -0.1237 -0.0798 369 GLN B CB 7059 C CG . GLN B 369 ? 1.0348 1.0425 0.8235 0.0885 -0.1147 -0.0746 369 GLN B CG 7060 C CD . GLN B 369 ? 1.1473 1.1250 0.9279 0.0748 -0.1033 -0.0680 369 GLN B CD 7061 O OE1 . GLN B 369 ? 0.8820 0.8223 0.6375 0.0782 -0.1045 -0.0646 369 GLN B OE1 7062 N NE2 . GLN B 369 ? 1.1934 1.1874 0.9949 0.0589 -0.0923 -0.0667 369 GLN B NE2 7063 N N . ALA B 370 ? 0.8040 0.7440 0.5179 0.1219 -0.1436 -0.0734 370 ALA B N 7064 C CA . ALA B 370 ? 0.8035 0.7395 0.5034 0.1226 -0.1511 -0.0735 370 ALA B CA 7065 C C . ALA B 370 ? 0.8912 0.8227 0.5713 0.1476 -0.1691 -0.0781 370 ALA B C 7066 O O . ALA B 370 ? 0.9207 0.8186 0.5742 0.1622 -0.1754 -0.0765 370 ALA B O 7067 C CB . ALA B 370 ? 0.8261 0.7181 0.4983 0.1077 -0.1441 -0.0652 370 ALA B CB 7068 N N . SER B 371 ? 0.8385 0.8026 0.5301 0.1526 -0.1778 -0.0843 371 SER B N 7069 C CA . SER B 371 ? 0.8703 0.8358 0.5446 0.1764 -0.1963 -0.0899 371 SER B CA 7070 C C . SER B 371 ? 0.9582 0.8683 0.5869 0.1763 -0.2006 -0.0821 371 SER B C 7071 O O . SER B 371 ? 0.9487 0.8302 0.5666 0.1561 -0.1879 -0.0740 371 SER B O 7072 C CB . SER B 371 ? 0.8964 0.9151 0.5989 0.1760 -0.2020 -0.0989 371 SER B CB 7073 O OG . SER B 371 ? 0.9692 0.9859 0.6728 0.1550 -0.1949 -0.0953 371 SER B OG 7074 N N . ASP B 372 ? 0.9522 0.8479 0.5535 0.1987 -0.2181 -0.0850 372 ASP B N 7075 C CA . ASP B 372 ? 1.0004 0.8424 0.5543 0.2000 -0.2234 -0.0777 372 ASP B CA 7076 C C . ASP B 372 ? 1.0350 0.8812 0.5917 0.1786 -0.2159 -0.0747 372 ASP B C 7077 O O . ASP B 372 ? 1.0580 0.8605 0.5865 0.1647 -0.2077 -0.0659 372 ASP B O 7078 C CB . ASP B 372 ? 1.0696 0.9012 0.5955 0.2306 -0.2457 -0.0827 372 ASP B CB 7079 C CG . ASP B 372 ? 1.2561 1.0606 0.7616 0.2530 -0.2537 -0.0832 372 ASP B CG 7080 O OD1 . ASP B 372 ? 1.2536 1.0643 0.7780 0.2469 -0.2432 -0.0827 372 ASP B OD1 7081 O OD2 . ASP B 372 ? 1.4174 1.1935 0.8865 0.2774 -0.2710 -0.0844 372 ASP B OD2 7082 N N . LEU B 373 ? 0.9424 0.8417 0.5338 0.1747 -0.2178 -0.0826 373 LEU B N 7083 C CA . LEU B 373 ? 0.9155 0.8226 0.5122 0.1550 -0.2114 -0.0814 373 LEU B CA 7084 C C . LEU B 373 ? 0.9012 0.8029 0.5132 0.1277 -0.1903 -0.0751 373 LEU B C 7085 O O . LEU B 373 ? 0.9062 0.7818 0.5002 0.1129 -0.1832 -0.0695 373 LEU B O 7086 C CB . LEU B 373 ? 0.8918 0.8564 0.5203 0.1581 -0.2199 -0.0925 373 LEU B CB 7087 C CG . LEU B 373 ? 0.9218 0.8962 0.5546 0.1398 -0.2160 -0.0931 373 LEU B CG 7088 C CD1 . LEU B 373 ? 0.9716 0.9048 0.5594 0.1463 -0.2256 -0.0890 373 LEU B CD1 7089 C CD2 . LEU B 373 ? 0.9088 0.9443 0.5791 0.1398 -0.2219 -0.1050 373 LEU B CD2 7090 N N . ALA B 374 ? 0.8243 0.7501 0.4680 0.1222 -0.1809 -0.0765 374 ALA B N 7091 C CA . ALA B 374 ? 0.7931 0.7150 0.4519 0.0995 -0.1622 -0.0713 374 ALA B CA 7092 C C . ALA B 374 ? 0.8585 0.7266 0.4839 0.0937 -0.1549 -0.0622 374 ALA B C 7093 O O . ALA B 374 ? 0.8425 0.6970 0.4657 0.0747 -0.1424 -0.0577 374 ALA B O 7094 C CB . ALA B 374 ? 0.7716 0.7273 0.4660 0.0986 -0.1559 -0.0748 374 ALA B CB 7095 N N . ALA B 375 ? 0.8548 0.6923 0.4537 0.1098 -0.1627 -0.0602 375 ALA B N 7096 C CA . ALA B 375 ? 0.8935 0.6775 0.4577 0.1037 -0.1563 -0.0520 375 ALA B CA 7097 C C . ALA B 375 ? 0.9362 0.6864 0.4651 0.0971 -0.1570 -0.0472 375 ALA B C 7098 O O . ALA B 375 ? 0.9445 0.6645 0.4571 0.0800 -0.1446 -0.0411 375 ALA B O 7099 C CB . ALA B 375 ? 0.9402 0.6980 0.4816 0.1237 -0.1661 -0.0517 375 ALA B CB 7100 N N . GLU B 376 ? 0.9063 0.6645 0.4248 0.1099 -0.1711 -0.0507 376 GLU B N 7101 C CA A GLU B 376 ? 0.9287 0.6581 0.4133 0.1053 -0.1735 -0.0470 376 GLU B CA 7102 C CA B GLU B 376 ? 0.9271 0.6554 0.4113 0.1048 -0.1730 -0.0468 376 GLU B CA 7103 C C . GLU B 376 ? 0.9380 0.6848 0.4428 0.0813 -0.1590 -0.0466 376 GLU B C 7104 O O . GLU B 376 ? 0.9458 0.6604 0.4256 0.0674 -0.1501 -0.0410 376 GLU B O 7105 C CB A GLU B 376 ? 0.9689 0.7094 0.4418 0.1267 -0.1938 -0.0525 376 GLU B CB 7106 C CB B GLU B 376 ? 0.9706 0.7043 0.4383 0.1264 -0.1934 -0.0515 376 GLU B CB 7107 C CG A GLU B 376 ? 1.1496 0.8524 0.5831 0.1508 -0.2089 -0.0507 376 GLU B CG 7108 C CG B GLU B 376 ? 1.1202 0.8105 0.5403 0.1256 -0.1978 -0.0462 376 GLU B CG 7109 C CD A GLU B 376 ? 1.4076 1.1258 0.8325 0.1772 -0.2312 -0.0579 376 GLU B CD 7110 C CD B GLU B 376 ? 1.3448 0.9693 0.7130 0.1257 -0.1957 -0.0368 376 GLU B CD 7111 O OE1 A GLU B 376 ? 1.2902 1.0621 0.7510 0.1791 -0.2361 -0.0667 376 GLU B OE1 7112 O OE1 B GLU B 376 ? 1.2531 0.8589 0.6146 0.1331 -0.1958 -0.0348 376 GLU B OE1 7113 O OE2 A GLU B 376 ? 1.3759 1.0522 0.7576 0.1964 -0.2441 -0.0551 376 GLU B OE2 7114 O OE2 B GLU B 376 ? 1.2642 0.8543 0.5961 0.1181 -0.1941 -0.0316 376 GLU B OE2 7115 N N . ALA B 377 ? 0.8483 0.6453 0.3977 0.0760 -0.1559 -0.0529 377 ALA B N 7116 C CA . ALA B 377 ? 0.8208 0.6350 0.3908 0.0549 -0.1429 -0.0534 377 ALA B CA 7117 C C . ALA B 377 ? 0.8391 0.6309 0.4074 0.0376 -0.1251 -0.0475 377 ALA B C 7118 O O . ALA B 377 ? 0.8325 0.6119 0.3922 0.0223 -0.1153 -0.0453 377 ALA B O 7119 C CB . ALA B 377 ? 0.7871 0.6541 0.4025 0.0527 -0.1425 -0.0606 377 ALA B CB 7120 N N . VAL B 378 ? 0.7783 0.5653 0.3537 0.0406 -0.1214 -0.0458 378 VAL B N 7121 C CA . VAL B 378 ? 0.7485 0.5177 0.3244 0.0256 -0.1058 -0.0415 378 VAL B CA 7122 C C . VAL B 378 ? 0.8454 0.5657 0.3774 0.0191 -0.1022 -0.0354 378 VAL B C 7123 O O . VAL B 378 ? 0.8549 0.5670 0.3846 0.0017 -0.0890 -0.0337 378 VAL B O 7124 C CB . VAL B 378 ? 0.7599 0.5339 0.3502 0.0320 -0.1048 -0.0417 378 VAL B CB 7125 C CG1 . VAL B 378 ? 0.7489 0.5003 0.3340 0.0170 -0.0904 -0.0378 378 VAL B CG1 7126 C CG2 . VAL B 378 ? 0.7060 0.5282 0.3397 0.0342 -0.1048 -0.0473 378 VAL B CG2 7127 N N . VAL B 379 ? 0.8359 0.5240 0.3325 0.0334 -0.1137 -0.0327 379 VAL B N 7128 C CA . VAL B 379 ? 0.8935 0.5298 0.3417 0.0285 -0.1118 -0.0264 379 VAL B CA 7129 C C . VAL B 379 ? 0.9856 0.6181 0.4208 0.0175 -0.1079 -0.0258 379 VAL B C 7130 O O . VAL B 379 ? 0.9990 0.6065 0.4152 0.0007 -0.0951 -0.0220 379 VAL B O 7131 C CB . VAL B 379 ? 0.9755 0.5785 0.3864 0.0500 -0.1284 -0.0242 379 VAL B CB 7132 C CG1 . VAL B 379 ? 1.0196 0.5697 0.3758 0.0469 -0.1296 -0.0178 379 VAL B CG1 7133 C CG2 . VAL B 379 ? 0.9745 0.5658 0.3870 0.0562 -0.1283 -0.0235 379 VAL B CG2 7134 N N . LEU B 380 ? 0.9570 0.6166 0.4040 0.0260 -0.1181 -0.0303 380 LEU B N 7135 C CA . LEU B 380 ? 0.9760 0.6325 0.4100 0.0170 -0.1159 -0.0306 380 LEU B CA 7136 C C . LEU B 380 ? 0.9818 0.6590 0.4431 -0.0039 -0.0986 -0.0324 380 LEU B C 7137 O O . LEU B 380 ? 1.0112 0.6700 0.4528 -0.0167 -0.0898 -0.0306 380 LEU B O 7138 C CB . LEU B 380 ? 0.9865 0.6657 0.4239 0.0320 -0.1329 -0.0358 380 LEU B CB 7139 C CG . LEU B 380 ? 1.1022 0.7596 0.5080 0.0555 -0.1520 -0.0348 380 LEU B CG 7140 C CD1 . LEU B 380 ? 1.0977 0.7912 0.5192 0.0704 -0.1685 -0.0426 380 LEU B CD1 7141 C CD2 . LEU B 380 ? 1.2118 0.8137 0.5605 0.0551 -0.1536 -0.0278 380 LEU B CD2 7142 N N . HIS B 381 ? 0.8806 0.5928 0.3842 -0.0069 -0.0933 -0.0361 381 HIS B N 7143 C CA . HIS B 381 ? 0.8383 0.5693 0.3680 -0.0240 -0.0780 -0.0382 381 HIS B CA 7144 C C . HIS B 381 ? 0.8952 0.6013 0.4127 -0.0381 -0.0626 -0.0344 381 HIS B C 7145 O O . HIS B 381 ? 0.8970 0.6028 0.4150 -0.0524 -0.0506 -0.0355 381 HIS B O 7146 C CB . HIS B 381 ? 0.7880 0.5597 0.3625 -0.0220 -0.0776 -0.0426 381 HIS B CB 7147 C CG . HIS B 381 ? 0.7921 0.5820 0.3922 -0.0369 -0.0638 -0.0450 381 HIS B CG 7148 N ND1 . HIS B 381 ? 0.8017 0.6094 0.4127 -0.0424 -0.0632 -0.0491 381 HIS B ND1 7149 C CD2 . HIS B 381 ? 0.7819 0.5729 0.3960 -0.0463 -0.0510 -0.0444 381 HIS B CD2 7150 C CE1 . HIS B 381 ? 0.7669 0.5840 0.3971 -0.0538 -0.0503 -0.0506 381 HIS B CE1 7151 N NE2 . HIS B 381 ? 0.7598 0.5689 0.3932 -0.0561 -0.0429 -0.0480 381 HIS B NE2 7152 N N . TYR B 382 ? 0.8303 0.5175 0.3379 -0.0343 -0.0629 -0.0311 382 TYR B N 7153 C CA . TYR B 382 ? 0.8303 0.4977 0.3298 -0.0484 -0.0487 -0.0286 382 TYR B CA 7154 C C . TYR B 382 ? 0.9457 0.5677 0.3981 -0.0558 -0.0450 -0.0236 382 TYR B C 7155 O O . TYR B 382 ? 0.9589 0.5690 0.4056 -0.0722 -0.0305 -0.0229 382 TYR B O 7156 C CB . TYR B 382 ? 0.8135 0.4846 0.3281 -0.0431 -0.0496 -0.0284 382 TYR B CB 7157 C CG . TYR B 382 ? 0.7753 0.4883 0.3364 -0.0452 -0.0446 -0.0331 382 TYR B CG 7158 C CD1 . TYR B 382 ? 0.7626 0.5070 0.3495 -0.0329 -0.0544 -0.0362 382 TYR B CD1 7159 C CD2 . TYR B 382 ? 0.7547 0.4765 0.3331 -0.0596 -0.0301 -0.0349 382 TYR B CD2 7160 C CE1 . TYR B 382 ? 0.7162 0.4950 0.3416 -0.0356 -0.0496 -0.0398 382 TYR B CE1 7161 C CE2 . TYR B 382 ? 0.7153 0.4721 0.3327 -0.0603 -0.0264 -0.0389 382 TYR B CE2 7162 C CZ . TYR B 382 ? 0.7645 0.5475 0.4037 -0.0485 -0.0360 -0.0407 382 TYR B CZ 7163 O OH . TYR B 382 ? 0.7088 0.5223 0.3824 -0.0498 -0.0322 -0.0439 382 TYR B OH 7164 N N . THR B 383 ? 0.9410 0.5384 0.3592 -0.0445 -0.0576 -0.0205 383 THR B N 7165 C CA . THR B 383 ? 0.9855 0.5364 0.3540 -0.0518 -0.0543 -0.0151 383 THR B CA 7166 C C . THR B 383 ? 1.0446 0.6021 0.4123 -0.0683 -0.0417 -0.0171 383 THR B C 7167 O O . THR B 383 ? 1.0075 0.5955 0.3979 -0.0659 -0.0443 -0.0216 383 THR B O 7168 C CB . THR B 383 ? 1.0836 0.6086 0.4157 -0.0330 -0.0728 -0.0119 383 THR B CB 7169 O OG1 . THR B 383 ? 1.0877 0.6033 0.4177 -0.0177 -0.0833 -0.0106 383 THR B OG1 7170 C CG2 . THR B 383 ? 1.0444 0.5183 0.3196 -0.0403 -0.0702 -0.0057 383 THR B CG2 7171 N N . ASP B 384 ? 1.0437 0.5731 0.3855 -0.0857 -0.0275 -0.0143 384 ASP B N 7172 C CA . ASP B 384 ? 1.0547 0.5829 0.3862 -0.1014 -0.0149 -0.0159 384 ASP B CA 7173 C C . ASP B 384 ? 1.1422 0.6300 0.4213 -0.0952 -0.0244 -0.0104 384 ASP B C 7174 O O . ASP B 384 ? 1.1654 0.6087 0.4023 -0.0982 -0.0238 -0.0042 384 ASP B O 7175 C CB . ASP B 384 ? 1.0851 0.6035 0.4126 -0.1232 0.0051 -0.0163 384 ASP B CB 7176 C CG . ASP B 384 ? 1.2771 0.7969 0.5947 -0.1398 0.0197 -0.0192 384 ASP B CG 7177 O OD1 . ASP B 384 ? 1.3013 0.8199 0.6054 -0.1347 0.0139 -0.0194 384 ASP B OD1 7178 O OD2 . ASP B 384 ? 1.4010 0.9244 0.7241 -0.1577 0.0367 -0.0219 384 ASP B OD2 7179 N N . TRP B 385 ? 1.0910 0.5926 0.3712 -0.0860 -0.0341 -0.0128 385 TRP B N 7180 C CA . TRP B 385 ? 1.1395 0.6072 0.3724 -0.0768 -0.0461 -0.0085 385 TRP B CA 7181 C C . TRP B 385 ? 1.2777 0.7091 0.4661 -0.0942 -0.0329 -0.0049 385 TRP B C 7182 O O . TRP B 385 ? 1.3275 0.7200 0.4671 -0.0881 -0.0415 0.0004 385 TRP B O 7183 C CB . TRP B 385 ? 1.0900 0.5875 0.3406 -0.0618 -0.0614 -0.0134 385 TRP B CB 7184 C CG . TRP B 385 ? 1.0588 0.5800 0.3386 -0.0433 -0.0762 -0.0154 385 TRP B CG 7185 C CD1 . TRP B 385 ? 1.0339 0.6009 0.3662 -0.0419 -0.0751 -0.0211 385 TRP B CD1 7186 C CD2 . TRP B 385 ? 1.0822 0.5790 0.3383 -0.0251 -0.0917 -0.0113 385 TRP B CD2 7187 N NE1 . TRP B 385 ? 1.0064 0.5823 0.3504 -0.0243 -0.0890 -0.0213 385 TRP B NE1 7188 C CE2 . TRP B 385 ? 1.0777 0.6123 0.3765 -0.0126 -0.1000 -0.0159 385 TRP B CE2 7189 C CE3 . TRP B 385 ? 1.1602 0.6055 0.3607 -0.0170 -0.1002 -0.0046 385 TRP B CE3 7190 C CZ2 . TRP B 385 ? 1.0908 0.6160 0.3810 0.0076 -0.1155 -0.0147 385 TRP B CZ2 7191 C CZ3 . TRP B 385 ? 1.1974 0.6302 0.3877 0.0041 -0.1166 -0.0030 385 TRP B CZ3 7192 C CH2 . TRP B 385 ? 1.1639 0.6380 0.3999 0.0165 -0.1240 -0.0084 385 TRP B CH2 7193 N N . LEU B 386 ? 1.2611 0.7025 0.4632 -0.1153 -0.0121 -0.0076 386 LEU B N 7194 C CA . LEU B 386 ? 1.3202 0.7294 0.4820 -0.1346 0.0034 -0.0048 386 LEU B CA 7195 C C . LEU B 386 ? 1.4119 0.7782 0.5404 -0.1430 0.0088 0.0021 386 LEU B C 7196 O O . LEU B 386 ? 1.4770 0.7994 0.5542 -0.1535 0.0148 0.0076 386 LEU B O 7197 C CB . LEU B 386 ? 1.2977 0.7403 0.4911 -0.1531 0.0235 -0.0123 386 LEU B CB 7198 C CG . LEU B 386 ? 1.3899 0.8375 0.5712 -0.1598 0.0298 -0.0161 386 LEU B CG 7199 C CD1 . LEU B 386 ? 1.3835 0.8582 0.5906 -0.1788 0.0516 -0.0236 386 LEU B CD1 7200 C CD2 . LEU B 386 ? 1.4807 0.8769 0.5966 -0.1636 0.0288 -0.0090 386 LEU B CD2 7201 N N . HIS B 387 ? 1.3405 0.7187 0.4970 -0.1397 0.0075 0.0015 387 HIS B N 7202 C CA . HIS B 387 ? 1.3671 0.7064 0.4962 -0.1475 0.0118 0.0070 387 HIS B CA 7203 C C . HIS B 387 ? 1.3792 0.7184 0.5201 -0.1251 -0.0066 0.0088 387 HIS B C 7204 O O . HIS B 387 ? 1.3434 0.7024 0.5172 -0.1272 -0.0028 0.0059 387 HIS B O 7205 C CB . HIS B 387 ? 1.3511 0.7111 0.5075 -0.1709 0.0335 0.0020 387 HIS B CB 7206 C CG . HIS B 387 ? 1.3911 0.7664 0.5491 -0.1899 0.0513 -0.0028 387 HIS B CG 7207 N ND1 . HIS B 387 ? 1.3552 0.7838 0.5635 -0.1905 0.0570 -0.0117 387 HIS B ND1 7208 C CD2 . HIS B 387 ? 1.4612 0.8040 0.5745 -0.2072 0.0634 0.0001 387 HIS B CD2 7209 C CE1 . HIS B 387 ? 1.3623 0.7907 0.5567 -0.2073 0.0724 -0.0146 387 HIS B CE1 7210 N NE2 . HIS B 387 ? 1.4301 0.8091 0.5684 -0.2184 0.0773 -0.0079 387 HIS B NE2 7211 N N . PRO B 388 ? 1.3419 0.6639 0.4597 -0.1023 -0.0272 0.0123 388 PRO B N 7212 C CA . PRO B 388 ? 1.3148 0.6462 0.4507 -0.0795 -0.0446 0.0118 388 PRO B CA 7213 C C . PRO B 388 ? 1.3738 0.6655 0.4847 -0.0782 -0.0463 0.0166 388 PRO B C 7214 O O . PRO B 388 ? 1.3316 0.6389 0.4668 -0.0627 -0.0565 0.0146 388 PRO B O 7215 C CB . PRO B 388 ? 1.3568 0.6808 0.4713 -0.0567 -0.0652 0.0131 388 PRO B CB 7216 C CG . PRO B 388 ? 1.4588 0.7415 0.5201 -0.0675 -0.0599 0.0182 388 PRO B CG 7217 C CD . PRO B 388 ? 1.3868 0.6856 0.4646 -0.0952 -0.0360 0.0154 388 PRO B CD 7218 N N . GLU B 389 ? 1.3968 0.6364 0.4579 -0.0945 -0.0364 0.0227 389 GLU B N 7219 C CA . GLU B 389 ? 1.4296 0.6222 0.4583 -0.0959 -0.0373 0.0278 389 GLU B CA 7220 C C . GLU B 389 ? 1.4470 0.6400 0.4861 -0.1248 -0.0150 0.0261 389 GLU B C 7221 O O . GLU B 389 ? 1.4878 0.6423 0.5012 -0.1301 -0.0135 0.0294 389 GLU B O 7222 C CB . GLU B 389 ? 1.5338 0.6560 0.4873 -0.0905 -0.0459 0.0369 389 GLU B CB 7223 C CG . GLU B 389 ? 1.7159 0.8372 0.6556 -0.0614 -0.0687 0.0378 389 GLU B CG 7224 C CD . GLU B 389 ? 2.1210 1.1960 1.0201 -0.0364 -0.0892 0.0426 389 GLU B CD 7225 O OE1 . GLU B 389 ? 1.9599 1.0503 0.8860 -0.0230 -0.0968 0.0393 389 GLU B OE1 7226 O OE2 . GLU B 389 ? 2.1865 1.2095 1.0254 -0.0288 -0.0983 0.0492 389 GLU B OE2 7227 N N . ASP B 390 ? 1.3552 0.5917 0.4316 -0.1431 0.0017 0.0200 390 ASP B N 7228 C CA . ASP B 390 ? 1.3489 0.5941 0.4401 -0.1702 0.0228 0.0164 390 ASP B CA 7229 C C . ASP B 390 ? 1.3743 0.6403 0.5027 -0.1654 0.0204 0.0126 390 ASP B C 7230 O O . ASP B 390 ? 1.3027 0.6177 0.4817 -0.1517 0.0140 0.0072 390 ASP B O 7231 C CB . ASP B 390 ? 1.3336 0.6245 0.4586 -0.1861 0.0389 0.0095 390 ASP B CB 7232 C CG . ASP B 390 ? 1.4580 0.7615 0.5992 -0.2131 0.0601 0.0044 390 ASP B CG 7233 O OD1 . ASP B 390 ? 1.5509 0.8162 0.6504 -0.2345 0.0730 0.0075 390 ASP B OD1 7234 O OD2 . ASP B 390 ? 1.4151 0.7639 0.6083 -0.2124 0.0630 -0.0027 390 ASP B OD2 7235 N N . PRO B 391 ? 1.3750 0.6018 0.4761 -0.1775 0.0257 0.0153 391 PRO B N 7236 C CA . PRO B 391 ? 1.3408 0.5826 0.4722 -0.1724 0.0225 0.0116 391 PRO B CA 7237 C C . PRO B 391 ? 1.3162 0.6205 0.5111 -0.1818 0.0337 0.0022 391 PRO B C 7238 O O . PRO B 391 ? 1.2701 0.6012 0.5002 -0.1676 0.0254 -0.0011 391 PRO B O 7239 C CB . PRO B 391 ? 1.4259 0.6083 0.5084 -0.1892 0.0290 0.0161 391 PRO B CB 7240 C CG . PRO B 391 ? 1.5416 0.6692 0.5612 -0.1925 0.0279 0.0244 391 PRO B CG 7241 C CD . PRO B 391 ? 1.4614 0.6244 0.4987 -0.1961 0.0341 0.0220 391 PRO B CD 7242 N N . THR B 392 ? 1.2611 0.5883 0.4695 -0.2044 0.0520 -0.0024 392 THR B N 7243 C CA . THR B 392 ? 1.1970 0.5839 0.4640 -0.2121 0.0624 -0.0120 392 THR B CA 7244 C C . THR B 392 ? 1.1927 0.6253 0.5011 -0.1905 0.0516 -0.0147 392 THR B C 7245 O O . THR B 392 ? 1.1351 0.6067 0.4884 -0.1830 0.0491 -0.0199 392 THR B O 7246 C CB . THR B 392 ? 1.2788 0.6773 0.5458 -0.2402 0.0842 -0.0170 392 THR B CB 7247 O OG1 . THR B 392 ? 1.3929 0.7468 0.6187 -0.2622 0.0945 -0.0144 392 THR B OG1 7248 C CG2 . THR B 392 ? 1.1625 0.6225 0.4889 -0.2465 0.0941 -0.0280 392 THR B CG2 7249 N N . HIS B 393 ? 1.1803 0.6069 0.4718 -0.1814 0.0453 -0.0114 393 HIS B N 7250 C CA . HIS B 393 ? 1.1347 0.6014 0.4611 -0.1630 0.0352 -0.0140 393 HIS B CA 7251 C C . HIS B 393 ? 1.1099 0.5823 0.4511 -0.1395 0.0174 -0.0126 393 HIS B C 7252 O O . HIS B 393 ? 1.0331 0.5489 0.4198 -0.1306 0.0142 -0.0174 393 HIS B O 7253 C CB . HIS B 393 ? 1.1805 0.6323 0.4783 -0.1584 0.0306 -0.0105 393 HIS B CB 7254 C CG . HIS B 393 ? 1.2349 0.7042 0.5380 -0.1752 0.0461 -0.0149 393 HIS B CG 7255 N ND1 . HIS B 393 ? 1.3144 0.7500 0.5758 -0.1944 0.0587 -0.0123 393 HIS B ND1 7256 C CD2 . HIS B 393 ? 1.2219 0.7355 0.5629 -0.1738 0.0496 -0.0215 393 HIS B CD2 7257 C CE1 . HIS B 393 ? 1.2881 0.7518 0.5657 -0.2035 0.0697 -0.0181 393 HIS B CE1 7258 N NE2 . HIS B 393 ? 1.2389 0.7486 0.5638 -0.1912 0.0644 -0.0238 393 HIS B NE2 7259 N N . LEU B 394 ? 1.0964 0.5239 0.3978 -0.1297 0.0063 -0.0063 394 LEU B N 7260 C CA . LEU B 394 ? 1.0898 0.5186 0.3995 -0.1062 -0.0110 -0.0054 394 LEU B CA 7261 C C . LEU B 394 ? 1.1238 0.5767 0.4697 -0.1078 -0.0075 -0.0100 394 LEU B C 7262 O O . LEU B 394 ? 1.0840 0.5705 0.4650 -0.0916 -0.0166 -0.0131 394 LEU B O 7263 C CB . LEU B 394 ? 1.1517 0.5221 0.4053 -0.0957 -0.0228 0.0019 394 LEU B CB 7264 C CG . LEU B 394 ? 1.2508 0.5997 0.4694 -0.0874 -0.0313 0.0062 394 LEU B CG 7265 C CD1 . LEU B 394 ? 1.3359 0.6180 0.4907 -0.0822 -0.0393 0.0139 394 LEU B CD1 7266 C CD2 . LEU B 394 ? 1.2364 0.6238 0.4843 -0.0642 -0.0468 0.0031 394 LEU B CD2 7267 N N . ARG B 395 ? 1.0906 0.5284 0.4286 -0.1286 0.0064 -0.0110 395 ARG B N 7268 C CA . ARG B 395 ? 1.0567 0.5163 0.4267 -0.1336 0.0114 -0.0162 395 ARG B CA 7269 C C . ARG B 395 ? 1.0373 0.5581 0.4641 -0.1322 0.0156 -0.0230 395 ARG B C 7270 O O . ARG B 395 ? 1.0135 0.5609 0.4717 -0.1191 0.0085 -0.0257 395 ARG B O 7271 C CB . ARG B 395 ? 1.0784 0.5128 0.4280 -0.1600 0.0272 -0.0171 395 ARG B CB 7272 C CG . ARG B 395 ? 1.1532 0.6102 0.5349 -0.1668 0.0326 -0.0235 395 ARG B CG 7273 C CD . ARG B 395 ? 1.1765 0.6701 0.5881 -0.1878 0.0498 -0.0307 395 ARG B CD 7274 N NE . ARG B 395 ? 1.2233 0.6874 0.6056 -0.2139 0.0640 -0.0314 395 ARG B NE 7275 C CZ . ARG B 395 ? 1.2794 0.7582 0.6657 -0.2354 0.0804 -0.0359 395 ARG B CZ 7276 N NH1 . ARG B 395 ? 1.0070 0.5281 0.4247 -0.2322 0.0840 -0.0400 395 ARG B NH1 7277 N NH2 . ARG B 395 ? 1.2731 0.7248 0.6319 -0.2605 0.0936 -0.0369 395 ARG B NH2 7278 N N . ASP B 396 ? 0.9804 0.5207 0.4171 -0.1447 0.0266 -0.0257 396 ASP B N 7279 C CA . ASP B 396 ? 0.9275 0.5195 0.4115 -0.1441 0.0312 -0.0320 396 ASP B CA 7280 C C . ASP B 396 ? 0.9358 0.5512 0.4397 -0.1229 0.0174 -0.0313 396 ASP B C 7281 O O . ASP B 396 ? 0.8840 0.5373 0.4275 -0.1169 0.0165 -0.0356 396 ASP B O 7282 C CB . ASP B 396 ? 0.9580 0.5589 0.4406 -0.1620 0.0460 -0.0353 396 ASP B CB 7283 C CG . ASP B 396 ? 1.1401 0.7307 0.6131 -0.1853 0.0618 -0.0387 396 ASP B CG 7284 O OD1 . ASP B 396 ? 1.1577 0.7434 0.6355 -0.1883 0.0620 -0.0399 396 ASP B OD1 7285 O OD2 . ASP B 396 ? 1.2229 0.8116 0.6840 -0.2010 0.0743 -0.0407 396 ASP B OD2 7286 N N . ALA B 397 ? 0.9069 0.4994 0.3823 -0.1118 0.0066 -0.0261 397 ALA B N 7287 C CA . ALA B 397 ? 0.8797 0.4940 0.3717 -0.0926 -0.0070 -0.0262 397 ALA B CA 7288 C C . ALA B 397 ? 0.9108 0.5348 0.4199 -0.0771 -0.0174 -0.0267 397 ALA B C 7289 O O . ALA B 397 ? 0.8785 0.5385 0.4216 -0.0676 -0.0222 -0.0298 397 ALA B O 7290 C CB . ALA B 397 ? 0.9206 0.5064 0.3749 -0.0842 -0.0170 -0.0214 397 ALA B CB 7291 N N . MET B 398 ? 0.8900 0.4808 0.3741 -0.0756 -0.0202 -0.0239 398 MET B N 7292 C CA . MET B 398 ? 0.8752 0.4718 0.3719 -0.0610 -0.0294 -0.0249 398 MET B CA 7293 C C . MET B 398 ? 0.8876 0.5235 0.4286 -0.0662 -0.0219 -0.0302 398 MET B C 7294 O O . MET B 398 ? 0.8504 0.5144 0.4187 -0.0528 -0.0291 -0.0325 398 MET B O 7295 C CB . MET B 398 ? 0.9506 0.4988 0.4083 -0.0611 -0.0321 -0.0214 398 MET B CB 7296 C CG . MET B 398 ? 0.9892 0.5380 0.4529 -0.0421 -0.0441 -0.0224 398 MET B CG 7297 S SD . MET B 398 ? 1.0369 0.5973 0.5002 -0.0139 -0.0636 -0.0221 398 MET B SD 7298 C CE . MET B 398 ? 0.9288 0.5515 0.4510 -0.0073 -0.0635 -0.0283 398 MET B CE 7299 N N . SER B 399 ? 0.8461 0.4851 0.3936 -0.0856 -0.0075 -0.0327 399 SER B N 7300 C CA . SER B 399 ? 0.8144 0.4889 0.4011 -0.0911 -0.0001 -0.0383 399 SER B CA 7301 C C . SER B 399 ? 0.8277 0.5422 0.4476 -0.0848 -0.0014 -0.0407 399 SER B C 7302 O O . SER B 399 ? 0.7875 0.5299 0.4371 -0.0769 -0.0043 -0.0433 399 SER B O 7303 C CB . SER B 399 ? 0.8686 0.5390 0.4529 -0.1129 0.0152 -0.0415 399 SER B CB 7304 O OG . SER B 399 ? 0.9321 0.6389 0.5546 -0.1160 0.0208 -0.0475 399 SER B OG 7305 N N . ALA B 400 ? 0.7728 0.4876 0.3848 -0.0882 0.0005 -0.0398 400 ALA B N 7306 C CA . ALA B 400 ? 0.7156 0.4627 0.3536 -0.0837 -0.0007 -0.0421 400 ALA B CA 7307 C C . ALA B 400 ? 0.7530 0.5133 0.4012 -0.0660 -0.0142 -0.0409 400 ALA B C 7308 O O . ALA B 400 ? 0.7309 0.5222 0.4096 -0.0620 -0.0148 -0.0437 400 ALA B O 7309 C CB . ALA B 400 ? 0.7258 0.4649 0.3475 -0.0912 0.0036 -0.0416 400 ALA B CB 7310 N N . VAL B 401 ? 0.7282 0.4659 0.3510 -0.0551 -0.0251 -0.0374 401 VAL B N 7311 C CA . VAL B 401 ? 0.7135 0.4670 0.3469 -0.0374 -0.0383 -0.0377 401 VAL B CA 7312 C C . VAL B 401 ? 0.7401 0.5177 0.4031 -0.0324 -0.0381 -0.0404 401 VAL B C 7313 O O . VAL B 401 ? 0.6904 0.4998 0.3804 -0.0270 -0.0407 -0.0428 401 VAL B O 7314 C CB . VAL B 401 ? 0.7838 0.5062 0.3829 -0.0245 -0.0505 -0.0344 401 VAL B CB 7315 C CG1 . VAL B 401 ? 0.7618 0.5038 0.3752 -0.0053 -0.0632 -0.0365 401 VAL B CG1 7316 C CG2 . VAL B 401 ? 0.7997 0.5041 0.3718 -0.0255 -0.0537 -0.0320 401 VAL B CG2 7317 N N . VAL B 402 ? 0.7374 0.4985 0.3932 -0.0351 -0.0350 -0.0402 402 VAL B N 7318 C CA . VAL B 402 ? 0.7012 0.4798 0.3797 -0.0303 -0.0351 -0.0428 402 VAL B CA 7319 C C . VAL B 402 ? 0.7124 0.5236 0.4243 -0.0383 -0.0264 -0.0460 402 VAL B C 7320 O O . VAL B 402 ? 0.6640 0.5019 0.3998 -0.0307 -0.0294 -0.0477 402 VAL B O 7321 C CB . VAL B 402 ? 0.7667 0.5152 0.4252 -0.0332 -0.0335 -0.0422 402 VAL B CB 7322 C CG1 . VAL B 402 ? 0.7304 0.4968 0.4116 -0.0289 -0.0334 -0.0455 402 VAL B CG1 7323 C CG2 . VAL B 402 ? 0.8006 0.5140 0.4234 -0.0221 -0.0440 -0.0389 402 VAL B CG2 7324 N N . GLY B 403 ? 0.6918 0.5004 0.4038 -0.0530 -0.0158 -0.0470 403 GLY B N 7325 C CA . GLY B 403 ? 0.6560 0.4924 0.3966 -0.0594 -0.0080 -0.0507 403 GLY B CA 7326 C C . GLY B 403 ? 0.6743 0.5338 0.4315 -0.0554 -0.0103 -0.0510 403 GLY B C 7327 O O . GLY B 403 ? 0.6459 0.5292 0.4275 -0.0533 -0.0091 -0.0530 403 GLY B O 7328 N N . ASP B 404 ? 0.6249 0.4757 0.3670 -0.0549 -0.0138 -0.0491 404 ASP B N 7329 C CA . ASP B 404 ? 0.5923 0.4626 0.3473 -0.0524 -0.0165 -0.0499 404 ASP B CA 7330 C C . ASP B 404 ? 0.6021 0.4904 0.3704 -0.0407 -0.0255 -0.0499 404 ASP B C 7331 O O . ASP B 404 ? 0.5508 0.4615 0.3401 -0.0409 -0.0243 -0.0515 404 ASP B O 7332 C CB . ASP B 404 ? 0.6284 0.4843 0.3621 -0.0548 -0.0187 -0.0486 404 ASP B CB 7333 C CG . ASP B 404 ? 0.7255 0.5676 0.4473 -0.0676 -0.0083 -0.0495 404 ASP B CG 7334 O OD1 . ASP B 404 ? 0.6970 0.5471 0.4324 -0.0747 0.0007 -0.0522 404 ASP B OD1 7335 O OD2 . ASP B 404 ? 0.6977 0.5217 0.3958 -0.0703 -0.0093 -0.0479 404 ASP B OD2 7336 N N . HIS B 405 ? 0.5890 0.4669 0.3436 -0.0305 -0.0344 -0.0484 405 HIS B N 7337 C CA . HIS B 405 ? 0.5696 0.4671 0.3362 -0.0183 -0.0432 -0.0495 405 HIS B CA 7338 C C . HIS B 405 ? 0.6251 0.5417 0.4148 -0.0166 -0.0400 -0.0511 405 HIS B C 7339 O O . HIS B 405 ? 0.6035 0.5455 0.4121 -0.0136 -0.0417 -0.0527 405 HIS B O 7340 C CB . HIS B 405 ? 0.5954 0.4738 0.3393 -0.0062 -0.0532 -0.0484 405 HIS B CB 7341 C CG . HIS B 405 ? 0.6260 0.5237 0.3808 0.0085 -0.0624 -0.0508 405 HIS B CG 7342 N ND1 . HIS B 405 ? 0.6278 0.5561 0.4005 0.0122 -0.0667 -0.0537 405 HIS B ND1 7343 C CD2 . HIS B 405 ? 0.6547 0.5444 0.4027 0.0202 -0.0678 -0.0514 405 HIS B CD2 7344 C CE1 . HIS B 405 ? 0.6180 0.5592 0.3963 0.0258 -0.0741 -0.0563 405 HIS B CE1 7345 N NE2 . HIS B 405 ? 0.6420 0.5602 0.4056 0.0320 -0.0753 -0.0550 405 HIS B NE2 7346 N N . ASN B 406 ? 0.5823 0.4863 0.3689 -0.0193 -0.0352 -0.0508 406 ASN B N 7347 C CA . ASN B 406 ? 0.5577 0.4769 0.3624 -0.0165 -0.0333 -0.0524 406 ASN B CA 7348 C C . ASN B 406 ? 0.5866 0.5202 0.4100 -0.0252 -0.0248 -0.0536 406 ASN B C 7349 O O . ASN B 406 ? 0.5711 0.5230 0.4114 -0.0217 -0.0245 -0.0546 406 ASN B O 7350 C CB . ASN B 406 ? 0.5366 0.4353 0.3280 -0.0138 -0.0341 -0.0524 406 ASN B CB 7351 C CG . ASN B 406 ? 0.6366 0.5223 0.4106 -0.0008 -0.0442 -0.0518 406 ASN B CG 7352 O OD1 . ASN B 406 ? 0.6090 0.5130 0.3932 0.0105 -0.0504 -0.0534 406 ASN B OD1 7353 N ND2 . ASN B 406 ? 0.6243 0.4781 0.3705 -0.0018 -0.0462 -0.0497 406 ASN B ND2 7354 N N . VAL B 407 ? 0.5384 0.4634 0.3577 -0.0355 -0.0180 -0.0539 407 VAL B N 7355 C CA . VAL B 407 ? 0.5154 0.4528 0.3511 -0.0417 -0.0106 -0.0560 407 VAL B CA 7356 C C . VAL B 407 ? 0.5604 0.5022 0.3990 -0.0481 -0.0067 -0.0567 407 VAL B C 7357 O O . VAL B 407 ? 0.5445 0.5012 0.3971 -0.0474 -0.0060 -0.0572 407 VAL B O 7358 C CB . VAL B 407 ? 0.5526 0.4809 0.3863 -0.0476 -0.0046 -0.0584 407 VAL B CB 7359 C CG1 . VAL B 407 ? 0.5305 0.4743 0.3819 -0.0515 0.0016 -0.0617 407 VAL B CG1 7360 C CG2 . VAL B 407 ? 0.5458 0.4689 0.3768 -0.0418 -0.0084 -0.0585 407 VAL B CG2 7361 N N . VAL B 408 ? 0.5190 0.4459 0.3427 -0.0547 -0.0037 -0.0568 408 VAL B N 7362 C CA . VAL B 408 ? 0.5103 0.4399 0.3355 -0.0608 0.0008 -0.0585 408 VAL B CA 7363 C C . VAL B 408 ? 0.5559 0.4957 0.3861 -0.0579 -0.0041 -0.0575 408 VAL B C 7364 O O . VAL B 408 ? 0.5603 0.5098 0.4019 -0.0599 -0.0012 -0.0591 408 VAL B O 7365 C CB . VAL B 408 ? 0.5738 0.4858 0.3800 -0.0687 0.0054 -0.0591 408 VAL B CB 7366 C CG1 . VAL B 408 ? 0.5617 0.4788 0.3715 -0.0740 0.0108 -0.0621 408 VAL B CG1 7367 C CG2 . VAL B 408 ? 0.5730 0.4761 0.3744 -0.0744 0.0116 -0.0608 408 VAL B CG2 7368 N N . CYS B 409 ? 0.5145 0.4526 0.3365 -0.0531 -0.0118 -0.0555 409 CYS B N 7369 C CA . CYS B 409 ? 0.5231 0.4735 0.3505 -0.0524 -0.0162 -0.0558 409 CYS B CA 7370 C C . CYS B 409 ? 0.5405 0.5108 0.3867 -0.0489 -0.0177 -0.0559 409 CYS B C 7371 O O . CYS B 409 ? 0.5255 0.5034 0.3796 -0.0535 -0.0153 -0.0569 409 CYS B O 7372 C CB . CYS B 409 ? 0.5558 0.5001 0.3682 -0.0487 -0.0242 -0.0550 409 CYS B CB 7373 S SG . CYS B 409 ? 0.6366 0.5556 0.4239 -0.0550 -0.0211 -0.0545 409 CYS B SG 7374 N N . PRO B 410 ? 0.4976 0.4739 0.3500 -0.0424 -0.0196 -0.0551 410 PRO B N 7375 C CA . PRO B 410 ? 0.4851 0.4791 0.3540 -0.0409 -0.0187 -0.0552 410 PRO B CA 7376 C C . PRO B 410 ? 0.5214 0.5145 0.3976 -0.0463 -0.0115 -0.0557 410 PRO B C 7377 O O . PRO B 410 ? 0.5173 0.5198 0.4015 -0.0485 -0.0105 -0.0555 410 PRO B O 7378 C CB . PRO B 410 ? 0.4987 0.4940 0.3690 -0.0328 -0.0211 -0.0548 410 PRO B CB 7379 C CG . PRO B 410 ? 0.5510 0.5343 0.4058 -0.0280 -0.0271 -0.0545 410 PRO B CG 7380 C CD . PRO B 410 ? 0.5112 0.4774 0.3538 -0.0358 -0.0232 -0.0542 410 PRO B CD 7381 N N . VAL B 411 ? 0.4887 0.4704 0.3611 -0.0485 -0.0068 -0.0568 411 VAL B N 7382 C CA . VAL B 411 ? 0.4868 0.4683 0.3655 -0.0513 -0.0009 -0.0587 411 VAL B CA 7383 C C . VAL B 411 ? 0.5446 0.5229 0.4201 -0.0566 0.0005 -0.0595 411 VAL B C 7384 O O . VAL B 411 ? 0.5171 0.4979 0.3979 -0.0572 0.0021 -0.0598 411 VAL B O 7385 C CB . VAL B 411 ? 0.5159 0.4908 0.3933 -0.0526 0.0039 -0.0615 411 VAL B CB 7386 C CG1 . VAL B 411 ? 0.5076 0.4836 0.3903 -0.0543 0.0091 -0.0649 411 VAL B CG1 7387 C CG2 . VAL B 411 ? 0.4938 0.4723 0.3762 -0.0482 0.0030 -0.0615 411 VAL B CG2 7388 N N . ALA B 412 ? 0.5121 0.4827 0.3766 -0.0602 -0.0006 -0.0600 412 ALA B N 7389 C CA . ALA B 412 ? 0.5110 0.4774 0.3708 -0.0655 0.0003 -0.0615 412 ALA B CA 7390 C C . ALA B 412 ? 0.5527 0.5285 0.4180 -0.0668 -0.0034 -0.0603 412 ALA B C 7391 O O . ALA B 412 ? 0.5415 0.5146 0.4075 -0.0706 -0.0014 -0.0612 412 ALA B O 7392 C CB . ALA B 412 ? 0.5268 0.4838 0.3722 -0.0685 -0.0012 -0.0621 412 ALA B CB 7393 N N . GLN B 413 ? 0.5207 0.5075 0.3894 -0.0636 -0.0087 -0.0586 413 GLN B N 7394 C CA . GLN B 413 ? 0.4972 0.4981 0.3728 -0.0660 -0.0116 -0.0583 413 GLN B CA 7395 C C . GLN B 413 ? 0.5154 0.5188 0.3988 -0.0670 -0.0075 -0.0570 413 GLN B C 7396 O O . GLN B 413 ? 0.5182 0.5211 0.4013 -0.0736 -0.0060 -0.0573 413 GLN B O 7397 C CB . GLN B 413 ? 0.5002 0.5152 0.3791 -0.0599 -0.0179 -0.0580 413 GLN B CB 7398 C CG . GLN B 413 ? 0.5582 0.5933 0.4470 -0.0628 -0.0199 -0.0589 413 GLN B CG 7399 C CD . GLN B 413 ? 1.0493 1.0989 0.9383 -0.0614 -0.0271 -0.0616 413 GLN B CD 7400 O OE1 . GLN B 413 ? 1.0865 1.1378 0.9720 -0.0523 -0.0326 -0.0619 413 GLN B OE1 7401 N NE2 . GLN B 413 ? 1.1042 1.1676 0.9988 -0.0696 -0.0276 -0.0640 413 GLN B NE2 7402 N N . LEU B 414 ? 0.4755 0.4794 0.3635 -0.0609 -0.0057 -0.0558 414 LEU B N 7403 C CA . LEU B 414 ? 0.4597 0.4645 0.3526 -0.0600 -0.0026 -0.0544 414 LEU B CA 7404 C C . LEU B 414 ? 0.5025 0.4927 0.3901 -0.0630 0.0012 -0.0554 414 LEU B C 7405 O O . LEU B 414 ? 0.5095 0.4962 0.3950 -0.0669 0.0026 -0.0542 414 LEU B O 7406 C CB . LEU B 414 ? 0.4573 0.4651 0.3551 -0.0521 -0.0023 -0.0539 414 LEU B CB 7407 C CG . LEU B 414 ? 0.5080 0.5165 0.4094 -0.0495 0.0000 -0.0526 414 LEU B CG 7408 C CD1 . LEU B 414 ? 0.4903 0.5106 0.3948 -0.0516 -0.0006 -0.0503 414 LEU B CD1 7409 C CD2 . LEU B 414 ? 0.5175 0.5278 0.4230 -0.0422 -0.0001 -0.0534 414 LEU B CD2 7410 N N . ALA B 415 ? 0.4631 0.4441 0.3472 -0.0612 0.0031 -0.0579 415 ALA B N 7411 C CA . ALA B 415 ? 0.4691 0.4374 0.3482 -0.0618 0.0063 -0.0604 415 ALA B CA 7412 C C . ALA B 415 ? 0.5581 0.5184 0.4295 -0.0693 0.0059 -0.0604 415 ALA B C 7413 O O . ALA B 415 ? 0.5728 0.5226 0.4396 -0.0700 0.0073 -0.0602 415 ALA B O 7414 C CB . ALA B 415 ? 0.4774 0.4416 0.3544 -0.0605 0.0088 -0.0642 415 ALA B CB 7415 N N . GLY B 416 ? 0.5159 0.4802 0.3848 -0.0747 0.0034 -0.0608 416 GLY B N 7416 C CA . GLY B 416 ? 0.5134 0.4723 0.3755 -0.0833 0.0024 -0.0617 416 GLY B CA 7417 C C . GLY B 416 ? 0.5811 0.5435 0.4448 -0.0889 0.0024 -0.0593 416 GLY B C 7418 O O . GLY B 416 ? 0.5874 0.5358 0.4427 -0.0948 0.0041 -0.0597 416 GLY B O 7419 N N . ARG B 417 ? 0.5266 0.5066 0.3997 -0.0874 0.0008 -0.0570 417 ARG B N 7420 C CA . ARG B 417 ? 0.5348 0.5217 0.4098 -0.0938 0.0018 -0.0550 417 ARG B CA 7421 C C . ARG B 417 ? 0.6110 0.5823 0.4800 -0.0920 0.0056 -0.0523 417 ARG B C 7422 O O . ARG B 417 ? 0.6249 0.5858 0.4854 -0.1005 0.0077 -0.0512 417 ARG B O 7423 C CB . ARG B 417 ? 0.5072 0.5187 0.3940 -0.0908 -0.0005 -0.0542 417 ARG B CB 7424 C CG . ARG B 417 ? 0.6607 0.6891 0.5524 -0.0910 -0.0058 -0.0572 417 ARG B CG 7425 C CD . ARG B 417 ? 0.8176 0.8484 0.7060 -0.1022 -0.0074 -0.0603 417 ARG B CD 7426 N NE . ARG B 417 ? 1.0253 1.0597 0.9138 -0.1139 -0.0040 -0.0601 417 ARG B NE 7427 C CZ . ARG B 417 ? 1.2525 1.3005 1.1434 -0.1252 -0.0055 -0.0637 417 ARG B CZ 7428 N NH1 . ARG B 417 ? 1.1226 1.1831 1.0165 -0.1244 -0.0115 -0.0679 417 ARG B NH1 7429 N NH2 . ARG B 417 ? 1.0639 1.1134 0.9534 -0.1378 -0.0010 -0.0633 417 ARG B NH2 7430 N N . LEU B 418 ? 0.5510 0.5193 0.4225 -0.0811 0.0061 -0.0516 418 LEU B N 7431 C CA . LEU B 418 ? 0.5538 0.5075 0.4189 -0.0763 0.0083 -0.0498 418 LEU B CA 7432 C C . LEU B 418 ? 0.6200 0.5494 0.4713 -0.0785 0.0094 -0.0513 418 LEU B C 7433 O O . LEU B 418 ? 0.6410 0.5548 0.4809 -0.0816 0.0108 -0.0488 418 LEU B O 7434 C CB . LEU B 418 ? 0.5396 0.4975 0.4116 -0.0641 0.0077 -0.0507 418 LEU B CB 7435 C CG . LEU B 418 ? 0.5589 0.5351 0.4413 -0.0596 0.0065 -0.0491 418 LEU B CG 7436 C CD1 . LEU B 418 ? 0.5266 0.5045 0.4145 -0.0496 0.0060 -0.0514 418 LEU B CD1 7437 C CD2 . LEU B 418 ? 0.6307 0.6091 0.5106 -0.0614 0.0077 -0.0454 418 LEU B CD2 7438 N N . ALA B 419 ? 0.5855 0.5100 0.4357 -0.0769 0.0090 -0.0554 419 ALA B N 7439 C CA . ALA B 419 ? 0.6080 0.5101 0.4451 -0.0775 0.0099 -0.0583 419 ALA B CA 7440 C C . ALA B 419 ? 0.7282 0.6183 0.5538 -0.0908 0.0101 -0.0574 419 ALA B C 7441 O O . ALA B 419 ? 0.7523 0.6182 0.5627 -0.0920 0.0110 -0.0572 419 ALA B O 7442 C CB . ALA B 419 ? 0.6029 0.5070 0.4424 -0.0742 0.0101 -0.0634 419 ALA B CB 7443 N N . ALA B 420 ? 0.6915 0.5982 0.5236 -0.1006 0.0090 -0.0573 420 ALA B N 7444 C CA . ALA B 420 ? 0.7057 0.6061 0.5294 -0.1153 0.0093 -0.0576 420 ALA B CA 7445 C C . ALA B 420 ? 0.7686 0.6633 0.5863 -0.1221 0.0119 -0.0533 420 ALA B C 7446 O O . ALA B 420 ? 0.8005 0.6785 0.6046 -0.1342 0.0135 -0.0533 420 ALA B O 7447 C CB . ALA B 420 ? 0.6975 0.6222 0.5319 -0.1223 0.0065 -0.0598 420 ALA B CB 7448 N N . GLN B 421 ? 0.7047 0.6111 0.5302 -0.1151 0.0126 -0.0497 421 GLN B N 7449 C CA . GLN B 421 ? 0.7178 0.6205 0.5369 -0.1212 0.0157 -0.0453 421 GLN B CA 7450 C C . GLN B 421 ? 0.7662 0.6442 0.5715 -0.1116 0.0166 -0.0419 421 GLN B C 7451 O O . GLN B 421 ? 0.7538 0.6335 0.5566 -0.1113 0.0186 -0.0377 421 GLN B O 7452 C CB . GLN B 421 ? 0.7169 0.6523 0.5529 -0.1221 0.0159 -0.0442 421 GLN B CB 7453 C CG . GLN B 421 ? 0.8673 0.8225 0.7103 -0.1364 0.0157 -0.0474 421 GLN B CG 7454 C CD . GLN B 421 ? 0.9940 0.9817 0.8564 -0.1305 0.0120 -0.0500 421 GLN B CD 7455 O OE1 . GLN B 421 ? 0.9430 0.9377 0.8103 -0.1294 0.0081 -0.0537 421 GLN B OE1 7456 N NE2 . GLN B 421 ? 0.9231 0.9297 0.7948 -0.1263 0.0130 -0.0482 421 GLN B NE2 7457 N N . GLY B 422 ? 0.7463 0.6008 0.5409 -0.1042 0.0151 -0.0443 422 GLY B N 7458 C CA . GLY B 422 ? 0.7634 0.5910 0.5419 -0.0936 0.0146 -0.0425 422 GLY B CA 7459 C C . GLY B 422 ? 0.7848 0.6194 0.5718 -0.0753 0.0121 -0.0437 422 GLY B C 7460 O O . GLY B 422 ? 0.8111 0.6235 0.5841 -0.0652 0.0106 -0.0433 422 GLY B O 7461 N N . ALA B 423 ? 0.6930 0.5572 0.5016 -0.0705 0.0114 -0.0454 423 ALA B N 7462 C CA . ALA B 423 ? 0.6587 0.5309 0.4759 -0.0549 0.0094 -0.0475 423 ALA B CA 7463 C C . ALA B 423 ? 0.6965 0.5622 0.5141 -0.0457 0.0082 -0.0538 423 ALA B C 7464 O O . ALA B 423 ? 0.6840 0.5473 0.5010 -0.0513 0.0091 -0.0570 423 ALA B O 7465 C CB . ALA B 423 ? 0.6292 0.5314 0.4665 -0.0539 0.0092 -0.0475 423 ALA B CB 7466 N N . ARG B 424 ? 0.6355 0.5010 0.4550 -0.0314 0.0061 -0.0565 424 ARG B N 7467 C CA . ARG B 424 ? 0.6323 0.4996 0.4564 -0.0214 0.0055 -0.0641 424 ARG B CA 7468 C C . ARG B 424 ? 0.6157 0.5125 0.4612 -0.0213 0.0066 -0.0666 424 ARG B C 7469 O O . ARG B 424 ? 0.5865 0.4962 0.4402 -0.0173 0.0054 -0.0648 424 ARG B O 7470 C CB . ARG B 424 ? 0.7032 0.5586 0.5193 -0.0058 0.0019 -0.0663 424 ARG B CB 7471 C CG . ARG B 424 ? 0.9424 0.7986 0.7613 0.0064 0.0009 -0.0755 424 ARG B CG 7472 C CD . ARG B 424 ? 1.1819 1.0127 0.9818 0.0198 -0.0037 -0.0758 424 ARG B CD 7473 N NE . ARG B 424 ? 1.2676 1.1042 1.0723 0.0366 -0.0064 -0.0857 424 ARG B NE 7474 C CZ . ARG B 424 ? 1.2846 1.1120 1.0839 0.0408 -0.0057 -0.0925 424 ARG B CZ 7475 N NH1 . ARG B 424 ? 1.2582 1.0951 1.0636 0.0573 -0.0081 -0.1026 424 ARG B NH1 7476 N NH2 . ARG B 424 ? 0.7677 0.5785 0.5563 0.0285 -0.0027 -0.0902 424 ARG B NH2 7477 N N . VAL B 425 ? 0.5541 0.4593 0.4059 -0.0267 0.0089 -0.0701 425 VAL B N 7478 C CA . VAL B 425 ? 0.5187 0.4464 0.3860 -0.0288 0.0104 -0.0717 425 VAL B CA 7479 C C . VAL B 425 ? 0.5454 0.4798 0.4185 -0.0240 0.0127 -0.0797 425 VAL B C 7480 O O . VAL B 425 ? 0.5365 0.4603 0.4019 -0.0243 0.0141 -0.0832 425 VAL B O 7481 C CB . VAL B 425 ? 0.5571 0.4888 0.4245 -0.0410 0.0111 -0.0681 425 VAL B CB 7482 C CG1 . VAL B 425 ? 0.5352 0.4845 0.4138 -0.0425 0.0119 -0.0688 425 VAL B CG1 7483 C CG2 . VAL B 425 ? 0.5527 0.4808 0.4152 -0.0472 0.0097 -0.0617 425 VAL B CG2 7484 N N . TYR B 426 ? 0.5162 0.4687 0.4022 -0.0205 0.0137 -0.0831 426 TYR B N 7485 C CA . TYR B 426 ? 0.5006 0.4647 0.3941 -0.0191 0.0174 -0.0912 426 TYR B CA 7486 C C . TYR B 426 ? 0.5260 0.5016 0.4259 -0.0277 0.0197 -0.0895 426 TYR B C 7487 O O . TYR B 426 ? 0.5114 0.4932 0.4162 -0.0280 0.0174 -0.0856 426 TYR B O 7488 C CB . TYR B 426 ? 0.4924 0.4680 0.3951 -0.0073 0.0164 -0.0982 426 TYR B CB 7489 C CG . TYR B 426 ? 0.5003 0.4618 0.3938 0.0039 0.0132 -0.1007 426 TYR B CG 7490 C CD1 . TYR B 426 ? 0.5159 0.4740 0.4061 0.0084 0.0153 -0.1084 426 TYR B CD1 7491 C CD2 . TYR B 426 ? 0.5062 0.4552 0.3917 0.0102 0.0082 -0.0955 426 TYR B CD2 7492 C CE1 . TYR B 426 ? 0.5154 0.4564 0.3940 0.0200 0.0117 -0.1108 426 TYR B CE1 7493 C CE2 . TYR B 426 ? 0.5314 0.4616 0.4037 0.0208 0.0048 -0.0971 426 TYR B CE2 7494 C CZ . TYR B 426 ? 0.5932 0.5185 0.4618 0.0262 0.0061 -0.1048 426 TYR B CZ 7495 O OH . TYR B 426 ? 0.5619 0.4656 0.4151 0.0384 0.0019 -0.1067 426 TYR B OH 7496 N N . ALA B 427 ? 0.4770 0.4533 0.3745 -0.0345 0.0238 -0.0923 427 ALA B N 7497 C CA . ALA B 427 ? 0.4615 0.4432 0.3601 -0.0427 0.0256 -0.0902 427 ALA B CA 7498 C C . ALA B 427 ? 0.5215 0.5134 0.4246 -0.0457 0.0316 -0.0976 427 ALA B C 7499 O O . ALA B 427 ? 0.5100 0.5046 0.4136 -0.0434 0.0353 -0.1045 427 ALA B O 7500 C CB . ALA B 427 ? 0.4765 0.4470 0.3638 -0.0502 0.0245 -0.0850 427 ALA B CB 7501 N N . TYR B 428 ? 0.4719 0.4692 0.3774 -0.0514 0.0331 -0.0967 428 TYR B N 7502 C CA . TYR B 428 ? 0.4761 0.4825 0.3842 -0.0576 0.0400 -0.1035 428 TYR B CA 7503 C C . TYR B 428 ? 0.5292 0.5272 0.4272 -0.0678 0.0417 -0.0993 428 TYR B C 7504 O O . TYR B 428 ? 0.4989 0.4879 0.3913 -0.0676 0.0364 -0.0919 428 TYR B O 7505 C CB . TYR B 428 ? 0.4749 0.5003 0.3990 -0.0528 0.0407 -0.1106 428 TYR B CB 7506 C CG . TYR B 428 ? 0.4784 0.5054 0.4065 -0.0524 0.0365 -0.1065 428 TYR B CG 7507 C CD1 . TYR B 428 ? 0.4911 0.5160 0.4154 -0.0620 0.0391 -0.1057 428 TYR B CD1 7508 C CD2 . TYR B 428 ? 0.4691 0.4962 0.4015 -0.0429 0.0299 -0.1028 428 TYR B CD2 7509 C CE1 . TYR B 428 ? 0.4695 0.4927 0.3950 -0.0611 0.0347 -0.1018 428 TYR B CE1 7510 C CE2 . TYR B 428 ? 0.4723 0.5004 0.4070 -0.0422 0.0261 -0.0991 428 TYR B CE2 7511 C CZ . TYR B 428 ? 0.5355 0.5620 0.4673 -0.0508 0.0283 -0.0989 428 TYR B CZ 7512 O OH . TYR B 428 ? 0.4694 0.4949 0.4018 -0.0494 0.0243 -0.0958 428 TYR B OH 7513 N N . ILE B 429 ? 0.5010 0.5020 0.3957 -0.0766 0.0492 -0.1045 429 ILE B N 7514 C CA . ILE B 429 ? 0.5146 0.5062 0.3979 -0.0871 0.0521 -0.1020 429 ILE B CA 7515 C C . ILE B 429 ? 0.5381 0.5462 0.4322 -0.0927 0.0588 -0.1107 429 ILE B C 7516 O O . ILE B 429 ? 0.5369 0.5600 0.4393 -0.0932 0.0647 -0.1193 429 ILE B O 7517 C CB . ILE B 429 ? 0.5717 0.5458 0.4341 -0.0953 0.0551 -0.0988 429 ILE B CB 7518 C CG1 . ILE B 429 ? 0.5986 0.5582 0.4457 -0.1051 0.0569 -0.0953 429 ILE B CG1 7519 C CG2 . ILE B 429 ? 0.5708 0.5520 0.4326 -0.0992 0.0633 -0.1064 429 ILE B CG2 7520 C CD1 . ILE B 429 ? 0.7109 0.6468 0.5329 -0.1095 0.0553 -0.0887 429 ILE B CD1 7521 N N . PHE B 430 ? 0.5020 0.5091 0.3972 -0.0963 0.0575 -0.1095 430 PHE B N 7522 C CA . PHE B 430 ? 0.4838 0.5071 0.3894 -0.1037 0.0634 -0.1181 430 PHE B CA 7523 C C . PHE B 430 ? 0.5510 0.5595 0.4384 -0.1200 0.0709 -0.1176 430 PHE B C 7524 O O . PHE B 430 ? 0.5443 0.5296 0.4143 -0.1232 0.0675 -0.1097 430 PHE B O 7525 C CB . PHE B 430 ? 0.4820 0.5114 0.3984 -0.0980 0.0571 -0.1176 430 PHE B CB 7526 C CG . PHE B 430 ? 0.4975 0.5462 0.4267 -0.1052 0.0620 -0.1276 430 PHE B CG 7527 C CD1 . PHE B 430 ? 0.5443 0.5828 0.4628 -0.1199 0.0667 -0.1281 430 PHE B CD1 7528 C CD2 . PHE B 430 ? 0.4992 0.5755 0.4503 -0.0970 0.0610 -0.1367 430 PHE B CD2 7529 C CE1 . PHE B 430 ? 0.5557 0.6132 0.4866 -0.1284 0.0711 -0.1382 430 PHE B CE1 7530 C CE2 . PHE B 430 ? 0.5253 0.6228 0.4900 -0.1034 0.0644 -0.1470 430 PHE B CE2 7531 C CZ . PHE B 430 ? 0.5176 0.6069 0.4731 -0.1202 0.0701 -0.1480 430 PHE B CZ 7532 N N . GLU B 431 ? 0.5359 0.5568 0.4254 -0.1300 0.0812 -0.1262 431 GLU B N 7533 C CA . GLU B 431 ? 0.5702 0.5746 0.4384 -0.1472 0.0900 -0.1254 431 GLU B CA 7534 C C . GLU B 431 ? 0.6460 0.6635 0.5193 -0.1625 0.0993 -0.1344 431 GLU B C 7535 O O . GLU B 431 ? 0.6807 0.6847 0.5350 -0.1788 0.1082 -0.1345 431 GLU B O 7536 C CB . GLU B 431 ? 0.5908 0.5929 0.4492 -0.1498 0.0961 -0.1267 431 GLU B CB 7537 C CG . GLU B 431 ? 0.6355 0.6258 0.4884 -0.1367 0.0877 -0.1193 431 GLU B CG 7538 C CD . GLU B 431 ? 0.7660 0.7524 0.6073 -0.1400 0.0936 -0.1211 431 GLU B CD 7539 O OE1 . GLU B 431 ? 0.6496 0.6576 0.5024 -0.1421 0.1018 -0.1315 431 GLU B OE1 7540 O OE2 . GLU B 431 ? 0.6774 0.6400 0.4978 -0.1399 0.0898 -0.1129 431 GLU B OE2 7541 N N . HIS B 432 ? 0.5939 0.6378 0.4916 -0.1583 0.0976 -0.1423 432 HIS B N 7542 C CA . HIS B 432 ? 0.6014 0.6615 0.5062 -0.1743 0.1064 -0.1524 432 HIS B CA 7543 C C . HIS B 432 ? 0.6662 0.7049 0.5582 -0.1831 0.1036 -0.1476 432 HIS B C 7544 O O . HIS B 432 ? 0.6394 0.6746 0.5375 -0.1714 0.0933 -0.1433 432 HIS B O 7545 C CB . HIS B 432 ? 0.5828 0.6857 0.5204 -0.1670 0.1068 -0.1660 432 HIS B CB 7546 C CG . HIS B 432 ? 0.6235 0.7463 0.5709 -0.1835 0.1145 -0.1771 432 HIS B CG 7547 N ND1 . HIS B 432 ? 0.6644 0.7951 0.6063 -0.2035 0.1286 -0.1847 432 HIS B ND1 7548 C CD2 . HIS B 432 ? 0.6354 0.7681 0.5946 -0.1846 0.1101 -0.1811 432 HIS B CD2 7549 C CE1 . HIS B 432 ? 0.6564 0.8038 0.6087 -0.2167 0.1326 -0.1938 432 HIS B CE1 7550 N NE2 . HIS B 432 ? 0.6454 0.7946 0.6086 -0.2056 0.1213 -0.1921 432 HIS B NE2 7551 N N . ARG B 433 ? 0.6510 0.6749 0.5243 -0.2042 0.1134 -0.1488 433 ARG B N 7552 C CA . ARG B 433 ? 0.6660 0.6662 0.5235 -0.2150 0.1122 -0.1456 433 ARG B CA 7553 C C . ARG B 433 ? 0.7035 0.7349 0.5831 -0.2261 0.1176 -0.1593 433 ARG B C 7554 O O . ARG B 433 ? 0.7025 0.7554 0.5889 -0.2415 0.1298 -0.1697 433 ARG B O 7555 C CB . ARG B 433 ? 0.7062 0.6681 0.5264 -0.2328 0.1197 -0.1391 433 ARG B CB 7556 C CG . ARG B 433 ? 0.7513 0.6811 0.5498 -0.2431 0.1175 -0.1350 433 ARG B CG 7557 C CD . ARG B 433 ? 0.8197 0.7087 0.5779 -0.2612 0.1253 -0.1290 433 ARG B CD 7558 N NE . ARG B 433 ? 0.8836 0.7518 0.6252 -0.2798 0.1294 -0.1312 433 ARG B NE 7559 C CZ . ARG B 433 ? 1.0097 0.8352 0.7232 -0.2778 0.1216 -0.1222 433 ARG B CZ 7560 N NH1 . ARG B 433 ? 0.8312 0.6339 0.5322 -0.2573 0.1091 -0.1110 433 ARG B NH1 7561 N NH2 . ARG B 433 ? 0.8370 0.6424 0.5342 -0.2962 0.1261 -0.1252 433 ARG B NH2 7562 N N . ALA B 434 ? 0.6348 0.6711 0.5264 -0.2183 0.1086 -0.1602 434 ALA B N 7563 C CA . ALA B 434 ? 0.6276 0.6931 0.5401 -0.2277 0.1115 -0.1734 434 ALA B CA 7564 C C . ALA B 434 ? 0.7103 0.7655 0.6062 -0.2569 0.1248 -0.1788 434 ALA B C 7565 O O . ALA B 434 ? 0.7094 0.7210 0.5720 -0.2673 0.1259 -0.1694 434 ALA B O 7566 C CB . ALA B 434 ? 0.6289 0.6879 0.5460 -0.2166 0.0994 -0.1705 434 ALA B CB 7567 N N . SER B 435 ? 0.6908 0.7860 0.6087 -0.2701 0.1348 -0.1943 435 SER B N 7568 C CA . SER B 435 ? 0.7335 0.8266 0.6396 -0.3007 0.1494 -0.2020 435 SER B CA 7569 C C . SER B 435 ? 0.8394 0.9038 0.7281 -0.3142 0.1469 -0.2000 435 SER B C 7570 O O . SER B 435 ? 0.8702 0.9064 0.7312 -0.3389 0.1570 -0.1989 435 SER B O 7571 C CB . SER B 435 ? 0.7456 0.8966 0.6862 -0.3090 0.1585 -0.2214 435 SER B CB 7572 O OG . SER B 435 ? 0.7979 0.9812 0.7682 -0.2990 0.1496 -0.2309 435 SER B OG 7573 N N . THR B 436 ? 0.8108 0.8790 0.7127 -0.2976 0.1335 -0.1991 436 THR B N 7574 C CA . THR B 436 ? 0.8413 0.8858 0.7305 -0.3060 0.1289 -0.1985 436 THR B CA 7575 C C . THR B 436 ? 0.9121 0.8983 0.7646 -0.2981 0.1204 -0.1815 436 THR B C 7576 O O . THR B 436 ? 0.9444 0.9040 0.7803 -0.3062 0.1174 -0.1806 436 THR B O 7577 C CB . THR B 436 ? 0.9366 1.0184 0.8594 -0.2920 0.1189 -0.2079 436 THR B CB 7578 O OG1 . THR B 436 ? 0.9143 1.0010 0.8483 -0.2619 0.1066 -0.2000 436 THR B OG1 7579 C CG2 . THR B 436 ? 0.9127 1.0515 0.8699 -0.3024 0.1266 -0.2272 436 THR B CG2 7580 N N . LEU B 437 ? 0.8365 0.8039 0.6764 -0.2822 0.1163 -0.1691 437 LEU B N 7581 C CA . LEU B 437 ? 0.8355 0.7531 0.6432 -0.2713 0.1073 -0.1538 437 LEU B CA 7582 C C . LEU B 437 ? 0.8997 0.7689 0.6675 -0.2922 0.1123 -0.1500 437 LEU B C 7583 O O . LEU B 437 ? 0.9112 0.7730 0.6639 -0.3151 0.1254 -0.1531 437 LEU B O 7584 C CB . LEU B 437 ? 0.8260 0.7356 0.6258 -0.2579 0.1059 -0.1440 437 LEU B CB 7585 C CG . LEU B 437 ? 0.8726 0.7573 0.6607 -0.2343 0.0922 -0.1308 437 LEU B CG 7586 C CD1 . LEU B 437 ? 0.8676 0.7472 0.6605 -0.2229 0.0812 -0.1301 437 LEU B CD1 7587 C CD2 . LEU B 437 ? 0.8693 0.7811 0.6794 -0.2160 0.0885 -0.1291 437 LEU B CD2 7588 N N . THR B 438 ? 0.8658 0.7013 0.6151 -0.2843 0.1021 -0.1438 438 THR B N 7589 C CA . THR B 438 ? 0.9157 0.6992 0.6239 -0.3017 0.1046 -0.1401 438 THR B CA 7590 C C . THR B 438 ? 0.9748 0.7072 0.6440 -0.2905 0.0982 -0.1251 438 THR B C 7591 O O . THR B 438 ? 1.0162 0.6989 0.6445 -0.3037 0.1003 -0.1205 438 THR B O 7592 C CB . THR B 438 ? 1.0189 0.7991 0.7312 -0.3036 0.0987 -0.1462 438 THR B CB 7593 O OG1 . THR B 438 ? 0.9999 0.7845 0.7243 -0.2749 0.0838 -0.1411 438 THR B OG1 7594 C CG2 . THR B 438 ? 0.9785 0.8064 0.7245 -0.3194 0.1063 -0.1624 438 THR B CG2 7595 N N . TRP B 439 ? 0.9013 0.6451 0.5816 -0.2664 0.0900 -0.1180 439 TRP B N 7596 C CA . TRP B 439 ? 0.9057 0.6090 0.5533 -0.2542 0.0834 -0.1050 439 TRP B CA 7597 C C . TRP B 439 ? 0.9611 0.6500 0.5863 -0.2727 0.0957 -0.1031 439 TRP B C 7598 O O . TRP B 439 ? 0.9330 0.6570 0.5801 -0.2870 0.1074 -0.1118 439 TRP B O 7599 C CB . TRP B 439 ? 0.8372 0.5639 0.5072 -0.2265 0.0727 -0.0999 439 TRP B CB 7600 C CG . TRP B 439 ? 0.8236 0.5568 0.5076 -0.2074 0.0603 -0.0998 439 TRP B CG 7601 C CD1 . TRP B 439 ? 0.8126 0.5884 0.5348 -0.1980 0.0573 -0.1063 439 TRP B CD1 7602 C CD2 . TRP B 439 ? 0.8448 0.5399 0.5031 -0.1954 0.0495 -0.0934 439 TRP B CD2 7603 N NE1 . TRP B 439 ? 0.7992 0.5666 0.5211 -0.1816 0.0459 -0.1039 439 TRP B NE1 7604 C CE2 . TRP B 439 ? 0.8597 0.5791 0.5438 -0.1794 0.0410 -0.0965 439 TRP B CE2 7605 C CE3 . TRP B 439 ? 0.9034 0.5451 0.5174 -0.1954 0.0457 -0.0857 439 TRP B CE3 7606 C CZ2 . TRP B 439 ? 0.8625 0.5577 0.5318 -0.1638 0.0297 -0.0928 439 TRP B CZ2 7607 C CZ3 . TRP B 439 ? 0.9274 0.5446 0.5269 -0.1780 0.0333 -0.0820 439 TRP B CZ3 7608 C CH2 . TRP B 439 ? 0.9054 0.5507 0.5334 -0.1627 0.0258 -0.0858 439 TRP B CH2 7609 N N . PRO B 440 ? 0.9689 0.6070 0.5497 -0.2737 0.0940 -0.0929 440 PRO B N 7610 C CA . PRO B 440 ? 1.0019 0.6257 0.5593 -0.2921 0.1064 -0.0912 440 PRO B CA 7611 C C . PRO B 440 ? 1.0228 0.6855 0.6059 -0.2839 0.1095 -0.0920 440 PRO B C 7612 O O . PRO B 440 ? 0.9611 0.6484 0.5697 -0.2605 0.0992 -0.0901 440 PRO B O 7613 C CB . PRO B 440 ? 1.0694 0.6294 0.5737 -0.2873 0.0994 -0.0789 440 PRO B CB 7614 C CG . PRO B 440 ? 1.0940 0.6529 0.6072 -0.2575 0.0817 -0.0738 440 PRO B CG 7615 C CD . PRO B 440 ? 1.0058 0.5978 0.5547 -0.2565 0.0802 -0.0829 440 PRO B CD 7616 N N . LEU B 441 ? 1.0188 0.6858 0.5935 -0.3038 0.1240 -0.0952 441 LEU B N 7617 C CA . LEU B 441 ? 1.0038 0.7039 0.5982 -0.2987 0.1286 -0.0971 441 LEU B CA 7618 C C . LEU B 441 ? 1.0285 0.7126 0.6109 -0.2760 0.1168 -0.0863 441 LEU B C 7619 O O . LEU B 441 ? 0.9888 0.7076 0.5997 -0.2624 0.1143 -0.0882 441 LEU B O 7620 C CB . LEU B 441 ? 1.0438 0.7426 0.6221 -0.3252 0.1467 -0.1015 441 LEU B CB 7621 C CG . LEU B 441 ? 1.1293 0.8613 0.7298 -0.3489 0.1611 -0.1157 441 LEU B CG 7622 C CD1 . LEU B 441 ? 1.1785 0.8972 0.7520 -0.3773 0.1791 -0.1181 441 LEU B CD1 7623 C CD2 . LEU B 441 ? 1.1347 0.9320 0.7900 -0.3378 0.1612 -0.1271 441 LEU B CD2 7624 N N . TRP B 442 ? 1.0075 0.6395 0.5475 -0.2712 0.1089 -0.0756 442 TRP B N 7625 C CA . TRP B 442 ? 0.9961 0.6136 0.5235 -0.2496 0.0968 -0.0662 442 TRP B CA 7626 C C . TRP B 442 ? 0.9880 0.6370 0.5517 -0.2241 0.0834 -0.0664 442 TRP B C 7627 O O . TRP B 442 ? 0.9799 0.6389 0.5502 -0.2086 0.0766 -0.0626 442 TRP B O 7628 C CB . TRP B 442 ? 1.0286 0.5840 0.5022 -0.2477 0.0897 -0.0556 442 TRP B CB 7629 C CG . TRP B 442 ? 1.0469 0.5762 0.5095 -0.2364 0.0777 -0.0525 442 TRP B CG 7630 C CD1 . TRP B 442 ? 1.1196 0.6129 0.5553 -0.2505 0.0806 -0.0527 442 TRP B CD1 7631 C CD2 . TRP B 442 ? 1.0218 0.5561 0.4963 -0.2086 0.0607 -0.0488 442 TRP B CD2 7632 N NE1 . TRP B 442 ? 1.1115 0.5873 0.5424 -0.2319 0.0662 -0.0497 442 TRP B NE1 7633 C CE2 . TRP B 442 ? 1.0875 0.5896 0.5427 -0.2059 0.0541 -0.0474 442 TRP B CE2 7634 C CE3 . TRP B 442 ? 0.9979 0.5619 0.4979 -0.1866 0.0509 -0.0471 442 TRP B CE3 7635 C CZ2 . TRP B 442 ? 1.0659 0.5671 0.5276 -0.1810 0.0384 -0.0449 442 TRP B CZ2 7636 C CZ3 . TRP B 442 ? 0.9999 0.5641 0.5070 -0.1637 0.0360 -0.0446 442 TRP B CZ3 7637 C CH2 . TRP B 442 ? 1.0324 0.5669 0.5213 -0.1604 0.0299 -0.0437 442 TRP B CH2 7638 N N . MET B 443 ? 0.9071 0.5713 0.4931 -0.2209 0.0800 -0.0710 443 MET B N 7639 C CA . MET B 443 ? 0.8449 0.5384 0.4638 -0.1987 0.0686 -0.0714 443 MET B CA 7640 C C . MET B 443 ? 0.8365 0.5809 0.4967 -0.1951 0.0728 -0.0779 443 MET B C 7641 O O . MET B 443 ? 0.8143 0.5807 0.4981 -0.1769 0.0639 -0.0771 443 MET B O 7642 C CB . MET B 443 ? 0.8639 0.5542 0.4894 -0.1960 0.0633 -0.0741 443 MET B CB 7643 C CG . MET B 443 ? 0.9348 0.5785 0.5245 -0.1867 0.0528 -0.0664 443 MET B CG 7644 S SD . MET B 443 ? 0.9822 0.6155 0.5736 -0.1835 0.0464 -0.0698 443 MET B SD 7645 C CE . MET B 443 ? 0.8898 0.5724 0.5276 -0.1629 0.0387 -0.0729 443 MET B CE 7646 N N . GLY B 444 ? 0.7951 0.5554 0.4610 -0.2122 0.0863 -0.0844 444 GLY B N 7647 C CA . GLY B 444 ? 0.7634 0.5676 0.4631 -0.2096 0.0913 -0.0915 444 GLY B CA 7648 C C . GLY B 444 ? 0.7799 0.6210 0.5180 -0.2003 0.0874 -0.0983 444 GLY B C 7649 O O . GLY B 444 ? 0.7548 0.6032 0.5009 -0.2100 0.0910 -0.1047 444 GLY B O 7650 N N . VAL B 445 ? 0.7035 0.5668 0.4640 -0.1818 0.0799 -0.0970 445 VAL B N 7651 C CA . VAL B 445 ? 0.6589 0.5538 0.4525 -0.1703 0.0747 -0.1020 445 VAL B CA 7652 C C . VAL B 445 ? 0.6790 0.5586 0.4675 -0.1541 0.0616 -0.0939 445 VAL B C 7653 O O . VAL B 445 ? 0.6570 0.5378 0.4475 -0.1407 0.0550 -0.0885 445 VAL B O 7654 C CB . VAL B 445 ? 0.6735 0.6026 0.4939 -0.1616 0.0760 -0.1069 445 VAL B CB 7655 C CG1 . VAL B 445 ? 0.6449 0.6030 0.4953 -0.1504 0.0708 -0.1122 445 VAL B CG1 7656 C CG2 . VAL B 445 ? 0.6767 0.6198 0.4991 -0.1759 0.0890 -0.1149 445 VAL B CG2 7657 N N . PRO B 446 ? 0.6423 0.5064 0.4225 -0.1552 0.0576 -0.0933 446 PRO B N 7658 C CA . PRO B 446 ? 0.6313 0.4828 0.4066 -0.1386 0.0455 -0.0864 446 PRO B CA 7659 C C . PRO B 446 ? 0.6614 0.5443 0.4672 -0.1240 0.0397 -0.0886 446 PRO B C 7660 O O . PRO B 446 ? 0.6234 0.5346 0.4526 -0.1264 0.0440 -0.0959 446 PRO B O 7661 C CB . PRO B 446 ? 0.6715 0.4967 0.4279 -0.1455 0.0443 -0.0868 446 PRO B CB 7662 C CG . PRO B 446 ? 0.7437 0.5630 0.4906 -0.1682 0.0565 -0.0924 446 PRO B CG 7663 C CD . PRO B 446 ? 0.6648 0.5227 0.4397 -0.1715 0.0639 -0.0994 446 PRO B CD 7664 N N A HIS B 447 ? 0.6074 0.4849 0.4115 -0.1083 0.0297 -0.0824 447 HIS B N 7665 N N B HIS B 447 ? 0.6363 0.5143 0.4405 -0.1090 0.0302 -0.0826 447 HIS B N 7666 C CA A HIS B 447 ? 0.5659 0.4684 0.3939 -0.0945 0.0240 -0.0830 447 HIS B CA 7667 C CA B HIS B 447 ? 0.6108 0.5113 0.4370 -0.0946 0.0239 -0.0825 447 HIS B CA 7668 C C A HIS B 447 ? 0.6210 0.5381 0.4642 -0.0961 0.0246 -0.0897 447 HIS B C 7669 C C B HIS B 447 ? 0.6418 0.5583 0.4845 -0.0960 0.0245 -0.0895 447 HIS B C 7670 O O A HIS B 447 ? 0.6345 0.5355 0.4659 -0.1016 0.0242 -0.0912 447 HIS B O 7671 O O B HIS B 447 ? 0.6557 0.5562 0.4868 -0.1009 0.0238 -0.0909 447 HIS B O 7672 C CB A HIS B 447 ? 0.5658 0.4597 0.3870 -0.0797 0.0142 -0.0760 447 HIS B CB 7673 C CB B HIS B 447 ? 0.6370 0.5188 0.4479 -0.0831 0.0147 -0.0757 447 HIS B CB 7674 C CG A HIS B 447 ? 0.6062 0.4890 0.4208 -0.0730 0.0079 -0.0756 447 HIS B CG 7675 C CG B HIS B 447 ? 0.6592 0.5582 0.4857 -0.0682 0.0076 -0.0739 447 HIS B CG 7676 N ND1 A HIS B 447 ? 0.6514 0.5041 0.4414 -0.0784 0.0072 -0.0748 447 HIS B ND1 7677 N ND1 B HIS B 447 ? 0.6625 0.5768 0.4998 -0.0617 0.0060 -0.0713 447 HIS B ND1 7678 C CD2 A HIS B 447 ? 0.6043 0.5007 0.4317 -0.0609 0.0019 -0.0756 447 HIS B CD2 7679 C CD2 B HIS B 447 ? 0.6765 0.5756 0.5050 -0.0594 0.0017 -0.0741 447 HIS B CD2 7680 C CE1 A HIS B 447 ? 0.6453 0.4946 0.4349 -0.0686 0.0006 -0.0751 447 HIS B CE1 7681 C CE1 B HIS B 447 ? 0.6377 0.5624 0.4841 -0.0503 0.0000 -0.0699 447 HIS B CE1 7682 N NE2 A HIS B 447 ? 0.6193 0.4959 0.4317 -0.0581 -0.0025 -0.0757 447 HIS B NE2 7683 N NE2 B HIS B 447 ? 0.6533 0.5701 0.4950 -0.0480 -0.0027 -0.0716 447 HIS B NE2 7684 N N . GLY B 448 ? 0.5631 0.5087 0.4301 -0.0921 0.0257 -0.0942 448 GLY B N 7685 C CA . GLY B 448 ? 0.5418 0.5061 0.4257 -0.0916 0.0252 -0.1013 448 GLY B CA 7686 C C . GLY B 448 ? 0.6091 0.5883 0.5026 -0.1050 0.0333 -0.1110 448 GLY B C 7687 O O . GLY B 448 ? 0.5939 0.5940 0.5045 -0.1034 0.0323 -0.1182 448 GLY B O 7688 N N . TYR B 449 ? 0.5790 0.5503 0.4623 -0.1181 0.0414 -0.1120 449 TYR B N 7689 C CA . TYR B 449 ? 0.5670 0.5551 0.4595 -0.1330 0.0504 -0.1225 449 TYR B CA 7690 C C . TYR B 449 ? 0.5704 0.5906 0.4855 -0.1287 0.0539 -0.1290 449 TYR B C 7691 O O . TYR B 449 ? 0.5554 0.5943 0.4803 -0.1398 0.0618 -0.1388 449 TYR B O 7692 C CB . TYR B 449 ? 0.5986 0.5618 0.4671 -0.1517 0.0586 -0.1217 449 TYR B CB 7693 C CG . TYR B 449 ? 0.6194 0.5575 0.4708 -0.1575 0.0556 -0.1204 449 TYR B CG 7694 C CD1 . TYR B 449 ? 0.6386 0.5890 0.4998 -0.1675 0.0580 -0.1299 449 TYR B CD1 7695 C CD2 . TYR B 449 ? 0.6286 0.5330 0.4561 -0.1501 0.0486 -0.1104 449 TYR B CD2 7696 C CE1 . TYR B 449 ? 0.6507 0.5761 0.4953 -0.1721 0.0546 -0.1290 449 TYR B CE1 7697 C CE2 . TYR B 449 ? 0.6551 0.5346 0.4657 -0.1531 0.0449 -0.1096 449 TYR B CE2 7698 C CZ . TYR B 449 ? 0.7388 0.6273 0.5572 -0.1646 0.0481 -0.1187 449 TYR B CZ 7699 O OH . TYR B 449 ? 0.7728 0.6342 0.5728 -0.1674 0.0441 -0.1183 449 TYR B OH 7700 N N . GLU B 450 ? 0.5117 0.5399 0.4362 -0.1120 0.0474 -0.1249 450 GLU B N 7701 C CA . GLU B 450 ? 0.4885 0.5435 0.4327 -0.1039 0.0481 -0.1308 450 GLU B CA 7702 C C . GLU B 450 ? 0.5035 0.5789 0.4657 -0.0934 0.0416 -0.1359 450 GLU B C 7703 O O . GLU B 450 ? 0.4917 0.5928 0.4715 -0.0885 0.0423 -0.1445 450 GLU B O 7704 C CB . GLU B 450 ? 0.4911 0.5378 0.4304 -0.0930 0.0449 -0.1228 450 GLU B CB 7705 C CG . GLU B 450 ? 0.4866 0.5295 0.4278 -0.0779 0.0354 -0.1157 450 GLU B CG 7706 C CD . GLU B 450 ? 0.5600 0.5805 0.4859 -0.0768 0.0305 -0.1067 450 GLU B CD 7707 O OE1 . GLU B 450 ? 0.4861 0.4927 0.4004 -0.0863 0.0324 -0.1066 450 GLU B OE1 7708 O OE2 . GLU B 450 ? 0.5074 0.5238 0.4321 -0.0665 0.0246 -0.1000 450 GLU B OE2 7709 N N . ILE B 451 ? 0.4604 0.5239 0.4171 -0.0885 0.0348 -0.1309 451 ILE B N 7710 C CA . ILE B 451 ? 0.4277 0.5059 0.3972 -0.0769 0.0275 -0.1337 451 ILE B CA 7711 C C . ILE B 451 ? 0.4803 0.5861 0.4677 -0.0811 0.0294 -0.1471 451 ILE B C 7712 O O . ILE B 451 ? 0.4753 0.6022 0.4776 -0.0691 0.0252 -0.1520 451 ILE B O 7713 C CB . ILE B 451 ? 0.4765 0.5364 0.4348 -0.0732 0.0212 -0.1271 451 ILE B CB 7714 C CG1 . ILE B 451 ? 0.4588 0.4967 0.4021 -0.0671 0.0184 -0.1151 451 ILE B CG1 7715 C CG2 . ILE B 451 ? 0.4630 0.5386 0.4334 -0.0612 0.0140 -0.1304 451 ILE B CG2 7716 C CD1 . ILE B 451 ? 0.4522 0.4709 0.3822 -0.0642 0.0131 -0.1095 451 ILE B CD1 7717 N N . GLU B 452 ? 0.4607 0.5662 0.4456 -0.0979 0.0354 -0.1533 452 GLU B N 7718 C CA . GLU B 452 ? 0.4665 0.6010 0.4691 -0.1052 0.0380 -0.1676 452 GLU B CA 7719 C C . GLU B 452 ? 0.5039 0.6693 0.5255 -0.1005 0.0413 -0.1768 452 GLU B C 7720 O O . GLU B 452 ? 0.4987 0.6942 0.5396 -0.0961 0.0387 -0.1882 452 GLU B O 7721 C CB . GLU B 452 ? 0.5129 0.6370 0.5054 -0.1279 0.0459 -0.1718 452 GLU B CB 7722 C CG . GLU B 452 ? 0.6454 0.7555 0.6243 -0.1417 0.0562 -0.1690 452 GLU B CG 7723 C CD . GLU B 452 ? 0.8299 0.9106 0.7857 -0.1613 0.0617 -0.1664 452 GLU B CD 7724 O OE1 . GLU B 452 ? 0.7811 0.8710 0.7382 -0.1807 0.0713 -0.1754 452 GLU B OE1 7725 O OE2 . GLU B 452 ? 0.7120 0.7602 0.6476 -0.1571 0.0563 -0.1559 452 GLU B OE2 7726 N N . PHE B 453 ? 0.4769 0.6350 0.4923 -0.1002 0.0462 -0.1723 453 PHE B N 7727 C CA . PHE B 453 ? 0.4588 0.6420 0.4888 -0.0942 0.0494 -0.1804 453 PHE B CA 7728 C C . PHE B 453 ? 0.4851 0.6754 0.5230 -0.0710 0.0396 -0.1785 453 PHE B C 7729 O O . PHE B 453 ? 0.4812 0.7000 0.5366 -0.0620 0.0375 -0.1894 453 PHE B O 7730 C CB . PHE B 453 ? 0.4827 0.6516 0.4999 -0.1027 0.0580 -0.1760 453 PHE B CB 7731 C CG . PHE B 453 ? 0.5056 0.6717 0.5154 -0.1260 0.0690 -0.1804 453 PHE B CG 7732 C CD1 . PHE B 453 ? 0.5442 0.7423 0.5701 -0.1364 0.0775 -0.1952 453 PHE B CD1 7733 C CD2 . PHE B 453 ? 0.5263 0.6579 0.5121 -0.1376 0.0708 -0.1703 453 PHE B CD2 7734 C CE1 . PHE B 453 ? 0.5711 0.7658 0.5885 -0.1605 0.0887 -0.1995 453 PHE B CE1 7735 C CE2 . PHE B 453 ? 0.5850 0.7092 0.5597 -0.1600 0.0810 -0.1739 453 PHE B CE2 7736 C CZ . PHE B 453 ? 0.5765 0.7319 0.5667 -0.1725 0.0904 -0.1882 453 PHE B CZ 7737 N N . ILE B 454 ? 0.4393 0.6038 0.4633 -0.0617 0.0335 -0.1652 454 ILE B N 7738 C CA . ILE B 454 ? 0.4312 0.5952 0.4570 -0.0419 0.0246 -0.1613 454 ILE B CA 7739 C C . ILE B 454 ? 0.4685 0.6501 0.5059 -0.0328 0.0169 -0.1677 454 ILE B C 7740 O O . ILE B 454 ? 0.4578 0.6530 0.5032 -0.0175 0.0112 -0.1722 454 ILE B O 7741 C CB . ILE B 454 ? 0.4651 0.5985 0.4729 -0.0382 0.0213 -0.1460 454 ILE B CB 7742 C CG1 . ILE B 454 ? 0.4753 0.5943 0.4727 -0.0435 0.0271 -0.1408 454 ILE B CG1 7743 C CG2 . ILE B 454 ? 0.4615 0.5924 0.4686 -0.0208 0.0126 -0.1416 454 ILE B CG2 7744 C CD1 . ILE B 454 ? 0.5316 0.6235 0.5117 -0.0478 0.0263 -0.1283 454 ILE B CD1 7745 N N . PHE B 455 ? 0.4140 0.5934 0.4502 -0.0418 0.0163 -0.1683 455 PHE B N 7746 C CA . PHE B 455 ? 0.4031 0.5990 0.4492 -0.0351 0.0091 -0.1752 455 PHE B CA 7747 C C . PHE B 455 ? 0.4867 0.7186 0.5537 -0.0384 0.0111 -0.1922 455 PHE B C 7748 O O . PHE B 455 ? 0.5054 0.7568 0.5834 -0.0294 0.0039 -0.2000 455 PHE B O 7749 C CB . PHE B 455 ? 0.4059 0.5851 0.4419 -0.0426 0.0072 -0.1703 455 PHE B CB 7750 C CG . PHE B 455 ? 0.4117 0.5686 0.4340 -0.0310 0.0009 -0.1575 455 PHE B CG 7751 C CD1 . PHE B 455 ? 0.4540 0.5856 0.4612 -0.0335 0.0037 -0.1455 455 PHE B CD1 7752 C CD2 . PHE B 455 ? 0.4040 0.5665 0.4282 -0.0178 -0.0076 -0.1579 455 PHE B CD2 7753 C CE1 . PHE B 455 ? 0.4513 0.5665 0.4475 -0.0240 -0.0014 -0.1350 455 PHE B CE1 7754 C CE2 . PHE B 455 ? 0.4213 0.5648 0.4324 -0.0088 -0.0121 -0.1466 455 PHE B CE2 7755 C CZ . PHE B 455 ? 0.4099 0.5312 0.4081 -0.0123 -0.0086 -0.1356 455 PHE B CZ 7756 N N . GLY B 456 ? 0.4584 0.7003 0.5305 -0.0511 0.0207 -0.1983 456 GLY B N 7757 C CA . GLY B 456 ? 0.4523 0.7326 0.5459 -0.0551 0.0241 -0.2156 456 GLY B CA 7758 C C . GLY B 456 ? 0.5002 0.7969 0.6026 -0.0731 0.0278 -0.2261 456 GLY B C 7759 O O . GLY B 456 ? 0.4717 0.8060 0.5952 -0.0732 0.0273 -0.2420 456 GLY B O 7760 N N . LEU B 457 ? 0.4765 0.7451 0.5620 -0.0892 0.0316 -0.2181 457 LEU B N 7761 C CA . LEU B 457 ? 0.4882 0.7647 0.5769 -0.1096 0.0361 -0.2271 457 LEU B CA 7762 C C . LEU B 457 ? 0.5486 0.8545 0.6514 -0.1271 0.0476 -0.2414 457 LEU B C 7763 O O . LEU B 457 ? 0.5678 0.9035 0.6873 -0.1357 0.0480 -0.2559 457 LEU B O 7764 C CB . LEU B 457 ? 0.5024 0.7369 0.5655 -0.1222 0.0381 -0.2150 457 LEU B CB 7765 C CG . LEU B 457 ? 0.5487 0.7678 0.6044 -0.1127 0.0277 -0.2095 457 LEU B CG 7766 C CD1 . LEU B 457 ? 0.5065 0.7143 0.5575 -0.0891 0.0189 -0.1980 457 LEU B CD1 7767 C CD2 . LEU B 457 ? 0.6123 0.7950 0.6447 -0.1277 0.0307 -0.2022 457 LEU B CD2 7768 N N . PRO B 458 ? 0.4986 0.8029 0.5981 -0.1312 0.0566 -0.2396 458 PRO B N 7769 C CA . PRO B 458 ? 0.5083 0.8457 0.6230 -0.1476 0.0683 -0.2549 458 PRO B CA 7770 C C . PRO B 458 ? 0.5962 0.9868 0.7427 -0.1380 0.0645 -0.2740 458 PRO B C 7771 O O . PRO B 458 ? 0.6230 1.0466 0.7850 -0.1541 0.0739 -0.2892 458 PRO B O 7772 C CB . PRO B 458 ? 0.5202 0.8442 0.6242 -0.1466 0.0757 -0.2479 458 PRO B CB 7773 C CG . PRO B 458 ? 0.5649 0.8402 0.6418 -0.1421 0.0714 -0.2282 458 PRO B CG 7774 C CD . PRO B 458 ? 0.4949 0.7674 0.5756 -0.1238 0.0576 -0.2244 458 PRO B CD 7775 N N . LEU B 459 ? 0.5513 0.9507 0.7065 -0.1124 0.0509 -0.2737 459 LEU B N 7776 C CA . LEU B 459 ? 0.5450 0.9925 0.7282 -0.0987 0.0442 -0.2913 459 LEU B CA 7777 C C . LEU B 459 ? 0.6074 1.0796 0.8044 -0.1112 0.0422 -0.3042 459 LEU B C 7778 O O . LEU B 459 ? 0.6046 1.1242 0.8278 -0.1061 0.0392 -0.3226 459 LEU B O 7779 C CB . LEU B 459 ? 0.5377 0.9797 0.7199 -0.0669 0.0299 -0.2854 459 LEU B CB 7780 C CG . LEU B 459 ? 0.5994 1.0413 0.7808 -0.0508 0.0309 -0.2835 459 LEU B CG 7781 C CD1 . LEU B 459 ? 0.6032 1.0002 0.7592 -0.0572 0.0372 -0.2652 459 LEU B CD1 7782 C CD2 . LEU B 459 ? 0.6097 1.0541 0.7931 -0.0206 0.0163 -0.2828 459 LEU B CD2 7783 N N . ASP B 460 ? 0.5739 1.0145 0.7533 -0.1271 0.0433 -0.2956 460 ASP B N 7784 C CA . ASP B 460 ? 0.5748 1.0310 0.7624 -0.1427 0.0423 -0.3066 460 ASP B CA 7785 C C . ASP B 460 ? 0.6520 1.1240 0.8446 -0.1740 0.0585 -0.3175 460 ASP B C 7786 O O . ASP B 460 ? 0.6405 1.0759 0.8098 -0.1914 0.0684 -0.3064 460 ASP B O 7787 C CB . ASP B 460 ? 0.5943 1.0050 0.7572 -0.1453 0.0368 -0.2921 460 ASP B CB 7788 C CG . ASP B 460 ? 0.7163 1.1374 0.8844 -0.1595 0.0340 -0.3027 460 ASP B CG 7789 O OD1 . ASP B 460 ? 0.7265 1.1860 0.9146 -0.1759 0.0399 -0.3207 460 ASP B OD1 7790 O OD2 . ASP B 460 ? 0.7712 1.1621 0.9229 -0.1551 0.0265 -0.2934 460 ASP B OD2 7791 N N . PRO B 461 ? 0.6570 1.1831 0.8786 -0.1817 0.0616 -0.3393 461 PRO B N 7792 C CA . PRO B 461 ? 0.6803 1.2236 0.9065 -0.2136 0.0788 -0.3503 461 PRO B CA 7793 C C . PRO B 461 ? 0.7592 1.2695 0.9638 -0.2447 0.0864 -0.3462 461 PRO B C 7794 O O . PRO B 461 ? 0.7855 1.2887 0.9803 -0.2713 0.1019 -0.3476 461 PRO B O 7795 C CB . PRO B 461 ? 0.6922 1.3049 0.9568 -0.2120 0.0776 -0.3759 461 PRO B CB 7796 C CG . PRO B 461 ? 0.7239 1.3527 1.0016 -0.1749 0.0605 -0.3764 461 PRO B CG 7797 C CD . PRO B 461 ? 0.6676 1.2431 0.9186 -0.1620 0.0498 -0.3557 461 PRO B CD 7798 N N . SER B 462 ? 0.6899 1.1768 0.8841 -0.2410 0.0757 -0.3407 462 SER B N 7799 C CA . SER B 462 ? 0.7092 1.1605 0.8804 -0.2673 0.0807 -0.3369 462 SER B CA 7800 C C . SER B 462 ? 0.7792 1.1656 0.9112 -0.2730 0.0856 -0.3150 462 SER B C 7801 O O . SER B 462 ? 0.8020 1.1549 0.9109 -0.2966 0.0916 -0.3118 462 SER B O 7802 C CB . SER B 462 ? 0.7439 1.1957 0.9185 -0.2597 0.0670 -0.3405 462 SER B CB 7803 O OG . SER B 462 ? 0.8201 1.2414 0.9814 -0.2318 0.0538 -0.3244 462 SER B OG 7804 N N . LEU B 463 ? 0.7204 1.0887 0.8440 -0.2519 0.0830 -0.3007 463 LEU B N 7805 C CA . LEU B 463 ? 0.7229 1.0335 0.8113 -0.2537 0.0857 -0.2805 463 LEU B CA 7806 C C . LEU B 463 ? 0.7892 1.0879 0.8633 -0.2748 0.1019 -0.2784 463 LEU B C 7807 O O . LEU B 463 ? 0.8135 1.0636 0.8560 -0.2797 0.1049 -0.2630 463 LEU B O 7808 C CB . LEU B 463 ? 0.7014 0.9952 0.7853 -0.2222 0.0740 -0.2658 463 LEU B CB 7809 C CG . LEU B 463 ? 0.7334 1.0272 0.8225 -0.2023 0.0586 -0.2643 463 LEU B CG 7810 C CD1 . LEU B 463 ? 0.6995 0.9760 0.7821 -0.1747 0.0493 -0.2497 463 LEU B CD1 7811 C CD2 . LEU B 463 ? 0.7918 1.0510 0.8595 -0.2156 0.0566 -0.2604 463 LEU B CD2 7812 N N . ASN B 464 ? 0.7384 1.0817 0.8348 -0.2876 0.1122 -0.2945 464 ASN B N 7813 C CA . ASN B 464 ? 0.7674 1.1082 0.8533 -0.3117 0.1295 -0.2966 464 ASN B CA 7814 C C . ASN B 464 ? 0.8062 1.1259 0.8776 -0.3000 0.1328 -0.2833 464 ASN B C 7815 O O . ASN B 464 ? 0.8559 1.1533 0.9053 -0.3201 0.1458 -0.2791 464 ASN B O 7816 C CB . ASN B 464 ? 0.8844 1.1855 0.9397 -0.3445 0.1391 -0.2935 464 ASN B CB 7817 C CG . ASN B 464 ? 1.3913 1.7136 1.4591 -0.3633 0.1393 -0.3088 464 ASN B CG 7818 O OD1 . ASN B 464 ? 1.1806 1.5592 1.2848 -0.3583 0.1361 -0.3263 464 ASN B OD1 7819 N ND2 . ASN B 464 ? 1.5453 1.8216 1.5818 -0.3851 0.1425 -0.3031 464 ASN B ND2 7820 N N . TYR B 465 ? 0.6744 1.0037 0.7581 -0.2691 0.1220 -0.2784 465 TYR B N 7821 C CA . TYR B 465 ? 0.6377 0.9538 0.7116 -0.2583 0.1251 -0.2688 465 TYR B CA 7822 C C . TYR B 465 ? 0.6634 1.0268 0.7595 -0.2658 0.1370 -0.2851 465 TYR B C 7823 O O . TYR B 465 ? 0.6354 1.0471 0.7605 -0.2694 0.1380 -0.3033 465 TYR B O 7824 C CB . TYR B 465 ? 0.6097 0.9233 0.6905 -0.2248 0.1102 -0.2603 465 TYR B CB 7825 C CG . TYR B 465 ? 0.6105 0.8796 0.6696 -0.2147 0.0992 -0.2436 465 TYR B CG 7826 C CD1 . TYR B 465 ? 0.6219 0.8950 0.6888 -0.2076 0.0886 -0.2458 465 TYR B CD1 7827 C CD2 . TYR B 465 ? 0.6147 0.8402 0.6465 -0.2108 0.0988 -0.2263 465 TYR B CD2 7828 C CE1 . TYR B 465 ? 0.6087 0.8443 0.6570 -0.1964 0.0785 -0.2314 465 TYR B CE1 7829 C CE2 . TYR B 465 ? 0.6133 0.8025 0.6274 -0.2000 0.0885 -0.2124 465 TYR B CE2 7830 C CZ . TYR B 465 ? 0.6822 0.8769 0.7048 -0.1929 0.0789 -0.2150 465 TYR B CZ 7831 O OH . TYR B 465 ? 0.6953 0.8570 0.7012 -0.1817 0.0693 -0.2022 465 TYR B OH 7832 N N . THR B 466 ? 0.6297 0.9819 0.7134 -0.2671 0.1455 -0.2797 466 THR B N 7833 C CA . THR B 466 ? 0.6179 1.0145 0.7214 -0.2723 0.1571 -0.2951 466 THR B CA 7834 C C . THR B 466 ? 0.6506 1.0865 0.7843 -0.2411 0.1465 -0.3036 466 THR B C 7835 O O . THR B 466 ? 0.6534 1.0726 0.7856 -0.2168 0.1316 -0.2938 466 THR B O 7836 C CB . THR B 466 ? 0.6635 1.0325 0.7412 -0.2820 0.1688 -0.2860 466 THR B CB 7837 O OG1 . THR B 466 ? 0.6649 1.0111 0.7341 -0.2560 0.1590 -0.2728 466 THR B OG1 7838 C CG2 . THR B 466 ? 0.6628 0.9835 0.7038 -0.3089 0.1773 -0.2749 466 THR B CG2 7839 N N . THR B 467 ? 0.5971 1.0833 0.7558 -0.2415 0.1544 -0.3217 467 THR B N 7840 C CA . THR B 467 ? 0.5716 1.0963 0.7573 -0.2122 0.1456 -0.3321 467 THR B CA 7841 C C . THR B 467 ? 0.6072 1.0969 0.7750 -0.1895 0.1391 -0.3163 467 THR B C 7842 O O . THR B 467 ? 0.5968 1.0886 0.7729 -0.1613 0.1249 -0.3142 467 THR B O 7843 C CB . THR B 467 ? 0.6737 1.2554 0.8848 -0.2214 0.1585 -0.3545 467 THR B CB 7844 O OG1 . THR B 467 ? 0.6638 1.2784 0.8918 -0.2438 0.1642 -0.3694 467 THR B OG1 7845 C CG2 . THR B 467 ? 0.6389 1.2606 0.8763 -0.1896 0.1496 -0.3668 467 THR B CG2 7846 N N . GLU B 468 ? 0.5583 1.0140 0.6996 -0.2029 0.1493 -0.3052 468 GLU B N 7847 C CA . GLU B 468 ? 0.5399 0.9604 0.6614 -0.1865 0.1449 -0.2904 468 GLU B CA 7848 C C . GLU B 468 ? 0.5732 0.9546 0.6811 -0.1713 0.1294 -0.2730 468 GLU B C 7849 O O . GLU B 468 ? 0.5483 0.9211 0.6564 -0.1470 0.1190 -0.2672 468 GLU B O 7850 C CB . GLU B 468 ? 0.5785 0.9687 0.6719 -0.2078 0.1587 -0.2820 468 GLU B CB 7851 C CG . GLU B 468 ? 0.7018 1.1251 0.8040 -0.2174 0.1739 -0.2965 468 GLU B CG 7852 C CD . GLU B 468 ? 1.0696 1.5385 1.1923 -0.2399 0.1864 -0.3158 468 GLU B CD 7853 O OE1 . GLU B 468 ? 1.1311 1.6452 1.2749 -0.2379 0.1945 -0.3330 468 GLU B OE1 7854 O OE2 . GLU B 468 ? 0.9238 1.3841 1.0415 -0.2598 0.1885 -0.3145 468 GLU B OE2 7855 N N . GLU B 469 ? 0.5454 0.9042 0.6414 -0.1859 0.1282 -0.2659 469 GLU B N 7856 C CA . GLU B 469 ? 0.5259 0.8499 0.6089 -0.1744 0.1150 -0.2507 469 GLU B CA 7857 C C . GLU B 469 ? 0.5686 0.9159 0.6736 -0.1507 0.1010 -0.2561 469 GLU B C 7858 O O . GLU B 469 ? 0.5628 0.8866 0.6594 -0.1319 0.0897 -0.2441 469 GLU B O 7859 C CB . GLU B 469 ? 0.5475 0.8457 0.6133 -0.1962 0.1180 -0.2450 469 GLU B CB 7860 C CG . GLU B 469 ? 0.6065 0.8637 0.6400 -0.2130 0.1270 -0.2330 469 GLU B CG 7861 C CD . GLU B 469 ? 0.7587 0.9839 0.7701 -0.2335 0.1296 -0.2268 469 GLU B CD 7862 O OE1 . GLU B 469 ? 0.6769 0.9220 0.6994 -0.2486 0.1334 -0.2380 469 GLU B OE1 7863 O OE2 . GLU B 469 ? 0.6369 0.8168 0.6191 -0.2341 0.1273 -0.2112 469 GLU B OE2 7864 N N . ARG B 470 ? 0.5202 0.9141 0.6525 -0.1516 0.1017 -0.2744 470 ARG B N 7865 C CA . ARG B 470 ? 0.5063 0.9262 0.6596 -0.1287 0.0883 -0.2819 470 ARG B CA 7866 C C . ARG B 470 ? 0.5246 0.9474 0.6811 -0.1017 0.0818 -0.2808 470 ARG B C 7867 O O . ARG B 470 ? 0.4935 0.9013 0.6462 -0.0806 0.0689 -0.2728 470 ARG B O 7868 C CB . ARG B 470 ? 0.5272 0.9998 0.7092 -0.1378 0.0916 -0.3037 470 ARG B CB 7869 C CG . ARG B 470 ? 0.7172 1.2157 0.9191 -0.1176 0.0769 -0.3120 470 ARG B CG 7870 C CD . ARG B 470 ? 0.9080 1.4480 1.1333 -0.0938 0.0715 -0.3267 470 ARG B CD 7871 N NE . ARG B 470 ? 1.0705 1.6575 1.3172 -0.1068 0.0838 -0.3464 470 ARG B NE 7872 C CZ . ARG B 470 ? 1.2793 1.8953 1.5399 -0.0914 0.0852 -0.3576 470 ARG B CZ 7873 N NH1 . ARG B 470 ? 1.1113 1.7106 1.3647 -0.0625 0.0745 -0.3505 470 ARG B NH1 7874 N NH2 . ARG B 470 ? 1.1283 1.7896 1.4091 -0.1052 0.0975 -0.3763 470 ARG B NH2 7875 N N . ILE B 471 ? 0.4933 0.9321 0.6540 -0.1036 0.0914 -0.2883 471 ILE B N 7876 C CA . ILE B 471 ? 0.4858 0.9241 0.6463 -0.0804 0.0872 -0.2881 471 ILE B CA 7877 C C . ILE B 471 ? 0.5222 0.9078 0.6546 -0.0738 0.0823 -0.2667 471 ILE B C 7878 O O . ILE B 471 ? 0.5142 0.8883 0.6433 -0.0509 0.0718 -0.2617 471 ILE B O 7879 C CB . ILE B 471 ? 0.5216 0.9884 0.6913 -0.0873 0.1004 -0.3017 471 ILE B CB 7880 C CG1 . ILE B 471 ? 0.5212 1.0480 0.7234 -0.0877 0.1029 -0.3254 471 ILE B CG1 7881 C CG2 . ILE B 471 ? 0.5109 0.9641 0.6719 -0.0665 0.0974 -0.2982 471 ILE B CG2 7882 C CD1 . ILE B 471 ? 0.6025 1.1602 0.8132 -0.1074 0.1211 -0.3395 471 ILE B CD1 7883 N N . PHE B 472 ? 0.4884 0.8423 0.6000 -0.0939 0.0897 -0.2546 472 PHE B N 7884 C CA . PHE B 472 ? 0.4901 0.7970 0.5759 -0.0903 0.0855 -0.2352 472 PHE B CA 7885 C C . PHE B 472 ? 0.5206 0.8100 0.6031 -0.0769 0.0719 -0.2254 472 PHE B C 7886 O O . PHE B 472 ? 0.5115 0.7800 0.5845 -0.0608 0.0641 -0.2158 472 PHE B O 7887 C CB . PHE B 472 ? 0.5193 0.7995 0.5840 -0.1143 0.0957 -0.2265 472 PHE B CB 7888 C CG . PHE B 472 ? 0.5244 0.7590 0.5632 -0.1123 0.0913 -0.2077 472 PHE B CG 7889 C CD1 . PHE B 472 ? 0.5408 0.7607 0.5713 -0.0984 0.0878 -0.2015 472 PHE B CD1 7890 C CD2 . PHE B 472 ? 0.5454 0.7521 0.5673 -0.1249 0.0909 -0.1972 472 PHE B CD2 7891 C CE1 . PHE B 472 ? 0.5506 0.7325 0.5588 -0.0977 0.0839 -0.1855 472 PHE B CE1 7892 C CE2 . PHE B 472 ? 0.5773 0.7459 0.5765 -0.1223 0.0866 -0.1814 472 PHE B CE2 7893 C CZ . PHE B 472 ? 0.5434 0.7018 0.5371 -0.1092 0.0833 -0.1759 472 PHE B CZ 7894 N N . ALA B 473 ? 0.4724 0.7717 0.5629 -0.0837 0.0692 -0.2287 473 ALA B N 7895 C CA . ALA B 473 ? 0.4596 0.7457 0.5476 -0.0711 0.0567 -0.2209 473 ALA B CA 7896 C C . ALA B 473 ? 0.4899 0.7900 0.5884 -0.0452 0.0462 -0.2251 473 ALA B C 7897 O O . ALA B 473 ? 0.4778 0.7534 0.5645 -0.0317 0.0375 -0.2135 473 ALA B O 7898 C CB . ALA B 473 ? 0.4664 0.7654 0.5627 -0.0830 0.0562 -0.2270 473 ALA B CB 7899 N N . GLN B 474 ? 0.4455 0.7842 0.5649 -0.0381 0.0471 -0.2419 474 GLN B N 7900 C CA . GLN B 474 ? 0.4427 0.7946 0.5704 -0.0117 0.0366 -0.2476 474 GLN B CA 7901 C C . GLN B 474 ? 0.4903 0.8120 0.6003 0.0013 0.0344 -0.2368 474 GLN B C 7902 O O . GLN B 474 ? 0.4775 0.7834 0.5796 0.0202 0.0238 -0.2306 474 GLN B O 7903 C CB . GLN B 474 ? 0.4553 0.8561 0.6086 -0.0069 0.0388 -0.2690 474 GLN B CB 7904 C CG . GLN B 474 ? 0.6292 1.0625 0.8017 -0.0147 0.0370 -0.2809 474 GLN B CG 7905 C CD . GLN B 474 ? 0.9126 1.3994 1.1129 -0.0102 0.0390 -0.3036 474 GLN B CD 7906 O OE1 . GLN B 474 ? 0.8305 1.3395 1.0403 -0.0262 0.0518 -0.3135 474 GLN B OE1 7907 N NE2 . GLN B 474 ? 0.9019 1.4114 1.1152 0.0119 0.0262 -0.3128 474 GLN B NE2 7908 N N . ARG B 475 ? 0.4466 0.7579 0.5482 -0.0105 0.0448 -0.2343 475 ARG B N 7909 C CA . ARG B 475 ? 0.4574 0.7390 0.5411 -0.0022 0.0440 -0.2244 475 ARG B CA 7910 C C . ARG B 475 ? 0.4802 0.7213 0.5433 -0.0020 0.0379 -0.2054 475 ARG B C 7911 O O . ARG B 475 ? 0.4668 0.6878 0.5188 0.0130 0.0308 -0.1985 475 ARG B O 7912 C CB . ARG B 475 ? 0.4822 0.7636 0.5612 -0.0166 0.0567 -0.2267 475 ARG B CB 7913 C CG . ARG B 475 ? 0.6768 0.9333 0.7399 -0.0063 0.0557 -0.2204 475 ARG B CG 7914 C CD . ARG B 475 ? 0.6944 0.9617 0.7577 -0.0131 0.0668 -0.2288 475 ARG B CD 7915 N NE . ARG B 475 ? 0.5509 0.8197 0.6110 -0.0381 0.0787 -0.2278 475 ARG B NE 7916 C CZ . ARG B 475 ? 0.5846 0.8223 0.6239 -0.0512 0.0830 -0.2152 475 ARG B CZ 7917 N NH1 . ARG B 475 ? 0.4576 0.6631 0.4797 -0.0428 0.0768 -0.2030 475 ARG B NH1 7918 N NH2 . ARG B 475 ? 0.4865 0.7244 0.5206 -0.0730 0.0934 -0.2150 475 ARG B NH2 7919 N N . LEU B 476 ? 0.4258 0.6560 0.4835 -0.0182 0.0406 -0.1978 476 LEU B N 7920 C CA . LEU B 476 ? 0.4430 0.6399 0.4834 -0.0188 0.0355 -0.1815 476 LEU B CA 7921 C C . LEU B 476 ? 0.5002 0.6953 0.5419 -0.0029 0.0242 -0.1787 476 LEU B C 7922 O O . LEU B 476 ? 0.4910 0.6609 0.5185 0.0047 0.0188 -0.1672 476 LEU B O 7923 C CB . LEU B 476 ? 0.4515 0.6382 0.4854 -0.0383 0.0408 -0.1760 476 LEU B CB 7924 C CG . LEU B 476 ? 0.5410 0.7213 0.5667 -0.0550 0.0517 -0.1759 476 LEU B CG 7925 C CD1 . LEU B 476 ? 0.5608 0.7358 0.5816 -0.0733 0.0567 -0.1745 476 LEU B CD1 7926 C CD2 . LEU B 476 ? 0.5666 0.7178 0.5739 -0.0534 0.0514 -0.1641 476 LEU B CD2 7927 N N . MET B 477 ? 0.4541 0.6767 0.5123 0.0013 0.0207 -0.1897 477 MET B N 7928 C CA . MET B 477 ? 0.4501 0.6746 0.5099 0.0171 0.0096 -0.1892 477 MET B CA 7929 C C . MET B 477 ? 0.4719 0.6870 0.5245 0.0374 0.0031 -0.1880 477 MET B C 7930 O O . MET B 477 ? 0.4741 0.6690 0.5141 0.0479 -0.0044 -0.1789 477 MET B O 7931 C CB . MET B 477 ? 0.4865 0.7474 0.5672 0.0180 0.0074 -0.2044 477 MET B CB 7932 C CG . MET B 477 ? 0.5453 0.8112 0.6301 -0.0015 0.0122 -0.2053 477 MET B CG 7933 S SD . MET B 477 ? 0.6067 0.9201 0.7182 -0.0036 0.0110 -0.2259 477 MET B SD 7934 C CE . MET B 477 ? 0.5496 0.8594 0.6584 0.0146 -0.0034 -0.2230 477 MET B CE 7935 N N . LYS B 478 ? 0.4222 0.6502 0.4810 0.0423 0.0066 -0.1973 478 LYS B N 7936 C CA . LYS B 478 ? 0.4341 0.6505 0.4840 0.0614 0.0012 -0.1975 478 LYS B CA 7937 C C . LYS B 478 ? 0.4958 0.6723 0.5226 0.0586 0.0021 -0.1819 478 LYS B C 7938 O O . LYS B 478 ? 0.5124 0.6674 0.5249 0.0724 -0.0054 -0.1756 478 LYS B O 7939 C CB . LYS B 478 ? 0.4675 0.7087 0.5299 0.0662 0.0058 -0.2125 478 LYS B CB 7940 C CG . LYS B 478 ? 0.7221 0.9983 0.8026 0.0831 -0.0010 -0.2290 478 LYS B CG 7941 C CD . LYS B 478 ? 0.8890 1.1483 0.9566 0.1095 -0.0133 -0.2276 478 LYS B CD 7942 C CE . LYS B 478 ? 1.0184 1.3135 1.1033 0.1293 -0.0212 -0.2453 478 LYS B CE 7943 N NZ . LYS B 478 ? 1.0096 1.3286 1.1087 0.1277 -0.0264 -0.2500 478 LYS B NZ 7944 N N . TYR B 479 ? 0.4351 0.6009 0.4568 0.0407 0.0110 -0.1758 479 TYR B N 7945 C CA . TYR B 479 ? 0.4442 0.5759 0.4458 0.0371 0.0116 -0.1621 479 TYR B CA 7946 C C . TYR B 479 ? 0.4820 0.5947 0.4731 0.0390 0.0052 -0.1501 479 TYR B C 7947 O O . TYR B 479 ? 0.4787 0.5678 0.4544 0.0469 0.0007 -0.1424 479 TYR B O 7948 C CB . TYR B 479 ? 0.4510 0.5763 0.4489 0.0178 0.0209 -0.1578 479 TYR B CB 7949 C CG . TYR B 479 ? 0.4806 0.6192 0.4838 0.0128 0.0291 -0.1673 479 TYR B CG 7950 C CD1 . TYR B 479 ? 0.5206 0.6573 0.5208 0.0251 0.0282 -0.1731 479 TYR B CD1 7951 C CD2 . TYR B 479 ? 0.4819 0.6297 0.4890 -0.0049 0.0382 -0.1695 479 TYR B CD2 7952 C CE1 . TYR B 479 ? 0.5205 0.6705 0.5252 0.0209 0.0363 -0.1826 479 TYR B CE1 7953 C CE2 . TYR B 479 ? 0.4879 0.6475 0.4980 -0.0107 0.0468 -0.1781 479 TYR B CE2 7954 C CZ . TYR B 479 ? 0.5968 0.7593 0.6068 0.0024 0.0460 -0.1850 479 TYR B CZ 7955 O OH . TYR B 479 ? 0.6018 0.7778 0.6149 -0.0031 0.0551 -0.1944 479 TYR B OH 7956 N N . TRP B 480 ? 0.4272 0.5500 0.4257 0.0311 0.0053 -0.1491 480 TRP B N 7957 C CA . TRP B 480 ? 0.4261 0.5350 0.4163 0.0317 0.0002 -0.1389 480 TRP B CA 7958 C C . TRP B 480 ? 0.4719 0.5775 0.4574 0.0495 -0.0090 -0.1391 480 TRP B C 7959 O O . TRP B 480 ? 0.4619 0.5447 0.4317 0.0528 -0.0123 -0.1287 480 TRP B O 7960 C CB . TRP B 480 ? 0.4003 0.5212 0.3992 0.0200 0.0024 -0.1400 480 TRP B CB 7961 C CG . TRP B 480 ? 0.4043 0.5090 0.3943 0.0055 0.0072 -0.1305 480 TRP B CG 7962 C CD1 . TRP B 480 ? 0.4336 0.5270 0.4167 0.0021 0.0049 -0.1220 480 TRP B CD1 7963 C CD2 . TRP B 480 ? 0.4014 0.4996 0.3873 -0.0061 0.0146 -0.1294 480 TRP B CD2 7964 N NE1 . TRP B 480 ? 0.4240 0.5049 0.3995 -0.0097 0.0096 -0.1160 480 TRP B NE1 7965 C CE2 . TRP B 480 ? 0.4371 0.5196 0.4133 -0.0152 0.0154 -0.1200 480 TRP B CE2 7966 C CE3 . TRP B 480 ? 0.4168 0.5216 0.4056 -0.0091 0.0203 -0.1360 480 TRP B CE3 7967 C CZ2 . TRP B 480 ? 0.4302 0.5019 0.3983 -0.0265 0.0209 -0.1165 480 TRP B CZ2 7968 C CZ3 . TRP B 480 ? 0.4406 0.5338 0.4207 -0.0213 0.0266 -0.1321 480 TRP B CZ3 7969 C CH2 . TRP B 480 ? 0.4471 0.5233 0.4165 -0.0297 0.0265 -0.1223 480 TRP B CH2 7970 N N . THR B 481 ? 0.4354 0.5637 0.4332 0.0609 -0.0130 -0.1513 481 THR B N 7971 C CA . THR B 481 ? 0.4570 0.5820 0.4485 0.0796 -0.0230 -0.1523 481 THR B CA 7972 C C . THR B 481 ? 0.5447 0.6478 0.5203 0.0924 -0.0259 -0.1502 481 THR B C 7973 O O . THR B 481 ? 0.5586 0.6409 0.5172 0.1033 -0.0327 -0.1437 481 THR B O 7974 C CB . THR B 481 ? 0.5389 0.6969 0.5489 0.0881 -0.0278 -0.1664 481 THR B CB 7975 O OG1 . THR B 481 ? 0.5412 0.7233 0.5668 0.0885 -0.0237 -0.1796 481 THR B OG1 7976 C CG2 . THR B 481 ? 0.4560 0.6284 0.4765 0.0756 -0.0263 -0.1669 481 THR B CG2 7977 N N . ASN B 482 ? 0.5153 0.6200 0.4935 0.0904 -0.0206 -0.1551 482 ASN B N 7978 C CA . ASN B 482 ? 0.5306 0.6099 0.4908 0.1015 -0.0231 -0.1528 482 ASN B CA 7979 C C . ASN B 482 ? 0.5546 0.5995 0.4941 0.0919 -0.0214 -0.1370 482 ASN B C 7980 O O . ASN B 482 ? 0.5697 0.5873 0.4886 0.1013 -0.0266 -0.1310 482 ASN B O 7981 C CB . ASN B 482 ? 0.5588 0.6471 0.5258 0.1001 -0.0171 -0.1617 482 ASN B CB 7982 C CG . ASN B 482 ? 0.7196 0.8408 0.7046 0.1133 -0.0193 -0.1789 482 ASN B CG 7983 O OD1 . ASN B 482 ? 0.6058 0.7362 0.5931 0.1303 -0.0282 -0.1847 482 ASN B OD1 7984 N ND2 . ASN B 482 ? 0.7106 0.8521 0.7091 0.1055 -0.0110 -0.1880 482 ASN B ND2 7985 N N . PHE B 483 ? 0.4886 0.5350 0.4325 0.0732 -0.0145 -0.1307 483 PHE B N 7986 C CA . PHE B 483 ? 0.4935 0.5142 0.4216 0.0632 -0.0129 -0.1171 483 PHE B CA 7987 C C . PHE B 483 ? 0.5636 0.5739 0.4814 0.0691 -0.0189 -0.1098 483 PHE B C 7988 O O . PHE B 483 ? 0.5769 0.5606 0.4750 0.0705 -0.0206 -0.1015 483 PHE B O 7989 C CB . PHE B 483 ? 0.4841 0.5116 0.4198 0.0449 -0.0058 -0.1132 483 PHE B CB 7990 C CG . PHE B 483 ? 0.4996 0.5055 0.4210 0.0360 -0.0049 -0.1008 483 PHE B CG 7991 C CD1 . PHE B 483 ? 0.5248 0.5096 0.4325 0.0326 -0.0032 -0.0966 483 PHE B CD1 7992 C CD2 . PHE B 483 ? 0.4935 0.5011 0.4152 0.0315 -0.0060 -0.0943 483 PHE B CD2 7993 C CE1 . PHE B 483 ? 0.5281 0.4964 0.4241 0.0238 -0.0024 -0.0864 483 PHE B CE1 7994 C CE2 . PHE B 483 ? 0.5140 0.5057 0.4241 0.0239 -0.0050 -0.0842 483 PHE B CE2 7995 C CZ . PHE B 483 ? 0.5011 0.4745 0.3992 0.0195 -0.0031 -0.0805 483 PHE B CZ 7996 N N . ALA B 484 ? 0.5066 0.5369 0.4364 0.0715 -0.0216 -0.1134 484 ALA B N 7997 C CA . ALA B 484 ? 0.5147 0.5372 0.4347 0.0776 -0.0272 -0.1075 484 ALA B CA 7998 C C . ALA B 484 ? 0.5905 0.5936 0.4921 0.0949 -0.0346 -0.1073 484 ALA B C 7999 O O . ALA B 484 ? 0.5785 0.5576 0.4598 0.0959 -0.0366 -0.0976 484 ALA B O 8000 C CB . ALA B 484 ? 0.5072 0.5562 0.4439 0.0789 -0.0297 -0.1142 484 ALA B CB 8001 N N . ARG B 485 ? 0.5534 0.5658 0.4605 0.1083 -0.0383 -0.1180 485 ARG B N 8002 C CA . ARG B 485 ? 0.5882 0.5819 0.4770 0.1278 -0.0466 -0.1195 485 ARG B CA 8003 C C . ARG B 485 ? 0.6785 0.6346 0.5424 0.1270 -0.0452 -0.1117 485 ARG B C 8004 O O . ARG B 485 ? 0.7006 0.6275 0.5391 0.1368 -0.0508 -0.1059 485 ARG B O 8005 C CB . ARG B 485 ? 0.6035 0.6224 0.5079 0.1437 -0.0513 -0.1354 485 ARG B CB 8006 C CG . ARG B 485 ? 0.8122 0.8661 0.7370 0.1498 -0.0561 -0.1452 485 ARG B CG 8007 C CD . ARG B 485 ? 0.8982 0.9789 0.8381 0.1668 -0.0612 -0.1621 485 ARG B CD 8008 N NE . ARG B 485 ? 0.8841 0.9928 0.8479 0.1552 -0.0523 -0.1715 485 ARG B NE 8009 C CZ . ARG B 485 ? 0.9801 1.1271 0.9704 0.1469 -0.0491 -0.1816 485 ARG B CZ 8010 N NH1 . ARG B 485 ? 0.6968 0.8609 0.6951 0.1500 -0.0548 -0.1847 485 ARG B NH1 8011 N NH2 . ARG B 485 ? 0.6994 0.8670 0.7069 0.1348 -0.0398 -0.1889 485 ARG B NH2 8012 N N . THR B 486 ? 0.6353 0.5906 0.5044 0.1160 -0.0380 -0.1125 486 THR B N 8013 C CA . THR B 486 ? 0.6604 0.5820 0.5072 0.1163 -0.0372 -0.1081 486 THR B CA 8014 C C . THR B 486 ? 0.7157 0.6229 0.5567 0.0955 -0.0292 -0.0986 486 THR B C 8015 O O . THR B 486 ? 0.7415 0.6183 0.5617 0.0939 -0.0287 -0.0942 486 THR B O 8016 C CB . THR B 486 ? 0.7294 0.6599 0.5834 0.1275 -0.0379 -0.1206 486 THR B CB 8017 O OG1 . THR B 486 ? 0.6323 0.5897 0.5093 0.1138 -0.0297 -0.1256 486 THR B OG1 8018 C CG2 . THR B 486 ? 0.6987 0.6467 0.5596 0.1505 -0.0467 -0.1324 486 THR B CG2 8019 N N . GLY B 487 ? 0.6246 0.5533 0.4833 0.0805 -0.0235 -0.0965 487 GLY B N 8020 C CA . GLY B 487 ? 0.6012 0.5224 0.4580 0.0621 -0.0168 -0.0895 487 GLY B CA 8021 C C . GLY B 487 ? 0.6099 0.5365 0.4740 0.0581 -0.0124 -0.0960 487 GLY B C 8022 O O . GLY B 487 ? 0.5811 0.4975 0.4400 0.0452 -0.0079 -0.0914 487 GLY B O 8023 N N . ASP B 488 ? 0.5619 0.5072 0.4388 0.0693 -0.0136 -0.1076 488 ASP B N 8024 C CA . ASP B 488 ? 0.5302 0.4841 0.4144 0.0677 -0.0091 -0.1159 488 ASP B CA 8025 C C . ASP B 488 ? 0.5534 0.5444 0.4625 0.0695 -0.0070 -0.1267 488 ASP B C 8026 O O . ASP B 488 ? 0.5508 0.5550 0.4665 0.0839 -0.0123 -0.1340 488 ASP B O 8027 C CB . ASP B 488 ? 0.5644 0.4966 0.4322 0.0825 -0.0131 -0.1206 488 ASP B CB 8028 C CG . ASP B 488 ? 0.6345 0.5687 0.5044 0.0810 -0.0083 -0.1284 488 ASP B CG 8029 O OD1 . ASP B 488 ? 0.6088 0.5689 0.4968 0.0723 -0.0022 -0.1335 488 ASP B OD1 8030 O OD2 . ASP B 488 ? 0.7659 0.6737 0.6170 0.0885 -0.0106 -0.1293 488 ASP B OD2 8031 N N . PRO B 489 ? 0.5004 0.5083 0.4225 0.0551 0.0004 -0.1285 489 PRO B N 8032 C CA . PRO B 489 ? 0.5003 0.5421 0.4443 0.0543 0.0033 -0.1389 489 PRO B CA 8033 C C . PRO B 489 ? 0.5939 0.6525 0.5463 0.0651 0.0043 -0.1531 489 PRO B C 8034 O O . PRO B 489 ? 0.6002 0.6898 0.5716 0.0661 0.0061 -0.1636 489 PRO B O 8035 C CB . PRO B 489 ? 0.4968 0.5431 0.4451 0.0348 0.0109 -0.1348 489 PRO B CB 8036 C CG . PRO B 489 ? 0.5455 0.5662 0.4772 0.0292 0.0129 -0.1279 489 PRO B CG 8037 C CD . PRO B 489 ? 0.5042 0.5008 0.4203 0.0385 0.0061 -0.1212 489 PRO B CD 8038 N N . ASN B 490 ? 0.5900 0.6289 0.5285 0.0728 0.0033 -0.1541 490 ASN B N 8039 C CA . ASN B 490 ? 0.6134 0.6659 0.5577 0.0848 0.0042 -0.1679 490 ASN B CA 8040 C C . ASN B 490 ? 0.7381 0.8057 0.6895 0.1056 -0.0039 -0.1775 490 ASN B C 8041 O O . ASN B 490 ? 0.7383 0.7884 0.6781 0.1158 -0.0123 -0.1713 490 ASN B O 8042 C CB . ASN B 490 ? 0.5470 0.5707 0.4717 0.0876 0.0049 -0.1663 490 ASN B CB 8043 C CG . ASN B 490 ? 0.6517 0.6690 0.5731 0.0681 0.0133 -0.1610 490 ASN B CG 8044 O OD1 . ASN B 490 ? 0.6125 0.6502 0.5448 0.0610 0.0209 -0.1687 490 ASN B OD1 8045 N ND2 . ASN B 490 ? 0.5692 0.5592 0.4751 0.0583 0.0122 -0.1479 490 ASN B ND2 8046 N N . ASP B 491 ? 0.7664 0.8683 0.7371 0.1116 -0.0011 -0.1931 491 ASP B N 8047 C CA . ASP B 491 ? 0.8083 0.9333 0.7902 0.1323 -0.0089 -0.2055 491 ASP B CA 8048 C C . ASP B 491 ? 0.9597 1.0667 0.9264 0.1550 -0.0154 -0.2117 491 ASP B C 8049 O O . ASP B 491 ? 0.9412 1.0491 0.9070 0.1545 -0.0096 -0.2182 491 ASP B O 8050 C CB . ASP B 491 ? 0.8170 0.9919 0.8288 0.1264 -0.0023 -0.2210 491 ASP B CB 8051 C CG . ASP B 491 ? 0.9935 1.2020 1.0233 0.1432 -0.0101 -0.2343 491 ASP B CG 8052 O OD1 . ASP B 491 ? 1.0262 1.2231 1.0488 0.1527 -0.0200 -0.2283 491 ASP B OD1 8053 O OD2 . ASP B 491 ? 1.0771 1.3260 1.1290 0.1451 -0.0059 -0.2510 491 ASP B OD2 8054 N N . PRO B 492 ? 1.0173 1.1070 0.9703 0.1757 -0.0275 -0.2102 492 PRO B N 8055 C CA . PRO B 492 ? 1.0741 1.1434 1.0096 0.1999 -0.0350 -0.2168 492 PRO B CA 8056 C C . PRO B 492 ? 1.1800 1.2908 1.1370 0.2174 -0.0358 -0.2386 492 PRO B C 8057 O O . PRO B 492 ? 1.2106 1.3142 1.1578 0.2438 -0.0453 -0.2474 492 PRO B O 8058 C CB . PRO B 492 ? 1.1171 1.1552 1.0301 0.2146 -0.0473 -0.2078 492 PRO B CB 8059 C CG . PRO B 492 ? 1.1491 1.1900 1.0675 0.1955 -0.0448 -0.1952 492 PRO B CG 8060 C CD . PRO B 492 ? 1.0529 1.1389 1.0034 0.1788 -0.0353 -0.2029 492 PRO B CD 8061 N N . ARG B 493 ? 1.1362 1.2904 1.1218 0.2016 -0.0251 -0.2475 493 ARG B N 8062 C CA . ARG B 493 ? 1.1378 1.3399 1.1492 0.2085 -0.0208 -0.2683 493 ARG B CA 8063 C C . ARG B 493 ? 1.1906 1.4013 1.2090 0.1832 -0.0050 -0.2677 493 ARG B C 8064 O O . ARG B 493 ? 1.2012 1.3736 1.1979 0.1741 -0.0017 -0.2556 493 ARG B O 8065 C CB . ARG B 493 ? 1.1376 1.3872 1.1774 0.2105 -0.0238 -0.2789 493 ARG B CB 8066 N N . ASP B 494 ? 1.1300 1.3894 1.1769 0.1715 0.0045 -0.2805 494 ASP B N 8067 C CA . ASP B 494 ? 1.1164 1.3898 1.1712 0.1472 0.0200 -0.2820 494 ASP B CA 8068 C C . ASP B 494 ? 1.1750 1.4099 1.2055 0.1418 0.0251 -0.2736 494 ASP B C 8069 O O . ASP B 494 ? 1.1705 1.3747 1.1859 0.1238 0.0283 -0.2571 494 ASP B O 8070 C CB . ASP B 494 ? 1.1150 1.3959 1.1787 0.1206 0.0265 -0.2726 494 ASP B CB 8071 C CG . ASP B 494 ? 1.2389 1.5364 1.3105 0.0947 0.0422 -0.2747 494 ASP B CG 8072 O OD1 . ASP B 494 ? 1.2468 1.5686 1.3272 0.0964 0.0499 -0.2890 494 ASP B OD1 8073 O OD2 . ASP B 494 ? 1.3055 1.5922 1.3736 0.0732 0.0469 -0.2628 494 ASP B OD2 8074 N N . SER B 495 ? 1.1351 1.3728 1.1620 0.1585 0.0251 -0.2859 495 SER B N 8075 C CA . SER B 495 ? 1.1402 1.3444 1.1447 0.1552 0.0295 -0.2809 495 SER B CA 8076 C C . SER B 495 ? 1.1673 1.3929 1.1809 0.1327 0.0454 -0.2854 495 SER B C 8077 O O . SER B 495 ? 1.1702 1.3677 1.1650 0.1235 0.0503 -0.2785 495 SER B O 8078 C CB . SER B 495 ? 1.1999 1.3932 1.1931 0.1839 0.0219 -0.2921 495 SER B CB 8079 O OG . SER B 495 ? 1.3085 1.4714 1.2854 0.2036 0.0072 -0.2856 495 SER B OG 8080 N N . LYS B 496 ? 1.0981 1.3726 1.1389 0.1233 0.0533 -0.2970 496 LYS B N 8081 C CA . LYS B 496 ? 1.0780 1.3779 1.1286 0.1005 0.0694 -0.3027 496 LYS B CA 8082 C C . LYS B 496 ? 1.0792 1.3509 1.1154 0.0733 0.0753 -0.2841 496 LYS B C 8083 O O . LYS B 496 ? 1.0791 1.3420 1.1045 0.0593 0.0853 -0.2823 496 LYS B O 8084 C CB . LYS B 496 ? 1.1043 1.4621 1.1871 0.0969 0.0749 -0.3195 496 LYS B CB 8085 C CG . LYS B 496 ? 1.3239 1.7156 1.4179 0.0799 0.0920 -0.3322 496 LYS B CG 8086 C CD . LYS B 496 ? 1.4788 1.9322 1.6049 0.0884 0.0952 -0.3561 496 LYS B CD 8087 C CE . LYS B 496 ? 1.5822 2.0676 1.7304 0.0728 0.0973 -0.3584 496 LYS B CE 8088 N NZ . LYS B 496 ? 1.6642 2.2128 1.8448 0.0814 0.0999 -0.3833 496 LYS B NZ 8089 N N . SER B 497 ? 0.9841 1.2418 1.0192 0.0671 0.0689 -0.2708 497 SER B N 8090 C CA . SER B 497 ? 0.9521 1.1826 0.9733 0.0446 0.0725 -0.2533 497 SER B CA 8091 C C . SER B 497 ? 0.9322 1.1149 0.9266 0.0488 0.0664 -0.2394 497 SER B C 8092 O O . SER B 497 ? 0.9246 1.0908 0.9119 0.0684 0.0560 -0.2388 497 SER B O 8093 C CB . SER B 497 ? 1.0144 1.2487 1.0443 0.0388 0.0673 -0.2458 497 SER B CB 8094 O OG . SER B 497 ? 1.2020 1.4179 1.2262 0.0575 0.0538 -0.2402 497 SER B OG 8095 N N . PRO B 498 ? 0.8361 0.9951 0.8140 0.0310 0.0722 -0.2287 498 PRO B N 8096 C CA . PRO B 498 ? 0.8192 0.9361 0.7733 0.0346 0.0660 -0.2171 498 PRO B CA 8097 C C . PRO B 498 ? 0.7694 0.8648 0.7184 0.0385 0.0553 -0.2040 498 PRO B C 8098 O O . PRO B 498 ? 0.7513 0.8597 0.7117 0.0317 0.0546 -0.2003 498 PRO B O 8099 C CB . PRO B 498 ? 0.8440 0.9478 0.7850 0.0138 0.0745 -0.2099 498 PRO B CB 8100 C CG . PRO B 498 ? 0.9008 1.0380 0.8559 0.0013 0.0862 -0.2194 498 PRO B CG 8101 C CD . PRO B 498 ? 0.8348 1.0023 0.8128 0.0074 0.0837 -0.2265 498 PRO B CD 8102 N N . GLN B 499 ? 0.6774 0.7397 0.6084 0.0490 0.0472 -0.1976 499 GLN B N 8103 C CA A GLN B 499 ? 0.6522 0.6919 0.5754 0.0518 0.0378 -0.1849 499 GLN B CA 8104 C CA B GLN B 499 ? 0.6571 0.6981 0.5810 0.0516 0.0380 -0.1851 499 GLN B CA 8105 C C . GLN B 499 ? 0.6423 0.6693 0.5595 0.0319 0.0401 -0.1710 499 GLN B C 8106 O O . GLN B 499 ? 0.6382 0.6577 0.5471 0.0197 0.0458 -0.1687 499 GLN B O 8107 C CB A GLN B 499 ? 0.6874 0.6921 0.5894 0.0656 0.0299 -0.1820 499 GLN B CB 8108 C CB B GLN B 499 ? 0.6982 0.7064 0.6026 0.0670 0.0295 -0.1828 499 GLN B CB 8109 C CG A GLN B 499 ? 0.5633 0.5696 0.4665 0.0894 0.0214 -0.1895 499 GLN B CG 8110 C CG B GLN B 499 ? 0.7136 0.7297 0.6205 0.0908 0.0248 -0.1963 499 GLN B CG 8111 C CD A GLN B 499 ? 0.7046 0.6908 0.5988 0.0960 0.0119 -0.1794 499 GLN B CD 8112 C CD B GLN B 499 ? 0.7269 0.7757 0.6548 0.1021 0.0214 -0.2045 499 GLN B CD 8113 O OE1 A GLN B 499 ? 0.6988 0.6982 0.6010 0.1115 0.0058 -0.1849 499 GLN B OE1 8114 O OE1 B GLN B 499 ? 0.6686 0.7547 0.6167 0.1029 0.0271 -0.2176 499 GLN B OE1 8115 N NE2 A GLN B 499 ? 0.4288 0.3824 0.3048 0.0857 0.0100 -0.1653 499 GLN B NE2 8116 N NE2 B GLN B 499 ? 0.5091 0.5449 0.4317 0.1119 0.0120 -0.1982 499 GLN B NE2 8117 N N . TRP B 500 ? 0.5632 0.5879 0.4835 0.0300 0.0352 -0.1623 500 TRP B N 8118 C CA . TRP B 500 ? 0.5285 0.5424 0.4438 0.0145 0.0356 -0.1496 500 TRP B CA 8119 C C . TRP B 500 ? 0.5688 0.5492 0.4646 0.0155 0.0299 -0.1398 500 TRP B C 8120 O O . TRP B 500 ? 0.5602 0.5287 0.4511 0.0254 0.0232 -0.1366 500 TRP B O 8121 C CB . TRP B 500 ? 0.4856 0.5144 0.4139 0.0144 0.0328 -0.1468 500 TRP B CB 8122 C CG . TRP B 500 ? 0.4764 0.4984 0.4020 0.0006 0.0329 -0.1355 500 TRP B CG 8123 C CD1 . TRP B 500 ? 0.5103 0.5118 0.4223 -0.0085 0.0325 -0.1259 500 TRP B CD1 8124 C CD2 . TRP B 500 ? 0.4695 0.5060 0.4062 -0.0041 0.0326 -0.1335 500 TRP B CD2 8125 N NE1 . TRP B 500 ? 0.4812 0.4845 0.3956 -0.0172 0.0318 -0.1183 500 TRP B NE1 8126 C CE2 . TRP B 500 ? 0.4942 0.5167 0.4225 -0.0145 0.0318 -0.1224 500 TRP B CE2 8127 C CE3 . TRP B 500 ? 0.4796 0.5404 0.4325 -0.0003 0.0327 -0.1410 500 TRP B CE3 8128 C CZ2 . TRP B 500 ? 0.4749 0.5045 0.4091 -0.0204 0.0312 -0.1184 500 TRP B CZ2 8129 C CZ3 . TRP B 500 ? 0.4842 0.5509 0.4426 -0.0075 0.0320 -0.1366 500 TRP B CZ3 8130 C CH2 . TRP B 500 ? 0.4881 0.5381 0.4364 -0.0170 0.0313 -0.1253 500 TRP B CH2 8131 N N . PRO B 501 ? 0.5254 0.4900 0.4087 0.0053 0.0326 -0.1360 501 PRO B N 8132 C CA . PRO B 501 ? 0.5381 0.4729 0.4035 0.0046 0.0278 -0.1284 501 PRO B CA 8133 C C . PRO B 501 ? 0.5866 0.5154 0.4506 -0.0046 0.0246 -0.1165 501 PRO B C 8134 O O . PRO B 501 ? 0.5900 0.5333 0.4631 -0.0134 0.0270 -0.1134 501 PRO B O 8135 C CB . PRO B 501 ? 0.5581 0.4830 0.4125 -0.0031 0.0319 -0.1308 501 PRO B CB 8136 C CG . PRO B 501 ? 0.5870 0.5334 0.4516 -0.0127 0.0385 -0.1331 501 PRO B CG 8137 C CD . PRO B 501 ? 0.5207 0.4927 0.4037 -0.0068 0.0400 -0.1384 501 PRO B CD 8138 N N . PRO B 502 ? 0.5466 0.4536 0.3983 -0.0031 0.0196 -0.1100 502 PRO B N 8139 C CA . PRO B 502 ? 0.5233 0.4280 0.3745 -0.0129 0.0176 -0.0997 502 PRO B CA 8140 C C . PRO B 502 ? 0.5672 0.4721 0.4158 -0.0272 0.0200 -0.0964 502 PRO B C 8141 O O . PRO B 502 ? 0.5444 0.4407 0.3846 -0.0303 0.0221 -0.1001 502 PRO B O 8142 C CB . PRO B 502 ? 0.5591 0.4376 0.3939 -0.0101 0.0133 -0.0950 502 PRO B CB 8143 C CG . PRO B 502 ? 0.6325 0.5017 0.4614 0.0055 0.0114 -0.1024 502 PRO B CG 8144 C CD . PRO B 502 ? 0.5801 0.4623 0.4158 0.0067 0.0159 -0.1118 502 PRO B CD 8145 N N . TYR B 503 ? 0.5470 0.4623 0.4023 -0.0346 0.0194 -0.0901 503 TYR B N 8146 C CA . TYR B 503 ? 0.5382 0.4548 0.3909 -0.0461 0.0198 -0.0865 503 TYR B CA 8147 C C . TYR B 503 ? 0.5994 0.4998 0.4407 -0.0522 0.0169 -0.0821 503 TYR B C 8148 O O . TYR B 503 ? 0.5838 0.4788 0.4235 -0.0509 0.0146 -0.0779 503 TYR B O 8149 C CB . TYR B 503 ? 0.5287 0.4612 0.3918 -0.0491 0.0190 -0.0820 503 TYR B CB 8150 C CG . TYR B 503 ? 0.5302 0.4640 0.3895 -0.0585 0.0180 -0.0786 503 TYR B CG 8151 C CD1 . TYR B 503 ? 0.5451 0.4768 0.4017 -0.0639 0.0143 -0.0734 503 TYR B CD1 8152 C CD2 . TYR B 503 ? 0.5364 0.4737 0.3937 -0.0621 0.0206 -0.0811 503 TYR B CD2 8153 C CE1 . TYR B 503 ? 0.5496 0.4846 0.4030 -0.0708 0.0121 -0.0716 503 TYR B CE1 8154 C CE2 . TYR B 503 ? 0.5395 0.4761 0.3907 -0.0689 0.0184 -0.0781 503 TYR B CE2 8155 C CZ . TYR B 503 ? 0.6105 0.5469 0.4605 -0.0723 0.0136 -0.0738 503 TYR B CZ 8156 O OH . TYR B 503 ? 0.6784 0.6167 0.5232 -0.0773 0.0102 -0.0720 503 TYR B OH 8157 N N . THR B 504 ? 0.5918 0.4840 0.4240 -0.0598 0.0172 -0.0834 504 THR B N 8158 C CA . THR B 504 ? 0.6060 0.4838 0.4271 -0.0682 0.0147 -0.0806 504 THR B CA 8159 C C . THR B 504 ? 0.6727 0.5587 0.4938 -0.0784 0.0133 -0.0794 504 THR B C 8160 O O . THR B 504 ? 0.6471 0.5412 0.4704 -0.0779 0.0148 -0.0818 504 THR B O 8161 C CB . THR B 504 ? 0.6355 0.4901 0.4415 -0.0660 0.0154 -0.0857 504 THR B CB 8162 O OG1 . THR B 504 ? 0.6393 0.4966 0.4437 -0.0651 0.0180 -0.0918 504 THR B OG1 8163 C CG2 . THR B 504 ? 0.6091 0.4526 0.4120 -0.0535 0.0152 -0.0874 504 THR B CG2 8164 N N . THR B 505 ? 0.6715 0.5556 0.4892 -0.0877 0.0106 -0.0763 505 THR B N 8165 C CA . THR B 505 ? 0.6714 0.5649 0.4889 -0.0961 0.0079 -0.0764 505 THR B CA 8166 C C . THR B 505 ? 0.7363 0.6182 0.5420 -0.0986 0.0085 -0.0818 505 THR B C 8167 O O . THR B 505 ? 0.7051 0.5949 0.5100 -0.1005 0.0072 -0.0829 505 THR B O 8168 C CB . THR B 505 ? 0.6868 0.5857 0.5055 -0.1061 0.0049 -0.0734 505 THR B CB 8169 O OG1 . THR B 505 ? 0.7295 0.6081 0.5362 -0.1123 0.0058 -0.0745 505 THR B OG1 8170 C CG2 . THR B 505 ? 0.6190 0.5326 0.4495 -0.1034 0.0047 -0.0685 505 THR B CG2 8171 N N . ALA B 506 ? 0.7383 0.6000 0.5330 -0.0974 0.0104 -0.0855 506 ALA B N 8172 C CA . ALA B 506 ? 0.7678 0.6167 0.5499 -0.0990 0.0113 -0.0915 506 ALA B CA 8173 C C . ALA B 506 ? 0.8250 0.6801 0.6089 -0.0914 0.0153 -0.0954 506 ALA B C 8174 O O . ALA B 506 ? 0.8569 0.7147 0.6352 -0.0954 0.0152 -0.0976 506 ALA B O 8175 C CB . ALA B 506 ? 0.8009 0.6244 0.5694 -0.0982 0.0119 -0.0946 506 ALA B CB 8176 N N . ALA B 507 ? 0.7092 0.5669 0.4998 -0.0811 0.0188 -0.0970 507 ALA B N 8177 C CA . ALA B 507 ? 0.6809 0.5464 0.4740 -0.0753 0.0239 -0.1021 507 ALA B CA 8178 C C . ALA B 507 ? 0.6794 0.5639 0.4840 -0.0753 0.0254 -0.0989 507 ALA B C 8179 O O . ALA B 507 ? 0.6777 0.5680 0.4811 -0.0754 0.0299 -0.1024 507 ALA B O 8180 C CB . ALA B 507 ? 0.6984 0.5582 0.4922 -0.0640 0.0268 -0.1080 507 ALA B CB 8181 N N . GLN B 508 ? 0.6088 0.5017 0.4232 -0.0754 0.0222 -0.0926 508 GLN B N 8182 C CA . GLN B 508 ? 0.5847 0.4928 0.4088 -0.0751 0.0226 -0.0891 508 GLN B CA 8183 C C . GLN B 508 ? 0.6017 0.5185 0.4323 -0.0698 0.0285 -0.0938 508 GLN B C 8184 O O . GLN B 508 ? 0.5445 0.4682 0.3755 -0.0728 0.0311 -0.0935 508 GLN B O 8185 C CB . GLN B 508 ? 0.6048 0.5147 0.4221 -0.0821 0.0200 -0.0863 508 GLN B CB 8186 C CG . GLN B 508 ? 0.6488 0.5567 0.4631 -0.0876 0.0136 -0.0830 508 GLN B CG 8187 C CD . GLN B 508 ? 0.7822 0.6920 0.5883 -0.0924 0.0100 -0.0820 508 GLN B CD 8188 O OE1 . GLN B 508 ? 0.6599 0.5758 0.4667 -0.0909 0.0091 -0.0793 508 GLN B OE1 8189 N NE2 . GLN B 508 ? 0.6685 0.5710 0.4646 -0.0980 0.0073 -0.0844 508 GLN B NE2 8190 N N . GLN B 509 ? 0.5669 0.4828 0.4018 -0.0619 0.0305 -0.0987 509 GLN B N 8191 C CA . GLN B 509 ? 0.5436 0.4719 0.3869 -0.0566 0.0360 -0.1052 509 GLN B CA 8192 C C . GLN B 509 ? 0.5644 0.5072 0.4216 -0.0538 0.0356 -0.1030 509 GLN B C 8193 O O . GLN B 509 ? 0.5689 0.5110 0.4309 -0.0497 0.0311 -0.0986 509 GLN B O 8194 C CB . GLN B 509 ? 0.5557 0.4795 0.3980 -0.0471 0.0374 -0.1129 509 GLN B CB 8195 C CG . GLN B 509 ? 0.5661 0.4769 0.3943 -0.0492 0.0394 -0.1177 509 GLN B CG 8196 C CD . GLN B 509 ? 0.6734 0.5737 0.4976 -0.0382 0.0383 -0.1239 509 GLN B CD 8197 O OE1 . GLN B 509 ? 0.6609 0.5457 0.4796 -0.0349 0.0330 -0.1201 509 GLN B OE1 8198 N NE2 . GLN B 509 ? 0.6343 0.5416 0.4594 -0.0323 0.0434 -0.1338 509 GLN B NE2 8199 N N . TYR B 510 ? 0.5057 0.4607 0.3679 -0.0569 0.0408 -0.1062 510 TYR B N 8200 C CA . TYR B 510 ? 0.4889 0.4583 0.3638 -0.0556 0.0414 -0.1061 510 TYR B CA 8201 C C . TYR B 510 ? 0.5319 0.5162 0.4133 -0.0565 0.0492 -0.1155 510 TYR B C 8202 O O . TYR B 510 ? 0.5389 0.5215 0.4134 -0.0590 0.0542 -0.1208 510 TYR B O 8203 C CB . TYR B 510 ? 0.4964 0.4634 0.3682 -0.0626 0.0389 -0.0983 510 TYR B CB 8204 C CG . TYR B 510 ? 0.5280 0.4897 0.3879 -0.0720 0.0430 -0.0980 510 TYR B CG 8205 C CD1 . TYR B 510 ? 0.5553 0.5043 0.4009 -0.0760 0.0416 -0.0957 510 TYR B CD1 8206 C CD2 . TYR B 510 ? 0.5331 0.5009 0.3940 -0.0776 0.0479 -0.0997 510 TYR B CD2 8207 C CE1 . TYR B 510 ? 0.5592 0.5010 0.3907 -0.0839 0.0448 -0.0952 510 TYR B CE1 8208 C CE2 . TYR B 510 ? 0.5583 0.5169 0.4040 -0.0869 0.0519 -0.0987 510 TYR B CE2 8209 C CZ . TYR B 510 ? 0.6128 0.5581 0.4433 -0.0893 0.0499 -0.0961 510 TYR B CZ 8210 O OH . TYR B 510 ? 0.6408 0.5748 0.4531 -0.0976 0.0531 -0.0946 510 TYR B OH 8211 N N . VAL B 511 ? 0.4814 0.4816 0.3763 -0.0545 0.0503 -0.1186 511 VAL B N 8212 C CA . VAL B 511 ? 0.4682 0.4871 0.3718 -0.0564 0.0580 -0.1290 511 VAL B CA 8213 C C . VAL B 511 ? 0.5267 0.5517 0.4315 -0.0677 0.0623 -0.1279 511 VAL B C 8214 O O . VAL B 511 ? 0.4993 0.5187 0.4038 -0.0691 0.0575 -0.1206 511 VAL B O 8215 C CB . VAL B 511 ? 0.4842 0.5208 0.4038 -0.0435 0.0565 -0.1378 511 VAL B CB 8216 C CG1 . VAL B 511 ? 0.4767 0.5029 0.3910 -0.0316 0.0528 -0.1400 511 VAL B CG1 8217 C CG2 . VAL B 511 ? 0.4624 0.5049 0.3921 -0.0390 0.0506 -0.1341 511 VAL B CG2 8218 N N . SER B 512 ? 0.4946 0.5318 0.4008 -0.0756 0.0715 -0.1360 512 SER B N 8219 C CA . SER B 512 ? 0.4935 0.5361 0.3997 -0.0881 0.0770 -0.1366 512 SER B CA 8220 C C . SER B 512 ? 0.5303 0.5994 0.4580 -0.0843 0.0780 -0.1457 512 SER B C 8221 O O . SER B 512 ? 0.5104 0.5996 0.4510 -0.0769 0.0804 -0.1563 512 SER B O 8222 C CB . SER B 512 ? 0.5455 0.5864 0.4394 -0.1013 0.0876 -0.1405 512 SER B CB 8223 O OG . SER B 512 ? 0.6328 0.6921 0.5354 -0.0972 0.0936 -0.1520 512 SER B OG 8224 N N . LEU B 513 ? 0.4688 0.5381 0.4002 -0.0881 0.0752 -0.1422 513 LEU B N 8225 C CA . LEU B 513 ? 0.4588 0.5528 0.4097 -0.0863 0.0755 -0.1508 513 LEU B CA 8226 C C . LEU B 513 ? 0.5391 0.6382 0.4868 -0.1046 0.0849 -0.1549 513 LEU B C 8227 O O . LEU B 513 ? 0.5510 0.6305 0.4850 -0.1140 0.0843 -0.1469 513 LEU B O 8228 C CB . LEU B 513 ? 0.4450 0.5346 0.4010 -0.0776 0.0654 -0.1444 513 LEU B CB 8229 C CG . LEU B 513 ? 0.4604 0.5424 0.4171 -0.0611 0.0562 -0.1393 513 LEU B CG 8230 C CD1 . LEU B 513 ? 0.4141 0.4949 0.3757 -0.0547 0.0480 -0.1343 513 LEU B CD1 8231 C CD2 . LEU B 513 ? 0.4589 0.5585 0.4273 -0.0489 0.0561 -0.1494 513 LEU B CD2 8232 N N . ASN B 514 ? 0.5151 0.6386 0.4732 -0.1101 0.0941 -0.1675 514 ASN B N 8233 C CA . ASN B 514 ? 0.5216 0.6539 0.4777 -0.1298 0.1053 -0.1737 514 ASN B CA 8234 C C . ASN B 514 ? 0.5799 0.7533 0.5599 -0.1295 0.1119 -0.1910 514 ASN B C 8235 O O . ASN B 514 ? 0.5472 0.7390 0.5441 -0.1117 0.1058 -0.1970 514 ASN B O 8236 C CB . ASN B 514 ? 0.4920 0.5996 0.4219 -0.1436 0.1131 -0.1677 514 ASN B CB 8237 C CG . ASN B 514 ? 0.6953 0.8037 0.6207 -0.1377 0.1162 -0.1701 514 ASN B CG 8238 O OD1 . ASN B 514 ? 0.5947 0.7305 0.5368 -0.1311 0.1199 -0.1821 514 ASN B OD1 8239 N ND2 . ASN B 514 ? 0.5884 0.6666 0.4902 -0.1395 0.1146 -0.1596 514 ASN B ND2 8240 N N . LEU B 515 ? 0.5821 0.7701 0.5630 -0.1487 0.1242 -0.1995 515 LEU B N 8241 C CA . LEU B 515 ? 0.5877 0.8205 0.5939 -0.1497 0.1311 -0.2178 515 LEU B CA 8242 C C . LEU B 515 ? 0.6256 0.8758 0.6387 -0.1380 0.1344 -0.2264 515 LEU B C 8243 O O . LEU B 515 ? 0.6256 0.9136 0.6628 -0.1285 0.1348 -0.2413 515 LEU B O 8244 C CB . LEU B 515 ? 0.6048 0.8498 0.6098 -0.1759 0.1446 -0.2253 515 LEU B CB 8245 C CG . LEU B 515 ? 0.6649 0.8951 0.6638 -0.1888 0.1422 -0.2198 515 LEU B CG 8246 C CD1 . LEU B 515 ? 0.6832 0.9231 0.6776 -0.2172 0.1573 -0.2280 515 LEU B CD1 8247 C CD2 . LEU B 515 ? 0.6518 0.9039 0.6751 -0.1747 0.1309 -0.2249 515 LEU B CD2 8248 N N . LYS B 516 ? 0.5926 0.8150 0.5843 -0.1366 0.1353 -0.2176 516 LYS B N 8249 C CA . LYS B 516 ? 0.5837 0.8168 0.5780 -0.1250 0.1378 -0.2250 516 LYS B CA 8250 C C . LYS B 516 ? 0.6126 0.8418 0.6149 -0.0988 0.1236 -0.2227 516 LYS B C 8251 O O . LYS B 516 ? 0.5964 0.8048 0.5942 -0.0931 0.1131 -0.2111 516 LYS B O 8252 C CB . LYS B 516 ? 0.6063 0.8086 0.5723 -0.1342 0.1436 -0.2162 516 LYS B CB 8253 C CG . LYS B 516 ? 0.7376 0.9385 0.6898 -0.1599 0.1583 -0.2178 516 LYS B CG 8254 C CD . LYS B 516 ? 0.8880 1.0653 0.8138 -0.1658 0.1646 -0.2128 516 LYS B CD 8255 C CE . LYS B 516 ? 1.0606 1.1923 0.9565 -0.1722 0.1592 -0.1948 516 LYS B CE 8256 N NZ . LYS B 516 ? 1.2465 1.3577 1.1155 -0.1806 0.1665 -0.1915 516 LYS B NZ 8257 N N . PRO B 517 ? 0.5652 0.8113 0.5767 -0.0828 0.1231 -0.2331 517 PRO B N 8258 C CA . PRO B 517 ? 0.5556 0.7892 0.5679 -0.0590 0.1096 -0.2293 517 PRO B CA 8259 C C . PRO B 517 ? 0.5927 0.7818 0.5804 -0.0594 0.1034 -0.2114 517 PRO B C 8260 O O . PRO B 517 ? 0.5741 0.7451 0.5438 -0.0738 0.1100 -0.2052 517 PRO B O 8261 C CB . PRO B 517 ? 0.5782 0.8303 0.5967 -0.0456 0.1129 -0.2433 517 PRO B CB 8262 C CG . PRO B 517 ? 0.6244 0.9152 0.6578 -0.0590 0.1264 -0.2585 517 PRO B CG 8263 C CD . PRO B 517 ? 0.5819 0.8558 0.6003 -0.0851 0.1348 -0.2486 517 PRO B CD 8264 N N . LEU B 518 ? 0.5310 0.7032 0.5172 -0.0442 0.0908 -0.2035 518 LEU B N 8265 C CA . LEU B 518 ? 0.5429 0.6773 0.5085 -0.0446 0.0844 -0.1878 518 LEU B CA 8266 C C . LEU B 518 ? 0.5894 0.7074 0.5375 -0.0490 0.0896 -0.1867 518 LEU B C 8267 O O . LEU B 518 ? 0.5707 0.6991 0.5213 -0.0408 0.0928 -0.1971 518 LEU B O 8268 C CB . LEU B 518 ? 0.5445 0.6652 0.5092 -0.0257 0.0724 -0.1834 518 LEU B CB 8269 C CG . LEU B 518 ? 0.5953 0.7177 0.5685 -0.0177 0.0634 -0.1793 518 LEU B CG 8270 C CD1 . LEU B 518 ? 0.5897 0.6904 0.5536 -0.0019 0.0536 -0.1739 518 LEU B CD1 8271 C CD2 . LEU B 518 ? 0.6211 0.7310 0.5889 -0.0307 0.0624 -0.1675 518 LEU B CD2 8272 N N . GLU B 519 ? 0.5506 0.6425 0.4804 -0.0602 0.0893 -0.1744 519 GLU B N 8273 C CA A GLU B 519 ? 0.5589 0.6312 0.4691 -0.0650 0.0924 -0.1714 519 GLU B CA 8274 C CA B GLU B 519 ? 0.5619 0.6343 0.4724 -0.0644 0.0922 -0.1715 519 GLU B CA 8275 C C . GLU B 519 ? 0.6036 0.6469 0.5010 -0.0614 0.0822 -0.1582 519 GLU B C 8276 O O . GLU B 519 ? 0.5948 0.6311 0.4925 -0.0649 0.0773 -0.1491 519 GLU B O 8277 C CB A GLU B 519 ? 0.5834 0.6540 0.4822 -0.0841 0.1023 -0.1700 519 GLU B CB 8278 C CB B GLU B 519 ? 0.5905 0.6619 0.4893 -0.0830 0.1028 -0.1713 519 GLU B CB 8279 C CG A GLU B 519 ? 0.6493 0.6940 0.5236 -0.0911 0.1034 -0.1630 519 GLU B CG 8280 C CG B GLU B 519 ? 0.7004 0.8000 0.6087 -0.0871 0.1147 -0.1862 519 GLU B CG 8281 C CD A GLU B 519 ? 0.7660 0.8036 0.6247 -0.1093 0.1118 -0.1598 519 GLU B CD 8282 C CD B GLU B 519 ? 0.8575 0.9541 0.7502 -0.1060 0.1268 -0.1868 519 GLU B CD 8283 O OE1 A GLU B 519 ? 0.6833 0.7408 0.5480 -0.1183 0.1226 -0.1688 519 GLU B OE1 8284 O OE1 B GLU B 519 ? 0.9522 1.0263 0.8236 -0.1094 0.1275 -0.1815 519 GLU B OE1 8285 O OE2 A GLU B 519 ? 0.5209 0.5331 0.3603 -0.1148 0.1075 -0.1488 519 GLU B OE2 8286 O OE2 B GLU B 519 ? 0.6016 0.7187 0.5027 -0.1178 0.1360 -0.1934 519 GLU B OE2 8287 N N . VAL B 520 ? 0.5743 0.6022 0.4611 -0.0547 0.0792 -0.1579 520 VAL B N 8288 C CA . VAL B 520 ? 0.5671 0.5696 0.4419 -0.0530 0.0704 -0.1469 520 VAL B CA 8289 C C . VAL B 520 ? 0.6150 0.6014 0.4716 -0.0659 0.0723 -0.1402 520 VAL B C 8290 O O . VAL B 520 ? 0.6138 0.5992 0.4607 -0.0706 0.0788 -0.1454 520 VAL B O 8291 C CB . VAL B 520 ? 0.6112 0.6021 0.4818 -0.0400 0.0654 -0.1502 520 VAL B CB 8292 C CG1 . VAL B 520 ? 0.6075 0.5731 0.4653 -0.0414 0.0574 -0.1395 520 VAL B CG1 8293 C CG2 . VAL B 520 ? 0.5969 0.6014 0.4824 -0.0252 0.0622 -0.1568 520 VAL B CG2 8294 N N . ARG B 521 ? 0.5764 0.5512 0.4280 -0.0708 0.0665 -0.1294 521 ARG B N 8295 C CA . ARG B 521 ? 0.5779 0.5366 0.4115 -0.0805 0.0657 -0.1225 521 ARG B CA 8296 C C . ARG B 521 ? 0.6105 0.5544 0.4390 -0.0772 0.0561 -0.1151 521 ARG B C 8297 O O . ARG B 521 ? 0.5854 0.5309 0.4238 -0.0698 0.0510 -0.1134 521 ARG B O 8298 C CB . ARG B 521 ? 0.5904 0.5503 0.4218 -0.0893 0.0675 -0.1175 521 ARG B CB 8299 C CG . ARG B 521 ? 0.6311 0.6048 0.4654 -0.0963 0.0782 -0.1250 521 ARG B CG 8300 C CD . ARG B 521 ? 0.6313 0.6010 0.4601 -0.1059 0.0797 -0.1197 521 ARG B CD 8301 N NE . ARG B 521 ? 0.6479 0.6341 0.4836 -0.1135 0.0901 -0.1277 521 ARG B NE 8302 C CZ . ARG B 521 ? 0.7710 0.7566 0.6048 -0.1226 0.0929 -0.1257 521 ARG B CZ 8303 N NH1 . ARG B 521 ? 0.5945 0.5633 0.4197 -0.1231 0.0855 -0.1157 521 ARG B NH1 8304 N NH2 . ARG B 521 ? 0.6348 0.6375 0.4757 -0.1313 0.1031 -0.1343 521 ARG B NH2 8305 N N . ARG B 522 ? 0.5713 0.5013 0.3836 -0.0830 0.0539 -0.1114 522 ARG B N 8306 C CA . ARG B 522 ? 0.5790 0.4975 0.3863 -0.0821 0.0455 -0.1059 522 ARG B CA 8307 C C . ARG B 522 ? 0.6561 0.5698 0.4554 -0.0879 0.0405 -0.0981 522 ARG B C 8308 O O . ARG B 522 ? 0.6658 0.5744 0.4518 -0.0937 0.0433 -0.0978 522 ARG B O 8309 C CB . ARG B 522 ? 0.5720 0.4791 0.3674 -0.0822 0.0457 -0.1106 522 ARG B CB 8310 C CG . ARG B 522 ? 0.6776 0.5852 0.4799 -0.0732 0.0473 -0.1173 522 ARG B CG 8311 C CD . ARG B 522 ? 0.7145 0.6080 0.5031 -0.0726 0.0475 -0.1229 522 ARG B CD 8312 N NE . ARG B 522 ? 0.7703 0.6489 0.5500 -0.0768 0.0401 -0.1179 522 ARG B NE 8313 C CZ . ARG B 522 ? 0.8464 0.7093 0.6134 -0.0772 0.0385 -0.1218 522 ARG B CZ 8314 N NH1 . ARG B 522 ? 0.5873 0.4465 0.3490 -0.0716 0.0435 -0.1308 522 ARG B NH1 8315 N NH2 . ARG B 522 ? 0.6857 0.5374 0.4456 -0.0832 0.0320 -0.1177 522 ARG B NH2 8316 N N . GLY B 523 ? 0.6017 0.5169 0.4080 -0.0858 0.0334 -0.0923 523 GLY B N 8317 C CA . GLY B 523 ? 0.6020 0.5151 0.4025 -0.0886 0.0272 -0.0859 523 GLY B CA 8318 C C . GLY B 523 ? 0.6710 0.5883 0.4742 -0.0885 0.0286 -0.0829 523 GLY B C 8319 O O . GLY B 523 ? 0.6814 0.5953 0.4764 -0.0924 0.0345 -0.0849 523 GLY B O 8320 N N . LEU B 524 ? 0.6346 0.5585 0.4483 -0.0847 0.0237 -0.0786 524 LEU B N 8321 C CA . LEU B 524 ? 0.6495 0.5755 0.4651 -0.0840 0.0240 -0.0759 524 LEU B CA 8322 C C . LEU B 524 ? 0.6994 0.6167 0.5007 -0.0849 0.0177 -0.0711 524 LEU B C 8323 O O . LEU B 524 ? 0.6947 0.6167 0.5000 -0.0810 0.0102 -0.0678 524 LEU B O 8324 C CB . LEU B 524 ? 0.6409 0.5782 0.4739 -0.0781 0.0214 -0.0743 524 LEU B CB 8325 C CG . LEU B 524 ? 0.7173 0.6578 0.5547 -0.0767 0.0217 -0.0727 524 LEU B CG 8326 C CD1 . LEU B 524 ? 0.7256 0.6673 0.5635 -0.0807 0.0300 -0.0777 524 LEU B CD1 8327 C CD2 . LEU B 524 ? 0.7509 0.7022 0.6038 -0.0704 0.0185 -0.0712 524 LEU B CD2 8328 N N . ARG B 525 ? 0.6784 0.5830 0.4615 -0.0897 0.0207 -0.0712 525 ARG B N 8329 C CA . ARG B 525 ? 0.6832 0.5747 0.4467 -0.0895 0.0144 -0.0669 525 ARG B CA 8330 C C . ARG B 525 ? 0.6780 0.5745 0.4426 -0.0862 0.0057 -0.0662 525 ARG B C 8331 O O . ARG B 525 ? 0.6152 0.5148 0.3801 -0.0809 -0.0028 -0.0631 525 ARG B O 8332 C CB . ARG B 525 ? 0.7144 0.6025 0.4769 -0.0855 0.0106 -0.0628 525 ARG B CB 8333 C CG . ARG B 525 ? 0.8640 0.7509 0.6302 -0.0895 0.0186 -0.0643 525 ARG B CG 8334 C CD . ARG B 525 ? 1.0163 0.8820 0.7581 -0.0955 0.0216 -0.0624 525 ARG B CD 8335 N NE . ARG B 525 ? 1.1290 0.9968 0.8759 -0.1027 0.0313 -0.0657 525 ARG B NE 8336 C CZ . ARG B 525 ? 1.2523 1.1110 0.9937 -0.1045 0.0318 -0.0640 525 ARG B CZ 8337 N NH1 . ARG B 525 ? 0.8201 0.6647 0.5491 -0.0980 0.0228 -0.0587 525 ARG B NH1 8338 N NH2 . ARG B 525 ? 1.2211 1.0848 0.9690 -0.1127 0.0409 -0.0684 525 ARG B NH2 8339 N N . ALA B 526 ? 0.6458 0.5449 0.4128 -0.0893 0.0079 -0.0700 526 ALA B N 8340 C CA . ALA B 526 ? 0.6388 0.5440 0.4089 -0.0887 0.0009 -0.0705 526 ALA B CA 8341 C C . ALA B 526 ? 0.6748 0.5766 0.4311 -0.0868 -0.0086 -0.0684 526 ALA B C 8342 O O . ALA B 526 ? 0.6554 0.5695 0.4209 -0.0833 -0.0162 -0.0676 526 ALA B O 8343 C CB . ALA B 526 ? 0.6488 0.5509 0.4174 -0.0932 0.0053 -0.0754 526 ALA B CB 8344 N N . GLN B 527 ? 0.6371 0.5232 0.3708 -0.0886 -0.0082 -0.0681 527 GLN B N 8345 C CA . GLN B 527 ? 0.6281 0.5084 0.3447 -0.0851 -0.0184 -0.0665 527 GLN B CA 8346 C C . GLN B 527 ? 0.6532 0.5357 0.3710 -0.0768 -0.0254 -0.0624 527 GLN B C 8347 O O . GLN B 527 ? 0.6436 0.5379 0.3661 -0.0709 -0.0354 -0.0627 527 GLN B O 8348 C CB . GLN B 527 ? 0.6607 0.5195 0.3486 -0.0887 -0.0159 -0.0664 527 GLN B CB 8349 C CG . GLN B 527 ? 0.8059 0.6621 0.4873 -0.0951 -0.0123 -0.0713 527 GLN B CG 8350 C CD . GLN B 527 ? 0.8973 0.7673 0.5896 -0.0950 -0.0198 -0.0747 527 GLN B CD 8351 O OE1 . GLN B 527 ? 0.8154 0.6943 0.5241 -0.0984 -0.0157 -0.0779 527 GLN B OE1 8352 N NE2 . GLN B 527 ? 0.7501 0.6214 0.4319 -0.0916 -0.0310 -0.0748 527 GLN B NE2 8353 N N . THR B 528 ? 0.6238 0.4960 0.3378 -0.0764 -0.0200 -0.0596 528 THR B N 8354 C CA . THR B 528 ? 0.6249 0.4950 0.3376 -0.0682 -0.0259 -0.0560 528 THR B CA 8355 C C . THR B 528 ? 0.6644 0.5584 0.4035 -0.0628 -0.0297 -0.0568 528 THR B C 8356 O O . THR B 528 ? 0.6716 0.5719 0.4111 -0.0539 -0.0391 -0.0559 528 THR B O 8357 C CB . THR B 528 ? 0.7683 0.6203 0.4699 -0.0718 -0.0180 -0.0537 528 THR B CB 8358 O OG1 . THR B 528 ? 0.8525 0.6803 0.5241 -0.0761 -0.0165 -0.0523 528 THR B OG1 8359 C CG2 . THR B 528 ? 0.7078 0.5567 0.4101 -0.0640 -0.0228 -0.0507 528 THR B CG2 8360 N N . CYS B 529 ? 0.6021 0.5093 0.3618 -0.0675 -0.0229 -0.0587 529 CYS B N 8361 C CA . CYS B 529 ? 0.5824 0.5103 0.3642 -0.0634 -0.0257 -0.0590 529 CYS B CA 8362 C C . CYS B 529 ? 0.6124 0.5567 0.4011 -0.0630 -0.0331 -0.0613 529 CYS B C 8363 O O . CYS B 529 ? 0.5734 0.5348 0.3747 -0.0578 -0.0381 -0.0615 529 CYS B O 8364 C CB . CYS B 529 ? 0.5770 0.5110 0.3755 -0.0670 -0.0171 -0.0597 529 CYS B CB 8365 S SG . CYS B 529 ? 0.6373 0.5603 0.4333 -0.0662 -0.0107 -0.0581 529 CYS B SG 8366 N N . ALA B 530 ? 0.6024 0.5421 0.3808 -0.0678 -0.0347 -0.0637 530 ALA B N 8367 C CA . ALA B 530 ? 0.6007 0.5566 0.3840 -0.0682 -0.0427 -0.0669 530 ALA B CA 8368 C C . ALA B 530 ? 0.6539 0.6148 0.4299 -0.0575 -0.0539 -0.0665 530 ALA B C 8369 O O . ALA B 530 ? 0.6269 0.6105 0.4155 -0.0542 -0.0610 -0.0693 530 ALA B O 8370 C CB . ALA B 530 ? 0.6231 0.5701 0.3940 -0.0755 -0.0423 -0.0699 530 ALA B CB 8371 N N . PHE B 531 ? 0.6368 0.5758 0.3914 -0.0521 -0.0554 -0.0634 531 PHE B N 8372 C CA . PHE B 531 ? 0.6293 0.5659 0.3719 -0.0396 -0.0664 -0.0625 531 PHE B CA 8373 C C . PHE B 531 ? 0.6505 0.6044 0.4113 -0.0315 -0.0687 -0.0623 531 PHE B C 8374 O O . PHE B 531 ? 0.6515 0.6255 0.4196 -0.0230 -0.0783 -0.0655 531 PHE B O 8375 C CB . PHE B 531 ? 0.6585 0.5616 0.3710 -0.0375 -0.0654 -0.0582 531 PHE B CB 8376 C CG . PHE B 531 ? 0.6867 0.5804 0.3838 -0.0233 -0.0759 -0.0564 531 PHE B CG 8377 C CD1 . PHE B 531 ? 0.7394 0.6356 0.4235 -0.0135 -0.0892 -0.0586 531 PHE B CD1 8378 C CD2 . PHE B 531 ? 0.7112 0.5931 0.4060 -0.0186 -0.0735 -0.0531 531 PHE B CD2 8379 C CE1 . PHE B 531 ? 0.7802 0.6661 0.4484 0.0022 -0.1001 -0.0575 531 PHE B CE1 8380 C CE2 . PHE B 531 ? 0.7576 0.6277 0.4360 -0.0042 -0.0838 -0.0518 531 PHE B CE2 8381 C CZ . PHE B 531 ? 0.7585 0.6302 0.4234 0.0069 -0.0972 -0.0539 531 PHE B CZ 8382 N N . TRP B 532 ? 0.6138 0.5615 0.3815 -0.0336 -0.0602 -0.0595 532 TRP B N 8383 C CA . TRP B 532 ? 0.6043 0.5659 0.3875 -0.0264 -0.0612 -0.0592 532 TRP B CA 8384 C C . TRP B 532 ? 0.6497 0.6429 0.4593 -0.0294 -0.0606 -0.0626 532 TRP B C 8385 O O . TRP B 532 ? 0.6359 0.6489 0.4556 -0.0210 -0.0669 -0.0649 532 TRP B O 8386 C CB . TRP B 532 ? 0.5837 0.5301 0.3667 -0.0294 -0.0520 -0.0560 532 TRP B CB 8387 C CG . TRP B 532 ? 0.6145 0.5305 0.3718 -0.0268 -0.0524 -0.0528 532 TRP B CG 8388 C CD1 . TRP B 532 ? 0.6610 0.5545 0.4022 -0.0358 -0.0450 -0.0511 532 TRP B CD1 8389 C CD2 . TRP B 532 ? 0.6228 0.5259 0.3648 -0.0147 -0.0605 -0.0514 532 TRP B CD2 8390 N NE1 . TRP B 532 ? 0.6708 0.5374 0.3875 -0.0321 -0.0469 -0.0481 532 TRP B NE1 8391 C CE2 . TRP B 532 ? 0.6888 0.5583 0.4040 -0.0186 -0.0570 -0.0480 532 TRP B CE2 8392 C CE3 . TRP B 532 ? 0.6317 0.5481 0.3794 -0.0008 -0.0701 -0.0532 532 TRP B CE3 8393 C CZ2 . TRP B 532 ? 0.7024 0.5467 0.3934 -0.0095 -0.0633 -0.0456 532 TRP B CZ2 8394 C CZ3 . TRP B 532 ? 0.6713 0.5645 0.3964 0.0104 -0.0770 -0.0514 532 TRP B CZ3 8395 C CH2 . TRP B 532 ? 0.7021 0.5575 0.3982 0.0058 -0.0736 -0.0473 532 TRP B CH2 8396 N N . ASN B 533 ? 0.6230 0.6202 0.4421 -0.0412 -0.0531 -0.0632 533 ASN B N 8397 C CA . ASN B 533 ? 0.6123 0.6333 0.4527 -0.0469 -0.0504 -0.0654 533 ASN B CA 8398 C C . ASN B 533 ? 0.6652 0.7067 0.5115 -0.0505 -0.0565 -0.0702 533 ASN B C 8399 O O . ASN B 533 ? 0.6327 0.6985 0.4960 -0.0526 -0.0566 -0.0727 533 ASN B O 8400 C CB . ASN B 533 ? 0.5609 0.5727 0.4061 -0.0568 -0.0398 -0.0639 533 ASN B CB 8401 C CG . ASN B 533 ? 0.6621 0.6609 0.5065 -0.0536 -0.0340 -0.0606 533 ASN B CG 8402 O OD1 . ASN B 533 ? 0.6158 0.6143 0.4588 -0.0452 -0.0370 -0.0593 533 ASN B OD1 8403 N ND2 . ASN B 533 ? 0.5485 0.5358 0.3925 -0.0596 -0.0260 -0.0600 533 ASN B ND2 8404 N N . ARG B 534 ? 0.6408 0.6738 0.4731 -0.0521 -0.0612 -0.0720 534 ARG B N 8405 C CA . ARG B 534 ? 0.6455 0.6990 0.4834 -0.0565 -0.0675 -0.0777 534 ARG B CA 8406 C C . ARG B 534 ? 0.7127 0.7752 0.5426 -0.0449 -0.0803 -0.0809 534 ARG B C 8407 O O . ARG B 534 ? 0.7192 0.8118 0.5629 -0.0428 -0.0869 -0.0865 534 ARG B O 8408 C CB . ARG B 534 ? 0.6623 0.7030 0.4923 -0.0689 -0.0636 -0.0790 534 ARG B CB 8409 C CG . ARG B 534 ? 0.7529 0.7839 0.5892 -0.0789 -0.0522 -0.0767 534 ARG B CG 8410 C CD . ARG B 534 ? 0.8214 0.8333 0.6450 -0.0876 -0.0484 -0.0779 534 ARG B CD 8411 N NE . ARG B 534 ? 0.9142 0.9126 0.7407 -0.0927 -0.0381 -0.0756 534 ARG B NE 8412 C CZ . ARG B 534 ? 1.0241 1.0239 0.8572 -0.1022 -0.0339 -0.0772 534 ARG B CZ 8413 N NH1 . ARG B 534 ? 0.7490 0.7633 0.5868 -0.1102 -0.0380 -0.0813 534 ARG B NH1 8414 N NH2 . ARG B 534 ? 0.7372 0.7229 0.5707 -0.1039 -0.0258 -0.0751 534 ARG B NH2 8415 N N . PHE B 535 ? 0.6621 0.6993 0.4688 -0.0372 -0.0841 -0.0780 535 PHE B N 8416 C CA . PHE B 535 ? 0.6474 0.6894 0.4423 -0.0245 -0.0977 -0.0810 535 PHE B CA 8417 C C . PHE B 535 ? 0.6929 0.7455 0.4923 -0.0086 -0.1044 -0.0814 535 PHE B C 8418 O O . PHE B 535 ? 0.6912 0.7725 0.5011 -0.0009 -0.1141 -0.0876 535 PHE B O 8419 C CB . PHE B 535 ? 0.6695 0.6786 0.4333 -0.0220 -0.1006 -0.0780 535 PHE B CB 8420 C CG . PHE B 535 ? 0.6846 0.6976 0.4341 -0.0075 -0.1161 -0.0813 535 PHE B CG 8421 C CD1 . PHE B 535 ? 0.6861 0.7254 0.4434 -0.0080 -0.1252 -0.0888 535 PHE B CD1 8422 C CD2 . PHE B 535 ? 0.7245 0.7153 0.4525 0.0074 -0.1222 -0.0775 535 PHE B CD2 8423 C CE1 . PHE B 535 ? 0.7128 0.7581 0.4575 0.0074 -0.1408 -0.0928 535 PHE B CE1 8424 C CE2 . PHE B 535 ? 0.7751 0.7675 0.4875 0.0232 -0.1378 -0.0808 535 PHE B CE2 8425 C CZ . PHE B 535 ? 0.7410 0.7621 0.4626 0.0238 -0.1473 -0.0886 535 PHE B CZ 8426 N N . LEU B 536 ? 0.6621 0.6920 0.4524 -0.0033 -0.0999 -0.0756 536 LEU B N 8427 C CA . LEU B 536 ? 0.7020 0.7358 0.4921 0.0129 -0.1065 -0.0759 536 LEU B CA 8428 C C . LEU B 536 ? 0.8113 0.8863 0.6302 0.0162 -0.1084 -0.0818 536 LEU B C 8429 O O . LEU B 536 ? 0.8119 0.9024 0.6308 0.0316 -0.1197 -0.0864 536 LEU B O 8430 C CB . LEU B 536 ? 0.7114 0.7151 0.4894 0.0147 -0.0998 -0.0695 536 LEU B CB 8431 C CG . LEU B 536 ? 0.8056 0.7704 0.5491 0.0220 -0.1045 -0.0652 536 LEU B CG 8432 C CD1 . LEU B 536 ? 0.8183 0.7672 0.5536 0.0327 -0.1056 -0.0627 536 LEU B CD1 8433 C CD2 . LEU B 536 ? 0.8551 0.8209 0.5822 0.0334 -0.1189 -0.0686 536 LEU B CD2 8434 N N . PRO B 537 ? 0.7964 0.8905 0.6384 0.0028 -0.0984 -0.0824 537 PRO B N 8435 C CA . PRO B 537 ? 0.8059 0.9404 0.6731 0.0046 -0.0998 -0.0884 537 PRO B CA 8436 C C . PRO B 537 ? 0.9115 1.0762 0.7848 0.0094 -0.1113 -0.0970 537 PRO B C 8437 O O . PRO B 537 ? 0.9180 1.1082 0.8005 0.0230 -0.1191 -0.1026 537 PRO B O 8438 C CB . PRO B 537 ? 0.8039 0.9450 0.6869 -0.0139 -0.0871 -0.0867 537 PRO B CB 8439 C CG . PRO B 537 ? 0.8464 0.9506 0.7149 -0.0188 -0.0789 -0.0792 537 PRO B CG 8440 C CD . PRO B 537 ? 0.8031 0.8833 0.6480 -0.0138 -0.0856 -0.0781 537 PRO B CD 8441 N N . LYS B 538 ? 0.8976 1.0591 0.7645 -0.0004 -0.1132 -0.0986 538 LYS B N 8442 C CA . LYS B 538 ? 0.9146 1.1037 0.7859 0.0022 -0.1246 -0.1074 538 LYS B CA 8443 C C . LYS B 538 ? 1.0402 1.2277 0.8967 0.0250 -0.1398 -0.1102 538 LYS B C 8444 O O . LYS B 538 ? 1.0381 1.2610 0.9062 0.0336 -0.1505 -0.1195 538 LYS B O 8445 C CB . LYS B 538 ? 0.9347 1.1108 0.7959 -0.0120 -0.1235 -0.1075 538 LYS B CB 8446 C CG . LYS B 538 ? 1.0519 1.2399 0.9299 -0.0338 -0.1125 -0.1087 538 LYS B CG 8447 C CD . LYS B 538 ? 1.2259 1.3924 1.0892 -0.0462 -0.1108 -0.1079 538 LYS B CD 8448 C CE . LYS B 538 ? 1.4521 1.6222 1.3272 -0.0672 -0.0999 -0.1085 538 LYS B CE 8449 N NZ . LYS B 538 ? 1.6161 1.8274 1.5127 -0.0764 -0.1026 -0.1176 538 LYS B NZ 8450 N N . LEU B 539 ? 1.0608 1.2071 0.8907 0.0346 -0.1409 -0.1027 539 LEU B N 8451 C CA . LEU B 539 ? 1.1077 1.2412 0.9160 0.0570 -0.1550 -0.1037 539 LEU B CA 8452 C C . LEU B 539 ? 1.2376 1.3918 1.0585 0.0737 -0.1596 -0.1076 539 LEU B C 8453 O O . LEU B 539 ? 1.2567 1.4185 1.0692 0.0941 -0.1740 -0.1128 539 LEU B O 8454 C CB . LEU B 539 ? 1.1234 1.2025 0.8972 0.0585 -0.1524 -0.0939 539 LEU B CB 8455 C CG . LEU B 539 ? 1.2119 1.2662 0.9529 0.0761 -0.1669 -0.0936 539 LEU B CG 8456 C CD1 . LEU B 539 ? 1.2252 1.2977 0.9646 0.0760 -0.1770 -0.1001 539 LEU B CD1 8457 C CD2 . LEU B 539 ? 1.2611 1.2623 0.9687 0.0718 -0.1609 -0.0837 539 LEU B CD2 8458 N N . LEU B 540 ? 1.2299 1.3924 1.0694 0.0659 -0.1477 -0.1053 540 LEU B N 8459 C CA . LEU B 540 ? 1.2427 1.4258 1.0960 0.0794 -0.1494 -0.1090 540 LEU B CA 8460 C C . LEU B 540 ? 1.3169 1.5579 1.2027 0.0772 -0.1513 -0.1199 540 LEU B C 8461 O O . LEU B 540 ? 1.3219 1.5893 1.2147 0.0956 -0.1615 -0.1279 540 LEU B O 8462 C CB . LEU B 540 ? 1.2311 1.3955 1.0878 0.0709 -0.1354 -0.1015 540 LEU B CB 8463 C CG . LEU B 540 ? 1.3137 1.4352 1.1452 0.0825 -0.1361 -0.0948 540 LEU B CG 8464 C CD1 . LEU B 540 ? 1.3453 1.4221 1.1432 0.0827 -0.1398 -0.0887 540 LEU B CD1 8465 C CD2 . LEU B 540 ? 1.3283 1.4384 1.1676 0.0708 -0.1219 -0.0889 540 LEU B CD2 8466 N N . SER B 541 ? 1.2808 1.5407 1.1849 0.0547 -0.1416 -0.1208 541 SER B N 8467 C CA . SER B 541 ? 1.2808 1.5937 1.2151 0.0460 -0.1403 -0.1307 541 SER B CA 8468 C C . SER B 541 ? 1.3936 1.7414 1.3338 0.0572 -0.1555 -0.1424 541 SER B C 8469 O O . SER B 541 ? 1.3877 1.7848 1.3530 0.0589 -0.1575 -0.1528 541 SER B O 8470 C CB . SER B 541 ? 1.3096 1.6230 1.2538 0.0187 -0.1273 -0.1279 541 SER B CB 8471 O OG . SER B 541 ? 1.4313 1.7348 1.3651 0.0097 -0.1312 -0.1286 541 SER B OG 8472 N N . ALA B 542 ? 1.3998 1.7237 1.3166 0.0644 -0.1661 -0.1412 542 ALA B N 8473 C CA . ALA B 542 ? 1.4223 1.7746 1.3403 0.0769 -0.1826 -0.1521 542 ALA B CA 8474 C C . ALA B 542 ? 1.5231 1.8688 1.4248 0.1087 -0.1983 -0.1548 542 ALA B C 8475 O O . ALA B 542 ? 1.5309 1.9127 1.4409 0.1234 -0.2125 -0.1665 542 ALA B O 8476 C CB . ALA B 542 ? 1.4434 1.7749 1.3442 0.0664 -0.1857 -0.1501 542 ALA B CB 8477 N N . THR B 543 ? 1.5080 1.8100 1.3879 0.1192 -0.1957 -0.1452 543 THR B N 8478 C CA . THR B 543 ? 1.6117 1.8981 1.4712 0.1489 -0.2097 -0.1466 543 THR B CA 8479 C C . THR B 543 ? 1.8067 2.1184 1.6853 0.1607 -0.2074 -0.1513 543 THR B C 8480 O O . THR B 543 ? 1.8125 2.1077 1.6946 0.1505 -0.1935 -0.1439 543 THR B O 8481 C CB . THR B 543 ? 1.7796 1.9980 1.5972 0.1530 -0.2100 -0.1338 543 THR B CB 8482 O OG1 . THR B 543 ? 1.7884 1.9892 1.5891 0.1435 -0.2129 -0.1313 543 THR B OG1 8483 C CG2 . THR B 543 ? 1.8076 2.0014 1.5980 0.1830 -0.2246 -0.1344 543 THR B CG2 8484 O OXT . THR B 543 ? 2.0930 2.4404 1.9815 0.1816 -0.2202 -0.1628 543 THR B OXT # 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 GLU 1 1 1 GLU GLU A . n A 1 2 GLY 2 2 2 GLY GLY A . n A 1 3 ARG 3 3 3 ARG ARG A . n A 1 4 GLU 4 4 4 GLU GLU A . n A 1 5 ASP 5 5 5 ASP ASP A . n A 1 6 PRO 6 6 6 PRO PRO A . n A 1 7 GLN 7 7 7 GLN GLN A . n A 1 8 LEU 8 8 8 LEU LEU A . n A 1 9 LEU 9 9 9 LEU LEU A . n A 1 10 VAL 10 10 10 VAL VAL A . n A 1 11 ARG 11 11 11 ARG ARG A . n A 1 12 VAL 12 12 12 VAL VAL A . n A 1 13 ARG 13 13 13 ARG ARG A . n A 1 14 GLY 14 14 14 GLY GLY A . n A 1 15 GLY 15 15 15 GLY GLY A . n A 1 16 GLN 16 16 16 GLN GLN A . n A 1 17 LEU 17 17 17 LEU LEU A . n A 1 18 ARG 18 18 18 ARG ARG A . n A 1 19 GLY 19 19 19 GLY GLY A . n A 1 20 ILE 20 20 20 ILE ILE A . n A 1 21 ARG 21 21 21 ARG ARG A . n A 1 22 LEU 22 22 22 LEU LEU A . n A 1 23 LYS 23 23 23 LYS LYS A . n A 1 24 ALA 24 24 24 ALA ALA A . n A 1 25 PRO 25 25 25 PRO PRO A . n A 1 26 GLY 26 26 26 GLY GLY A . n A 1 27 GLY 27 27 27 GLY GLY A . n A 1 28 PRO 28 28 28 PRO PRO A . n A 1 29 VAL 29 29 29 VAL VAL A . n A 1 30 SER 30 30 30 SER SER A . n A 1 31 ALA 31 31 31 ALA ALA A . n A 1 32 PHE 32 32 32 PHE PHE A . n A 1 33 LEU 33 33 33 LEU LEU A . n A 1 34 GLY 34 34 34 GLY GLY A . n A 1 35 ILE 35 35 35 ILE ILE A . n A 1 36 PRO 36 36 36 PRO PRO A . n A 1 37 PHE 37 37 37 PHE PHE A . n A 1 38 ALA 38 38 38 ALA ALA A . n A 1 39 GLU 39 39 39 GLU GLU A . n A 1 40 PRO 40 40 40 PRO PRO A . n A 1 41 PRO 41 41 41 PRO PRO A . n A 1 42 VAL 42 42 42 VAL VAL A . n A 1 43 GLY 43 43 43 GLY GLY A . n A 1 44 SER 44 44 44 SER SER A . n A 1 45 ARG 45 45 45 ARG ARG A . n A 1 46 ARG 46 46 46 ARG ARG A . n A 1 47 PHE 47 47 47 PHE PHE A . n A 1 48 MET 48 48 48 MET MET A . n A 1 49 PRO 49 49 49 PRO PRO A . n A 1 50 PRO 50 50 50 PRO PRO A . n A 1 51 GLU 51 51 51 GLU GLU A . n A 1 52 PRO 52 52 52 PRO PRO A . n A 1 53 LYS 53 53 53 LYS LYS A . n A 1 54 ARG 54 54 54 ARG ARG A . n A 1 55 PRO 55 55 55 PRO PRO A . n A 1 56 TRP 56 56 56 TRP TRP A . n A 1 57 SER 57 57 57 SER SER A . n A 1 58 GLY 58 58 58 GLY GLY A . n A 1 59 VAL 59 59 59 VAL VAL A . n A 1 60 LEU 60 60 60 LEU LEU A . n A 1 61 ASP 61 61 61 ASP ASP A . n A 1 62 ALA 62 62 62 ALA ALA A . n A 1 63 THR 63 63 63 THR THR A . n A 1 64 THR 64 64 64 THR THR A . n A 1 65 PHE 65 65 65 PHE PHE A . n A 1 66 GLN 66 66 66 GLN GLN A . n A 1 67 ASN 67 67 67 ASN ASN A . n A 1 68 VAL 68 68 68 VAL VAL A . n A 1 69 CYS 69 69 69 CYS CYS A . n A 1 70 TYR 70 70 70 TYR TYR A . n A 1 71 GLN 71 71 71 GLN GLN A . n A 1 72 TYR 72 72 72 TYR TYR A . n A 1 73 VAL 73 73 73 VAL VAL A . n A 1 74 ASP 74 74 74 ASP ASP A . n A 1 75 THR 75 75 75 THR THR A . n A 1 76 LEU 76 76 76 LEU LEU A . n A 1 77 TYR 77 77 77 TYR TYR A . n A 1 78 PRO 78 78 78 PRO PRO A . n A 1 79 GLY 79 79 79 GLY GLY A . n A 1 80 PHE 80 80 80 PHE PHE A . n A 1 81 GLU 81 81 81 GLU GLU A . n A 1 82 GLY 82 82 82 GLY GLY A . n A 1 83 THR 83 83 83 THR THR A . n A 1 84 GLU 84 84 84 GLU GLU A . n A 1 85 MET 85 85 85 MET MET A . n A 1 86 TRP 86 86 86 TRP TRP A . n A 1 87 ASN 87 87 87 ASN ASN A . n A 1 88 PRO 88 88 88 PRO PRO A . n A 1 89 ASN 89 89 89 ASN ASN A . n A 1 90 ARG 90 90 90 ARG ARG A . n A 1 91 GLU 91 91 91 GLU GLU A . n A 1 92 LEU 92 92 92 LEU LEU A . n A 1 93 SER 93 93 93 SER SER A . n A 1 94 GLU 94 94 94 GLU GLU A . n A 1 95 ASP 95 95 95 ASP ASP A . n A 1 96 CYS 96 96 96 CYS CYS A . n A 1 97 LEU 97 97 97 LEU LEU A . n A 1 98 TYR 98 98 98 TYR TYR A . n A 1 99 LEU 99 99 99 LEU LEU A . n A 1 100 ASN 100 100 100 ASN ASN A . n A 1 101 VAL 101 101 101 VAL VAL A . n A 1 102 TRP 102 102 102 TRP TRP A . n A 1 103 THR 103 103 103 THR THR A . n A 1 104 PRO 104 104 104 PRO PRO A . n A 1 105 TYR 105 105 105 TYR TYR A . n A 1 106 PRO 106 106 106 PRO PRO A . n A 1 107 ARG 107 107 107 ARG ARG A . n A 1 108 PRO 108 108 108 PRO PRO A . n A 1 109 ALA 109 109 109 ALA ALA A . n A 1 110 SER 110 110 110 SER SER A . n A 1 111 PRO 111 111 111 PRO PRO A . n A 1 112 THR 112 112 112 THR THR A . n A 1 113 PRO 113 113 113 PRO PRO A . n A 1 114 VAL 114 114 114 VAL VAL A . n A 1 115 LEU 115 115 115 LEU LEU A . n A 1 116 ILE 116 116 116 ILE ILE A . n A 1 117 TRP 117 117 117 TRP TRP A . n A 1 118 ILE 118 118 118 ILE ILE A . n A 1 119 TYR 119 119 119 TYR TYR A . n A 1 120 GLY 120 120 120 GLY GLY A . n A 1 121 GLY 121 121 121 GLY GLY A . n A 1 122 GLY 122 122 122 GLY GLY A . n A 1 123 PHE 123 123 123 PHE PHE A . n A 1 124 TYR 124 124 124 TYR TYR A . n A 1 125 SER 125 125 125 SER SER A . n A 1 126 GLY 126 126 126 GLY GLY A . n A 1 127 ALA 127 127 127 ALA ALA A . n A 1 128 ALA 128 128 128 ALA ALA A . n A 1 129 SER 129 129 129 SER SER A . n A 1 130 LEU 130 130 130 LEU LEU A . n A 1 131 ASP 131 131 131 ASP ASP A . n A 1 132 VAL 132 132 132 VAL VAL A . n A 1 133 TYR 133 133 133 TYR TYR A . n A 1 134 ASP 134 134 134 ASP ASP A . n A 1 135 GLY 135 135 135 GLY GLY A . n A 1 136 ARG 136 136 136 ARG ARG A . n A 1 137 PHE 137 137 137 PHE PHE A . n A 1 138 LEU 138 138 138 LEU LEU A . n A 1 139 ALA 139 139 139 ALA ALA A . n A 1 140 GLN 140 140 140 GLN GLN A . n A 1 141 VAL 141 141 141 VAL VAL A . n A 1 142 GLU 142 142 142 GLU GLU A . n A 1 143 GLY 143 143 143 GLY GLY A . n A 1 144 ALA 144 144 144 ALA ALA A . n A 1 145 VAL 145 145 145 VAL VAL A . n A 1 146 LEU 146 146 146 LEU LEU A . n A 1 147 VAL 147 147 147 VAL VAL A . n A 1 148 SER 148 148 148 SER SER A . n A 1 149 MET 149 149 149 MET MET A . n A 1 150 ASN 150 150 150 ASN ASN A . n A 1 151 TYR 151 151 151 TYR TYR A . n A 1 152 ARG 152 152 152 ARG ARG A . n A 1 153 VAL 153 153 153 VAL VAL A . n A 1 154 GLY 154 154 154 GLY GLY A . n A 1 155 THR 155 155 155 THR THR A . n A 1 156 PHE 156 156 156 PHE PHE A . n A 1 157 GLY 157 157 157 GLY GLY A . n A 1 158 PHE 158 158 158 PHE PHE A . n A 1 159 LEU 159 159 159 LEU LEU A . n A 1 160 ALA 160 160 160 ALA ALA A . n A 1 161 LEU 161 161 161 LEU LEU A . n A 1 162 PRO 162 162 162 PRO PRO A . n A 1 163 GLY 163 163 163 GLY GLY A . n A 1 164 SER 164 164 164 SER SER A . n A 1 165 ARG 165 165 165 ARG ARG A . n A 1 166 GLU 166 166 166 GLU GLU A . n A 1 167 ALA 167 167 167 ALA ALA A . n A 1 168 PRO 168 168 168 PRO PRO A . n A 1 169 GLY 169 169 169 GLY GLY A . n A 1 170 ASN 170 170 170 ASN ASN A . n A 1 171 VAL 171 171 171 VAL VAL A . n A 1 172 GLY 172 172 172 GLY GLY A . n A 1 173 LEU 173 173 173 LEU LEU A . n A 1 174 LEU 174 174 174 LEU LEU A . n A 1 175 ASP 175 175 175 ASP ASP A . n A 1 176 GLN 176 176 176 GLN GLN A . n A 1 177 ARG 177 177 177 ARG ARG A . n A 1 178 LEU 178 178 178 LEU LEU A . n A 1 179 ALA 179 179 179 ALA ALA A . n A 1 180 LEU 180 180 180 LEU LEU A . n A 1 181 GLN 181 181 181 GLN GLN A . n A 1 182 TRP 182 182 182 TRP TRP A . n A 1 183 VAL 183 183 183 VAL VAL A . n A 1 184 GLN 184 184 184 GLN GLN A . n A 1 185 GLU 185 185 185 GLU GLU A . n A 1 186 ASN 186 186 186 ASN ASN A . n A 1 187 ILE 187 187 187 ILE ILE A . n A 1 188 ALA 188 188 188 ALA ALA A . n A 1 189 ALA 189 189 189 ALA ALA A . n A 1 190 PHE 190 190 190 PHE PHE A . n A 1 191 GLY 191 191 191 GLY GLY A . n A 1 192 GLY 192 192 192 GLY GLY A . n A 1 193 ASP 193 193 193 ASP ASP A . n A 1 194 PRO 194 194 194 PRO PRO A . n A 1 195 MET 195 195 195 MET MET A . n A 1 196 SER 196 196 196 SER SER A . n A 1 197 VAL 197 197 197 VAL VAL A . n A 1 198 THR 198 198 198 THR THR A . n A 1 199 LEU 199 199 199 LEU LEU A . n A 1 200 PHE 200 200 200 PHE PHE A . n A 1 201 GLY 201 201 201 GLY GLY A . n A 1 202 GLU 202 202 202 GLU GLU A . n A 1 203 SER 203 203 203 SER SER A . n A 1 204 ALA 204 204 204 ALA ALA A . n A 1 205 GLY 205 205 205 GLY GLY A . n A 1 206 ALA 206 206 206 ALA ALA A . n A 1 207 ALA 207 207 207 ALA ALA A . n A 1 208 SER 208 208 208 SER SER A . n A 1 209 VAL 209 209 209 VAL VAL A . n A 1 210 GLY 210 210 210 GLY GLY A . n A 1 211 MET 211 211 211 MET MET A . n A 1 212 HIS 212 212 212 HIS HIS A . n A 1 213 ILE 213 213 213 ILE ILE A . n A 1 214 LEU 214 214 214 LEU LEU A . n A 1 215 SER 215 215 215 SER SER A . n A 1 216 LEU 216 216 216 LEU LEU A . n A 1 217 PRO 217 217 217 PRO PRO A . n A 1 218 SER 218 218 218 SER SER A . n A 1 219 ARG 219 219 219 ARG ARG A . n A 1 220 SER 220 220 220 SER SER A . n A 1 221 LEU 221 221 221 LEU LEU A . n A 1 222 PHE 222 222 222 PHE PHE A . n A 1 223 HIS 223 223 223 HIS HIS A . n A 1 224 ARG 224 224 224 ARG ARG A . n A 1 225 ALA 225 225 225 ALA ALA A . n A 1 226 VAL 226 226 226 VAL VAL A . n A 1 227 LEU 227 227 227 LEU LEU A . n A 1 228 GLN 228 228 228 GLN GLN A . n A 1 229 SER 229 229 229 SER SER A . n A 1 230 GLY 230 230 230 GLY GLY A . n A 1 231 THR 231 231 231 THR THR A . n A 1 232 PRO 232 232 232 PRO PRO A . n A 1 233 ASN 233 233 233 ASN ASN A . n A 1 234 GLY 234 234 234 GLY GLY A . n A 1 235 PRO 235 235 235 PRO PRO A . n A 1 236 TRP 236 236 236 TRP TRP A . n A 1 237 ALA 237 237 237 ALA ALA A . n A 1 238 THR 238 238 238 THR THR A . n A 1 239 VAL 239 239 239 VAL VAL A . n A 1 240 SER 240 240 240 SER SER A . n A 1 241 ALA 241 241 241 ALA ALA A . n A 1 242 GLY 242 242 242 GLY GLY A . n A 1 243 GLU 243 243 243 GLU GLU A . n A 1 244 ALA 244 244 244 ALA ALA A . n A 1 245 ARG 245 245 245 ARG ARG A . n A 1 246 ARG 246 246 246 ARG ARG A . n A 1 247 ARG 247 247 247 ARG ARG A . n A 1 248 ALA 248 248 248 ALA ALA A . n A 1 249 THR 249 249 249 THR THR A . n A 1 250 LEU 250 250 250 LEU LEU A . n A 1 251 LEU 251 251 251 LEU LEU A . n A 1 252 ALA 252 252 252 ALA ALA A . n A 1 253 ARG 253 253 253 ARG ARG A . n A 1 254 LEU 254 254 254 LEU LEU A . n A 1 255 VAL 255 255 255 VAL VAL A . n A 1 256 GLY 256 256 256 GLY GLY A . n A 1 257 CYS 257 257 257 CYS CYS A . n A 1 258 PRO 258 258 258 PRO PRO A . n A 1 259 PRO 259 259 259 PRO PRO A . n A 1 260 GLY 260 260 ? ? ? A . n A 1 261 GLY 261 261 ? ? ? A . n A 1 262 ALA 262 262 ? ? ? A . n A 1 263 GLY 263 263 ? ? ? A . n A 1 264 GLY 264 264 ? ? ? A . n A 1 265 ASN 265 265 265 ASN ASN A . n A 1 266 ASP 266 266 266 ASP ASP A . n A 1 267 THR 267 267 267 THR THR A . n A 1 268 GLU 268 268 268 GLU GLU A . n A 1 269 LEU 269 269 269 LEU LEU A . n A 1 270 ILE 270 270 270 ILE ILE A . n A 1 271 ALA 271 271 271 ALA ALA A . n A 1 272 CYS 272 272 272 CYS CYS A . n A 1 273 LEU 273 273 273 LEU LEU A . n A 1 274 ARG 274 274 274 ARG ARG A . n A 1 275 THR 275 275 275 THR THR A . n A 1 276 ARG 276 276 276 ARG ARG A . n A 1 277 PRO 277 277 277 PRO PRO A . n A 1 278 ALA 278 278 278 ALA ALA A . n A 1 279 GLN 279 279 279 GLN GLN A . n A 1 280 ASP 280 280 280 ASP ASP A . n A 1 281 LEU 281 281 281 LEU LEU A . n A 1 282 VAL 282 282 282 VAL VAL A . n A 1 283 ASP 283 283 283 ASP ASP A . n A 1 284 HIS 284 284 284 HIS HIS A . n A 1 285 GLU 285 285 285 GLU GLU A . n A 1 286 TRP 286 286 286 TRP TRP A . n A 1 287 HIS 287 287 287 HIS HIS A . n A 1 288 VAL 288 288 288 VAL VAL A . n A 1 289 LEU 289 289 289 LEU LEU A . n A 1 290 PRO 290 290 290 PRO PRO A . n A 1 291 GLN 291 291 291 GLN GLN A . n A 1 292 GLU 292 292 292 GLU GLU A . n A 1 293 SER 293 293 293 SER SER A . n A 1 294 ILE 294 294 294 ILE ILE A . n A 1 295 PHE 295 295 295 PHE PHE A . n A 1 296 ARG 296 296 296 ARG ARG A . n A 1 297 PHE 297 297 297 PHE PHE A . n A 1 298 SER 298 298 298 SER SER A . n A 1 299 PHE 299 299 299 PHE PHE A . n A 1 300 VAL 300 300 300 VAL VAL A . n A 1 301 PRO 301 301 301 PRO PRO A . n A 1 302 VAL 302 302 302 VAL VAL A . n A 1 303 VAL 303 303 303 VAL VAL A . n A 1 304 ASP 304 304 304 ASP ASP A . n A 1 305 GLY 305 305 305 GLY GLY A . n A 1 306 ASP 306 306 306 ASP ASP A . n A 1 307 PHE 307 307 307 PHE PHE A . n A 1 308 LEU 308 308 308 LEU LEU A . n A 1 309 SER 309 309 309 SER SER A . n A 1 310 ASP 310 310 310 ASP ASP A . n A 1 311 THR 311 311 311 THR THR A . n A 1 312 PRO 312 312 312 PRO PRO A . n A 1 313 GLU 313 313 313 GLU GLU A . n A 1 314 ALA 314 314 314 ALA ALA A . n A 1 315 LEU 315 315 315 LEU LEU A . n A 1 316 ILE 316 316 316 ILE ILE A . n A 1 317 ASN 317 317 317 ASN ASN A . n A 1 318 THR 318 318 318 THR THR A . n A 1 319 GLY 319 319 319 GLY GLY A . n A 1 320 ASP 320 320 320 ASP ASP A . n A 1 321 PHE 321 321 321 PHE PHE A . n A 1 322 GLN 322 322 322 GLN GLN A . n A 1 323 ASP 323 323 323 ASP ASP A . n A 1 324 LEU 324 324 324 LEU LEU A . n A 1 325 GLN 325 325 325 GLN GLN A . n A 1 326 VAL 326 326 326 VAL VAL A . n A 1 327 LEU 327 327 327 LEU LEU A . n A 1 328 VAL 328 328 328 VAL VAL A . n A 1 329 GLY 329 329 329 GLY GLY A . n A 1 330 VAL 330 330 330 VAL VAL A . n A 1 331 VAL 331 331 331 VAL VAL A . n A 1 332 LYS 332 332 332 LYS LYS A . n A 1 333 ASP 333 333 333 ASP ASP A . n A 1 334 GLU 334 334 334 GLU GLU A . n A 1 335 GLY 335 335 335 GLY GLY A . n A 1 336 SER 336 336 336 SER SER A . n A 1 337 TYR 337 337 337 TYR TYR A . n A 1 338 PHE 338 338 338 PHE PHE A . n A 1 339 LEU 339 339 339 LEU LEU A . n A 1 340 VAL 340 340 340 VAL VAL A . n A 1 341 TYR 341 341 341 TYR ALA A . n A 1 342 GLY 342 342 342 GLY GLY A . n A 1 343 VAL 343 343 343 VAL VAL A . n A 1 344 PRO 344 344 344 PRO PRO A . n A 1 345 GLY 345 345 345 GLY GLY A . n A 1 346 PHE 346 346 346 PHE PHE A . n A 1 347 SER 347 347 347 SER SER A . n A 1 348 LYS 348 348 348 LYS LYS A . n A 1 349 ASP 349 349 349 ASP ASP A . n A 1 350 ASN 350 350 350 ASN ASN A . n A 1 351 GLU 351 351 351 GLU GLU A . n A 1 352 SER 352 352 352 SER SER A . n A 1 353 LEU 353 353 353 LEU LEU A . n A 1 354 ILE 354 354 354 ILE ILE A . n A 1 355 SER 355 355 355 SER SER A . n A 1 356 ARG 356 356 356 ARG ARG A . n A 1 357 ALA 357 357 357 ALA ALA A . n A 1 358 GLN 358 358 358 GLN GLN A . n A 1 359 PHE 359 359 359 PHE PHE A . n A 1 360 LEU 360 360 360 LEU LEU A . n A 1 361 ALA 361 361 361 ALA ALA A . n A 1 362 GLY 362 362 362 GLY GLY A . n A 1 363 VAL 363 363 363 VAL VAL A . n A 1 364 ARG 364 364 364 ARG ARG A . n A 1 365 ILE 365 365 365 ILE ILE A . n A 1 366 GLY 366 366 366 GLY GLY A . n A 1 367 VAL 367 367 367 VAL VAL A . n A 1 368 PRO 368 368 368 PRO PRO A . n A 1 369 GLN 369 369 369 GLN GLN A . n A 1 370 ALA 370 370 370 ALA ALA A . n A 1 371 SER 371 371 371 SER SER A . n A 1 372 ASP 372 372 372 ASP ASP A . n A 1 373 LEU 373 373 373 LEU LEU A . n A 1 374 ALA 374 374 374 ALA ALA A . n A 1 375 ALA 375 375 375 ALA ALA A . n A 1 376 GLU 376 376 376 GLU GLU A . n A 1 377 ALA 377 377 377 ALA ALA A . n A 1 378 VAL 378 378 378 VAL VAL A . n A 1 379 VAL 379 379 379 VAL VAL A . n A 1 380 LEU 380 380 380 LEU LEU A . n A 1 381 HIS 381 381 381 HIS HIS A . n A 1 382 TYR 382 382 382 TYR TYR A . n A 1 383 THR 383 383 383 THR THR A . n A 1 384 ASP 384 384 384 ASP ASP A . n A 1 385 TRP 385 385 385 TRP TRP A . n A 1 386 LEU 386 386 386 LEU LEU A . n A 1 387 HIS 387 387 387 HIS HIS A . n A 1 388 PRO 388 388 388 PRO PRO A . n A 1 389 GLU 389 389 389 GLU GLU A . n A 1 390 ASP 390 390 390 ASP ASP A . n A 1 391 PRO 391 391 391 PRO PRO A . n A 1 392 THR 392 392 392 THR THR A . n A 1 393 HIS 393 393 393 HIS HIS A . n A 1 394 LEU 394 394 394 LEU LEU A . n A 1 395 ARG 395 395 395 ARG ARG A . n A 1 396 ASP 396 396 396 ASP ASP A . n A 1 397 ALA 397 397 397 ALA ALA A . n A 1 398 MET 398 398 398 MET MET A . n A 1 399 SER 399 399 399 SER SER A . n A 1 400 ALA 400 400 400 ALA ALA A . n A 1 401 VAL 401 401 401 VAL VAL A . n A 1 402 VAL 402 402 402 VAL VAL A . n A 1 403 GLY 403 403 403 GLY GLY A . n A 1 404 ASP 404 404 404 ASP ASP A . n A 1 405 HIS 405 405 405 HIS HIS A . n A 1 406 ASN 406 406 406 ASN ASN A . n A 1 407 VAL 407 407 407 VAL VAL A . n A 1 408 VAL 408 408 408 VAL VAL A . n A 1 409 CYS 409 409 409 CYS CYS A . n A 1 410 PRO 410 410 410 PRO PRO A . n A 1 411 VAL 411 411 411 VAL VAL A . n A 1 412 ALA 412 412 412 ALA ALA A . n A 1 413 GLN 413 413 413 GLN GLN A . n A 1 414 LEU 414 414 414 LEU LEU A . n A 1 415 ALA 415 415 415 ALA ALA A . n A 1 416 GLY 416 416 416 GLY GLY A . n A 1 417 ARG 417 417 417 ARG ARG A . n A 1 418 LEU 418 418 418 LEU LEU A . n A 1 419 ALA 419 419 419 ALA ALA A . n A 1 420 ALA 420 420 420 ALA ALA A . n A 1 421 GLN 421 421 421 GLN GLN A . n A 1 422 GLY 422 422 422 GLY GLY A . n A 1 423 ALA 423 423 423 ALA ALA A . n A 1 424 ARG 424 424 424 ARG ARG A . n A 1 425 VAL 425 425 425 VAL VAL A . n A 1 426 TYR 426 426 426 TYR TYR A . n A 1 427 ALA 427 427 427 ALA ALA A . n A 1 428 TYR 428 428 428 TYR TYR A . n A 1 429 ILE 429 429 429 ILE ILE A . n A 1 430 PHE 430 430 430 PHE PHE A . n A 1 431 GLU 431 431 431 GLU GLU A . n A 1 432 HIS 432 432 432 HIS HIS A . n A 1 433 ARG 433 433 433 ARG ARG A . n A 1 434 ALA 434 434 434 ALA ALA A . n A 1 435 SER 435 435 435 SER SER A . n A 1 436 THR 436 436 436 THR THR A . n A 1 437 LEU 437 437 437 LEU LEU A . n A 1 438 THR 438 438 438 THR THR A . n A 1 439 TRP 439 439 439 TRP TRP A . n A 1 440 PRO 440 440 440 PRO PRO A . n A 1 441 LEU 441 441 441 LEU LEU A . n A 1 442 TRP 442 442 442 TRP TRP A . n A 1 443 MET 443 443 443 MET MET A . n A 1 444 GLY 444 444 444 GLY GLY A . n A 1 445 VAL 445 445 445 VAL VAL A . n A 1 446 PRO 446 446 446 PRO PRO A . n A 1 447 HIS 447 447 447 HIS HIS A . n A 1 448 GLY 448 448 448 GLY GLY A . n A 1 449 TYR 449 449 449 TYR TYR A . n A 1 450 GLU 450 450 450 GLU GLU A . n A 1 451 ILE 451 451 451 ILE ILE A . n A 1 452 GLU 452 452 452 GLU GLU A . n A 1 453 PHE 453 453 453 PHE PHE A . n A 1 454 ILE 454 454 454 ILE ILE A . n A 1 455 PHE 455 455 455 PHE PHE A . n A 1 456 GLY 456 456 456 GLY GLY A . n A 1 457 LEU 457 457 457 LEU LEU A . n A 1 458 PRO 458 458 458 PRO PRO A . n A 1 459 LEU 459 459 459 LEU LEU A . n A 1 460 ASP 460 460 460 ASP ASP A . n A 1 461 PRO 461 461 461 PRO PRO A . n A 1 462 SER 462 462 462 SER SER A . n A 1 463 LEU 463 463 463 LEU LEU A . n A 1 464 ASN 464 464 464 ASN ASN A . n A 1 465 TYR 465 465 465 TYR TYR A . n A 1 466 THR 466 466 466 THR THR A . n A 1 467 THR 467 467 467 THR THR A . n A 1 468 GLU 468 468 468 GLU GLU A . n A 1 469 GLU 469 469 469 GLU GLU A . n A 1 470 ARG 470 470 470 ARG ARG A . n A 1 471 ILE 471 471 471 ILE ILE A . n A 1 472 PHE 472 472 472 PHE PHE A . n A 1 473 ALA 473 473 473 ALA ALA A . n A 1 474 GLN 474 474 474 GLN GLN A . n A 1 475 ARG 475 475 475 ARG ARG A . n A 1 476 LEU 476 476 476 LEU LEU A . n A 1 477 MET 477 477 477 MET MET A . n A 1 478 LYS 478 478 478 LYS LYS A . n A 1 479 TYR 479 479 479 TYR TYR A . n A 1 480 TRP 480 480 480 TRP TRP A . n A 1 481 THR 481 481 481 THR THR A . n A 1 482 ASN 482 482 482 ASN ASN A . n A 1 483 PHE 483 483 483 PHE PHE A . n A 1 484 ALA 484 484 484 ALA ALA A . n A 1 485 ARG 485 485 485 ARG ARG A . n A 1 486 THR 486 486 486 THR THR A . n A 1 487 GLY 487 487 487 GLY GLY A . n A 1 488 ASP 488 488 488 ASP ASP A . n A 1 489 PRO 489 489 489 PRO PRO A . n A 1 490 ASN 490 490 490 ASN ASN A . n A 1 491 ASP 491 491 491 ASP ASP A . n A 1 492 PRO 492 492 492 PRO PRO A . n A 1 493 ARG 493 493 493 ARG ARG A . n A 1 494 ASP 494 494 494 ASP ASP A . n A 1 495 SER 495 495 495 SER SER A . n A 1 496 LYS 496 496 496 LYS LYS A . n A 1 497 SER 497 497 497 SER SER A . n A 1 498 PRO 498 498 498 PRO PRO A . n A 1 499 GLN 499 499 499 GLN GLN A . n A 1 500 TRP 500 500 500 TRP TRP A . n A 1 501 PRO 501 501 501 PRO PRO A . n A 1 502 PRO 502 502 502 PRO PRO A . n A 1 503 TYR 503 503 503 TYR TYR A . n A 1 504 THR 504 504 504 THR THR A . n A 1 505 THR 505 505 505 THR THR A . n A 1 506 ALA 506 506 506 ALA ALA A . n A 1 507 ALA 507 507 507 ALA ALA A . n A 1 508 GLN 508 508 508 GLN GLN A . n A 1 509 GLN 509 509 509 GLN GLN A . n A 1 510 TYR 510 510 510 TYR TYR A . n A 1 511 VAL 511 511 511 VAL VAL A . n A 1 512 SER 512 512 512 SER SER A . n A 1 513 LEU 513 513 513 LEU LEU A . n A 1 514 ASN 514 514 514 ASN ASN A . n A 1 515 LEU 515 515 515 LEU LEU A . n A 1 516 LYS 516 516 516 LYS LYS A . n A 1 517 PRO 517 517 517 PRO PRO A . n A 1 518 LEU 518 518 518 LEU LEU A . n A 1 519 GLU 519 519 519 GLU GLU A . n A 1 520 VAL 520 520 520 VAL VAL A . n A 1 521 ARG 521 521 521 ARG ARG A . n A 1 522 ARG 522 522 522 ARG ARG A . n A 1 523 GLY 523 523 523 GLY GLY A . n A 1 524 LEU 524 524 524 LEU LEU A . n A 1 525 ARG 525 525 525 ARG ARG A . n A 1 526 ALA 526 526 526 ALA ALA A . n A 1 527 GLN 527 527 527 GLN GLN A . n A 1 528 THR 528 528 528 THR THR A . n A 1 529 CYS 529 529 529 CYS CYS A . n A 1 530 ALA 530 530 530 ALA ALA A . n A 1 531 PHE 531 531 531 PHE PHE A . n A 1 532 TRP 532 532 532 TRP TRP A . n A 1 533 ASN 533 533 533 ASN ASN A . n A 1 534 ARG 534 534 534 ARG ARG A . n A 1 535 PHE 535 535 535 PHE PHE A . n A 1 536 LEU 536 536 536 LEU LEU A . n A 1 537 PRO 537 537 537 PRO PRO A . n A 1 538 LYS 538 538 538 LYS LYS A . n A 1 539 LEU 539 539 539 LEU LEU A . n A 1 540 LEU 540 540 540 LEU LEU A . n A 1 541 SER 541 541 541 SER SER A . n A 1 542 ALA 542 542 542 ALA ALA A . n A 1 543 THR 543 543 543 THR ALA A . n B 1 1 GLU 1 1 ? ? ? B . n B 1 2 GLY 2 2 ? ? ? B . n B 1 3 ARG 3 3 3 ARG ALA B . n B 1 4 GLU 4 4 4 GLU GLU B . n B 1 5 ASP 5 5 5 ASP ASP B . n B 1 6 PRO 6 6 6 PRO PRO B . n B 1 7 GLN 7 7 7 GLN GLN B . n B 1 8 LEU 8 8 8 LEU LEU B . n B 1 9 LEU 9 9 9 LEU LEU B . n B 1 10 VAL 10 10 10 VAL VAL B . n B 1 11 ARG 11 11 11 ARG ARG B . n B 1 12 VAL 12 12 12 VAL VAL B . n B 1 13 ARG 13 13 13 ARG ARG B . n B 1 14 GLY 14 14 14 GLY GLY B . n B 1 15 GLY 15 15 15 GLY GLY B . n B 1 16 GLN 16 16 16 GLN GLN B . n B 1 17 LEU 17 17 17 LEU LEU B . n B 1 18 ARG 18 18 18 ARG ARG B . n B 1 19 GLY 19 19 19 GLY GLY B . n B 1 20 ILE 20 20 20 ILE ILE B . n B 1 21 ARG 21 21 21 ARG ARG B . n B 1 22 LEU 22 22 22 LEU LEU B . n B 1 23 LYS 23 23 23 LYS LYS B . n B 1 24 ALA 24 24 24 ALA ALA B . n B 1 25 PRO 25 25 25 PRO PRO B . n B 1 26 GLY 26 26 26 GLY GLY B . n B 1 27 GLY 27 27 27 GLY GLY B . n B 1 28 PRO 28 28 28 PRO PRO B . n B 1 29 VAL 29 29 29 VAL VAL B . n B 1 30 SER 30 30 30 SER SER B . n B 1 31 ALA 31 31 31 ALA ALA B . n B 1 32 PHE 32 32 32 PHE PHE B . n B 1 33 LEU 33 33 33 LEU LEU B . n B 1 34 GLY 34 34 34 GLY GLY B . n B 1 35 ILE 35 35 35 ILE ILE B . n B 1 36 PRO 36 36 36 PRO PRO B . n B 1 37 PHE 37 37 37 PHE PHE B . n B 1 38 ALA 38 38 38 ALA ALA B . n B 1 39 GLU 39 39 39 GLU GLU B . n B 1 40 PRO 40 40 40 PRO PRO B . n B 1 41 PRO 41 41 41 PRO PRO B . n B 1 42 VAL 42 42 42 VAL VAL B . n B 1 43 GLY 43 43 43 GLY GLY B . n B 1 44 SER 44 44 44 SER SER B . n B 1 45 ARG 45 45 45 ARG ARG B . n B 1 46 ARG 46 46 46 ARG ARG B . n B 1 47 PHE 47 47 47 PHE PHE B . n B 1 48 MET 48 48 48 MET MET B . n B 1 49 PRO 49 49 49 PRO PRO B . n B 1 50 PRO 50 50 50 PRO PRO B . n B 1 51 GLU 51 51 51 GLU GLU B . n B 1 52 PRO 52 52 52 PRO PRO B . n B 1 53 LYS 53 53 53 LYS LYS B . n B 1 54 ARG 54 54 54 ARG ARG B . n B 1 55 PRO 55 55 55 PRO PRO B . n B 1 56 TRP 56 56 56 TRP TRP B . n B 1 57 SER 57 57 57 SER SER B . n B 1 58 GLY 58 58 58 GLY GLY B . n B 1 59 VAL 59 59 59 VAL VAL B . n B 1 60 LEU 60 60 60 LEU LEU B . n B 1 61 ASP 61 61 61 ASP ASP B . n B 1 62 ALA 62 62 62 ALA ALA B . n B 1 63 THR 63 63 63 THR THR B . n B 1 64 THR 64 64 64 THR THR B . n B 1 65 PHE 65 65 65 PHE PHE B . n B 1 66 GLN 66 66 66 GLN GLN B . n B 1 67 ASN 67 67 67 ASN ASN B . n B 1 68 VAL 68 68 68 VAL VAL B . n B 1 69 CYS 69 69 69 CYS CYS B . n B 1 70 TYR 70 70 70 TYR TYR B . n B 1 71 GLN 71 71 71 GLN GLN B . n B 1 72 TYR 72 72 72 TYR TYR B . n B 1 73 VAL 73 73 73 VAL VAL B . n B 1 74 ASP 74 74 74 ASP ASP B . n B 1 75 THR 75 75 75 THR THR B . n B 1 76 LEU 76 76 76 LEU LEU B . n B 1 77 TYR 77 77 77 TYR TYR B . n B 1 78 PRO 78 78 78 PRO PRO B . n B 1 79 GLY 79 79 79 GLY GLY B . n B 1 80 PHE 80 80 80 PHE PHE B . n B 1 81 GLU 81 81 81 GLU GLU B . n B 1 82 GLY 82 82 82 GLY GLY B . n B 1 83 THR 83 83 83 THR THR B . n B 1 84 GLU 84 84 84 GLU GLU B . n B 1 85 MET 85 85 85 MET MET B . n B 1 86 TRP 86 86 86 TRP TRP B . n B 1 87 ASN 87 87 87 ASN ASN B . n B 1 88 PRO 88 88 88 PRO PRO B . n B 1 89 ASN 89 89 89 ASN ASN B . n B 1 90 ARG 90 90 90 ARG ARG B . n B 1 91 GLU 91 91 91 GLU GLU B . n B 1 92 LEU 92 92 92 LEU LEU B . n B 1 93 SER 93 93 93 SER SER B . n B 1 94 GLU 94 94 94 GLU GLU B . n B 1 95 ASP 95 95 95 ASP ASP B . n B 1 96 CYS 96 96 96 CYS CYS B . n B 1 97 LEU 97 97 97 LEU LEU B . n B 1 98 TYR 98 98 98 TYR TYR B . n B 1 99 LEU 99 99 99 LEU LEU B . n B 1 100 ASN 100 100 100 ASN ASN B . n B 1 101 VAL 101 101 101 VAL VAL B . n B 1 102 TRP 102 102 102 TRP TRP B . n B 1 103 THR 103 103 103 THR THR B . n B 1 104 PRO 104 104 104 PRO PRO B . n B 1 105 TYR 105 105 105 TYR TYR B . n B 1 106 PRO 106 106 106 PRO PRO B . n B 1 107 ARG 107 107 107 ARG ARG B . n B 1 108 PRO 108 108 108 PRO PRO B . n B 1 109 ALA 109 109 109 ALA ALA B . n B 1 110 SER 110 110 110 SER SER B . n B 1 111 PRO 111 111 111 PRO PRO B . n B 1 112 THR 112 112 112 THR THR B . n B 1 113 PRO 113 113 113 PRO PRO B . n B 1 114 VAL 114 114 114 VAL VAL B . n B 1 115 LEU 115 115 115 LEU LEU B . n B 1 116 ILE 116 116 116 ILE ILE B . n B 1 117 TRP 117 117 117 TRP TRP B . n B 1 118 ILE 118 118 118 ILE ILE B . n B 1 119 TYR 119 119 119 TYR TYR B . n B 1 120 GLY 120 120 120 GLY GLY B . n B 1 121 GLY 121 121 121 GLY GLY B . n B 1 122 GLY 122 122 122 GLY GLY B . n B 1 123 PHE 123 123 123 PHE PHE B . n B 1 124 TYR 124 124 124 TYR TYR B . n B 1 125 SER 125 125 125 SER SER B . n B 1 126 GLY 126 126 126 GLY GLY B . n B 1 127 ALA 127 127 127 ALA ALA B . n B 1 128 ALA 128 128 128 ALA ALA B . n B 1 129 SER 129 129 129 SER SER B . n B 1 130 LEU 130 130 130 LEU LEU B . n B 1 131 ASP 131 131 131 ASP ASP B . n B 1 132 VAL 132 132 132 VAL VAL B . n B 1 133 TYR 133 133 133 TYR TYR B . n B 1 134 ASP 134 134 134 ASP ASP B . n B 1 135 GLY 135 135 135 GLY GLY B . n B 1 136 ARG 136 136 136 ARG ARG B . n B 1 137 PHE 137 137 137 PHE PHE B . n B 1 138 LEU 138 138 138 LEU LEU B . n B 1 139 ALA 139 139 139 ALA ALA B . n B 1 140 GLN 140 140 140 GLN GLN B . n B 1 141 VAL 141 141 141 VAL VAL B . n B 1 142 GLU 142 142 142 GLU GLU B . n B 1 143 GLY 143 143 143 GLY GLY B . n B 1 144 ALA 144 144 144 ALA ALA B . n B 1 145 VAL 145 145 145 VAL VAL B . n B 1 146 LEU 146 146 146 LEU LEU B . n B 1 147 VAL 147 147 147 VAL VAL B . n B 1 148 SER 148 148 148 SER SER B . n B 1 149 MET 149 149 149 MET MET B . n B 1 150 ASN 150 150 150 ASN ASN B . n B 1 151 TYR 151 151 151 TYR TYR B . n B 1 152 ARG 152 152 152 ARG ARG B . n B 1 153 VAL 153 153 153 VAL VAL B . n B 1 154 GLY 154 154 154 GLY GLY B . n B 1 155 THR 155 155 155 THR THR B . n B 1 156 PHE 156 156 156 PHE PHE B . n B 1 157 GLY 157 157 157 GLY GLY B . n B 1 158 PHE 158 158 158 PHE PHE B . n B 1 159 LEU 159 159 159 LEU LEU B . n B 1 160 ALA 160 160 160 ALA ALA B . n B 1 161 LEU 161 161 161 LEU LEU B . n B 1 162 PRO 162 162 162 PRO PRO B . n B 1 163 GLY 163 163 163 GLY GLY B . n B 1 164 SER 164 164 164 SER SER B . n B 1 165 ARG 165 165 165 ARG ARG B . n B 1 166 GLU 166 166 166 GLU GLU B . n B 1 167 ALA 167 167 167 ALA ALA B . n B 1 168 PRO 168 168 168 PRO PRO B . n B 1 169 GLY 169 169 169 GLY GLY B . n B 1 170 ASN 170 170 170 ASN ASN B . n B 1 171 VAL 171 171 171 VAL VAL B . n B 1 172 GLY 172 172 172 GLY GLY B . n B 1 173 LEU 173 173 173 LEU LEU B . n B 1 174 LEU 174 174 174 LEU LEU B . n B 1 175 ASP 175 175 175 ASP ASP B . n B 1 176 GLN 176 176 176 GLN GLN B . n B 1 177 ARG 177 177 177 ARG ARG B . n B 1 178 LEU 178 178 178 LEU LEU B . n B 1 179 ALA 179 179 179 ALA ALA B . n B 1 180 LEU 180 180 180 LEU LEU B . n B 1 181 GLN 181 181 181 GLN GLN B . n B 1 182 TRP 182 182 182 TRP TRP B . n B 1 183 VAL 183 183 183 VAL VAL B . n B 1 184 GLN 184 184 184 GLN GLN B . n B 1 185 GLU 185 185 185 GLU GLU B . n B 1 186 ASN 186 186 186 ASN ASN B . n B 1 187 ILE 187 187 187 ILE ILE B . n B 1 188 ALA 188 188 188 ALA ALA B . n B 1 189 ALA 189 189 189 ALA ALA B . n B 1 190 PHE 190 190 190 PHE PHE B . n B 1 191 GLY 191 191 191 GLY GLY B . n B 1 192 GLY 192 192 192 GLY GLY B . n B 1 193 ASP 193 193 193 ASP ASP B . n B 1 194 PRO 194 194 194 PRO PRO B . n B 1 195 MET 195 195 195 MET MET B . n B 1 196 SER 196 196 196 SER SER B . n B 1 197 VAL 197 197 197 VAL VAL B . n B 1 198 THR 198 198 198 THR THR B . n B 1 199 LEU 199 199 199 LEU LEU B . n B 1 200 PHE 200 200 200 PHE PHE B . n B 1 201 GLY 201 201 201 GLY GLY B . n B 1 202 GLU 202 202 202 GLU GLU B . n B 1 203 SER 203 203 203 SER SER B . n B 1 204 ALA 204 204 204 ALA ALA B . n B 1 205 GLY 205 205 205 GLY GLY B . n B 1 206 ALA 206 206 206 ALA ALA B . n B 1 207 ALA 207 207 207 ALA ALA B . n B 1 208 SER 208 208 208 SER SER B . n B 1 209 VAL 209 209 209 VAL VAL B . n B 1 210 GLY 210 210 210 GLY GLY B . n B 1 211 MET 211 211 211 MET MET B . n B 1 212 HIS 212 212 212 HIS HIS B . n B 1 213 ILE 213 213 213 ILE ILE B . n B 1 214 LEU 214 214 214 LEU LEU B . n B 1 215 SER 215 215 215 SER SER B . n B 1 216 LEU 216 216 216 LEU LEU B . n B 1 217 PRO 217 217 217 PRO PRO B . n B 1 218 SER 218 218 218 SER SER B . n B 1 219 ARG 219 219 219 ARG ARG B . n B 1 220 SER 220 220 220 SER SER B . n B 1 221 LEU 221 221 221 LEU LEU B . n B 1 222 PHE 222 222 222 PHE PHE B . n B 1 223 HIS 223 223 223 HIS HIS B . n B 1 224 ARG 224 224 224 ARG ARG B . n B 1 225 ALA 225 225 225 ALA ALA B . n B 1 226 VAL 226 226 226 VAL VAL B . n B 1 227 LEU 227 227 227 LEU LEU B . n B 1 228 GLN 228 228 228 GLN GLN B . n B 1 229 SER 229 229 229 SER SER B . n B 1 230 GLY 230 230 230 GLY GLY B . n B 1 231 THR 231 231 231 THR THR B . n B 1 232 PRO 232 232 232 PRO PRO B . n B 1 233 ASN 233 233 233 ASN ASN B . n B 1 234 GLY 234 234 234 GLY GLY B . n B 1 235 PRO 235 235 235 PRO PRO B . n B 1 236 TRP 236 236 236 TRP TRP B . n B 1 237 ALA 237 237 237 ALA ALA B . n B 1 238 THR 238 238 238 THR THR B . n B 1 239 VAL 239 239 239 VAL VAL B . n B 1 240 SER 240 240 240 SER SER B . n B 1 241 ALA 241 241 241 ALA ALA B . n B 1 242 GLY 242 242 242 GLY GLY B . n B 1 243 GLU 243 243 243 GLU GLU B . n B 1 244 ALA 244 244 244 ALA ALA B . n B 1 245 ARG 245 245 245 ARG ARG B . n B 1 246 ARG 246 246 246 ARG ARG B . n B 1 247 ARG 247 247 247 ARG ARG B . n B 1 248 ALA 248 248 248 ALA ALA B . n B 1 249 THR 249 249 249 THR THR B . n B 1 250 LEU 250 250 250 LEU LEU B . n B 1 251 LEU 251 251 251 LEU LEU B . n B 1 252 ALA 252 252 252 ALA ALA B . n B 1 253 ARG 253 253 253 ARG ARG B . n B 1 254 LEU 254 254 254 LEU LEU B . n B 1 255 VAL 255 255 255 VAL VAL B . n B 1 256 GLY 256 256 256 GLY GLY B . n B 1 257 CYS 257 257 257 CYS CYS B . n B 1 258 PRO 258 258 258 PRO PRO B . n B 1 259 PRO 259 259 ? ? ? B . n B 1 260 GLY 260 260 ? ? ? B . n B 1 261 GLY 261 261 ? ? ? B . n B 1 262 ALA 262 262 ? ? ? B . n B 1 263 GLY 263 263 ? ? ? B . n B 1 264 GLY 264 264 264 GLY ALA B . n B 1 265 ASN 265 265 265 ASN ASN B . n B 1 266 ASP 266 266 266 ASP ASP B . n B 1 267 THR 267 267 267 THR THR B . n B 1 268 GLU 268 268 268 GLU GLU B . n B 1 269 LEU 269 269 269 LEU LEU B . n B 1 270 ILE 270 270 270 ILE ILE B . n B 1 271 ALA 271 271 271 ALA ALA B . n B 1 272 CYS 272 272 272 CYS CYS B . n B 1 273 LEU 273 273 273 LEU LEU B . n B 1 274 ARG 274 274 274 ARG ARG B . n B 1 275 THR 275 275 275 THR THR B . n B 1 276 ARG 276 276 276 ARG ARG B . n B 1 277 PRO 277 277 277 PRO PRO B . n B 1 278 ALA 278 278 278 ALA ALA B . n B 1 279 GLN 279 279 279 GLN GLN B . n B 1 280 ASP 280 280 280 ASP ASP B . n B 1 281 LEU 281 281 281 LEU LEU B . n B 1 282 VAL 282 282 282 VAL VAL B . n B 1 283 ASP 283 283 283 ASP ASP B . n B 1 284 HIS 284 284 284 HIS HIS B . n B 1 285 GLU 285 285 285 GLU GLU B . n B 1 286 TRP 286 286 286 TRP TRP B . n B 1 287 HIS 287 287 287 HIS HIS B . n B 1 288 VAL 288 288 288 VAL VAL B . n B 1 289 LEU 289 289 289 LEU LEU B . n B 1 290 PRO 290 290 290 PRO PRO B . n B 1 291 GLN 291 291 291 GLN GLN B . n B 1 292 GLU 292 292 292 GLU GLU B . n B 1 293 SER 293 293 293 SER SER B . n B 1 294 ILE 294 294 294 ILE ILE B . n B 1 295 PHE 295 295 295 PHE PHE B . n B 1 296 ARG 296 296 296 ARG ARG B . n B 1 297 PHE 297 297 297 PHE PHE B . n B 1 298 SER 298 298 298 SER SER B . n B 1 299 PHE 299 299 299 PHE PHE B . n B 1 300 VAL 300 300 300 VAL VAL B . n B 1 301 PRO 301 301 301 PRO PRO B . n B 1 302 VAL 302 302 302 VAL VAL B . n B 1 303 VAL 303 303 303 VAL VAL B . n B 1 304 ASP 304 304 304 ASP ASP B . n B 1 305 GLY 305 305 305 GLY GLY B . n B 1 306 ASP 306 306 306 ASP ASP B . n B 1 307 PHE 307 307 307 PHE PHE B . n B 1 308 LEU 308 308 308 LEU LEU B . n B 1 309 SER 309 309 309 SER SER B . n B 1 310 ASP 310 310 310 ASP ASP B . n B 1 311 THR 311 311 311 THR THR B . n B 1 312 PRO 312 312 312 PRO PRO B . n B 1 313 GLU 313 313 313 GLU GLU B . n B 1 314 ALA 314 314 314 ALA ALA B . n B 1 315 LEU 315 315 315 LEU LEU B . n B 1 316 ILE 316 316 316 ILE ILE B . n B 1 317 ASN 317 317 317 ASN ASN B . n B 1 318 THR 318 318 318 THR THR B . n B 1 319 GLY 319 319 319 GLY GLY B . n B 1 320 ASP 320 320 320 ASP ASP B . n B 1 321 PHE 321 321 321 PHE PHE B . n B 1 322 GLN 322 322 322 GLN GLN B . n B 1 323 ASP 323 323 323 ASP ASP B . n B 1 324 LEU 324 324 324 LEU LEU B . n B 1 325 GLN 325 325 325 GLN GLN B . n B 1 326 VAL 326 326 326 VAL VAL B . n B 1 327 LEU 327 327 327 LEU LEU B . n B 1 328 VAL 328 328 328 VAL VAL B . n B 1 329 GLY 329 329 329 GLY GLY B . n B 1 330 VAL 330 330 330 VAL VAL B . n B 1 331 VAL 331 331 331 VAL VAL B . n B 1 332 LYS 332 332 332 LYS LYS B . n B 1 333 ASP 333 333 333 ASP ASP B . n B 1 334 GLU 334 334 334 GLU GLU B . n B 1 335 GLY 335 335 335 GLY GLY B . n B 1 336 SER 336 336 336 SER SER B . n B 1 337 TYR 337 337 337 TYR TYR B . n B 1 338 PHE 338 338 338 PHE PHE B . n B 1 339 LEU 339 339 339 LEU LEU B . n B 1 340 VAL 340 340 340 VAL VAL B . n B 1 341 TYR 341 341 341 TYR ALA B . n B 1 342 GLY 342 342 342 GLY GLY B . n B 1 343 VAL 343 343 343 VAL VAL B . n B 1 344 PRO 344 344 344 PRO PRO B . n B 1 345 GLY 345 345 345 GLY GLY B . n B 1 346 PHE 346 346 346 PHE PHE B . n B 1 347 SER 347 347 347 SER SER B . n B 1 348 LYS 348 348 348 LYS LYS B . n B 1 349 ASP 349 349 349 ASP ASP B . n B 1 350 ASN 350 350 350 ASN ASN B . n B 1 351 GLU 351 351 351 GLU GLU B . n B 1 352 SER 352 352 352 SER SER B . n B 1 353 LEU 353 353 353 LEU LEU B . n B 1 354 ILE 354 354 354 ILE ILE B . n B 1 355 SER 355 355 355 SER SER B . n B 1 356 ARG 356 356 356 ARG ARG B . n B 1 357 ALA 357 357 357 ALA ALA B . n B 1 358 GLN 358 358 358 GLN GLN B . n B 1 359 PHE 359 359 359 PHE PHE B . n B 1 360 LEU 360 360 360 LEU LEU B . n B 1 361 ALA 361 361 361 ALA ALA B . n B 1 362 GLY 362 362 362 GLY GLY B . n B 1 363 VAL 363 363 363 VAL VAL B . n B 1 364 ARG 364 364 364 ARG ARG B . n B 1 365 ILE 365 365 365 ILE ILE B . n B 1 366 GLY 366 366 366 GLY GLY B . n B 1 367 VAL 367 367 367 VAL VAL B . n B 1 368 PRO 368 368 368 PRO PRO B . n B 1 369 GLN 369 369 369 GLN GLN B . n B 1 370 ALA 370 370 370 ALA ALA B . n B 1 371 SER 371 371 371 SER SER B . n B 1 372 ASP 372 372 372 ASP ASP B . n B 1 373 LEU 373 373 373 LEU LEU B . n B 1 374 ALA 374 374 374 ALA ALA B . n B 1 375 ALA 375 375 375 ALA ALA B . n B 1 376 GLU 376 376 376 GLU GLU B . n B 1 377 ALA 377 377 377 ALA ALA B . n B 1 378 VAL 378 378 378 VAL VAL B . n B 1 379 VAL 379 379 379 VAL VAL B . n B 1 380 LEU 380 380 380 LEU LEU B . n B 1 381 HIS 381 381 381 HIS HIS B . n B 1 382 TYR 382 382 382 TYR TYR B . n B 1 383 THR 383 383 383 THR THR B . n B 1 384 ASP 384 384 384 ASP ASP B . n B 1 385 TRP 385 385 385 TRP TRP B . n B 1 386 LEU 386 386 386 LEU LEU B . n B 1 387 HIS 387 387 387 HIS HIS B . n B 1 388 PRO 388 388 388 PRO PRO B . n B 1 389 GLU 389 389 389 GLU GLU B . n B 1 390 ASP 390 390 390 ASP ASP B . n B 1 391 PRO 391 391 391 PRO PRO B . n B 1 392 THR 392 392 392 THR THR B . n B 1 393 HIS 393 393 393 HIS HIS B . n B 1 394 LEU 394 394 394 LEU LEU B . n B 1 395 ARG 395 395 395 ARG ARG B . n B 1 396 ASP 396 396 396 ASP ASP B . n B 1 397 ALA 397 397 397 ALA ALA B . n B 1 398 MET 398 398 398 MET MET B . n B 1 399 SER 399 399 399 SER SER B . n B 1 400 ALA 400 400 400 ALA ALA B . n B 1 401 VAL 401 401 401 VAL VAL B . n B 1 402 VAL 402 402 402 VAL VAL B . n B 1 403 GLY 403 403 403 GLY GLY B . n B 1 404 ASP 404 404 404 ASP ASP B . n B 1 405 HIS 405 405 405 HIS HIS B . n B 1 406 ASN 406 406 406 ASN ASN B . n B 1 407 VAL 407 407 407 VAL VAL B . n B 1 408 VAL 408 408 408 VAL VAL B . n B 1 409 CYS 409 409 409 CYS CYS B . n B 1 410 PRO 410 410 410 PRO PRO B . n B 1 411 VAL 411 411 411 VAL VAL B . n B 1 412 ALA 412 412 412 ALA ALA B . n B 1 413 GLN 413 413 413 GLN GLN B . n B 1 414 LEU 414 414 414 LEU LEU B . n B 1 415 ALA 415 415 415 ALA ALA B . n B 1 416 GLY 416 416 416 GLY GLY B . n B 1 417 ARG 417 417 417 ARG ARG B . n B 1 418 LEU 418 418 418 LEU LEU B . n B 1 419 ALA 419 419 419 ALA ALA B . n B 1 420 ALA 420 420 420 ALA ALA B . n B 1 421 GLN 421 421 421 GLN GLN B . n B 1 422 GLY 422 422 422 GLY GLY B . n B 1 423 ALA 423 423 423 ALA ALA B . n B 1 424 ARG 424 424 424 ARG ARG B . n B 1 425 VAL 425 425 425 VAL VAL B . n B 1 426 TYR 426 426 426 TYR TYR B . n B 1 427 ALA 427 427 427 ALA ALA B . n B 1 428 TYR 428 428 428 TYR TYR B . n B 1 429 ILE 429 429 429 ILE ILE B . n B 1 430 PHE 430 430 430 PHE PHE B . n B 1 431 GLU 431 431 431 GLU GLU B . n B 1 432 HIS 432 432 432 HIS HIS B . n B 1 433 ARG 433 433 433 ARG ARG B . n B 1 434 ALA 434 434 434 ALA ALA B . n B 1 435 SER 435 435 435 SER SER B . n B 1 436 THR 436 436 436 THR THR B . n B 1 437 LEU 437 437 437 LEU LEU B . n B 1 438 THR 438 438 438 THR THR B . n B 1 439 TRP 439 439 439 TRP TRP B . n B 1 440 PRO 440 440 440 PRO PRO B . n B 1 441 LEU 441 441 441 LEU LEU B . n B 1 442 TRP 442 442 442 TRP TRP B . n B 1 443 MET 443 443 443 MET MET B . n B 1 444 GLY 444 444 444 GLY GLY B . n B 1 445 VAL 445 445 445 VAL VAL B . n B 1 446 PRO 446 446 446 PRO PRO B . n B 1 447 HIS 447 447 447 HIS HIS B . n B 1 448 GLY 448 448 448 GLY GLY B . n B 1 449 TYR 449 449 449 TYR TYR B . n B 1 450 GLU 450 450 450 GLU GLU B . n B 1 451 ILE 451 451 451 ILE ILE B . n B 1 452 GLU 452 452 452 GLU GLU B . n B 1 453 PHE 453 453 453 PHE PHE B . n B 1 454 ILE 454 454 454 ILE ILE B . n B 1 455 PHE 455 455 455 PHE PHE B . n B 1 456 GLY 456 456 456 GLY GLY B . n B 1 457 LEU 457 457 457 LEU LEU B . n B 1 458 PRO 458 458 458 PRO PRO B . n B 1 459 LEU 459 459 459 LEU LEU B . n B 1 460 ASP 460 460 460 ASP ASP B . n B 1 461 PRO 461 461 461 PRO PRO B . n B 1 462 SER 462 462 462 SER SER B . n B 1 463 LEU 463 463 463 LEU LEU B . n B 1 464 ASN 464 464 464 ASN ASN B . n B 1 465 TYR 465 465 465 TYR TYR B . n B 1 466 THR 466 466 466 THR THR B . n B 1 467 THR 467 467 467 THR THR B . n B 1 468 GLU 468 468 468 GLU GLU B . n B 1 469 GLU 469 469 469 GLU GLU B . n B 1 470 ARG 470 470 470 ARG ARG B . n B 1 471 ILE 471 471 471 ILE ILE B . n B 1 472 PHE 472 472 472 PHE PHE B . n B 1 473 ALA 473 473 473 ALA ALA B . n B 1 474 GLN 474 474 474 GLN GLN B . n B 1 475 ARG 475 475 475 ARG ARG B . n B 1 476 LEU 476 476 476 LEU LEU B . n B 1 477 MET 477 477 477 MET MET B . n B 1 478 LYS 478 478 478 LYS LYS B . n B 1 479 TYR 479 479 479 TYR TYR B . n B 1 480 TRP 480 480 480 TRP TRP B . n B 1 481 THR 481 481 481 THR THR B . n B 1 482 ASN 482 482 482 ASN ASN B . n B 1 483 PHE 483 483 483 PHE PHE B . n B 1 484 ALA 484 484 484 ALA ALA B . n B 1 485 ARG 485 485 485 ARG ARG B . n B 1 486 THR 486 486 486 THR THR B . n B 1 487 GLY 487 487 487 GLY GLY B . n B 1 488 ASP 488 488 488 ASP ASP B . n B 1 489 PRO 489 489 489 PRO PRO B . n B 1 490 ASN 490 490 490 ASN ASN B . n B 1 491 ASP 491 491 491 ASP ASP B . n B 1 492 PRO 492 492 492 PRO PRO B . n B 1 493 ARG 493 493 493 ARG ARG B . n B 1 494 ASP 494 494 494 ASP ASP B . n B 1 495 SER 495 495 495 SER SER B . n B 1 496 LYS 496 496 496 LYS LYS B . n B 1 497 SER 497 497 497 SER SER B . n B 1 498 PRO 498 498 498 PRO PRO B . n B 1 499 GLN 499 499 499 GLN GLN B . n B 1 500 TRP 500 500 500 TRP TRP B . n B 1 501 PRO 501 501 501 PRO PRO B . n B 1 502 PRO 502 502 502 PRO PRO B . n B 1 503 TYR 503 503 503 TYR TYR B . n B 1 504 THR 504 504 504 THR THR B . n B 1 505 THR 505 505 505 THR THR B . n B 1 506 ALA 506 506 506 ALA ALA B . n B 1 507 ALA 507 507 507 ALA ALA B . n B 1 508 GLN 508 508 508 GLN GLN B . n B 1 509 GLN 509 509 509 GLN GLN B . n B 1 510 TYR 510 510 510 TYR TYR B . n B 1 511 VAL 511 511 511 VAL VAL B . n B 1 512 SER 512 512 512 SER SER B . n B 1 513 LEU 513 513 513 LEU LEU B . n B 1 514 ASN 514 514 514 ASN ASN B . n B 1 515 LEU 515 515 515 LEU LEU B . n B 1 516 LYS 516 516 516 LYS LYS B . n B 1 517 PRO 517 517 517 PRO PRO B . n B 1 518 LEU 518 518 518 LEU LEU B . n B 1 519 GLU 519 519 519 GLU GLU B . n B 1 520 VAL 520 520 520 VAL VAL B . n B 1 521 ARG 521 521 521 ARG ARG B . n B 1 522 ARG 522 522 522 ARG ARG B . n B 1 523 GLY 523 523 523 GLY GLY B . n B 1 524 LEU 524 524 524 LEU LEU B . n B 1 525 ARG 525 525 525 ARG ARG B . n B 1 526 ALA 526 526 526 ALA ALA B . n B 1 527 GLN 527 527 527 GLN GLN B . n B 1 528 THR 528 528 528 THR THR B . n B 1 529 CYS 529 529 529 CYS CYS B . n B 1 530 ALA 530 530 530 ALA ALA B . n B 1 531 PHE 531 531 531 PHE PHE B . n B 1 532 TRP 532 532 532 TRP TRP B . n B 1 533 ASN 533 533 533 ASN ASN B . n B 1 534 ARG 534 534 534 ARG ARG B . n B 1 535 PHE 535 535 535 PHE PHE B . n B 1 536 LEU 536 536 536 LEU LEU B . n B 1 537 PRO 537 537 537 PRO PRO B . n B 1 538 LYS 538 538 538 LYS LYS B . n B 1 539 LEU 539 539 539 LEU LEU B . n B 1 540 LEU 540 540 540 LEU LEU B . n B 1 541 SER 541 541 541 SER SER B . n B 1 542 ALA 542 542 542 ALA ALA B . n B 1 543 THR 543 543 543 THR THR 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 NAG 1 601 501 NAG NAG A . D 3 FUC 2 602 502 FUC FUC A . E 2 NAG 3 603 503 NAG NAG A . F 2 NAG 1 604 511 NAG NAG A . G 4 TZ2 1 605 901 TZ2 TZ2 A . H 5 ACT 1 606 961 ACT ACT A . I 6 PG4 1 607 902 PG4 PG4 A . J 2 NAG 1 601 551 NAG NAG B . K 2 NAG 1 602 561 NAG NAG B . L 7 CL 1 603 1 CL CL B . M 4 TZ2 1 604 951 TZ2 TZ2 B . N 5 ACT 1 605 962 ACT ACT B . O 8 7PG 1 606 901 7PG P7G B . P 6 PG4 1 607 903 PG4 PG4 B . Q 9 HOH 1 701 181 HOH HOH A . Q 9 HOH 2 702 37 HOH HOH A . Q 9 HOH 3 703 131 HOH HOH A . Q 9 HOH 4 704 56 HOH HOH A . Q 9 HOH 5 705 302 HOH HOH A . Q 9 HOH 6 706 755 HOH HOH A . Q 9 HOH 7 707 280 HOH HOH A . Q 9 HOH 8 708 256 HOH HOH A . Q 9 HOH 9 709 538 HOH HOH A . Q 9 HOH 10 710 774 HOH HOH A . Q 9 HOH 11 711 168 HOH HOH A . Q 9 HOH 12 712 188 HOH HOH A . Q 9 HOH 13 713 341 HOH HOH A . Q 9 HOH 14 714 486 HOH HOH A . Q 9 HOH 15 715 532 HOH HOH A . Q 9 HOH 16 716 51 HOH HOH A . Q 9 HOH 17 717 183 HOH HOH A . Q 9 HOH 18 718 549 HOH HOH A . Q 9 HOH 19 719 7 HOH HOH A . Q 9 HOH 20 720 174 HOH HOH A . Q 9 HOH 21 721 471 HOH HOH A . Q 9 HOH 22 722 701 HOH HOH A . Q 9 HOH 23 723 416 HOH HOH A . Q 9 HOH 24 724 135 HOH HOH A . Q 9 HOH 25 725 254 HOH HOH A . Q 9 HOH 26 726 5 HOH HOH A . Q 9 HOH 27 727 195 HOH HOH A . Q 9 HOH 28 728 241 HOH HOH A . Q 9 HOH 29 729 412 HOH HOH A . Q 9 HOH 30 730 189 HOH HOH A . Q 9 HOH 31 731 427 HOH HOH A . Q 9 HOH 32 732 213 HOH HOH A . Q 9 HOH 33 733 4 HOH HOH A . Q 9 HOH 34 734 70 HOH HOH A . Q 9 HOH 35 735 432 HOH HOH A . Q 9 HOH 36 736 419 HOH HOH A . Q 9 HOH 37 737 155 HOH HOH A . Q 9 HOH 38 738 244 HOH HOH A . Q 9 HOH 39 739 401 HOH HOH A . Q 9 HOH 40 740 337 HOH HOH A . Q 9 HOH 41 741 127 HOH HOH A . Q 9 HOH 42 742 270 HOH HOH A . Q 9 HOH 43 743 125 HOH HOH A . Q 9 HOH 44 744 14 HOH HOH A . Q 9 HOH 45 745 191 HOH HOH A . Q 9 HOH 46 746 454 HOH HOH A . Q 9 HOH 47 747 239 HOH HOH A . Q 9 HOH 48 748 448 HOH HOH A . Q 9 HOH 49 749 82 HOH HOH A . Q 9 HOH 50 750 66 HOH HOH A . Q 9 HOH 51 751 203 HOH HOH A . Q 9 HOH 52 752 23 HOH HOH A . Q 9 HOH 53 753 533 HOH HOH A . Q 9 HOH 54 754 243 HOH HOH A . Q 9 HOH 55 755 75 HOH HOH A . Q 9 HOH 56 756 31 HOH HOH A . Q 9 HOH 57 757 618 HOH HOH A . Q 9 HOH 58 758 464 HOH HOH A . Q 9 HOH 59 759 48 HOH HOH A . Q 9 HOH 60 760 365 HOH HOH A . Q 9 HOH 61 761 314 HOH HOH A . Q 9 HOH 62 762 261 HOH HOH A . Q 9 HOH 63 763 153 HOH HOH A . Q 9 HOH 64 764 288 HOH HOH A . Q 9 HOH 65 765 597 HOH HOH A . Q 9 HOH 66 766 116 HOH HOH A . Q 9 HOH 67 767 408 HOH HOH A . Q 9 HOH 68 768 263 HOH HOH A . Q 9 HOH 69 769 49 HOH HOH A . Q 9 HOH 70 770 134 HOH HOH A . Q 9 HOH 71 771 193 HOH HOH A . Q 9 HOH 72 772 90 HOH HOH A . Q 9 HOH 73 773 411 HOH HOH A . Q 9 HOH 74 774 194 HOH HOH A . Q 9 HOH 75 775 266 HOH HOH A . Q 9 HOH 76 776 628 HOH HOH A . Q 9 HOH 77 777 199 HOH HOH A . Q 9 HOH 78 778 495 HOH HOH A . Q 9 HOH 79 779 92 HOH HOH A . Q 9 HOH 80 780 442 HOH HOH A . Q 9 HOH 81 781 88 HOH HOH A . Q 9 HOH 82 782 329 HOH HOH A . Q 9 HOH 83 783 236 HOH HOH A . Q 9 HOH 84 784 330 HOH HOH A . Q 9 HOH 85 785 556 HOH HOH A . Q 9 HOH 86 786 15 HOH HOH A . Q 9 HOH 87 787 258 HOH HOH A . Q 9 HOH 88 788 512 HOH HOH A . Q 9 HOH 89 789 147 HOH HOH A . Q 9 HOH 90 790 80 HOH HOH A . Q 9 HOH 91 791 527 HOH HOH A . Q 9 HOH 92 792 113 HOH HOH A . Q 9 HOH 93 793 137 HOH HOH A . Q 9 HOH 94 794 451 HOH HOH A . Q 9 HOH 95 795 809 HOH HOH A . Q 9 HOH 96 796 112 HOH HOH A . Q 9 HOH 97 797 225 HOH HOH A . Q 9 HOH 98 798 222 HOH HOH A . Q 9 HOH 99 799 646 HOH HOH A . Q 9 HOH 100 800 357 HOH HOH A . Q 9 HOH 101 801 693 HOH HOH A . Q 9 HOH 102 802 98 HOH HOH A . Q 9 HOH 103 803 421 HOH HOH A . Q 9 HOH 104 804 308 HOH HOH A . Q 9 HOH 105 805 138 HOH HOH A . Q 9 HOH 106 806 165 HOH HOH A . Q 9 HOH 107 807 119 HOH HOH A . Q 9 HOH 108 808 53 HOH HOH A . Q 9 HOH 109 809 740 HOH HOH A . Q 9 HOH 110 810 245 HOH HOH A . Q 9 HOH 111 811 277 HOH HOH A . Q 9 HOH 112 812 814 HOH HOH A . Q 9 HOH 113 813 291 HOH HOH A . Q 9 HOH 114 814 333 HOH HOH A . Q 9 HOH 115 815 446 HOH HOH A . Q 9 HOH 116 816 615 HOH HOH A . Q 9 HOH 117 817 377 HOH HOH A . Q 9 HOH 118 818 429 HOH HOH A . Q 9 HOH 119 819 235 HOH HOH A . Q 9 HOH 120 820 19 HOH HOH A . Q 9 HOH 121 821 444 HOH HOH A . Q 9 HOH 122 822 777 HOH HOH A . Q 9 HOH 123 823 218 HOH HOH A . Q 9 HOH 124 824 372 HOH HOH A . Q 9 HOH 125 825 815 HOH HOH A . Q 9 HOH 126 826 247 HOH HOH A . Q 9 HOH 127 827 22 HOH HOH A . Q 9 HOH 128 828 658 HOH HOH A . Q 9 HOH 129 829 403 HOH HOH A . Q 9 HOH 130 830 36 HOH HOH A . Q 9 HOH 131 831 86 HOH HOH A . Q 9 HOH 132 832 17 HOH HOH A . Q 9 HOH 133 833 103 HOH HOH A . Q 9 HOH 134 834 132 HOH HOH A . Q 9 HOH 135 835 479 HOH HOH A . Q 9 HOH 136 836 384 HOH HOH A . Q 9 HOH 137 837 150 HOH HOH A . Q 9 HOH 138 838 417 HOH HOH A . Q 9 HOH 139 839 58 HOH HOH A . Q 9 HOH 140 840 406 HOH HOH A . Q 9 HOH 141 841 729 HOH HOH A . Q 9 HOH 142 842 157 HOH HOH A . Q 9 HOH 143 843 505 HOH HOH A . Q 9 HOH 144 844 761 HOH HOH A . Q 9 HOH 145 845 27 HOH HOH A . Q 9 HOH 146 846 13 HOH HOH A . Q 9 HOH 147 847 257 HOH HOH A . Q 9 HOH 148 848 69 HOH HOH A . Q 9 HOH 149 849 91 HOH HOH A . Q 9 HOH 150 850 539 HOH HOH A . Q 9 HOH 151 851 268 HOH HOH A . Q 9 HOH 152 852 450 HOH HOH A . Q 9 HOH 153 853 743 HOH HOH A . Q 9 HOH 154 854 77 HOH HOH A . Q 9 HOH 155 855 47 HOH HOH A . Q 9 HOH 156 856 295 HOH HOH A . Q 9 HOH 157 857 68 HOH HOH A . Q 9 HOH 158 858 32 HOH HOH A . Q 9 HOH 159 859 305 HOH HOH A . Q 9 HOH 160 860 176 HOH HOH A . Q 9 HOH 161 861 283 HOH HOH A . Q 9 HOH 162 862 503 HOH HOH A . Q 9 HOH 163 863 120 HOH HOH A . Q 9 HOH 164 864 310 HOH HOH A . Q 9 HOH 165 865 807 HOH HOH A . Q 9 HOH 166 866 208 HOH HOH A . Q 9 HOH 167 867 335 HOH HOH A . Q 9 HOH 168 868 502 HOH HOH A . Q 9 HOH 169 869 801 HOH HOH A . Q 9 HOH 170 870 296 HOH HOH A . Q 9 HOH 171 871 488 HOH HOH A . Q 9 HOH 172 872 360 HOH HOH A . Q 9 HOH 173 873 229 HOH HOH A . Q 9 HOH 174 874 724 HOH HOH A . Q 9 HOH 175 875 259 HOH HOH A . Q 9 HOH 176 876 520 HOH HOH A . Q 9 HOH 177 877 164 HOH HOH A . Q 9 HOH 178 878 413 HOH HOH A . Q 9 HOH 179 879 547 HOH HOH A . Q 9 HOH 180 880 683 HOH HOH A . Q 9 HOH 181 881 33 HOH HOH A . Q 9 HOH 182 882 273 HOH HOH A . Q 9 HOH 183 883 180 HOH HOH A . Q 9 HOH 184 884 409 HOH HOH A . Q 9 HOH 185 885 177 HOH HOH A . Q 9 HOH 186 886 298 HOH HOH A . Q 9 HOH 187 887 275 HOH HOH A . Q 9 HOH 188 888 435 HOH HOH A . Q 9 HOH 189 889 399 HOH HOH A . Q 9 HOH 190 890 72 HOH HOH A . Q 9 HOH 191 891 250 HOH HOH A . Q 9 HOH 192 892 41 HOH HOH A . Q 9 HOH 193 893 85 HOH HOH A . Q 9 HOH 194 894 587 HOH HOH A . Q 9 HOH 195 895 530 HOH HOH A . Q 9 HOH 196 896 16 HOH HOH A . Q 9 HOH 197 897 123 HOH HOH A . Q 9 HOH 198 898 669 HOH HOH A . Q 9 HOH 199 899 307 HOH HOH A . Q 9 HOH 200 900 84 HOH HOH A . Q 9 HOH 201 901 173 HOH HOH A . Q 9 HOH 202 902 142 HOH HOH A . Q 9 HOH 203 903 802 HOH HOH A . Q 9 HOH 204 904 140 HOH HOH A . Q 9 HOH 205 905 46 HOH HOH A . Q 9 HOH 206 906 71 HOH HOH A . Q 9 HOH 207 907 39 HOH HOH A . Q 9 HOH 208 908 50 HOH HOH A . Q 9 HOH 209 909 487 HOH HOH A . Q 9 HOH 210 910 350 HOH HOH A . Q 9 HOH 211 911 621 HOH HOH A . Q 9 HOH 212 912 570 HOH HOH A . Q 9 HOH 213 913 206 HOH HOH A . Q 9 HOH 214 914 414 HOH HOH A . Q 9 HOH 215 915 674 HOH HOH A . Q 9 HOH 216 916 546 HOH HOH A . Q 9 HOH 217 917 582 HOH HOH A . Q 9 HOH 218 918 758 HOH HOH A . Q 9 HOH 219 919 331 HOH HOH A . Q 9 HOH 220 920 476 HOH HOH A . Q 9 HOH 221 921 475 HOH HOH A . Q 9 HOH 222 922 470 HOH HOH A . Q 9 HOH 223 923 89 HOH HOH A . Q 9 HOH 224 924 10 HOH HOH A . Q 9 HOH 225 925 643 HOH HOH A . Q 9 HOH 226 926 425 HOH HOH A . Q 9 HOH 227 927 769 HOH HOH A . Q 9 HOH 228 928 754 HOH HOH A . Q 9 HOH 229 929 682 HOH HOH A . Q 9 HOH 230 930 463 HOH HOH A . Q 9 HOH 231 931 466 HOH HOH A . Q 9 HOH 232 932 355 HOH HOH A . Q 9 HOH 233 933 336 HOH HOH A . Q 9 HOH 234 934 260 HOH HOH A . Q 9 HOH 235 935 491 HOH HOH A . Q 9 HOH 236 936 418 HOH HOH A . Q 9 HOH 237 937 1 HOH HOH A . Q 9 HOH 238 938 25 HOH HOH A . Q 9 HOH 239 939 200 HOH HOH A . Q 9 HOH 240 940 440 HOH HOH A . Q 9 HOH 241 941 811 HOH HOH A . Q 9 HOH 242 942 87 HOH HOH A . Q 9 HOH 243 943 111 HOH HOH A . Q 9 HOH 244 944 771 HOH HOH A . Q 9 HOH 245 945 313 HOH HOH A . Q 9 HOH 246 946 81 HOH HOH A . Q 9 HOH 247 947 352 HOH HOH A . Q 9 HOH 248 948 284 HOH HOH A . Q 9 HOH 249 949 251 HOH HOH A . Q 9 HOH 250 950 158 HOH HOH A . Q 9 HOH 251 951 105 HOH HOH A . Q 9 HOH 252 952 439 HOH HOH A . Q 9 HOH 253 953 757 HOH HOH A . Q 9 HOH 254 954 514 HOH HOH A . Q 9 HOH 255 955 187 HOH HOH A . Q 9 HOH 256 956 443 HOH HOH A . Q 9 HOH 257 957 560 HOH HOH A . Q 9 HOH 258 958 572 HOH HOH A . Q 9 HOH 259 959 363 HOH HOH A . Q 9 HOH 260 960 691 HOH HOH A . Q 9 HOH 261 961 504 HOH HOH A . Q 9 HOH 262 962 506 HOH HOH A . Q 9 HOH 263 963 100 HOH HOH A . Q 9 HOH 264 964 513 HOH HOH A . Q 9 HOH 265 965 474 HOH HOH A . Q 9 HOH 266 966 459 HOH HOH A . Q 9 HOH 267 967 160 HOH HOH A . Q 9 HOH 268 968 629 HOH HOH A . Q 9 HOH 269 969 282 HOH HOH A . Q 9 HOH 270 970 388 HOH HOH A . Q 9 HOH 271 971 323 HOH HOH A . Q 9 HOH 272 972 287 HOH HOH A . Q 9 HOH 273 973 38 HOH HOH A . Q 9 HOH 274 974 67 HOH HOH A . Q 9 HOH 275 975 55 HOH HOH A . Q 9 HOH 276 976 402 HOH HOH A . Q 9 HOH 277 977 795 HOH HOH A . Q 9 HOH 278 978 99 HOH HOH A . Q 9 HOH 279 979 364 HOH HOH A . Q 9 HOH 280 980 438 HOH HOH A . Q 9 HOH 281 981 731 HOH HOH A . Q 9 HOH 282 982 780 HOH HOH A . Q 9 HOH 283 983 627 HOH HOH A . Q 9 HOH 284 984 589 HOH HOH A . Q 9 HOH 285 985 217 HOH HOH A . Q 9 HOH 286 986 216 HOH HOH A . Q 9 HOH 287 987 209 HOH HOH A . Q 9 HOH 288 988 349 HOH HOH A . Q 9 HOH 289 989 773 HOH HOH A . Q 9 HOH 290 990 304 HOH HOH A . Q 9 HOH 291 991 699 HOH HOH A . Q 9 HOH 292 992 286 HOH HOH A . Q 9 HOH 293 993 299 HOH HOH A . Q 9 HOH 294 994 373 HOH HOH A . Q 9 HOH 295 995 374 HOH HOH A . Q 9 HOH 296 996 481 HOH HOH A . Q 9 HOH 297 997 499 HOH HOH A . Q 9 HOH 298 998 489 HOH HOH A . Q 9 HOH 299 999 167 HOH HOH A . Q 9 HOH 300 1000 501 HOH HOH A . Q 9 HOH 301 1001 676 HOH HOH A . Q 9 HOH 302 1002 422 HOH HOH A . Q 9 HOH 303 1003 630 HOH HOH A . Q 9 HOH 304 1004 436 HOH HOH A . Q 9 HOH 305 1005 493 HOH HOH A . Q 9 HOH 306 1006 115 HOH HOH A . Q 9 HOH 307 1007 667 HOH HOH A . Q 9 HOH 308 1008 778 HOH HOH A . Q 9 HOH 309 1009 641 HOH HOH A . Q 9 HOH 310 1010 599 HOH HOH A . Q 9 HOH 311 1011 297 HOH HOH A . Q 9 HOH 312 1012 804 HOH HOH A . Q 9 HOH 313 1013 485 HOH HOH A . Q 9 HOH 314 1014 108 HOH HOH A . Q 9 HOH 315 1015 312 HOH HOH A . Q 9 HOH 316 1016 510 HOH HOH A . Q 9 HOH 317 1017 122 HOH HOH A . Q 9 HOH 318 1018 62 HOH HOH A . Q 9 HOH 319 1019 563 HOH HOH A . Q 9 HOH 320 1020 469 HOH HOH A . Q 9 HOH 321 1021 279 HOH HOH A . Q 9 HOH 322 1022 424 HOH HOH A . Q 9 HOH 323 1023 712 HOH HOH A . Q 9 HOH 324 1024 741 HOH HOH A . Q 9 HOH 325 1025 184 HOH HOH A . Q 9 HOH 326 1026 639 HOH HOH A . Q 9 HOH 327 1027 529 HOH HOH A . Q 9 HOH 328 1028 727 HOH HOH A . Q 9 HOH 329 1029 482 HOH HOH A . Q 9 HOH 330 1030 694 HOH HOH A . Q 9 HOH 331 1031 721 HOH HOH A . Q 9 HOH 332 1032 465 HOH HOH A . Q 9 HOH 333 1033 528 HOH HOH A . Q 9 HOH 334 1034 695 HOH HOH A . Q 9 HOH 335 1035 690 HOH HOH A . Q 9 HOH 336 1036 381 HOH HOH A . Q 9 HOH 337 1037 519 HOH HOH A . Q 9 HOH 338 1038 604 HOH HOH A . Q 9 HOH 339 1039 320 HOH HOH A . Q 9 HOH 340 1040 816 HOH HOH A . Q 9 HOH 341 1041 634 HOH HOH A . Q 9 HOH 342 1042 523 HOH HOH A . Q 9 HOH 343 1043 386 HOH HOH A . Q 9 HOH 344 1044 379 HOH HOH A . Q 9 HOH 345 1045 309 HOH HOH A . Q 9 HOH 346 1046 536 HOH HOH A . Q 9 HOH 347 1047 224 HOH HOH A . Q 9 HOH 348 1048 642 HOH HOH A . Q 9 HOH 349 1049 294 HOH HOH A . Q 9 HOH 350 1050 772 HOH HOH A . Q 9 HOH 351 1051 662 HOH HOH A . Q 9 HOH 352 1052 555 HOH HOH A . Q 9 HOH 353 1053 574 HOH HOH A . Q 9 HOH 354 1054 380 HOH HOH A . Q 9 HOH 355 1055 524 HOH HOH A . Q 9 HOH 356 1056 625 HOH HOH A . Q 9 HOH 357 1057 394 HOH HOH A . Q 9 HOH 358 1058 747 HOH HOH A . Q 9 HOH 359 1059 397 HOH HOH A . Q 9 HOH 360 1060 779 HOH HOH A . Q 9 HOH 361 1061 633 HOH HOH A . Q 9 HOH 362 1062 760 HOH HOH A . R 9 HOH 1 701 290 HOH HOH B . R 9 HOH 2 702 332 HOH HOH B . R 9 HOH 3 703 156 HOH HOH B . R 9 HOH 4 704 441 HOH HOH B . R 9 HOH 5 705 550 HOH HOH B . R 9 HOH 6 706 410 HOH HOH B . R 9 HOH 7 707 775 HOH HOH B . R 9 HOH 8 708 21 HOH HOH B . R 9 HOH 9 709 346 HOH HOH B . R 9 HOH 10 710 522 HOH HOH B . R 9 HOH 11 711 178 HOH HOH B . R 9 HOH 12 712 507 HOH HOH B . R 9 HOH 13 713 114 HOH HOH B . R 9 HOH 14 714 63 HOH HOH B . R 9 HOH 15 715 57 HOH HOH B . R 9 HOH 16 716 246 HOH HOH B . R 9 HOH 17 717 94 HOH HOH B . R 9 HOH 18 718 704 HOH HOH B . R 9 HOH 19 719 292 HOH HOH B . R 9 HOH 20 720 129 HOH HOH B . R 9 HOH 21 721 83 HOH HOH B . R 9 HOH 22 722 192 HOH HOH B . R 9 HOH 23 723 437 HOH HOH B . R 9 HOH 24 724 130 HOH HOH B . R 9 HOH 25 725 449 HOH HOH B . R 9 HOH 26 726 146 HOH HOH B . R 9 HOH 27 727 609 HOH HOH B . R 9 HOH 28 728 141 HOH HOH B . R 9 HOH 29 729 211 HOH HOH B . R 9 HOH 30 730 29 HOH HOH B . R 9 HOH 31 731 447 HOH HOH B . R 9 HOH 32 732 460 HOH HOH B . R 9 HOH 33 733 6 HOH HOH B . R 9 HOH 34 734 249 HOH HOH B . R 9 HOH 35 735 306 HOH HOH B . R 9 HOH 36 736 40 HOH HOH B . R 9 HOH 37 737 603 HOH HOH B . R 9 HOH 38 738 648 HOH HOH B . R 9 HOH 39 739 54 HOH HOH B . R 9 HOH 40 740 139 HOH HOH B . R 9 HOH 41 741 784 HOH HOH B . R 9 HOH 42 742 494 HOH HOH B . R 9 HOH 43 743 201 HOH HOH B . R 9 HOH 44 744 797 HOH HOH B . R 9 HOH 45 745 281 HOH HOH B . R 9 HOH 46 746 95 HOH HOH B . R 9 HOH 47 747 24 HOH HOH B . R 9 HOH 48 748 325 HOH HOH B . R 9 HOH 49 749 128 HOH HOH B . R 9 HOH 50 750 9 HOH HOH B . R 9 HOH 51 751 42 HOH HOH B . R 9 HOH 52 752 376 HOH HOH B . R 9 HOH 53 753 219 HOH HOH B . R 9 HOH 54 754 18 HOH HOH B . R 9 HOH 55 755 415 HOH HOH B . R 9 HOH 56 756 452 HOH HOH B . R 9 HOH 57 757 93 HOH HOH B . R 9 HOH 58 758 204 HOH HOH B . R 9 HOH 59 759 210 HOH HOH B . R 9 HOH 60 760 101 HOH HOH B . R 9 HOH 61 761 303 HOH HOH B . R 9 HOH 62 762 242 HOH HOH B . R 9 HOH 63 763 347 HOH HOH B . R 9 HOH 64 764 675 HOH HOH B . R 9 HOH 65 765 356 HOH HOH B . R 9 HOH 66 766 340 HOH HOH B . R 9 HOH 67 767 301 HOH HOH B . R 9 HOH 68 768 361 HOH HOH B . R 9 HOH 69 769 793 HOH HOH B . R 9 HOH 70 770 368 HOH HOH B . R 9 HOH 71 771 124 HOH HOH B . R 9 HOH 72 772 584 HOH HOH B . R 9 HOH 73 773 404 HOH HOH B . R 9 HOH 74 774 490 HOH HOH B . R 9 HOH 75 775 686 HOH HOH B . R 9 HOH 76 776 462 HOH HOH B . R 9 HOH 77 777 405 HOH HOH B . R 9 HOH 78 778 179 HOH HOH B . R 9 HOH 79 779 655 HOH HOH B . R 9 HOH 80 780 606 HOH HOH B . R 9 HOH 81 781 358 HOH HOH B . R 9 HOH 82 782 792 HOH HOH B . R 9 HOH 83 783 375 HOH HOH B . R 9 HOH 84 784 428 HOH HOH B . R 9 HOH 85 785 339 HOH HOH B . R 9 HOH 86 786 97 HOH HOH B . R 9 HOH 87 787 595 HOH HOH B . R 9 HOH 88 788 430 HOH HOH B . R 9 HOH 89 789 52 HOH HOH B . R 9 HOH 90 790 106 HOH HOH B . R 9 HOH 91 791 60 HOH HOH B . R 9 HOH 92 792 480 HOH HOH B . R 9 HOH 93 793 154 HOH HOH B . R 9 HOH 94 794 110 HOH HOH B . R 9 HOH 95 795 326 HOH HOH B . R 9 HOH 96 796 248 HOH HOH B . R 9 HOH 97 797 79 HOH HOH B . R 9 HOH 98 798 531 HOH HOH B . R 9 HOH 99 799 109 HOH HOH B . R 9 HOH 100 800 342 HOH HOH B . R 9 HOH 101 801 791 HOH HOH B . R 9 HOH 102 802 267 HOH HOH B . R 9 HOH 103 803 233 HOH HOH B . R 9 HOH 104 804 537 HOH HOH B . R 9 HOH 105 805 455 HOH HOH B . R 9 HOH 106 806 782 HOH HOH B . R 9 HOH 107 807 770 HOH HOH B . R 9 HOH 108 808 293 HOH HOH B . R 9 HOH 109 809 26 HOH HOH B . R 9 HOH 110 810 492 HOH HOH B . R 9 HOH 111 811 44 HOH HOH B . R 9 HOH 112 812 608 HOH HOH B . R 9 HOH 113 813 343 HOH HOH B . R 9 HOH 114 814 423 HOH HOH B . R 9 HOH 115 815 136 HOH HOH B . R 9 HOH 116 816 407 HOH HOH B . R 9 HOH 117 817 234 HOH HOH B . R 9 HOH 118 818 764 HOH HOH B . R 9 HOH 119 819 596 HOH HOH B . R 9 HOH 120 820 369 HOH HOH B . R 9 HOH 121 821 378 HOH HOH B . R 9 HOH 122 822 271 HOH HOH B . R 9 HOH 123 823 738 HOH HOH B . R 9 HOH 124 824 74 HOH HOH B . R 9 HOH 125 825 12 HOH HOH B . R 9 HOH 126 826 96 HOH HOH B . R 9 HOH 127 827 541 HOH HOH B . R 9 HOH 128 828 285 HOH HOH B . R 9 HOH 129 829 252 HOH HOH B . R 9 HOH 130 830 671 HOH HOH B . R 9 HOH 131 831 431 HOH HOH B . R 9 HOH 132 832 345 HOH HOH B . R 9 HOH 133 833 170 HOH HOH B . R 9 HOH 134 834 117 HOH HOH B . R 9 HOH 135 835 118 HOH HOH B . R 9 HOH 136 836 569 HOH HOH B . R 9 HOH 137 837 366 HOH HOH B . R 9 HOH 138 838 221 HOH HOH B . R 9 HOH 139 839 705 HOH HOH B . R 9 HOH 140 840 400 HOH HOH B . R 9 HOH 141 841 8 HOH HOH B . R 9 HOH 142 842 231 HOH HOH B . R 9 HOH 143 843 169 HOH HOH B . R 9 HOH 144 844 617 HOH HOH B . R 9 HOH 145 845 300 HOH HOH B . R 9 HOH 146 846 353 HOH HOH B . R 9 HOH 147 847 322 HOH HOH B . R 9 HOH 148 848 433 HOH HOH B . R 9 HOH 149 849 78 HOH HOH B . R 9 HOH 150 850 518 HOH HOH B . R 9 HOH 151 851 511 HOH HOH B . R 9 HOH 152 852 289 HOH HOH B . R 9 HOH 153 853 73 HOH HOH B . R 9 HOH 154 854 28 HOH HOH B . R 9 HOH 155 855 265 HOH HOH B . R 9 HOH 156 856 567 HOH HOH B . R 9 HOH 157 857 817 HOH HOH B . R 9 HOH 158 858 420 HOH HOH B . R 9 HOH 159 859 311 HOH HOH B . R 9 HOH 160 860 262 HOH HOH B . R 9 HOH 161 861 800 HOH HOH B . R 9 HOH 162 862 182 HOH HOH B . R 9 HOH 163 863 317 HOH HOH B . R 9 HOH 164 864 186 HOH HOH B . R 9 HOH 165 865 561 HOH HOH B . R 9 HOH 166 866 207 HOH HOH B . R 9 HOH 167 867 558 HOH HOH B . R 9 HOH 168 868 190 HOH HOH B . R 9 HOH 169 869 228 HOH HOH B . R 9 HOH 170 870 64 HOH HOH B . R 9 HOH 171 871 121 HOH HOH B . R 9 HOH 172 872 324 HOH HOH B . R 9 HOH 173 873 458 HOH HOH B . R 9 HOH 174 874 255 HOH HOH B . R 9 HOH 175 875 359 HOH HOH B . R 9 HOH 176 876 434 HOH HOH B . R 9 HOH 177 877 20 HOH HOH B . R 9 HOH 178 878 237 HOH HOH B . R 9 HOH 179 879 185 HOH HOH B . R 9 HOH 180 880 2 HOH HOH B . R 9 HOH 181 881 151 HOH HOH B . R 9 HOH 182 882 467 HOH HOH B . R 9 HOH 183 883 126 HOH HOH B . R 9 HOH 184 884 34 HOH HOH B . R 9 HOH 185 885 230 HOH HOH B . R 9 HOH 186 886 763 HOH HOH B . R 9 HOH 187 887 728 HOH HOH B . R 9 HOH 188 888 647 HOH HOH B . R 9 HOH 189 889 148 HOH HOH B . R 9 HOH 190 890 220 HOH HOH B . R 9 HOH 191 891 198 HOH HOH B . R 9 HOH 192 892 102 HOH HOH B . R 9 HOH 193 893 133 HOH HOH B . R 9 HOH 194 894 338 HOH HOH B . R 9 HOH 195 895 149 HOH HOH B . R 9 HOH 196 896 344 HOH HOH B . R 9 HOH 197 897 661 HOH HOH B . R 9 HOH 198 898 334 HOH HOH B . R 9 HOH 199 899 776 HOH HOH B . R 9 HOH 200 900 202 HOH HOH B . R 9 HOH 201 901 788 HOH HOH B . R 9 HOH 202 902 319 HOH HOH B . R 9 HOH 203 903 197 HOH HOH B . R 9 HOH 204 904 65 HOH HOH B . R 9 HOH 205 905 215 HOH HOH B . R 9 HOH 206 906 143 HOH HOH B . R 9 HOH 207 907 789 HOH HOH B . R 9 HOH 208 908 708 HOH HOH B . R 9 HOH 209 909 76 HOH HOH B . R 9 HOH 210 910 61 HOH HOH B . R 9 HOH 211 911 166 HOH HOH B . R 9 HOH 212 912 542 HOH HOH B . R 9 HOH 213 913 362 HOH HOH B . R 9 HOH 214 914 163 HOH HOH B . R 9 HOH 215 915 45 HOH HOH B . R 9 HOH 216 916 205 HOH HOH B . R 9 HOH 217 917 385 HOH HOH B . R 9 HOH 218 918 681 HOH HOH B . R 9 HOH 219 919 274 HOH HOH B . R 9 HOH 220 920 223 HOH HOH B . R 9 HOH 221 921 175 HOH HOH B . R 9 HOH 222 922 278 HOH HOH B . R 9 HOH 223 923 565 HOH HOH B . R 9 HOH 224 924 668 HOH HOH B . R 9 HOH 225 925 214 HOH HOH B . R 9 HOH 226 926 269 HOH HOH B . R 9 HOH 227 927 453 HOH HOH B . R 9 HOH 228 928 703 HOH HOH B . R 9 HOH 229 929 794 HOH HOH B . R 9 HOH 230 930 171 HOH HOH B . R 9 HOH 231 931 367 HOH HOH B . R 9 HOH 232 932 144 HOH HOH B . R 9 HOH 233 933 680 HOH HOH B . R 9 HOH 234 934 672 HOH HOH B . R 9 HOH 235 935 104 HOH HOH B . R 9 HOH 236 936 264 HOH HOH B . R 9 HOH 237 937 805 HOH HOH B . R 9 HOH 238 938 152 HOH HOH B . R 9 HOH 239 939 253 HOH HOH B . R 9 HOH 240 940 806 HOH HOH B . R 9 HOH 241 941 107 HOH HOH B . R 9 HOH 242 942 611 HOH HOH B . R 9 HOH 243 943 162 HOH HOH B . R 9 HOH 244 944 59 HOH HOH B . R 9 HOH 245 945 657 HOH HOH B . R 9 HOH 246 946 787 HOH HOH B . R 9 HOH 247 947 457 HOH HOH B . R 9 HOH 248 948 750 HOH HOH B . R 9 HOH 249 949 161 HOH HOH B . R 9 HOH 250 950 477 HOH HOH B . R 9 HOH 251 951 803 HOH HOH B . R 9 HOH 252 952 30 HOH HOH B . R 9 HOH 253 953 819 HOH HOH B . R 9 HOH 254 954 590 HOH HOH B . R 9 HOH 255 955 232 HOH HOH B . R 9 HOH 256 956 678 HOH HOH B . R 9 HOH 257 957 586 HOH HOH B . R 9 HOH 258 958 631 HOH HOH B . R 9 HOH 259 959 612 HOH HOH B . R 9 HOH 260 960 813 HOH HOH B . R 9 HOH 261 961 812 HOH HOH B . R 9 HOH 262 962 663 HOH HOH B . R 9 HOH 263 963 383 HOH HOH B . R 9 HOH 264 964 808 HOH HOH B . R 9 HOH 265 965 785 HOH HOH B . R 9 HOH 266 966 752 HOH HOH B . R 9 HOH 267 967 548 HOH HOH B . R 9 HOH 268 968 601 HOH HOH B . R 9 HOH 269 969 765 HOH HOH B . R 9 HOH 270 970 697 HOH HOH B . R 9 HOH 271 971 535 HOH HOH B . R 9 HOH 272 972 552 HOH HOH B . R 9 HOH 273 973 649 HOH HOH B . R 9 HOH 274 974 389 HOH HOH B . R 9 HOH 275 975 677 HOH HOH B . R 9 HOH 276 976 327 HOH HOH B . R 9 HOH 277 977 483 HOH HOH B . R 9 HOH 278 978 392 HOH HOH B . R 9 HOH 279 979 521 HOH HOH B . R 9 HOH 280 980 654 HOH HOH B . R 9 HOH 281 981 387 HOH HOH B . R 9 HOH 282 982 710 HOH HOH B . R 9 HOH 283 983 702 HOH HOH B . R 9 HOH 284 984 391 HOH HOH B . R 9 HOH 285 985 461 HOH HOH B . R 9 HOH 286 986 348 HOH HOH B . R 9 HOH 287 987 736 HOH HOH B . R 9 HOH 288 988 240 HOH HOH B . R 9 HOH 289 989 564 HOH HOH B . R 9 HOH 290 990 393 HOH HOH B . R 9 HOH 291 991 640 HOH HOH B . R 9 HOH 292 992 396 HOH HOH B . R 9 HOH 293 993 545 HOH HOH B . R 9 HOH 294 994 737 HOH HOH B . R 9 HOH 295 995 316 HOH HOH B . R 9 HOH 296 996 525 HOH HOH B . R 9 HOH 297 997 526 HOH HOH B . R 9 HOH 298 998 577 HOH HOH B . R 9 HOH 299 999 354 HOH HOH B . R 9 HOH 300 1000 659 HOH HOH B . R 9 HOH 301 1001 626 HOH HOH B . R 9 HOH 302 1002 767 HOH HOH B . R 9 HOH 303 1003 484 HOH HOH B . R 9 HOH 304 1004 276 HOH HOH B . R 9 HOH 305 1005 798 HOH HOH B . R 9 HOH 306 1006 739 HOH HOH B . R 9 HOH 307 1007 576 HOH HOH B . # _pdbx_struct_assembly.id 1 _pdbx_struct_assembly.details author_and_software_defined_assembly _pdbx_struct_assembly.method_details PISA _pdbx_struct_assembly.oligomeric_details dimeric _pdbx_struct_assembly.oligomeric_count 2 # _pdbx_struct_assembly_gen.assembly_id 1 _pdbx_struct_assembly_gen.oper_expression 1 _pdbx_struct_assembly_gen.asym_id_list A,B,C,D,E,F,G,H,I,J,K,L,M,N,O,P,Q,R # loop_ _pdbx_struct_assembly_prop.biol_id _pdbx_struct_assembly_prop.type _pdbx_struct_assembly_prop.value _pdbx_struct_assembly_prop.details 1 'ABSA (A^2)' 5060 ? 1 MORE 12 ? 1 'SSA (A^2)' 39010 ? # _pdbx_struct_oper_list.id 1 _pdbx_struct_oper_list.type 'identity operation' _pdbx_struct_oper_list.name 1_555 _pdbx_struct_oper_list.symmetry_operation x,y,z _pdbx_struct_oper_list.matrix[1][1] 1.0000000000 _pdbx_struct_oper_list.matrix[1][2] 0.0000000000 _pdbx_struct_oper_list.matrix[1][3] 0.0000000000 _pdbx_struct_oper_list.vector[1] 0.0000000000 _pdbx_struct_oper_list.matrix[2][1] 0.0000000000 _pdbx_struct_oper_list.matrix[2][2] 1.0000000000 _pdbx_struct_oper_list.matrix[2][3] 0.0000000000 _pdbx_struct_oper_list.vector[2] 0.0000000000 _pdbx_struct_oper_list.matrix[3][1] 0.0000000000 _pdbx_struct_oper_list.matrix[3][2] 0.0000000000 _pdbx_struct_oper_list.matrix[3][3] 1.0000000000 _pdbx_struct_oper_list.vector[3] 0.0000000000 # loop_ _pdbx_audit_revision_history.ordinal _pdbx_audit_revision_history.data_content_type _pdbx_audit_revision_history.major_revision _pdbx_audit_revision_history.minor_revision _pdbx_audit_revision_history.revision_date 1 'Structure model' 1 0 2016-01-20 2 'Structure model' 1 1 2016-02-17 # _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.id _pdbx_refine_tls.pdbx_refine_id _pdbx_refine_tls.details _pdbx_refine_tls.method _pdbx_refine_tls.origin_x _pdbx_refine_tls.origin_y _pdbx_refine_tls.origin_z _pdbx_refine_tls.T[1][1] _pdbx_refine_tls.T[1][1]_esd _pdbx_refine_tls.T[1][2] _pdbx_refine_tls.T[1][2]_esd _pdbx_refine_tls.T[1][3] _pdbx_refine_tls.T[1][3]_esd _pdbx_refine_tls.T[2][2] _pdbx_refine_tls.T[2][2]_esd _pdbx_refine_tls.T[2][3] _pdbx_refine_tls.T[2][3]_esd _pdbx_refine_tls.T[3][3] _pdbx_refine_tls.T[3][3]_esd _pdbx_refine_tls.L[1][1] _pdbx_refine_tls.L[1][1]_esd _pdbx_refine_tls.L[1][2] _pdbx_refine_tls.L[1][2]_esd _pdbx_refine_tls.L[1][3] _pdbx_refine_tls.L[1][3]_esd _pdbx_refine_tls.L[2][2] _pdbx_refine_tls.L[2][2]_esd _pdbx_refine_tls.L[2][3] _pdbx_refine_tls.L[2][3]_esd _pdbx_refine_tls.L[3][3] _pdbx_refine_tls.L[3][3]_esd _pdbx_refine_tls.S[1][1] _pdbx_refine_tls.S[1][1]_esd _pdbx_refine_tls.S[1][2] _pdbx_refine_tls.S[1][2]_esd _pdbx_refine_tls.S[1][3] _pdbx_refine_tls.S[1][3]_esd _pdbx_refine_tls.S[2][1] _pdbx_refine_tls.S[2][1]_esd _pdbx_refine_tls.S[2][2] _pdbx_refine_tls.S[2][2]_esd _pdbx_refine_tls.S[2][3] _pdbx_refine_tls.S[2][3]_esd _pdbx_refine_tls.S[3][1] _pdbx_refine_tls.S[3][1]_esd _pdbx_refine_tls.S[3][2] _pdbx_refine_tls.S[3][2]_esd _pdbx_refine_tls.S[3][3] _pdbx_refine_tls.S[3][3]_esd 1 'X-RAY DIFFRACTION' ? refined 27.7447 12.5218 16.6451 -0.0509 ? 0.0042 ? 0.0047 ? -0.0598 ? 0.0371 ? -0.1249 ? 0.7278 ? -0.0907 ? 0.0741 ? 0.7031 ? -0.3723 ? 1.7955 ? -0.0799 ? 0.0035 ? -0.0643 ? -0.0400 ? 0.0016 ? -0.0008 ? 0.1923 ? -0.0588 ? 0.0783 ? 2 'X-RAY DIFFRACTION' ? refined 7.7847 4.7572 -40.1465 -0.0849 ? -0.0173 ? -0.0082 ? -0.0777 ? -0.0766 ? -0.1707 ? 0.6447 ? -0.0545 ? 0.1552 ? 1.1154 ? 0.8016 ? 2.4612 ? 0.1193 ? 0.0752 ? -0.0568 ? 0.1234 ? -0.1668 ? 0.1079 ? 0.2284 ? -0.0473 ? 0.0475 ? # loop_ _pdbx_refine_tls_group.id _pdbx_refine_tls_group.pdbx_refine_id _pdbx_refine_tls_group.refine_tls_id _pdbx_refine_tls_group.beg_label_asym_id _pdbx_refine_tls_group.beg_label_seq_id _pdbx_refine_tls_group.beg_auth_asym_id _pdbx_refine_tls_group.beg_auth_seq_id _pdbx_refine_tls_group.end_label_asym_id _pdbx_refine_tls_group.end_label_seq_id _pdbx_refine_tls_group.end_auth_asym_id _pdbx_refine_tls_group.end_auth_seq_id _pdbx_refine_tls_group.selection _pdbx_refine_tls_group.selection_details 1 'X-RAY DIFFRACTION' 1 ? ? ? ? ? ? ? ? ? '{ A|* }' 2 'X-RAY DIFFRACTION' 2 ? ? ? ? ? ? ? ? ? '{ B|* }' # loop_ _software.citation_id _software.classification _software.compiler_name _software.compiler_version _software.contact_author _software.contact_author_email _software.date _software.description _software.dependencies _software.hardware _software.language _software.location _software.mods _software.name _software.os _software.os_version _software.type _software.version _software.pdbx_ordinal ? refinement ? ? ? ? ? ? ? ? ? ? ? BUSTER ? ? ? 2.10.2 1 ? 'data reduction' ? ? ? ? ? ? ? ? ? ? ? XDS ? ? ? . 2 ? 'data scaling' ? ? ? ? ? ? ? ? ? ? ? SCALA ? ? ? . 3 ? phasing ? ? ? ? ? ? ? ? ? ? ? REFMAC ? ? ? . 4 # loop_ _pdbx_validate_rmsd_angle.id _pdbx_validate_rmsd_angle.PDB_model_num _pdbx_validate_rmsd_angle.auth_atom_id_1 _pdbx_validate_rmsd_angle.auth_asym_id_1 _pdbx_validate_rmsd_angle.auth_comp_id_1 _pdbx_validate_rmsd_angle.auth_seq_id_1 _pdbx_validate_rmsd_angle.PDB_ins_code_1 _pdbx_validate_rmsd_angle.label_alt_id_1 _pdbx_validate_rmsd_angle.auth_atom_id_2 _pdbx_validate_rmsd_angle.auth_asym_id_2 _pdbx_validate_rmsd_angle.auth_comp_id_2 _pdbx_validate_rmsd_angle.auth_seq_id_2 _pdbx_validate_rmsd_angle.PDB_ins_code_2 _pdbx_validate_rmsd_angle.label_alt_id_2 _pdbx_validate_rmsd_angle.auth_atom_id_3 _pdbx_validate_rmsd_angle.auth_asym_id_3 _pdbx_validate_rmsd_angle.auth_comp_id_3 _pdbx_validate_rmsd_angle.auth_seq_id_3 _pdbx_validate_rmsd_angle.PDB_ins_code_3 _pdbx_validate_rmsd_angle.label_alt_id_3 _pdbx_validate_rmsd_angle.angle_value _pdbx_validate_rmsd_angle.angle_target_value _pdbx_validate_rmsd_angle.angle_deviation _pdbx_validate_rmsd_angle.angle_standard_deviation _pdbx_validate_rmsd_angle.linker_flag 1 1 CB B ARG 493 ? ? CA B ARG 493 ? ? C B ARG 493 ? ? 84.95 110.40 -25.45 2.00 N 2 1 N B ARG 493 ? ? CA B ARG 493 ? ? C B ARG 493 ? ? 150.58 111.00 39.58 2.70 N 3 1 C B ARG 493 ? ? N B ASP 494 ? ? CA B ASP 494 ? ? 147.78 121.70 26.08 2.50 Y # 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 PHE A 47 ? ? 76.40 -2.61 2 1 TYR A 77 ? ? -118.29 79.76 3 1 SER A 203 ? ? 59.55 -116.94 4 1 ASP A 306 ? ? -123.74 -85.54 5 1 VAL A 407 ? ? -126.61 -60.66 6 1 PHE B 47 ? ? 76.62 -2.06 7 1 ALA B 62 ? ? -115.49 50.21 8 1 SER B 203 ? ? 59.70 -116.98 9 1 ASP B 306 ? ? -123.57 -86.09 10 1 VAL B 407 ? ? -126.97 -61.68 11 1 PRO B 492 ? ? -68.64 25.33 12 1 ARG B 493 ? ? -138.17 -35.08 13 1 ASP B 494 ? ? -62.23 81.36 # _pdbx_validate_peptide_omega.id 1 _pdbx_validate_peptide_omega.PDB_model_num 1 _pdbx_validate_peptide_omega.auth_comp_id_1 ARG _pdbx_validate_peptide_omega.auth_asym_id_1 B _pdbx_validate_peptide_omega.auth_seq_id_1 493 _pdbx_validate_peptide_omega.PDB_ins_code_1 ? _pdbx_validate_peptide_omega.label_alt_id_1 ? _pdbx_validate_peptide_omega.auth_comp_id_2 ASP _pdbx_validate_peptide_omega.auth_asym_id_2 B _pdbx_validate_peptide_omega.auth_seq_id_2 494 _pdbx_validate_peptide_omega.PDB_ins_code_2 ? _pdbx_validate_peptide_omega.label_alt_id_2 ? _pdbx_validate_peptide_omega.omega 147.05 # loop_ _pdbx_distant_solvent_atoms.id _pdbx_distant_solvent_atoms.PDB_model_num _pdbx_distant_solvent_atoms.auth_atom_id _pdbx_distant_solvent_atoms.label_alt_id _pdbx_distant_solvent_atoms.auth_asym_id _pdbx_distant_solvent_atoms.auth_comp_id _pdbx_distant_solvent_atoms.auth_seq_id _pdbx_distant_solvent_atoms.PDB_ins_code _pdbx_distant_solvent_atoms.neighbor_macromolecule_distance _pdbx_distant_solvent_atoms.neighbor_ligand_distance 1 1 O ? A HOH 1061 ? 6.03 . 2 1 O ? A HOH 1062 ? 6.13 . # 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 TYR 341 ? CG ? A TYR 341 CG 2 1 Y 1 A TYR 341 ? CD1 ? A TYR 341 CD1 3 1 Y 1 A TYR 341 ? CD2 ? A TYR 341 CD2 4 1 Y 1 A TYR 341 ? CE1 ? A TYR 341 CE1 5 1 Y 1 A TYR 341 ? CE2 ? A TYR 341 CE2 6 1 Y 1 A TYR 341 ? CZ ? A TYR 341 CZ 7 1 Y 1 A TYR 341 ? OH ? A TYR 341 OH 8 1 Y 1 A LYS 496 ? CG ? A LYS 496 CG 9 1 Y 1 A LYS 496 ? CD ? A LYS 496 CD 10 1 Y 1 A LYS 496 ? CE ? A LYS 496 CE 11 1 Y 1 A LYS 496 ? NZ ? A LYS 496 NZ 12 1 Y 1 A THR 543 ? OG1 ? A THR 543 OG1 13 1 Y 1 A THR 543 ? CG2 ? A THR 543 CG2 14 1 Y 1 B ARG 3 ? CG ? B ARG 3 CG 15 1 Y 1 B ARG 3 ? CD ? B ARG 3 CD 16 1 Y 1 B ARG 3 ? NE ? B ARG 3 NE 17 1 Y 1 B ARG 3 ? CZ ? B ARG 3 CZ 18 1 Y 1 B ARG 3 ? NH1 ? B ARG 3 NH1 19 1 Y 1 B ARG 3 ? NH2 ? B ARG 3 NH2 20 1 Y 1 B TYR 341 ? CG ? B TYR 341 CG 21 1 Y 1 B TYR 341 ? CD1 ? B TYR 341 CD1 22 1 Y 1 B TYR 341 ? CD2 ? B TYR 341 CD2 23 1 Y 1 B TYR 341 ? CE1 ? B TYR 341 CE1 24 1 Y 1 B TYR 341 ? CE2 ? B TYR 341 CE2 25 1 Y 1 B TYR 341 ? CZ ? B TYR 341 CZ 26 1 Y 1 B TYR 341 ? OH ? B TYR 341 OH 27 1 Y 1 B ARG 493 ? CG ? B ARG 493 CG 28 1 Y 1 B ARG 493 ? CD ? B ARG 493 CD 29 1 Y 1 B ARG 493 ? NE ? B ARG 493 NE 30 1 Y 1 B ARG 493 ? CZ ? B ARG 493 CZ 31 1 Y 1 B ARG 493 ? NH1 ? B ARG 493 NH1 32 1 Y 1 B ARG 493 ? NH2 ? B ARG 493 NH2 33 1 N 1 B 7PG 606 ? C15 ? O 7PG 1 C15 34 1 N 1 B 7PG 606 ? C16 ? O 7PG 1 C16 35 1 N 1 B 7PG 606 ? O8 ? O 7PG 1 O8 36 1 N 1 B 7PG 606 ? C17 ? O 7PG 1 C17 # 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 GLY 260 ? A GLY 260 2 1 Y 1 A GLY 261 ? A GLY 261 3 1 Y 1 A ALA 262 ? A ALA 262 4 1 Y 1 A GLY 263 ? A GLY 263 5 1 Y 1 A GLY 264 ? A GLY 264 6 1 Y 1 B GLU 1 ? B GLU 1 7 1 Y 1 B GLY 2 ? B GLY 2 8 1 Y 1 B PRO 259 ? B PRO 259 9 1 Y 1 B GLY 260 ? B GLY 260 10 1 Y 1 B GLY 261 ? B GLY 261 11 1 Y 1 B ALA 262 ? B ALA 262 12 1 Y 1 B GLY 263 ? B GLY 263 # loop_ _pdbx_entity_nonpoly.entity_id _pdbx_entity_nonpoly.name _pdbx_entity_nonpoly.comp_id 2 N-ACETYL-D-GLUCOSAMINE NAG 3 ALPHA-L-FUCOSE FUC 4 '~{N}-(2-azidoethyl)-1,2,3,4-tetrahydroacridin-9-amine' TZ2 5 'ACETATE ION' ACT 6 'TETRAETHYLENE GLYCOL' PG4 7 'CHLORIDE ION' CL 8 2,5,8,11,14,17,20,23-OCTAOXAPENTACOSAN-25-OL 7PG 9 water HOH #